# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-11T11:26:27+02:00
# Query:
# SELECT data.*
# FROM
# data
# WHERE
# (status is null or status != 'retracted') and
# (sg LIKE 'P 1 21 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000131","5.2584","0.0001","9.7298","0.0002","7.3701","0.0002","90","","90.875","0.001","90","","377","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Barium catena-pentafluoroaluminate - γ","","- Al Ba F5 -","- Al Ba F5 -","- Al4 Ba4 F20 -","4","2","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000140","9.0652","0.0003","7.1468","0.0002","5.47","0.0002","90","","98.782","0.001","90","","350.2","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Disodium calcium bis(hydrogenphosphate(V))","","- Ca H2 Na2 O8 P2 -","- Ca H2 Na2 O8 P2 -","- Ca2 H4 Na4 O16 P4 -","2","1","","Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A","Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","937","946","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000373","6.399","0.001","3.59","0.001","7.22","0.002","90","","110.29","0.01","90","","155.6","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F4 Na2 O4 V2 -","2","1","","Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Abrabri, M","Synthesis and crystal structure of Na V O2 F2","European Journal of Solid State Inorganic Chemistry","1994","31","","957","965","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001234","6.5656","0.0025","5.285","0.0015","20.573","0.015","90","","96.18","0.04","90","","709.7","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Phosphorus tungsten oxide (4/10/38)","","- O38 P4 W10 -","- O38 P4 W10 -","- O38 P4 W10 -","1","0.5","","Benmoussa, A; Labbe, P; Groult, D; Raveau, B","Mixed Valence Tungsten Oxides with a Tunnel Structure, P~4~ W~4n~ O~12n+8~: A Nonintegral Member P~4~ W~10~ O~38~ (n=2.5)","Journal of Solid State Chemistry","1982","44","","318","325","10.1016/0022-4596(82)90379-6","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001408","6.3847","0.0009","19.088","0.002","9.7366","0.0009","90","","107.05","0.01","90","","1134.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Tetrarubidium octamolybenum(V) dodecaphosphate oxide","","- Mo8 O52 P12 Rb4 -","- Mo8 O52 P12 Rb4 -","- Mo8 O52 P12 Rb4 -","1","0.5","","Riou, D; Goreaud, M","Rb~4~ Mo~8~ P~12~ O~52~, a Molybdenophosphate of the Cs~4~ Mo~8~ P~12~ O~52~ Type: Structure and Properties of Host Framework","Journal of Solid State Chemistry","1989","79","","99","106","10.1016/0022-4596(89)90254-5","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001451","4.8229","0.0002","8.0813","0.0005","6.9419","0.0006","90","","109.387","0.005","90","","255.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium iron(III) diphosphate","","- Fe Li O7 P2 -","- Fe Li O7 P2 -","- Fe2 Li2 O14 P4 -","2","1","","Riou, D; Nguyen, N; Benloucif, R; Raveau, B","LiFeP~2~O~7~: Structure and magnetic properties","Materials Research Bulletin","1990","25","","1363","1369","10.1016/0025-5408(90)90218-Q","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001468","6.5296","0.0004","8.4643","0.0007","7.1228","0.0006","90","","115.237","0.006","90","","356.1","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium vanadato(IV)phosphate","","- Na O5 P V -","- Na O5 P V -","- Na2 O10 P2 V2 -","2","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Synthesis and crystal structure of a new vanadium IV phosphate: NaVPO~5~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1992","314","","585","589","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001699","6.635","0.001","5.352","0.001","17.967","0.005","90","","90.33","","90","","638","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Tetrasodium tectooctaniobotetraphosphate(V)","","- Na4 Nb8 O32 P4 -","- Na4 Nb8 O32 P4 -","- Na4 Nb8 O32 P4 -","1","0.5","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Phosphate niobium bronzes and bronzoids with the MPTBP structure: Na4 Nb8 P4 O32 and Na4-x Ax Nb7 M P4 O32 fourth members of the series Ax (P O2)4 (Nb O3)2m","Materials Research Bulletin","1991","26","","1051","1057","10.1016/0025-5408(91)90088-4","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001767","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium molybdenum(III) diphosphate","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","Li Mo P2 O7","Acta Crystallographica C (39,1983-)","1996","52","","1593","1594","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004010","7.898","0.001","5.514","0.001","12.672","0.003","90","","103.69","0.02","90","","536.182","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,6-Hexanediammonium (μ~2~-fluoro)-tetrafluoroaluminate)","","- C6 H18 Al F5 N2 -","- C6 H18 Al2 F6 N2 -","- C12 H36 Al4 F12 N4 -","2","1","","S.P.Thanh; J.Renaudin; V.Maisonneuve","","Solid State Sciences","2000","2","","143","","10.1016/S1293-2558(00)00125-4","","","","","","","0.056","","","0.056","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006164","5.3499","0.0003","6.5949","0.0004","12.3939","0.0008","90","","98.594","0.005","90","","432.4","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Hafnium phosphate(V) dihydrogenphosphate(V) dihydrate","","- H6 Hf O10 P2 -","- H6 Hf O10 P2 -","- H12 Hf2 O20 P4 -","2","1","","Suarez, M; Barcina, L M; Llavona, R; Rodriguez, J; Salvado, M A; Pertierra, P; Garcia-Granda, S","Synthesis, crystal structure and intercalation behaviour of hafnium phosphate dihydrogenphosphate dihydrate","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1998","1998","","99","102","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008190","5.4537","","4.857","","8.1734","","90","","107.367","","90","","206.6","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium sulfate hydrate","","- H2 Li2 O5 S -","- H2 Li2 O5 S -","- H4 Li4 O10 S2 -","2","1","","Smith, H G; Peterson, S W; Levy, H A","Neutron-diffraction study of lithium sulfate monohydrate","Journal of Chemical Physics","1968","48","","5561","5565","10.1063/1.1668257","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008291","13.22","0.01","7.224","0.006","7.196","0.005","90","","92.08","","90","","686.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Trizinc dirubidium diphosphate","","- O14 P4 Rb2 Zn3 -","- O14 P4 Rb2 Zn3 -","- O28 P8 Rb4 Zn6 -","2","1","","Averbuch-Pouchot, M T","Crystal data on Zn~3~ Rb~2~ (P~2~ O~7~)~2~ and Co~3~ Rb~2~ (P~2~ O~7~)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1985","171","","113","119","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008658","11.896","0.009","12.663","0.007","8.079","0.008","90","","94.33","0.07","90","","1213.5","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Dizinc dicaesium cyclo-hexaphosphate octahydrate","","- Cs2 H16 O26 P6 Zn2 -","- Cs2 H16 O26 P6 Zn2 -","- Cs4 H32 O52 P12 Zn4 -","2","1","","Abid, S; Rzaigui, M; Averbuch-Pouchot, M T","Chemical preparation, structural investigation, and thermal behavior of a new cyclohexaphosphate: Zn~2~Cs~2~P~6~O~18~.8H~2~O","Journal of Solid State Chemistry","1994","110","","180","184","10.1006/jssc.1994.1154","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010246","5.43","","4.83","","8.14","","90","","107.58","","90","","203.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium sulfate hydrate","","- H2 Li2 O5 S -","- H2 Li2 O5 S -","- H4 Li4 O10 S2 -","2","1","","Ziegler, G E","The Crystal Structure of Lithium Sulphate Mono-Hydrate, Li~2~ S O~4~ (H~2~ O)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","456","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010803","10","","14.25","","8.62","","90","","54.33","","90","","997.9","","","","","","","","","","","","from the Collection of the Museum national d*Histoire naturelle de Paris","6","P 1 21 1","P 2yb","4","","Potassium calcium alumosilicate hydrate *","Phillipsite","- Al3 Ca H12 K O22 Si5 -","","","2","1","","Wyart, J; Chatelain, P","Etude cristallographique de la christianite","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1938","61","","121","126","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010917","8.15","","5.22","","6.58","","90","","106.3","","90","","268.7","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Calcium barium carbonate","Barytocalcite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C4 Ba2 Ca2 O12 -","2","1","","Gossner, B; Mussgnug, F","Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen Beziehungen zu anderen Stoffen","Zentralblatt fuer Mineralogie und Geologie, A","1930","1930","","321","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1011273","9.8","","14.1","","8.66","","90","","55.17","","90","","982.3","","","","","","","","","","","","from Strontian, Ecosse, from the Collection of the Museum na","5","P 1 21 1","P 2yb","4","","Barium alumosilicate hydrate *","Harmotome","- Al2 Ba H12 O22 Si6 -","","","2","1","","Sekanina, J; Wyart, J","Sur l'harmotome","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1937","60","","139","145","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011274","9.6","","11.4","","16.84","","90","","69","","90","","1720.6","","","","","","","","","","","","from Scawt Hill, Co. Antrim","4","P 1 21 1","P 2yb","4","","Tetracalcium dialuminium oxide dodecahydrate","Hydrocalumite","- Al2 Ca4 H24 O19 -","","","4","2","","Tilley, C E; Megaw, H D; Hey, M H","Hydrocalumite ((Ca O)4 (Al2 O3) (H2 O)12), a new mineral from Scawt Hill, Co. Antrim.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1934","23","","607","615","10.1180/minmag.1934.023.146.04","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100115","7.887","0.006","5.502","0.005","15.812","0.003","90","","112.03","0.04","90","","636.053","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,8-Octanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C8 H22 Al F5 N2 -","- C8 H22 Al F5 N2 -","- C16 H44 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","","","","","","","0.0755","","","0.0755","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100116","7.881","0.005","5.489","0.002","18.36","0.01","90","","112.21","0.06","90","","735.303","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,10-Decanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C10 H26 Al F5 N2 -","- C10 H26 Al F5 N2 -","- C20 H52 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","","","","","","","0.0892","","","0.0892","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100117","7.8713","0.0003","5.4739","0.0004","20.898","0.002","90","","112.422","0.003","90","","832.354","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,12-Dodecanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C12 H30 Al F5 N2 -","- C12 H30 Al F5 N2 -","- C24 H60 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100172","10.432","0.0003","5.645","0.0002","16.783","0.0002","90","","94.943","0.003","90","","984.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Phynylglycinium nitrate","D-Phenylglycinium nitrate","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C32 H40 N8 O20 -","4","2","","Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine","D-Phenylglycinium nitrate","Acta Crystallographica, Section E","2004","60","","o272","o274","10.1107/S1600536804000972","","","0.71073","MoKα","","0.0858","0.0563","","","0.116","0.1381","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100177","7.685","0.002","5.006","0.001","18.58","0.005","90","","97.94","0.02","90","","707.941","","","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,R)-1-Chloro-2-phenylethyl p-tolyl sulfoxide","","- C15 H15 Cl O S -","- C21 H22 Cl O S -","- C42 H44 Cl2 O2 S2 -","2","1","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","7","","","7","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00",""
"1100184","8.4889","0.0008","10.5945","0.0008","12.2789","0.0007","90","","93.793","0.006","90","","1101.89","","","","188","","","","","","","","","5","P 1 21 1","P 2yb","4","","Di-iodo-tris(dimethoxyethane)-europium","","- C12 H30 Eu I2 O6 -","- C12 H30 Eu I2 O6 -","- C24 H60 Eu2 I4 O12 -","2","1","","T.Grob; G.Seybert; W.Massa; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1361","","10.1002/(SICI)1521-3749(200006)626:6<1361::AID-ZAAC1361>3.0.CO;2-X","","","","","","","2.46","","","2.46","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100212","9.477","0.001","10.476","0.001","16.016","0.004","90","","105.96","0.01","90","","1528.79","","","","223","","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(Trimethylsilyl)aminotriphenylphosphonium triiodide","","- C24 H33 I3 N P Si2 -","- C24 H33 I3 N P Si2 -","- C48 H66 I6 N2 P2 Si4 -","2","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","3.34","","","3.34","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100231","9.1269","0.0005","24.8574","0.001","13.5416","0.0008","90","","102.491","0.005","90","","2999.48","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(μ~2~-Iodo)-tris(tris(trimethylsilyl)methyl)-tri-indium toluene solvate","","- C37 H89 I2 In3 Si9 -","- C37 H89 I2 In3 Si12 -","- C74 H178 I4 In6 Si24 -","2","1","","Uhl, Werner; Melle, Sandra; Geiseler, Gertraud; Harms, Klaus","In~3~I~2~[C(SiMe~3~)~3~]~3~: Synthesis of a Diiodotrialkyltriindane(5) Containing Two In‒In Single Bonds","Organometallics","2001","20","15","3355","3357","10.1021/om0102302","","","","","","","2.38","","","2.38","","","","","","","","","","","has coordinates","177960","2020-10-21","18:00:00",""
"1100242","9.56","0.005","18.546","0.007","9.671","0.003","90","","119","0.03","90","","1499.68","","","","213","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-2-benzylthiobutanamide","","- C17 H19 N S -","- C17.5 H22 N S -","- C70 H88 N4 S4 -","4","2","","Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus","Asymmetric Synthesis of a Chiral Secondary Grignard Reagent","Angewandte Chemie, International Edition","2000","39","17","3072","3074","10.1002/1521-3773(20000901)39:17<3072::AID-ANIE3072>3.0.CO;2-4","","","","","","","5.82","","","5.82","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100244","11.657","0.002","5.3217","0.0011","13.483","0.003","90","","107.81","0.02","90","","796.334","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,5R)-N-Methyl-2,5-dibenzyl-3-pyrrolidinol","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","6.44","","","6.44","","","","","","","","","","","has coordinates","177559","2020-10-21","18:00:00",""
"1100259","10.8874","0.0007","11.2061","0.0009","14.4504","0.0012","90","","108.246","0.007","90","","1674.38","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solvate","","- C16 H23 N3 O5 -","- C16.5 H23.5 N3 O5.5 -","- C66 H94 N12 O22 -","4","2","","Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas","Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors","Bioorganic & Medicinal Chemistry","2001","9","10","2683","2691","10.1016/s0968-0896(01)00188-2","","","","","","","5.62","","","5.62","","","","","","","","","","","has coordinates","178074","2020-10-21","18:00:00",""
"1100265","5.4024","0.0004","16.4819","0.0013","33.13","0.018","90","","91.4","0.02","90","","2949.07","","","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","(-)-(S,S)-1,3-bis(4-(4-Methylphenylsulfinyl)phenylamino)trimethinium bromide trihydrate","","- C29 H33 Br N2 O5 S2 -","- C29 H31 Br N2 O5 S2 -","- C116 H124 Br4 N8 O20 S8 -","4","2","","Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard","Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups","European Journal of Organic Chemistry","2002","2002","3","439","452","10.1002/1099-0690(20022)2002:3<439::AID-EJOC439>3.0.CO;2-B","","","","","","","4.78","","","4.78","","","","","","","","","","","has coordinates","176878","2020-10-21","18:00:00",""
"1100266","7.9433","0.0016","7.26","0.001","21.921","0.005","90","","92.11","0.03","90","","1263.29","","","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(S,S)-3-(4-(4-Methylphenylsulfinyl)phenylamino)propenal (4-(4-methylphenyl sulfinyl)phenylimine)","","- C29 H26 N2 O2 S2 -","- C29 H32 N2 O2 S2 -","- C58 H64 N4 O4 S4 -","2","1","","Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard","Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups","European Journal of Organic Chemistry","2002","2002","3","439","452","10.1002/1099-0690(20022)2002:3<439::AID-EJOC439>3.0.CO;2-B","","","","","","","5.67","","","5.67","","","","","","","","","","","has coordinates","176878","2020-10-21","18:00:00",""
"1100289","9.191","0.001","16.567","0.002","11.465","0.004","90","","101.93","0.02","90","","1708.04","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M.","Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds","Journal of the American Chemical Society","1987","109","3","921","923","10.1021/ja00237a060","","","","","","","","","","","","","","","","","","","","","has coordinates","177985","2020-10-21","18:00:00",""
"1100310","10.298","0.003","9.915","0.002","10.835","0.002","90","","114.62","0.04","90","","1005.73","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 O2 Se -","- C22 H28 O2 Se -","- C44 H56 O4 Se2 -","2","1","","Clegg, W.; Harms, K.; Sheldrick, G. M.; von Kiedrowski, G.; Tietze, L. F.","(2S,6aR,10aR)-6,6,9-Trimethyl-1-oxo-2-phenylseleno-1,2,3,4,6a,7,8,9,10,10a-decahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3159","3162","10.1107/S0567740880011144","","","","","","","","","","","","","","","","","","","","","has coordinates","176913","2020-10-21","18:00:00",""
"1100311","7.894","0.001","16.227","0.002","9.707","0.002","90","","101.01","","90","","1220.54","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 Li N2 O3 -","- C26 H37 Li N2 O3 -","- C52 H74 Li2 N4 O6 -","2","1","","Enders, Dieter; Bachstädter, Gerhard; Kremer, Kenneth A. M.; Marsch, Michael; Harms, Klaus; Boche, Gernot","Structure of a Chiral Lithium Azaenolate: Monomeric, Intramolecular Chelated Lithio-2-acetylnaphthalene-SAMP-hydrazone","Angewandte Chemie, International Edition in English","1988","27","11","1522","1524","10.1002/anie.198815221","","","","","","","","","","","","","","","","","","","","","has coordinates","176974","2020-10-21","18:00:00",""
"1100316","7.963","0.001","10.014","0.001","12.011","0.002","90","","109.22","0.006","90","","904.39","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 Si -","- C15 H25 O3 Si -","- C30 H50 O6 Si2 -","2","1","","Scheuplein, Stefan W.; Kusche, Andreas; Brückner, Reinhard; Harms, Klaus","Asymmetric Induction in the [2,3] Witting Rearrangement by Chiral Substituents in the Allyl Moiety: 1,3-Asymmetric Induction","Chemische Berichte","1990","123","4","917","925","10.1002/cber.19901230443","","","","","","","","","","","","","","","","","","","","","has coordinates","177563","2020-10-21","18:00:00",""
"1100340","7.345","0.001","14.108","0.001","7.785","0.001","90","","95.065","0.004","90","","803.56","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N2 Na O5 -","- C13 H21 N2 Na O5 -","- C26 H42 N4 Na2 O10 -","2","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","177568","2020-10-21","18:00:00",""
"1100359","9.216","0.01","17.667","0.01","10.98","0.02","90","","107.65","0.07","90","","1703.6","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 Li N3 O2 -","- C37 H52 Li N3 O2 -","- C74 H104 Li2 N6 O4 -","2","1","","Ledig, Burkhard; Marsch, Michael; Harms, Klaus; Boche, Gernot","Lithiodiphenylmethylisocyanide-(—)-sparteinebis(tetrahydrofuran): Crystal Structure of a Lithiated Isocyanide","Angewandte Chemie, International Edition in English","1992","31","1","79","80","10.1002/anie.199200791","","","","","","","","","","","","","","","","","","","","","has coordinates","177284","2020-10-21","18:00:00",""
"1100377","10.555","0.002","7.983","0.002","14.936","0.003","90","","109.12","0.03","90","","1189.09","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 Si -","- C25 H32 O4 Si -","- C50 H64 O8 Si2 -","2","1","","Koert, Ulrich; Stein, Matthias; Harms, Klaus","A Convergent Synthesis of 2,5-trans-Linked Oligo (tetrahydrofuran)s: Potential Building Blocks for a Polyether Helix with Ion Channel Activity","Angewandte Chemie, International Edition in English","1994","33","11","1180","1182","10.1002/anie.199411801","","","","","","","","","","","","","","","","","","","","","has coordinates","177013","2020-10-21","18:00:00",""
"1100400","11.394","","8.767","","13.998","","90","","110.08","","90","","1313.28","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N O4 -","- C11 H16 Cl N O8 -","- C44 H64 Cl4 N4 O32 -","4","2","","Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid","Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups","Liebigs Annalen","1995","1995","2","317","327","10.1002/jlac.199519950240","","","","","","","","","","","","","","","","","","","","","has coordinates","177964","2020-10-21","18:00:00",""
"1100401","5.429","","8.437","","27.388","","90","","94.35","","90","","1250.88","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Br N2 O -","- C27 H35 Br N2 O -","- C54 H70 Br2 N4 O2 -","2","1","","Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid","Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups","Liebigs Annalen","1995","1995","2","317","327","10.1002/jlac.199519950240","","","","","","","","","","","","","","","","","","","","","has coordinates","177964","2020-10-21","18:00:00",""
"1100417","9.838","0.001","8.374","0.001","11.279","0.001","90","","108.24","0.01","90","","882.51","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100439","8.967","0.002","12.842","0.001","15.1","0.003","90","","94.14","0.01","90","","1734.29","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O7 -","- C40 H42 O7 -","- C80 H84 O14 -","2","1","","Reichardt, Christian; Blum, Andreas; Harms, Klaus; Schäfer, Gerhard","Pyridinium N-Phenolate Betaine Dyes and Their Application to the Characterization of the Polarity of Solvents, XXII. Syntheses and UV/Vis Spectroscopic Properties of Solvatochromic, Halochromic, and Chiro-Solvatochromic Pyridinium N-Phenolate Betaine Dyes with Four Stereogenic Centers","Liebigs Annalen/Recueil","1997","1997","4","707","720","10.1002/jlac.199719970411","","","","","","","","","","","","","","","","","","","","","has coordinates","177969","2020-10-21","18:00:00",""
"1100440","7.462","0.001","11.673","0.002","8.775","0.002","90","","105.39","0.03","90","","736.93","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl N O3 -","- C13 H24 Cl N O3 -","- C26 H48 Cl2 N2 O6 -","2","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100456","6.397","0.001","7.769","0.002","15.411","0.004","90","","100.15","0.02","90","","753.91","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Harms, K.; Koert, U.; Wagner, H.","Crystal structure of (2S,5S,1'S)-5-hydroxymethyl-2-(1'-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C~14~H~21~NO~4~S","Zeitschrift für Kristallographie","1997","212","3","212","212","10.1524/zkri.1997.212.3.238","","","","","","","","","","","","","","","","","","","","","has coordinates","178096","2020-10-21","18:00:00",""
"1100461","6.82","0.001","6.494","0.001","12.471","0.002","90","","97.49","0.03","90","","547.62","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Bolm, Carsten; Müller, Peter; Harms, Klaus","Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes","Acta Chemica Scandinavica","1996","50","","305","315","10.3891/acta.chem.scand.50-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","178090","2020-10-21","18:00:00",""
"1100498","7.25","0.001","10.093","0.001","15.337","0.002","90","","100.21","0.01","90","","1104.5","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 F I2 N -","- C20 H22 F I2 N -","- C40 H44 F2 I4 N2 -","2","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100510","11.0247","0.0013","11.045","0.002","18.4469","0.002","90","","90.809","0.018","90","","2246.01","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H62 Br4 Cl2 Mn4 N4 P4 -","- C25 H62 Br4 Cl2 Mn4 N4 P4 -","- C50 H124 Br8 Cl4 Mn8 N8 P8 -","2","1","","Riese, Ulrike; Faza, Naim; Massa, Werner; Harms, Klaus; Breyhan, Thees; Knochel, Paul; Ensling, Jürgen; Ksenofontov, Vadim; Gütlich, Philipp; Dehnicke, Kurt","Phosphoraneiminato Complexes of Manganese and Cobalt with Heterocubane Structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1494","1499","10.1002/(sici)1521-3749(199909)625:9<1494::aid-zaac1494>3.0.co;2-u","","","","","","","","","","","","","","","","","","","","","has coordinates","176947","2020-10-21","18:00:00",""
"1100529","8.32","0.001","7.893","0.001","12.691","0.001","90","","91.07","0.01","90","","833.27","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100535","9.772","0.001","9.876","0.001","10.106","0.001","90","","117.06","0.01","90","","868.55","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","178052","2020-10-21","18:00:00",""
"1100548","11.4239","0.0009","10.9326","0.0009","15.5388","0.0015","90","","97.247","0.011","90","","1925.18","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H44 Cl4 N4 P4 Zn4 -","- C19 H44 Cl4 N4 P4 Zn4 -","- C38 H88 Cl8 N8 P8 Zn8 -","2","1","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100553","8.882","0.003","8.045","0.0012","8.9151","0.0016","90","","116.865","0.018","90","","568.28","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H21 N O3 -","- C10 H21 N O3 -","- C20 H42 N2 O6 -","2","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of Chiral N-Oxides from 2-Azabicyclo[3.3.0]octanes","European Journal of Organic Chemistry","1999","1999","5","1249","1252","10.1002/(sici)1099-0690(199905)1999:5<1249::aid-ejoc1249>3.0.co;2-p","","","","","","","","","","","","","","","","","","","","","has coordinates","177976","2020-10-21","18:00:00",""
"1100560","10.832","0.001","11.622","0.001","11.833","0.001","90","","96.88","0.01","90","","1478.92","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 O2 P2 -","- C36 H36 O2 P2 -","- C72 H72 O4 P4 -","2","1","","Demay, Stéphane; Harms, Klaus; Knochel, Paul","Stereoselective preparation of phosphine oxides via a 2,3-sigmatropic shift of allylic diphenylphosphinites","Tetrahedron Letters","1999","40","27","4981","4984","10.1016/s0040-4039(99)00952-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176944","2020-10-21","18:00:00",""
"1100565","10.3868","0.0008","10.7916","0.0007","15.6284","0.0013","90","","106.176","0.008","90","","1682.44","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 Br N O2 S -","- C17 H18 Br N O2 S -","- C68 H72 Br4 N4 O8 S4 -","4","2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100593","10.1842","0.0019","8.9716","0.0013","14.35","0.002","90","","96.139","0.009","90","","1303.62","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 B V2 -","- C33 H33 B V2 -","- C66 H66 B2 V4 -","2","1","","Elschenbroich, Christoph; Wolf, Matthias; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","The Mono-, Di-, and Tri([5]trovacenyl)boranes: A Study of Intermetallic Communication Across an sp^2^-Hybridized Boron Atom","European Journal of Inorganic Chemistry","1999","1999","12","2173","2185","10.1002/(sici)1099-0682(199912)1999:12<2173::aid-ejic2173>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177587","2020-10-21","18:00:00",""
"1100596","10.768","0.003","7.851","0.002","16.189","0.006","90","","97.53","0.03","90","","1356.81","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 V -","- C18 H16 V -","- C72 H64 V4 -","4","2","","Elschenbroich, Christoph; Schiemann, Olav; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","[5-5]Bitrovacene, (μ-η^5^:η^5^-Fulvalenediyl)bis[(η^7^-cycloheptatrienyl)vanadium]: Synthesis, Structure, and Intermetallic Communication","Organometallics","1999","18","17","3273","3277","10.1021/om9902232","","","","","","","","","","","","","","","","","","","","","has coordinates","176888","2020-10-21","18:00:00",""
"1100600","11.007","0.003","10.988","0.003","18.528","0.002","90","","90.57","0.02","90","","2240.8","0.9","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H62 Cd4 Cl6 N4 P4 -","- C25 H62 Cd4 Cl6 N4 P4 -","- C50 H124 Cd8 Cl12 N8 P8 -","2","1","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.71073","","","0.0582","0.0579","","0.1431","0.1429","","","","1.331","1.337","1.337","","","","","has coordinates","177996","2020-10-21","18:00:00",""
"1100647","7.623","0.001","9.913","0.001","9.624","0.001","90","","95.9","0.01","90","","723.4","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C24 H42 N2 O10 -","2","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","177980","2020-10-21","18:00:00",""
"1100648","8.6269","0.0007","9.251","0.002","9.789","0.001","90","","106.459","0.008","90","","749.22","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C24 H42 N2 O10 -","2","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","177980","2020-10-21","18:00:00",""
"1100668","7.6961","0.0003","14.6036","0.0005","10.4355","0.0005","90","","95.739","0.002","90","","1166.98","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 Cl F O5 -","- C25 H32 Cl F O5 -","- C50 H64 Cl2 F2 O10 -","2","1","","Haramura, Masayuki; Tanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Clobetasol Propionate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x37","x38","10.2116/analscix.19.x37","","","1.5419","CuKα","","","0.038","","","","0.091","","","","","","0.985","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100676","6.1468","0.0005","10.7412","0.0005","9.0572","0.0006","90","","103.665","0.003","90","","581.07","0.07","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 Br N -","- C11 H16 Br N -","- C22 H32 Br2 N2 -","2","1","","Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi","Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x53","x54","10.2116/analscix.19.x53","","","0.7107","MoKα","","","0.047","","","","0.052","","","","","","1.081","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100689","12.4629","0.001","6.1705","0.0005","15.5815","0.0013","90","","102.243","0.002","90","","1171","0.17","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione","","- C28 H31 F O4 -","- C28 H31 F O4 -","- C56 H62 F2 O8 -","2","1","","Soriano-García, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramírez, Elena; Cabeza, Marisa","Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x79","x80","10.2116/analscix.19.x79","","","0.71073","MoKα","","0.0812","0.0476","","","0.0794","0.0868","","","","","","0.911","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1100783","12.432","0.002","16.167","0.002","15.208","0.003","90","","105.025","0.004","90","","2952.1","0.8","153.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 Ag Cl2 N3 O2 -","- C28 H38 Ag Cl2 N3 O2 -","- C112 H152 Ag4 Cl8 N12 O8 -","4","2","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.047","","","","0.05","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100840","7.3561","0.0001","14.3852","0.0003","11.9104","0.0002","90","","90.843","0.0012","90","","1260.21","0.04","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 O P2 Ru -","- C20 H44 Cl2 O P2 Ru -","- C40 H88 Cl4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0327","0.0286","","","0.0727","0.0752","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100918","8.638","","13.833","","9.537","","90","","99.06","","90","","1125.35","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H25 Co N6 O4 -","- C38 H50 Co2 N12 O8 -","2","1","","Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo","Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III)","Journal of the American Chemical Society","1981","103","","5805","5812","10.1021/ja00409a031","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500008","12.8349","0.0009","18.7451","0.0013","16.002","0.0011","90","","109.23","0.001","90","","3635.1","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H112 Cl7 Co6 N24 O26 P5 -","- C24 H96 Cl7 Co6 N24 O26 P5 -","- C48 H192 Cl14 Co12 N48 O52 P10 -","2","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O","Inorganic Chemistry Communications","2006","9","","782","784","10.1016/j.inoche.2006.04.001","","","0.71073","MoKα","","0.0457","0.0406","","","0.095","0.0975","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501544","4.9653","0.0003","13.6703","0.0008","20.3533","0.0011","90","","95.949","0.003","90","","1374.08","0.14","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C33 H30 N2 O6 -","- C33 H30 N2 O6 -","- C66 H60 N4 O12 -","2","1","","Daniel J. St-Cyr; Thierry Maris; William D. Lubel","Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics","Heterocycles","2010","82","","729","737","10.3987/COM-10-S(E)52","","","1.54178","CuKα","","0.0663","0.0486","","","0.1071","0.1143","","","","","","1.067","","","","has coordinates","256943","2020-10-21","18:00:00",""
"1501545","14.1833","0.0003","6.0199","0.0001","14.6315","0.0003","90","","105.559","0.001","90","","1203.49","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Daniel J. St-Cyr; Thierry Maris; William D. Lubel","Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics","Heterocycles","2010","82","","729","737","10.3987/COM-10-S(E)52","","","1.54178","CuKα","","0.0477","0.0408","","","0.1027","0.1063","","","","","","1.055","","","","has coordinates,has disorder","256943","2020-10-21","18:00:00",""
"1501621","11.6772","0.0013","17.9809","0.0019","11.9334","0.0013","90","","116.183","0.006","90","","2248.5","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C48 H38 N8 O14 -","- C48 H38 N8 O14 -","- C96 H76 N16 O28 -","2","1","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0838","0.0567","","","0.1329","0.1442","","","","","","1.154","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501796","6.7198","0.0002","12.2064","0.0004","8.2198","0.0002","90","","107.746","0.001","90","","642.14","0.03","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava.","Journal of natural products","2011","74","2","169","174","10.1021/np100541a","","","0.71073","MoKα","","0.0273","0.0271","","","0.0739","0.074","","","","","","1.1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501798","11.916","0.002","6.673","0.0013","21.319","0.004","90","","90.46","0.03","90","","1695.1","0.5","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C18.75 H22.25 N O5 -","- C75 H89 N4 O20 -","4","2","","He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang","Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha.","Journal of natural products","2011","74","2","181","184","10.1021/np1005696","","","1.54178","CuKα","","0.0609","0.0551","","","0.161","0.1684","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501800","9.2997","0.0003","6.9294","0.0003","10.8143","0.0005","90","","112.279","0.002","90","","644.86","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","McNulty, James; Thorat, Amol; Vurgun, Nesrin; Nair, Jerald J.; Makaji, Emilija; Crankshaw, Denis J.; Holloway, Alison C.; Pandey, Siyaram","Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor.","Journal of natural products","2011","74","1","106","108","10.1021/np100657w","","","1.54178","CuKα","","0.0317","0.0309","","","0.0852","0.0859","","","","","","1.007","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501806","7.3433","0.0003","11.4642","0.0004","9.1189","0.0003","90","","107.807","0.002","90","","730.9","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C34 H36 O10 -","2","1","","Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng","Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity.","Journal of natural products","2011","74","12","2489","2496","10.1021/np100874f","","","0.71073","MoKα","","0.026","0.0254","","","0.0633","0.0637","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501807","7.2182","0.0002","8.5374","0.0003","12.1649","0.0004","90","","99.722","0.002","90","","738.89","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cbz-dolamethylleuine","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","1.54178","CuKα","","0.0877","0.0597","","","0.1574","0.2262","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501808","10.844","0.005","16.113","0.005","16.05","0.005","90","0.005","104.062","0.005","90","0.005","2720.4","1.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dolastatin-16","","","- C49 H79 N7 O13 -","- C49 H73 N7 O13 -","- C98 H146 N14 O26 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","1.54178","CuKα","","0.051","0.0429","","","0.1144","0.1485","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501809","7.9918","0.0005","6.385","0.0005","13.4458","0.0011","90","","103.181","0.001","90","","668.03","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","?'TFA-dolaphenvaline'","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C26 H28 F6 N2 O6 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","0.71073","MoKα","","0.0289","0.0284","","","0.0721","0.0726","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501810","5.8825","0.0001","8.9553","0.0002","14.6363","0.00015","90","","100.671","0.001","90","","757.7","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Huang, Hongbo; Feng, Xiaojun; Xiao, Ze'en; Liu, Lan; Li, Hanxiang; Ma, Lin; Lu, Yongjun; Ju, Jianhua; She, Zhigang; Lin, Yongcheng","Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea.","Journal of natural products","2011","74","5","997","1002","10.1021/np100889v","","","1.5418","CuKα","","0.0344","0.0308","","","0.0744","0.0772","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501812","12.1972","0.001","8.9304","0.0005","18.0154","0.0014","90","","90.176","0.005","90","","1962.3","0.2","90","0.5","90","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","2","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.0282","0.0279","","","0.0742","0.0747","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501816","10.3372","0.0003","16.3424","0.0003","13.1251","0.0004","90","","93.2976","0.0012","90","","2213.61","0.1","150","","150","","","","","","","","Maytenus mekongensis","4","P 1 21 1","P 2yb","4","7-epi-mekongensine","","","- C45 H51 N O20 -","- C45 H51 N O20 -","- C90 H102 N2 O40 -","2","1","","Lhinhatrakool, Thitima; Prabpai, Samran; Kongsaeree, Palangpon; Sutthivaiyakit, Somyote","Antiplasmodial sesquiterpene alkaloids from the roots of Maytenus mekongensis.","Journal of natural products","2011","74","6","1386","1391","10.1021/np200014k","","x-ray","0.71073","MoKα","","0.0898","0.0604","","","0.1419","0.1584","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501818","13.846","0.004","6.1634","0.0017","15.497","0.004","90","","105.886","0.015","90","","1272","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O5 -","- C29 H42 O5 -","- C58 H84 O10 -","2","1","","Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng","Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala.","Journal of natural products","2011","74","5","1132","1141","10.1021/np2000705","","","0.71073","MoKα","","0.0301","0.0285","","","0.0692","0.0725","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501820","9.84","0.005","18.655","0.007","10.168","0.005","90","","101.518","0.016","90","","1828.9","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O14 -","- C39.45 H41.7 O13.35 -","- C78.9 H83.4 O26.7 -","2","1","","Fang, Ping-Lei; Cao, Ying-Li; Yan, Huan; Pan, Li-Li; Liu, Shu-Cong; Gong, Ning-Bo; Lü, Yang; Chen, Chang-Xiang; Zhong, Hui-Min; Guo, Ying; Liu, Hai-Yang","Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus.","Journal of natural products","2011","74","6","1408","1413","10.1021/np200087d","","","1.54187","CuKα","","0.07","0.0673","","","0.1852","0.1909","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1501824","10.5854","0.0007","7.81311","0.00015","10.6146","0.0008","90","","98.851","0.007","90","","867.43","0.09","93.1","","93.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0509","","","","0.1374","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501826","8.738","0.0001","12.2728","0.0001","14.3159","0.0001","90","","97.163","0.001","90","","1523.25","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","2","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0312","0.0293","","","0.0736","0.0751","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501828","7.726","0.013","6.353","0.01","23.42","0.04","90","","93.2","0.02","90","","1148","3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H33 O7 -","- C22 H33 O7 -","- C44 H66 O14 -","2","1","","Wei, Lu-Xia; Zhang, Hui-Xiang; Tan, Jian-Lin; Chu, Yan-Sheng; Li, Nan; Xue, Hua-Xi; Wang, Yan-Li; Niu, Xue-Mei; Zhang, Ying; Zhang, Ke-Qin","Arthrobotrisins A-C, oligosporons from the nematode-trapping fungus Arthrobotrys oligospora.","Journal of natural products","2011","74","6","1526","1530","10.1021/np200187z","","","0.71073","MoKα","","0.15","0.0714","","","0.1497","0.1917","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501835","7.2659","0.0005","14.0034","0.0009","13.9617","0.0009","90","","97.446","0.002","90","","1408.59","0.16","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)cereotrypethelone","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","2","","Elsebai, Mahmoud Fahmi; Natesan, Lavanya; Kehraus, Stefan; Mohamed, Ietidal E.; Schnakenburg, Gregor; Sasse, Florenz; Shaaban, Saad; Gütschow, Michael; König, Gabriele M","HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale.","Journal of natural products","2011","74","10","2282","2285","10.1021/np2004227","","","0.71073","MoKα","","0.0479","0.0399","","","0.1045","0.1102","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501845","7.5","0.007","17.596","0.016","10.344","0.009","90","","98.773","0.009","90","","1349","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.0573","0.0434","","","0.1014","0.1095","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501852","8.9091","0.0006","4.86","0.0003","17.9948","0.0012","90","","100.636","0.001","90","","765.76","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C36 H32 N8 O4 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.044","0.0421","","","0.1165","0.1182","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501854","12.632","0.003","9.666","0.002","12.804","0.003","90","","116.024","0.007","90","","1404.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ABIV-284","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","2","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0261","0.0258","","","0.064","0.0642","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501856","7.1397","0.0001","6.5723","0.0001","21.7434","0.0004","90","","98.501","0.001","90","","1009.08","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C42 H44 Fe2 O12 S2 -","2","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0288","0.0277","","","0.0657","0.0661","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501867","6.124","0.003","14.952","0.008","12.56","0.009","90","","91.07","0.02","90","","1149.9","1.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 F6 O2 S -","- C23 H18 F6 O2 S -","- C46 H36 F12 O4 S2 -","2","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.093","0.0756","","","0.2088","0.2274","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501868","6.297","0.0013","19.655","0.004","8.8472","0.0018","90","","91.87","0.03","90","","1094.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","","Wang, Lin; Xi, Yumeng; Yang, Shouliang; Zhu, Rong; Liang, Yufan; Chen, Jiahua; Yang, Zhen","Asymmetric total synthesis and structural elucidation of NFAT-68.","Organic letters","2011","13","1","74","77","10.1021/ol102574d","","","0.71073","MoKα","","0.2115","0.0592","","","0.0652","0.085","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501869","7.4253","0.0015","6.7697","0.0014","16.333","0.003","90","","102.13","0.03","90","","802.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0496","0.0371","","","0.0875","0.0955","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501871","11.193","0.009","10.374","0.008","13.163","0.01","90","","106.797","0.007","90","","1463","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H47 O6 -","- C28 H47 O6 -","- C56 H94 O12 -","2","1","","Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong","Total synthesis of (-)-Przewalskin B.","Organic letters","2011","13","2","173","175","10.1021/ol102593r","","","0.71073","MoKα","","0.1091","0.0746","","","0.1964","0.2242","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501872","8.6429","0.0012","27.752","0.004","9.2865","0.0014","90","","107.44","0.004","90","","2125","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C100 H80 Cl4 N4 O16 -","4","2","","Zhong, Fangrui; Chen, Guo-Ying; Lu, Yixin","Enantioselective Morita-Baylis-Hillman reaction of isatins with acrylates: facile creation of 3-hydroxy-2-oxindoles.","Organic letters","2011","13","1","82","85","10.1021/ol102597s","","","0.71073","MoKα","","0.071","0.0592","","","0.131","0.1392","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501907","6.0676","0.0002","10.7264","0.0004","7.8745","0.0003","90","","104.958","0.002","90","","495.13","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N -","- C9 H18 Cl N -","- C18 H36 Cl2 N2 -","2","1","","Faraldos, Juan A.; Kariuki, Benson M.; Coates, Robert M.","2-azapinanes: aza analogues of the enantiomeric pinyl carbocation intermediates in pinene biosynthesis.","Organic letters","2011","13","5","836","839","10.1021/ol1027893","","","0.71073","MoKα","","0.0458","0.0387","","","0.0791","0.0836","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501912","8.1646","0.0003","5.2885","0.0002","16.1885","0.0006","90","","99.21","0.001","90","","689.98","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C34 H26 Cl2 O4 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0239","0.0234","","","0.0632","0.0637","","","","","","1.078","","","","has coordinates","210332","2020-10-21","18:00:00",""
"1501917","7.7205","0.0015","14.032","0.003","9.5919","0.0019","90","","104.39","0.03","90","","1006.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming","Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization.","Organic letters","2011","13","4","600","603","10.1021/ol1028282","","","1.54178","CuKα","","0.0501","0.0428","","","0.1003","0.1063","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501920","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine A.","Organic letters","2011","13","3","502","505","10.1021/ol102848w","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501932","7.6713","0.0004","10.9248","0.0004","11.8599","0.0005","90","","99.368","0.003","90","","980.69","0.08","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","1","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.0542","0.0455","","","0.1083","0.1206","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501933","8.3787","0.0017","10.986","0.002","20.823","0.004","90","","94.556","0.007","90","","1910.7","0.6","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 S2 -","- C19 H24 O5 S2 -","- C76 H96 O20 S8 -","4","2","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.2896","0.0905","","","0.1734","0.2884","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501942","9.4752","0.0003","7.9303","0.0003","12.82","0.0005","90","","102.782","0.001","90","","939.44","0.06","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Liu, Guixia; Zhang, Shilei; Li, Hao; Zhang, Tangzhi; Wang, Wei","Organocatalytic enantioselective Friedel-crafts reactions of 1-naphthols with aldimines.","Organic letters","2011","13","5","828","831","10.1021/ol102987n","","","0.71073","MoKα","","0.0397","0.0359","","","0.0947","0.0981","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501954","11.5628","0.001","8.5095","0.0007","18.608","0.0016","90","","91.064","0.002","90","","1830.6","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","2","","Hong, Bor-Cherng; Nimje, Roshan Y.; Lin, Cheng-Wei; Liao, Ju-Hsiou","Enantioselective organocatalytic Michael-Wittig-Michael-Michael reaction: dichotomous construction of pentasubstituted cyclopentanecarbaldehydes and pentasubstituted cyclohexanecarbaldehydes.","Organic letters","2011","13","6","1278","1281","10.1021/ol1030487","","","0.71073","MoKα","","0.0927","0.0699","","","0.1334","0.1439","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501965","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Notte, Gregory T.; Baxter Vu, Jenny M.; Leighton, James L.","Highly enantioselective Mannich reactions with α-aryl silyl ketene acetals and imines.","Organic letters","2011","13","4","816","818","10.1021/ol103096u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501967","13.1938","0.0007","6.3948","0.0003","13.5567","0.0007","90","","110.214","0.004","90","","1073.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 -","- C26 H28 N O2 -","- C52 H56 N2 O4 -","2","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.0602","0.0521","","","0.1453","0.151","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501973","8.8643","0.0009","11.8667","0.0012","10.0142","0.0011","90","","107.486","0.002","90","","1004.72","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 O6 -","- C20 H21 Br N2 O6 -","- C40 H42 Br2 N4 O12 -","2","1","","Wang, Xu-Fan; An, Jing; Zhang, Xiao-Xiao; Tan, Fen; Chen, Jia-Rong; Xiao, Wen-Jing","Catalytic asymmetric aza-Michael-Michael addition cascade: enantioselective synthesis of polysubstituted 4-aminobenzopyrans.","Organic letters","2011","13","4","808","811","10.1021/ol1031188","","","0.71073","MoKα","","0.0581","0.0492","","","0.1131","0.1165","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501977","7.894","0.0009","5.7394","0.0006","13.2234","0.0014","90","","99.583","0.002","90","","590.75","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C24 H32 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0234","0.0231","","","0.0612","0.0615","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501978","6.8959","0.0012","9.5822","0.0016","10.2161","0.0017","90","","107.309","0.002","90","","644.49","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C24 H30 Cl2 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0256","0.0252","","","0.0689","0.0695","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501985","13.776","0.002","8.3633","0.0013","18.579","0.003","90","","96.626","0.002","90","","2126.2","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","2","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0533","0.0518","","","0.1472","0.1495","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501990","12.6085","0.0017","5.7821","0.0008","15.108","0.002","90","","112.947","0.003","90","","1014.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10.5 Br0.5 N O2 -","- C10 H10.5 Br0.5 N O2 -","- C40 H42 Br2 N4 O8 -","4","2","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1166","0.0713","","","0.1695","0.2014","","","","","","1.064","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502029","8.096","0.004","6.072","0.003","14.533","0.007","90","","98.522","0.007","90","","706.5","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Hara, Noriyuki; Tamura, Ryota; Funahashi, Yasuhiro; Nakamura, Shuichi","N-(heteroarenesulfonyl)prolinamides-catalyzed aldol reaction between acetone and aryl trihalomethyl ketones.","Organic letters","2011","13","7","1662","1665","10.1021/ol2001039","","","0.7107","MoKα","","","0.0338","","","","0.0632","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502030","7.1137","0.0012","32.608","0.005","7.7093","0.0013","90","","94.914","0.003","90","","1781.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N O3.5 -","- C19 H26 N O3.5 -","- C76 H104 N4 O14 -","4","2","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0574","0.04","","","0.0874","0.0931","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502031","7.7687","0.0003","6.0916","0.0002","14.9497","0.0006","90","","98.117","0.004","90","","700.39","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N O4 -","- C13 H20 N O4 -","- C26 H40 N2 O8 -","2","1","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0743","0.0693","","","0.206","0.2115","","","","","","1.12","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502058","5.4753","0.0011","22.659","0.005","13.406","0.003","90","","96.93","0.03","90","","1651.1","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","IB1","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Yin, Xiaodong; Li, Yongjun; Zhu, Yulan; Kan, Yuhe; Li, Yuliang; Zhu, Daoben","Synthesis of a pentalene centered polycyclic fused system.","Organic letters","2011","13","6","1520","1523","10.1021/ol200213h","","","0.71073","MoKα","","0.055","0.0503","","","0.1148","0.1188","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502077","5.5539","0.001","9.0119","0.0017","14.952","0.003","90","","98.46","0.004","90","","740.2","0.2","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Troyer, Timothy L.; Muchalski, Hubert; Hong, Ki Bum; Johnston, Jeffrey N.","Origins of selectivity in Brønsted acid-promoted diazoalkane-azomethine reactions (the aza-Darzens aziridine synthesis).","Organic letters","2011","13","7","1790","1792","10.1021/ol200313m","","","0.71073","MoKα","","0.0689","0.0508","","","0.1235","0.1354","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502082","10.065","0.003","5.1868","0.0014","18.275","0.005","90","","98.279","0.003","90","","944.1","0.5","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br F2 N O2 -","- C22 H16 Br F2 N O2 -","- C44 H32 Br2 F4 N2 O4 -","2","1","","Kashikura, Wataru; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective synthesis of β-amino-α,α-difluoro carbonyl compounds.","Organic letters","2011","13","7","1860","1863","10.1021/ol200374m","","","0.71073","MoKα","","0.0656","0.0464","","","0.0978","0.1053","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502118","11.1147","0.0006","6.7725","0.0003","14.8896","0.0011","90","","108.29","0.004","90","","1064.18","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 N O S Si -","- C22 H25 N O S Si -","- C44 H50 N2 O2 S2 Si2 -","2","1","","Vyas, Devendra J.; Fröhlich, Roland; Oestreich, Martin","Activation of the Si-B linkage: copper-catalyzed addition of nucleophilic silicon to imines.","Organic letters","2011","13","8","2094","2097","10.1021/ol200509c","","","1.54178","CuKα","","0.0449","0.0412","","","0.0982","0.1016","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502156","5.0952","0.0003","9.0989","0.0006","15.5967","0.001","90","","94.019","0.001","90","","721.3","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C34 H32 Cl2 N2 O2 -","2","1","","Klauber, Eric G.; Mittal, Nisha; Shah, Tejas K.; Seidel, Daniel","A dual-catalysis/anion-binding approach to the kinetic resolution of allylic amines.","Organic letters","2011","13","9","2464","2467","10.1021/ol200712b","","","0.71073","MoKα","","0.0374","0.0359","","","0.0889","0.0899","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502166","14.0325","0.0015","10.2155","0.0011","26.161","0.003","90","","102.382","0.001","90","","3662.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 N2 O2.5 Pd -","- C39.5 H57 N2 O2.5 Pd -","- C158 H228 N8 O10 Pd4 -","4","2","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0339","0.0306","","","0.0673","0.0696","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502178","11.481","0.004","15.622","0.006","12.848","0.005","90","","92.794","0.006","90","","2301.6","1.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H31 O10.5 -","- C23 H31 O10.5 -","- C92 H124 O42 -","4","2","","Li, Jian; Li, Li; Si, Yikang; Jiang, Xuejun; Guo, Liangdong; Che, Yongsheng","Virgatolides A‒C, Benzannulated Spiroketals from the Plant Endophytic Fungus Pestalotiopsis virgatula","Organic letters","2011","13","10","2670","2673","10.1021/ol200770k","","","0.71073","MoKα","","0.0539","0.0469","","","0.1051","0.1081","","","","","","1.081","","","","has coordinates","210328","2020-10-21","18:00:00",""
"1502188","6.423","0.0004","7.4429","0.0005","17.9557","0.0012","90","","90.051","0.006","90","","858.39","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0516","0.0407","","","0.0894","0.0921","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502201","8.6606","0.0004","7.5271","0.0004","11.6989","0.0005","90","","109.834","0.003","90","","717.4","0.06","93.1","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C26 H38 N2 O12 -","2","1","","Satoh, Nobuhiro; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-salinosporamide A.","Organic letters","2011","13","12","3028","3031","10.1021/ol200886j","","","1.54187","CuKα","","","0.0537","","","","0.1617","","","","","","1.117","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502205","5.004","0.0001","20.1705","0.0004","15.9818","0.0003","90","","96.053","0.002","90","","1604.1","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","2","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0513","0.0397","","","0.0806","0.0857","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502207","10.509","","13.97","","10.942","","90","","103","","90","","1565.23","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","2","","Sanchez Duque, Maria del Mar; Baslé, Olivier; Isambert, Nicolas; Gaudel-Siri, Anouk; Génisson, Yves; Plaquevent, Jean-Christophe; Rodriguez, Jean; Constantieux, Thierry","A Cooperative Participation of the Amido Group in the Organocatalytic Construction of All-Carbon Quaternary Stereocenters by Michael Addition with β-Ketoamides","Organic Letters","2011","13","13","3296","3299","10.1021/ol200924e","","x-ray","0.71073","MoKα","","0.1217","0.08","","","0.1992","0.2363","","","","","","1.055","","","","has coordinates","210329","2020-10-21","18:00:00",""
"1502212","12.322","0.002","10.019","0.002","15.678","0.003","90","","112.203","0.003","90","","1792","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","2","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.12","0.0609","","","0.1431","0.1626","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502214","8.7187","0.0002","10.0275","0.0002","12.7718","0.0003","90","","103.938","0.002","90","","1083.72","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C42 H54 N2 O14 -","2","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","1.54178","CuKα","","0.0561","0.0473","","","0.1449","0.16","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502231","10.7041","0.0002","6.703","0.0002","13.9287","0.0003","90","","92.639","0.002","90","","998.32","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Fe O7 Si -","- C17 H24 Fe O7 Si -","- C34 H48 Fe2 O14 Si2 -","2","1","","Palframan, Matthew J.; Kociok-Köhn, Gabriele; Lewis, Simon E.","Total synthesis of (+)-grandifloracin by iron complexation of a microbial arene oxidation product.","Organic letters","2011","13","12","3150","3153","10.1021/ol201057r","","","0.71073","MoKα","","0.0345","0.0272","","","0.0576","0.0603","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502249","5.03","0.002","8.843","0.004","11.54","0.005","90","","95.42","0.008","90","","511","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 N O -","- C10 H19 N O -","- C20 H38 N2 O2 -","2","1","","Song, Liyan; Liu, Kun; Li, Chaozhong","Efficient and regioselective 9-endo cyclization of α-carbamoyl radicals.","Organic letters","2011","13","13","3434","3437","10.1021/ol201180g","","","0.71073","MoKα","","0.0739","0.0703","","","0.1626","0.1644","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502250","8.9146","0.0001","8.5388","0.0002","10.1252","0.0002","90","","106.47","0.001","90","","739.11","0.02","180","2","180","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Stambuli1810","","","- C13 H26 O5 -","- C13 H26 O5 -","- C26 H52 O10 -","2","1","","Chellat, Mathieu F.; Proust, Nicolas; Lauer, Matthew G.; Stambuli, James P.","Synthesis of key fragments of leiodelide A.","Organic letters","2011","13","12","3246","3249","10.1021/ol201183f","","x-ray","0.71073","MoKα","","0.0443","0.0358","","","0.082","0.0865","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502251","10.3475","0.0007","26.926","0.0015","11.5981","0.0006","90","","107.361","0.006","90","","3084.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52 B F4 O10 P2 Rh -","- C54 H52 B F4 O10 P2 Rh -","- C108 H104 B2 F8 O20 P4 Rh2 -","2","1","","Leseurre, Lucie; d'Herouville, Florent Le Boucher; Püntener, Kurt; Scalone, Michelangelo; Genêt, Jean-Pierre; Michelet, Véronique","Efficient route to atropisomeric ligands‒application to the synthesis of MeOBIPHEP analogues.","Organic letters","2011","13","12","3250","3253","10.1021/ol2011874","","","0.7107","MoKα","","0.0761","0.0637","","","0.1757","0.1831","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502257","7.8508","0.0003","6.932","0.0003","10.6342","0.0004","90","","90.905","0.003","90","","578.66","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Peed, Jennifer; Domínguez, Ignacio Periñán; Davies, Iwan R.; Cheeseman, Matt; Taylor, James E.; Kociok-Köhn, Gabriele; Bull, Steven D.","Asymmetric synthesis of chiral δ-lactones containing multiple contiguous stereocenters.","Organic letters","2011","13","14","3592","3595","10.1021/ol2012023","","","0.71073","MoKα","","0.0516","0.0392","","","0.0911","0.0975","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502272","10.1633","0.0002","9.93","0.0002","12.1706","0.0003","90","","96.277","0.001","90","","1220.91","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N5 O3 -","- C23 H41 N5 O3 -","- C46 H82 N10 O6 -","2","1","","Medda, Amiya K.; Park, Chul Min; Jeon, Aram; Kim, Hyunwoo; Sohn, Jeong-Hun; Lee, Hee-Seung","A nonpeptidic reverse-turn scaffold stabilized by urea-based dual intramolecular hydrogen bonding.","Organic letters","2011","13","13","3486","3489","10.1021/ol201247x","","","0.71073","MoKα","","0.0417","0.0357","","","0.086","0.0904","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502282","9.144","0.0018","8.9795","0.0018","11.155","0.002","90","","91.71","0.03","90","","915.5","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N0 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","Yang, Haishen; Gao, Yuzhe; Qiao, Xiaoxiao; Xie, Longguan; Xu, Xiaohua","Concise total synthesis of (-)-8-epigrosheimin.","Organic letters","2011","13","14","3670","3673","10.1021/ol201322w","","","0.71073","MoKα","","0.0393","0.0328","","","0.0784","0.081","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502285","10.376","0.003","7.525","0.002","11.906","0.004","90","","98.198","0.005","90","","920.1","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","Chinnar","","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","","Kurhade, Suresh E.; Sanchawala, Abbas I.; Ravikumar, Velayutham; Bhuniya, Debnath; Reddy, D. Srinivasa","Total synthesis of isofregenedadiol.","Organic letters","2011","13","14","3690","3693","10.1021/ol201336x","","","0.71073","MoKα","","0.0845","0.0537","","","0.1286","0.1434","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502293","5.1581","0.0012","9.443","0.002","12.776","0.003","90","","94.844","0.016","90","","620.1","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Lin, Lili; Kuang, Yulong; Liu, Xiaohua; Feng, Xiaoming","Indium(III)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard-type diene with aliphatic aldehydes.","Organic letters","2011","13","15","3868","3871","10.1021/ol2013999","","","1.54186","CuKα","","0.1002","0.0668","","","0.1051","0.125","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502297","9.892","0.002","11.591","0.002","14.767","0.003","90","","98.618","0.005","90","","1674","0.6","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H39 Cl N2 O3 S -","- C37 H33 Cl N2 O2 S -","- C74 H66 Cl2 N4 O4 S2 -","2","1","","Jung, Hyung Hoon; Buesking, Andrew W.; Ellman, Jonathan A.","Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines.","Organic letters","2011","13","15","3912","3915","10.1021/ol201438k","","","0.71075","MoKα","","0.1223","0.0738","","","0.1314","0.1479","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502298","9.7813","0.0005","7.8382","0.0004","18.103","0.001","90","","90.163","0.004","90","","1387.91","0.13","90","0.3","90","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N10 O13 -","- C23 H26 N10 O13 -","- C46 H52 N20 O26 -","2","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0656","0.0555","","","0.1382","0.145","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502312","7.0411","0.0005","8.8042","0.0005","13.9063","0.0009","90","","92.013","0.004","90","","861.54","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Söderman, Stefan C; Schwan, Adrian L.","The diastereoselective alkylation of arenesulfenate anions using homochiral electrophiles.","Organic letters","2011","13","16","4192","4195","10.1021/ol201508e","","","0.71073","MoKα","","0.081","0.0544","","","0.1233","0.139","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502317","13.8192","0.0006","5.693","0.0002","14.7334","0.0006","90","","116.69","0.001","90","","1035.61","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.0235","0.0234","","","0.0609","0.0611","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502324","13.505","0.003","6.1813","0.0011","15.804","0.003","90","","93.51","0.004","90","","1316.8","0.5","108","2","108","2","","","","","","","","5","P 1 21 1","P 2yb","4","l-8a.p-Br-benzoic acid 1:0.25 clathrate","","","- C25.75 H23 Br0.25 N2 O5.5 -","- C25.75 H23 Br0.25 N2 O5.5 -","- C51.5 H46 Br0.5 N4 O11 -","2","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","0.56089","AgKα","","0.1179","0.0971","","","0.2565","0.2759","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502327","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Vu, Jenny M Baxter; Leighton, James L.","A new synthesis of pyrrolidines by way of an enantioselective Mannich/diastereoselective hydroamination reaction sequence.","Organic letters","2011","13","15","4056","4059","10.1021/ol201566u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502332","8.1397","0.0008","32.018","0.003","9.9603","0.0011","90","","97.59","0.007","90","","2573.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","1.54186","CuKα","","0.0649","0.0579","","","0.1397","0.1469","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502333","7.5028","0.0004","5.9354","0.0003","25.0935","0.0014","90","","90.569","0.004","90","","1117.41","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O6 S -","- C23 H30 N2 O6 S -","- C46 H60 N4 O12 S2 -","2","1","","Peña-López, Miguel; Martínez, M. Montserrat; Sarandeses, Luis A.; Sestelo, José Pérez","A Versatile Enantioselective Synthesis of Barrenazines","Organic Letters","2011","13","15","4151","","10.1021/ol201592g","","","0.71073","MoKα","","0.0604","0.0504","","","0.1137","0.1205","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502339","9.314","0.005","12.85","0.005","9.334","0.005","90","0.005","95.772","0.005","90","0.005","1111.5","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C52 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0651","0.0526","","","0.1086","0.1405","","","","","","1.138","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502348","9.9752","0.0002","10.52392","0.00016","11.2107","0.0002","90","","116.107","0.003","90","","1056.81","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 S -","- C24 H32 O4 S -","- C48 H64 O8 S2 -","2","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","0.71073","MoKα","","0.0319","0.0289","","","0.071","0.0718","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502372","11.6527","0.0018","9.7093","0.0015","12.4847","0.0019","90","","110.86","0.003","90","","1319.9","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 N O2 S2 -","- C29 H29 N O2 S2 -","- C58 H58 N2 O4 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.0366","0.0332","","","0.0881","0.0921","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502373","9.403","0.003","10.746","0.003","14.25","0.005","90","","98.438","0.006","90","","1424.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C60 H56 N4 O10 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.1815","0.048","","","0.0689","0.0944","","","","","","0.793","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502385","13.347","0.004","5.152","0.0015","19.349","0.006","90","","97.644","0.004","90","","1318.7","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0522","0.0477","","","0.0981","0.1006","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502386","12.634","0.003","8.8253","0.0018","14.418","0.003","90","","115.1","0.03","90","","1455.8","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N O6 -","- C32 H39 N O6 -","- C64 H78 N2 O12 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0484","0.0422","","","0.1231","0.1346","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502392","11.0839","0.0002","7.5405","0.0001","12.2852","0.0002","90","","106.18","0.001","90","","986.1","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Morris, Erin N.; Nenninger, E. Katherine; Pike, Robert D.; Scheerer, Jonathan R.","Diels-Alder cycloaddition of chiral nonracemic 2,5-diketopiperazine dienes.","Organic letters","2011","13","16","4430","4433","10.1021/ol201768f","","","1.54178","CuKα","","0.0249","0.0247","","","0.062","0.0621","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502394","9.412","0.003","9.97","0.004","13.453","0.005","90","","93.383","0.005","90","","1260.2","0.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O7 -","- C27 H23 Br N2 O7 -","- C54 H46 Br2 N4 O14 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0859","0.0667","","","0.1428","0.1469","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502395","9.04","0.003","13.448","0.004","10.514","0.003","90","","93.69","0.004","90","","1275.5","0.7","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O7 S -","- C27 H27 N O7 S -","- C54 H54 N2 O14 S2 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0437","0.0361","","","0.07","0.0726","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502411","9.5327","0.0001","14.3362","0.0002","11.4665","0.0005","90","","109.175","0.0008","90","","1480.1","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O14 -","- C32 H30 O14 -","- C64 H60 O28 -","2","1","","Kikuchi, Haruhisa; Isobe, Masato; Sekiya, Mizuki; Abe, Yuko; Hoshikawa, Tsuyoshi; Ueda, Kazunori; Kurata, Shoichiro; Katou, Yasuhiro; Oshima, Yoshiteru","Structures of the dimeric and monomeric chromanones, gonytolides A-C, isolated from the fungus Gonytrichum sp. and their promoting activities of innate immune responses.","Organic letters","2011","13","17","4624","4627","10.1021/ol2018449","","","1.54187","CuKα","","","0.0688","","","","0.2288","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502436","11.6459","0.0008","4.9893","0.0004","16.0289","0.0011","90","","109.236","0.004","90","","879.36","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Ingle, Gajendrasingh K.; Mormino, Michael G.; Wojtas, Lukasz; Antilla, Jon C.","Chiral phosphoric acid-catalyzed addition of thiols to N-acyl imines: access to chiral N,S-acetals.","Organic letters","2011","13","18","4822","4825","10.1021/ol201899c","","","1.54178","CuKα","","0.0601","0.05","","","0.1155","0.1225","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502442","6.458","0.005","10.738","0.001","12.738","0.001","90","","102.324","0.009","90","","863","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 -","- C15 H23 N O7 -","- C30 H46 N2 O14 -","2","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0712","0.0496","","","0.0941","0.1055","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502443","8.257","0.001","12.014","0.002","9.095","0.001","90","","104.18","0.01","90","","874.7","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","1","0.5","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.1132","0.0676","","","0.1077","0.125","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502444","11.1402","0.0016","8.2454","0.0011","22.881","0.003","90","","99.42","0.003","90","","2073.4","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","1","0.5","","Lan, Yu-Bao; Zhao, Hua; Liu, Zhao-Min; Liu, Guo-Gui; Tao, Jing-Chao; Wang, Xing-Wang","Chiral counteranion synergistic organocatalysis under high temperature: efficient construction of optically pure spiro[cyclohexanone-oxindole] backbone.","Organic letters","2011","13","18","4866","4869","10.1021/ol201943g","","","0.71075","MoKα","","0.0747","0.0455","","","0.067","0.0777","","","","","","0.86","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502450","11.367","0.002","9.0168","0.0018","11.449","0.002","90","","94.36","0.03","90","","1170.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C48 H48 N4 O16 -","2","1","","Yin, Biao-Lin; Zhang, Ze-Ren; Xu, Li-Wen; Jiang, Huanfeng","Highly facialselective synthesis of pyranose 1,3-oxazines and their ring opening with nucleophiles: a novel entry to 2-C-branched glycosides.","Organic letters","2011","13","19","5088","5091","10.1021/ol2019604","","","0.71073","MoKα","","0.1312","0.0525","","","0.1203","0.186","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502460","9.2829","0.0002","5.7495","0.0001","38.036","0.003","90","","95.679","0.007","90","","2020.09","0.17","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54178","CuKα","","0.0346","0.033","","","0.0832","0.084","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502471","6.025","0.003","8.067","0.003","14.859","0.006","90","","92.998","0.007","90","","721.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C36 H30 Cl2 O2 -","2","1","","Wang, Yazhou; Feng, Xiangqing; Du, Haifeng","Kinetic resolution of hindered Morita-Baylis-Hillman adducts by Rh(I)-catalyzed asymmetric 1,4-addition/β-hydroxyelimination.","Organic letters","2011","13","18","4954","4957","10.1021/ol202069e","","","0.71073","MoKα","","0.0604","0.0553","","","0.1345","0.14","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502472","10.236","0.004","7.645","0.003","14.941","0.007","90","","104.633","0.008","90","","1131.3","0.8","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 O6 S2 -","- C27 H24 O6 S2 -","- C54 H48 O12 S4 -","2","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via asymmetric Michael reaction catalyzed by cinchonine-derived urea.","Organic letters","2011","13","19","5192","5195","10.1021/ol202073p","","","0.71073","MoKα","","0.0919","0.054","","","0.086","0.0969","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502478","9.821","0.004","7.317","0.003","10.846","0.004","90","","108.497","0.005","90","","739.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C36 H36 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey; Cook, James M.","Regiospecific, enantiospecific total synthesis of C-19 methyl substituted sarpagine alkaloids dihydroperaksine-17-al and dihydroperaksine.","Organic letters","2011","13","19","5216","5219","10.1021/ol202101p","","","0.71073","MoKα","","0.0613","0.0566","","","0.144","0.1507","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502482","13.1314","0.0009","5.8958","0.0004","15.9344","0.0011","90","","109.439","0.002","90","","1163.32","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br O5 -","- C26 H25 Br O5 -","- C52 H50 Br2 O10 -","2","1","","Liu, Chen; Dou, Xiaowei; Lu, Yixin","Organocatalytic asymmetric aldol reaction of hydroxyacetone with β,γ-unsaturated α-keto esters: facile access to chiral tertiary alcohols.","Organic letters","2011","13","19","5248","5251","10.1021/ol2021274","","","0.71073","MoKα","","0.0591","0.0521","","","0.1045","0.1082","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502495","8.521","0.0008","8.5892","0.0008","16.5795","0.0015","90","","104.826","0.001","90","","1173.03","0.19","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","1","","Nicolaou, K. C.; Sun, Ya-Ping; Sarlah, David; Zhan, Weiqiang; Wu, T. Robert","Bioinspired synthesis of hirsutellones A, B, and C.","Organic letters","2011","13","20","5708","5710","10.1021/ol202239u","","","0.71073","MoKα","","0.0683","0.0453","","","0.1034","0.1167","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502504","15.3997","0.0005","6.0444","0.0003","23.8606","0.001","90","","100.45","0.001","90","","2184.15","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 Br2 O3 -","- C26 H20 Br2 O3 -","- C104 H80 Br8 O12 -","4","2","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0426","0.0316","","","0.0604","0.0638","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502507","10.2144","0.0008","5.5884","0.0004","13.5096","0.0011","90","","98.294","0.004","90","","763.09","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.0323","0.032","","","0.0839","0.0844","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502516","6.0456","0.0006","9.8728","0.001","23.236","0.002","90","","93.94","0.001","90","","1383.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H29 Br O5 -","- C31 H29 Br O5 -","- C62 H58 Br2 O10 -","2","1","","Ashtekar, Kumar Dilip; Staples, Richard J.; Borhan, Babak","Development of a formal catalytic asymmetric [4+2] addition of ethyl-2,3-butadienoate with acyclic enones.","Organic letters","2011","13","21","5732","5735","10.1021/ol202301f","","x-ray","0.71073","MoKα","","0.0876","0.0514","","","0.0962","0.1096","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502520","8.0667","0.0002","8.2677","0.0002","14.2711","0.0003","90","","101.049","0.001","90","","934.14","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","2","","Magauer, Thomas; Myers, Andrew G.","Short and efficient synthetic route to methyl α-trioxacarcinoside B and anomerically activated derivatives.","Organic letters","2011","13","20","5584","5587","10.1021/ol202315m","","","1.54178","CuKα","","0.0251","0.0249","","","0.0638","0.064","","","","","","1.086","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1502522","10.73","0.006","9.321","0.006","12.255","0.007","90","","100.86","0.005","90","","1203.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1022","0.0506","","","0.1067","0.1273","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502523","11.447","0.003","6.649","0.002","14.217","0.004","90","","110.166","0.003","90","","1015.7","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C50 H52 O4 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.0688","0.0443","","","0.0923","0.1059","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502525","7.72443","0.00017","8.2531","0.0003","19.2848","0.0007","90","","96.121","0.003","90","","1222.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.1073","0.0531","","","0.0933","0.1089","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502529","12.3284","0.0009","5.9912","0.0004","12.3764","0.0009","90","","111.414","0.0014","90","","851.04","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O5 -","- C19 H14 Br N O5 -","- C38 H28 Br2 N2 O10 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502563","8.9778","0.0006","14.529","0.0011","12.2226","0.0009","90","","100.458","0.003","90","","1567.8","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H27 Cl4 N2 O4 P Pd -","- C29 H27 Cl4 N2 O4 P Pd -","- C58 H54 Cl8 N4 O8 P2 Pd2 -","2","1","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.03","0.0264","","","0.0625","0.0751","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502569","14.0044","0.0003","8.34399","0.00015","18.0791","0.0004","90","","102.479","0.0007","90","","2062.68","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18.667 N2 O7.333 -","- C12 H18.6667 N2 O7.33333 -","- C72 H112 N12 O44 -","6","3","","Mori, Kazuto; Kodama, Tetsuya; Obika, Satoshi","Design, Synthesis, and Properties of Boat-Shaped Glucopyranosyl Nucleic Acid","Organic Letters","2011","13","22","6050","6053","10.1021/ol2025229","","","1.54187","CuKα","","","0.0476","","","","0.0723","","","","","","1.004","","","","has coordinates","210342","2020-10-21","18:00:00",""
"1502570","8.8276","0.0018","11.186","0.002","12.244","0.002","90","","107.07","0.03","90","","1155.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Br N O2 S -","- C22 H36 Br N O2 S -","- C44 H72 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0387","0.0359","","","0.0769","0.0785","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502571","9.439","0.002","11.246","0.003","13.111","0.003","90","","109.97","0.03","90","","1308.1","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Br N O2 S -","- C26 H42 Br N O2 S -","- C52 H84 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0378","0.035","","","0.0725","0.0743","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502572","6.9024","0.0014","7.5807","0.0015","18.512","0.004","90","","91.49","0.03","90","","968.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H25 Br N2 O4 S -","- C17 H25 Br N2 O4 S -","- C34 H50 Br2 N4 O8 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0423","0.0401","","","0.0851","0.087","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502576","12.722","0.003","4.8282","0.0011","19.81","0.005","90","","96.755","0.005","90","","1208.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C48 H56 Br4 N4 O8 -","4","2","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Highly enantioselective and regioselective substitution of Morita-Baylis-Hillman carbonates with nitroalkanes.","Organic letters","2011","13","22","6070","6073","10.1021/ol202555v","","","0.71073","MoKα","","0.0569","0.0443","","","0.1054","0.1118","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502578","8.672","0.003","9.491","0.003","9.253","0.003","90","","112.782","0.006","90","","702.2","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0352","0.0316","","","0.0779","0.0803","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502601","11.575","0.0004","8.1302","0.0003","16.0924","0.0005","90","","107.288","0.002","90","","1445.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C58 H88 O12 Si2 -","2","1","","Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D.","Gram-scale synthesis of the A'B'-subunit of angelmicin B.","Organic letters","2011","13","24","6436","6439","10.1021/ol202728v","","","0.71073","MoKα","","0.0449","0.0395","","","0.0906","0.0939","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502610","13.4488","0.0009","12.1633","0.0008","18.4592","0.0013","90","","108.832","0.002","90","","2857.9","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 O5 Si2 -","- C28 H38 O5 Si2 -","- C112 H152 O20 Si8 -","4","2","","Adachi, Masaatsu; Yamada, Hitomi; Isobe, Minoru; Nishikawa, Toshio","Total synthesis of polygalolide A.","Organic letters","2011","13","24","6532","6535","10.1021/ol2028256","","","0.71073","MoKα","","0.0904","0.0529","","","0.1072","0.1254","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502615","8.8113","0.0015","7.6399","0.0013","13.258","0.002","90","","93.732","0.002","90","","890.6","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.035","0.0332","","","0.0884","0.0903","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502619","9.4722","0.0002","10.0791","0.0002","16.3227","0.0005","90","","92.756","0.002","90","","1556.55","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 N O3 P -","- C15 H22 N O3 P -","- C60 H88 N4 O12 P4 -","4","2","","Adams, Harry; Collins, Rebecca C.; Jones, Simon; Warner, Christopher J. A.","Enantioselective preparation of P-chiral phosphine oxides.","Organic letters","2011","13","24","6576","6579","10.1021/ol202916j","","","0.71073","MoKα","","0.0415","0.0351","","","0.0848","0.097","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502670","5.1805","0.0001","17.2642","0.0004","28.104","0.0006","90","","92.234","0.001","90","","2511.63","0.09","170","","170","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C26.5 H33 N O6.5 -","- C26.5 H33 N O6.5 -","- C106 H132 N4 O26 -","4","2","","Auzzas, Luciana; Larsson, Andreas; Matera, Riccardo; Baraldi, Annamaria; Deschênes-Simard, Benoît; Giannini, Giuseppe; Cabri, Walter; Battistuzzi, Gianfranco; Gallo, Grazia; Ciacci, Andrea; Vesci, Loredana; Pisano, Claudio; Hanessian, Stephen","Non-natural macrocyclic inhibitors of histone deacetylases: design, synthesis, and activity.","Journal of medicinal chemistry","2010","53","23","8387","8399","10.1021/jm101092u","","","1.54178","CuKα","","0.0512","0.0367","","","0.0812","0.086","","","","","","0.917","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502737","11.414","0.002","8.499","0.002","11.529","0.002","90","","115.28","0.03","90","","1011.3","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.","Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.","The journal of physical chemistry. A","2010","114","47","12522","12530","10.1021/jp108104g","","","0.71073","MoKα","","0.1093","0.0591","","","0.1072","0.1281","","","","","","0.957","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502791","8.032","0.003","8.278","0.003","11.532","0.004","90","","99.19","0.03","90","","756.9","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Chou, Tsung-Hsien; Chen, Jih-Jung; Lee, Shiow-Ju; Chiang, Michael Y.; Yang, Cheng-Wei; Chen, Ih-Sheng","Cytotoxic flavonoids from the leaves of Cryptocarya chinensis.","Journal of natural products","2010","73","9","1470","1475","10.1021/np100014j","","","0.71073","MoKα","","0.0497","0.0335","","","0.0926","0.1012","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502795","8.797","0.0001","9.901","0.0001","15.9022","0.0002","90","","99.925","0.001","90","","1364.34","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O11 -","- C29 H36 O11 -","- C58 H72 O22 -","2","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching","Nortriterpene lactones from the fruits of Schisandra arisanensis.","Journal of natural products","2010","73","7","1228","1233","10.1021/np100048h","","","1.54178","CuKα","","0.037","0.0358","","","0.1077","0.1092","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502796","9.7774","0.0014","10.7185","0.0016","17.521","0.003","90","","90.174","0.003","90","","1836.2","0.5","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","2","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.0675","0.0418","","","0.0943","0.105","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502797","8.2674","0.0017","8.6702","0.0018","12.79","0.003","90","","99.451","0.004","90","","904.3","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.0618","0.0479","","","0.1168","0.1356","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502800","6.5869","0.0013","8.1866","0.0016","17.513","0.004","90","","95.2","0.03","90","","940.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O8 S3 -","- C18 H20 N2 O8 S3 -","- C36 H40 N4 O16 S6 -","2","1","","Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan","Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum.","Journal of natural products","2010","73","7","1240","1249","10.1021/np1000895","","","0.71073","MoKα","","0.0376","0.036","","","0.0799","0.081","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502801","10.823","0.002","8.2414","0.0016","11.223","0.002","90","","115.69","0.03","90","","902.1","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O5 S2 -","- C19 H20 N2 O5 S2 -","- C38 H40 N4 O10 S4 -","2","1","","Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan","Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum.","Journal of natural products","2010","73","7","1240","1249","10.1021/np1000895","","","0.71073","MoKα","","0.0387","0.0358","","","0.0808","0.0838","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502802","10.949","0.002","8.7488","0.0017","13.036","0.003","90","","99.22","0.03","90","","1232.6","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O10 S2 -","- C20 H34 N2 O10 S2 -","- C40 H68 N4 O20 S4 -","2","1","","Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan","Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum.","Journal of natural products","2010","73","7","1240","1249","10.1021/np1000895","","","1.54178","CuKα","","0.0418","0.0372","","","0.0955","0.0974","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502803","11.1427","0.0009","13.0004","0.001","28.073","0.002","90","","90.43","0.005","90","","4066.5","0.5","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 1","1,4-dihydroxy-3-((2R,3R,5S,6R)-6-((R)-1-methylypropyl)-3,5-dimethyltetrahydro- 2H-pyran-2-yl)-5-phenylpyridin-2(1H)-one","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","4","","Kumarihamy, Mallika; Fronczek, Frank R.; Ferreira, Daneel; Jacob, Melissa; Khan, Shabana I.; Nanayakkara, N. P. Dhammika","Bioactive 1,4-dihydroxy-5-phenyl-2-pyridinone alkaloids from Septoria pistaciarum.","Journal of natural products","2010","73","7","1250","1253","10.1021/np1000939","","","1.54178","CuKα","","0.039","0.038","","","0.102","0.104","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502805","11.197","0.006","7.218","0.004","12.421","0.007","90","","99.841","0.011","90","","989.1","0.9","153","1","153","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl N O6 -","- C20 H28 Cl N O6 -","- C40 H56 Cl2 N2 O12 -","2","1","","Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E.","Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine.","Journal of natural products","2010","73","8","1427","1430","10.1021/np1001169","","","0.71075","MoKα","","0.1105","0.0962","","","0.2503","0.2646","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502808","8.1004","0.0004","16.0763","0.0008","11.7961","0.0006","90","","99.64","0.001","90","","1514.45","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H40 O10 -","- C32 H40 O10 -","- C64 H80 O20 -","2","1","","Pan, Jian-Yu; Chen, Shi-Lin; Li, Min-Yi; Li, Jun; Yang, Mei-Hua; Wu, Jun","Limonoids from the Seeds of a Hainan Mangrove,Xylocarpus granatum","Journal of Natural Products","2010","73","10","1672","","10.1021/np100395w","","","0.71073","MoKα","","0.0364","0.0336","","","0.0892","0.0919","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502809","7.9418","0.0004","16.2706","0.0009","11.6249","0.0006","90","","96.814","0.001","90","","1491.53","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H40 O10 -","- C32 H40 O10 -","- C64 H80 O20 -","2","1","","Pan, Jian-Yu; Chen, Shi-Lin; Li, Min-Yi; Li, Jun; Yang, Mei-Hua; Wu, Jun","Limonoids from the Seeds of a Hainan Mangrove,Xylocarpus granatum","Journal of Natural Products","2010","73","10","1672","","10.1021/np100395w","","","0.71073","MoKα","","0.041","0.0352","","","0.0993","0.1041","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502813","10.9891","0.0007","21.7404","0.0013","12.9098","0.0008","90","","99.167","0.001","90","","3044.9","0.3","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C144 H208 O16 -","8","4","","Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun","Dolabranes from the Chinese Mangrove,Ceriops tagal","Journal of Natural Products","2010","73","10","1701","","10.1021/np100484w","","","0.71073","MoKα","","0.0521","0.0406","","","0.0951","0.1013","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502824","13.551","0.006","6.242","0.003","16.767","0.007","90","","102.966","0.007","90","","1382.1","1.1","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H48 O9 -","- C27 H48 O9 -","- C54 H96 O18 -","2","1","","Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping","ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2010","73","1","17","21","10.1021/np9005579","","","0.71073","MoKα","","0.053","0.0421","","","0.0907","0.0979","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502830","7.4736","0.0008","10.0105","0.0011","13.8215","0.0014","90","","91.314","0.005","90","","1033.78","0.19","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Schmidt, Lori E.; Deyrup, Stephen T.; Baltrusaitis, Jonas; Swenson, Dale C.; Wicklow, Donald T.; Gloer, James B.","Hymenopsins A and B and a macrophorin analogue from a fungicolous Hymenopsis sp.","Journal of natural products","2010","73","3","404","408","10.1021/np900613d","","","0.71073","MoKα","","0.0475","0.0372","","","0.0866","0.0924","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502831","6.0017","0.0005","11.9713","0.0006","9.576","0.0008","90","","93.375","0.003","90","","686.82","0.09","120","2","120","2","","","","","","","'from the Brazilian Red Alga Laurencia catarinensis'","5","P 1 21 1","P 2yb","4","10S*-O-methyl-furocaespitanelactol","4-(3-bromo-4-chloro-4-methylcyclohexyl)-5-methoxy-5-methyl-2(5H)-furanone","","- C13 H18 Br Cl O3 -","- C13 H18 Br Cl O3 -","- C26 H36 Br2 Cl2 O6 -","2","1","","Lhullier, Cintia; Falkenberg, Miriam; Ioannou, Efstathia; Quesada, Antonio; Papazafiri, Panagiota; Horta, Paulo Antunes; Schenkel, Eloir Paulo; Vagias, Constantinos; Roussis, Vassilios","Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis.","Journal of natural products","2010","73","1","27","32","10.1021/np900627r","","x-ray","0.71073","MoKα","","0.1153","0.0549","","","0.1082","0.1326","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502832","5.957","0.014","13.28","0.03","7.662","0.017","90","","104.54","0.03","90","","587","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H17 O6 -","- C10 H17 O6 -","- C20 H34 O12 -","2","1","","Lin, Sheng; Chen, Tao; Liu, Xiao-Hua; Shen, Yun-Heng; Li, Hui-Liang; Shan, Lei; Liu, Run-Hui; Xu, Xi-Ke; Zhang, Wei-Dong; Wang, Hui","Iridoids and lignans from Valeriana jatamansi.","Journal of natural products","2010","73","4","632","638","10.1021/np900795c","","","0.71073","MoKα","","0.0606","0.0595","","","0.1501","0.1517","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502860","10.3491","0.0004","13.9142","0.0006","14.5174","0.0007","90","","92.506","0.002","90","","2088.5","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H42 N2 O6 S -","- C46 H42 N2 O6 S -","- C92 H84 N4 O12 S2 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1514","0.1055","","","0.2481","0.2774","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502861","15.0278","0.0004","8.3561","0.0003","15.8925","0.0005","90","","113.371","0.002","90","","1831.95","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O2 S -","- C46 H46 N2 O2 S -","- C92 H92 N4 O4 S2 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1651","0.0905","","","0.1941","0.2535","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502862","10.9995","0.0003","14.5737","0.0004","12.0336","0.0004","90","","95.381","0.001","90","","1920.53","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H40 N2 O6 -","- C46 H40 N2 O6 -","- C92 H80 N4 O12 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1088","0.074","","","0.1582","0.1959","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502865","9.4119","0.0016","9.3243","0.0015","12.776","0.002","90","","106.893","0.004","90","","1072.8","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Br O3 Si -","- C21 H27 Br O3 Si -","- C42 H54 Br2 O6 Si2 -","2","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0401","0.034","","","0.0669","0.0705","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502866","11.058","0.0006","6.1283","0.0003","16.6542","0.0008","90","","103.318","0.001","90","","1098.25","0.1","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl N2 O6 Si -","- C20 H23 Cl N2 O6 Si -","- C40 H46 Cl2 N4 O12 Si2 -","2","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0298","0.0268","","","0.0647","0.0662","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502867","6.551","0.0001","17.5144","0.0004","10.7025","0.0003","90","","90.7342","0.001","90","","1227.87","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","Guajadial","","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","1","","Lawrence, Andrew L.; Adlington, Robert M.; Baldwin, Jack E.; Lee, Victor; Kershaw, Jessica A.; Thompson, Amber L.","A short biomimetic synthesis of the meroterpenoids guajadial and psidial A.","Organic letters","2010","12","8","1676","1679","10.1021/ol100138k","","","0.71073","MoKα","","0.0772","0.0689","","0.1666","0.1575","0.1666","","","","","","0.935","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502879","14.079","0.0007","14.7642","0.0008","23.8779","0.0012","90","","99.938","0.002","90","","4888.9","0.4","90","0.2","90","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C108 H136 Si4 -","- C108 H136 Si4 -","- C216 H272 Si8 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0692","0.0617","","","0.165","0.1756","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502884","7.13575","0.00015","11.5318","0.0003","16.6052","0.0004","90","","95.8187","0.0014","90","","1359.37","0.06","103.1","","103.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0483","","","","0.1246","","","","","","0.975","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502892","14.89","0.005","8.125","0.003","19.134","0.007","90","","112.53","0.004","90","","2138.2","1.3","173","2","173","2","","","100","","","","Synthetic","5","P 1 21 1","P 2yb","4","sa250","(±)-(1R,2S,7S)- 2-Benzyl -6-methylene-N-tosyl 3-aza-bicyclo[5.3.0]decane","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","2","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.0694","0.0613","","","0.1181","0.1239","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502925","7.206","0.0011","7.0551","0.0011","11.5524","0.0017","90","","97.855","0.003","90","","581.8","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C24 H30 N2 O10 -","2","1","","Tong, Xiao-Gang; Zhou, Li-Li; Wang, Yue-Hu; Xia, Chengfeng; Wang, Ye; Liang, Min; Hou, Fan-Fan; Cheng, Yong-Xian","Acortatarins A and B, two novel antioxidative spiroalkaloids with a naturally unusual morpholine motif from Acorus tatarinowii.","Organic letters","2010","12","8","1844","1847","10.1021/ol100451p","","","0.71073","MoKα","","0.0417","0.0403","","","0.1057","0.1068","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502942","5.4412","0.001","18.481","0.003","9.1796","0.0016","90","","106.141","0.008","90","","886.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 Br N O2 P -","- C17 H21 Br N O2 P -","- C34 H42 Br2 N2 O4 P2 -","2","1","","Zhao, Depeng; Mao, Lijuan; Wang, Yuan; Yang, Dongxu; Zhang, Quanliang; Wang, Rui","Catalytic asymmetric hydrophosphinylation of alpha,beta-unsaturated N-acylpyrroles: application of dialkyl phosphine oxides in enantioselective synthesis of chiral phosphine oxides or phosphines.","Organic letters","2010","12","8","1880","1882","10.1021/ol100504h","","","0.71073","MoKα","","0.0732","0.0451","","","0.0884","0.099","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502943","8.809","0.0016","9.2002","0.0017","11.103","0.002","90","","92.499","0.003","90","","899","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C36 H48 N4 O14 -","2","1","","Konishi, Hideyuki; Lam, Tin Yiu; Malerich, Jeremiah P.; Rawal, Viresh H.","Enantioselective alpha-amination of 1,3-dicarbonyl compounds using squaramide derivatives as hydrogen bonding catalysts.","Organic letters","2010","12","9","2028","2031","10.1021/ol1005104","","","0.71073","MoKα","","0.0411","0.0389","","","0.0934","0.0947","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502952","9.2745","0.0007","5.2059","0.0003","12.1233","0.0007","90","","92.047","0.002","90","","584.97","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Se -","- C10 H14 N2 O4 Se -","- C20 H28 N4 O8 Se2 -","2","1","","Alexander, Varughese; Choi, Won Jun; Chun, Jeongha; Kim, Hea Ok; Jeon, Ji Hye; Tosh, Dilip K.; Lee, Hyuk Woo; Chandra, Girish; Choi, Jungwon; Jeong, Lak Shin","A new DNA building block, 4'-selenothymidine: synthesis and modification to 4'-seleno-AZT as a potential anti-HIV agent.","Organic letters","2010","12","10","2242","2245","10.1021/ol1005906","","","0.71073","MoKα","","0.0304","0.0251","","","0.0496","0.0548","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502955","15.1508","0.0017","6.0052","0.0006","15.6364","0.0017","90","","115.054","0.014","90","","1288.8","0.3","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 Cl N2 O2 -","- C32 H29 Cl N2 O2 -","- C64 H58 Cl2 N4 O4 -","2","1","","Wang, Chao; Han, Zhi-Yong; Luo, Hong-Wen; Gong, Liu-Zhu","Highly enantioselective relay catalysis in the three-component reaction for direct construction of structurally complex heterocycles.","Organic letters","2010","12","10","2266","2269","10.1021/ol1006086","","","1.54184","CuKα","","0.0818","0.0392","","","0.0582","0.0651","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502956","15.55","0.06","25.46","0.09","20","0.08","90","","112.81","0.03","90","","7299","5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H100 N4 Ni O4 -","- C112 H100 N4 Ni O4 -","- C224 H200 N8 Ni2 O8 -","2","1","","Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L.","Bis-anthracene fused porphyrins: synthesis, crystal structure, and near-IR absorption.","Organic letters","2010","12","9","2124","2127","10.1021/ol100619p","","","0.6889","Synchrotron","","0.2626","0.1399","","0.2711","0.1283","0.1283","","","","","","0.9617","","","","has coordinates","288252","2023-12-12","14:26:09",""
"1502993","9.269","0.001","5.8773","0.0007","15.1007","0.0018","90","","101.95","0.006","90","","804.81","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Zeng, Xiaofei; Ye, Kehan; Lu, Min; Chua, Pei Juan; Tan, Bin; Zhong, Guofu","Chiral Brønsted acid catalyzed enantioselective addition of alpha-isocyanoacetamides to aldehydes.","Organic letters","2010","12","10","2414","2417","10.1021/ol1007789","","","0.71073","MoKα","","0.0568","0.0421","","","0.1094","0.1264","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503003","16.7347","0.0005","8.7664","0.0003","17.2571","0.0005","90","","117.845","0.001","90","","2238.54","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H60 O8 -","- C52 H60 O8 -","- C104 H120 O16 -","2","1","","Ajayi, Kehinde; Thakur, Vinay V.; Lapo, Robert C.; Knapp, Spencer","Intramolecular alpha-glucosaminidation: synthesis of mycothiol.","Organic letters","2010","12","11","2630","2633","10.1021/ol1008334","","","1.54178","CuKα","","0.0523","0.0475","","","0.1061","0.1079","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503011","8.3323","0.0007","11.9758","0.001","10.5285","0.0015","90","","100.916","0.004","90","","1031.59","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C50 H50 N2 O4 S2 -","2","1","","Bariwal, Jitender B.; Ermolat'ev, Denis S.; Glasnov, Toma N.; Van Hecke, Kristof; Mehta, Vaibhav P.; Van Meervelt, Luc; Kappe, C. Oliver; Van der Eycken, Erik V.","Diversity-oriented synthesis of dibenzoazocines and dibenzoazepines via a microwave-assisted intramolecular A(3)-coupling reaction.","Organic letters","2010","12","12","2774","2777","10.1021/ol1008729","","","1.54178","CuKα","","0.0669","0.0554","","","0.1325","0.1731","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503019","8.4603","0.0003","10.6883","0.0003","14.7189","0.0005","90","","95.992","0.002","90","","1323.7","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H47 Br O3 Si -","- C24 H47 Br O3 Si -","- C48 H94 Br2 O6 Si2 -","2","1","","Li, Hao; Loh, Teck-Peng","A facile method for the synthesis of highly substituted six-membered rings: Mukaiyama-Aldol-Prins cascade reaction.","Organic letters","2010","12","12","2679","2681","10.1021/ol100937r","","","0.71073","MoKα","","0.0569","0.0361","","","0.0793","0.1187","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503049","8.0218","0.0008","14.6605","0.0014","18.8312","0.0018","90","","96.776","0.002","90","","2199.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N6 O3 -","- C22 H24 N6 O3 -","- C88 H96 N24 O12 -","4","2","","Yan, Wuming; Wang, Qiaoyi; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Iron-catalyzed C-O bond activation for the synthesis of propargyl-1,2,3-triazoles and 1,1-bis-triazoles.","Organic letters","2010","12","15","3308","3311","10.1021/ol101082v","","","0.71073","MoKα","","0.1346","0.0628","","","0.1339","0.1678","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503060","9.757","0.008","29.99","0.02","11.97","0.009","90","","98.61","0.019","90","","3463","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C128 H160 N32 O56 -","8","4","","Medeiros, Matthew R.; Narayan, Radha S.; McDougal, Nolan T.; Schaus, Scott E.; Porco, Jr, John A","Skeletal diversity via cationic rearrangements of substituted dihydropyrans.","Organic letters","2010","12","14","3222","3225","10.1021/ol101144k","","","1.54178","CuKα","","0.0242","0.0238","","","0.0628","0.0631","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503068","6.24","0.003","7.706","0.003","12.861","0.005","90","","98.015","0.007","90","","612.4","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O -","- C14 H15 Br O -","- C28 H30 Br2 O2 -","2","1","","Yang, Hua; Carter, Rich G.","Synthesis of all-carbon, quaternary center-containing cyclohexenones through an organocatalyzed, multicomponent coupling.","Organic letters","2010","12","13","3108","3111","10.1021/ol1011955","","","0.71073","MoKα","","0.0382","0.0327","","","0.0638","0.0688","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503080","6.7284","0.0011","19.087","0.003","10.4396","0.0017","90","","94.175","0.009","90","","1337.1","0.4","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl O6 P W -","- C10 H6 Cl O6 P W -","- C40 H24 Cl4 O24 P4 W4 -","4","2","","Mao, Yanli; Mathey, Francois","From furans to phosphinines.","Organic letters","2010","12","15","3384","3385","10.1021/ol1012229","","","0.71073","MoKα","","0.0835","0.0746","","","0.1808","0.1913","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503085","9.977","0.002","5.5033","0.0011","13.198","0.003","90","","108.25","0.03","90","","688.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C32 H26 Br2 O4 -","2","1","","Chen, Zhengwang; Li, Jinghao; Jiang, Huanfeng; Zhu, Shifa; Li, Yibiao; Qi, Chaorong","Silver-catalyzed difunctionalization of terminal alkynes: highly regio- and stereoselective synthesis of (Z)-beta-haloenol acetates.","Organic letters","2010","12","14","3262","3265","10.1021/ol101251n","","","0.71073","MoKα","","0.1777","0.0495","","","0.0961","0.1643","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503093","12.393","0.003","5.8186","0.0012","14.691","0.003","90","","111.21","0.03","90","","987.6","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","Chen, Zili; Zhang, Yu-Xin; Wang, Ya-Hui; Zhu, Li-Li; Liu, Heng; Li, Xiao-Xiao; Guo, Lin","Gold catalyzed diastereoselective cascade allylation/enyne cycloisomerization to construct densely functionalized oxygen heterocycles.","Organic letters","2010","12","15","3468","3471","10.1021/ol1012923","","","0.71073","MoKα","","0.0655","0.0441","","","0.0852","0.0959","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503114","19.335","0.002","7.4272","0.001","20.267","0.003","90","","104.272","0.002","90","","2820.6","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H68 Br4 O7 -","- C58 H68 Br4 O7 -","- C116 H136 Br8 O14 -","2","1","","Shenvi, Ryan A.; Corey, E. J.","Synthetic access to bent polycycles by cation-pi cyclization.","Organic letters","2010","12","15","3548","3551","10.1021/ol101410g","","","0.71073","MoKα","","0.0924","0.0559","","","0.1243","0.1317","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503151","13.5681","0.0003","8.1292","0.0001","15.1521","0.0003","90","","107.156","0.002","90","","1596.88","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","2","","Yu, Jie; Chen, Wei-Jie; Gong, Liu-Zhu","Kinetic resolution of racemic 2,3-allenoates by organocatalytic asymmetric 1,3-dipolar cycloaddition.","Organic letters","2010","12","18","4050","4053","10.1021/ol101544c","","","1.54184","CuKα","","0.0699","0.0639","","","0.17","0.1756","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503157","7.6795","0.0002","8.1287","0.0002","21.2564","0.0005","90","","99.965","0.001","90","","1306.9","0.06","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O5 S Si -","- C21 H33 N3 O5 S Si -","- C42 H66 N6 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.0299","0.0288","","","0.0776","0.0784","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503159","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503162","20.312","0.0009","9.5308","0.0004","26.2849","0.0012","90","","107.355","0.001","90","","4856.8","0.4","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H106 N8 O9 -","- C124 H106 N8 O9 -","- C248 H212 N16 O18 -","2","1","","Wiedner, Susan D.; Vedejs, Edwin","Aziridinomitosanes via lactam cyclization.","Organic letters","2010","12","18","4030","4033","10.1021/ol101595u","","","0.71073","MoKα","","0.041","0.0368","","","0.0913","0.0943","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503185","5.437","0.002","16.067","0.006","11.335","0.004","90","","96.72","0.03","90","","983.4","0.6","298","1","298","1","101","2","101","2","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C44 H50 N2 O4 S2 -","2","1","","Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.","Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.","Organic letters","2010","12","19","4268","4270","10.1021/ol101687e","","x-ray","0.71073","MoKα","","0.0653","0.0566","","","0.1339","0.1379","","","","","","1.57","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503187","9.71","0.003","16.275","0.005","17.801","0.005","90","","92.955","0.01","90","","2809.4","1.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C128 H120 Cl8 N16 O8 -","8","4","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0954","0.0693","","","0.1729","0.1897","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503234","9.59","0.0019","16.381","0.003","32.198","0.006","90","","96.45","0.03","90","","5026.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C232 H264 N4 O27 P4 -","- C232 H264 N4 O27 P4 -","- C232 H264 N4 O27 P4 -","1","0.5","","Herbert, Simon A.; Arnott, Gareth E.","Synthesis of inherently chiral calix[4]arenes: stereocontrol through ligand choice.","Organic letters","2010","12","20","4600","4603","10.1021/ol101909f","","","0.71073","MoKα","","0.0836","0.0565","","","0.1167","0.1339","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503241","9.3013","0.0008","17.9217","0.0015","18.9114","0.0016","90","","101.888","0.001","90","","3084.8","0.5","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","(R,R)-1,2-Bis(tert-butylmethylphosphino)benzene(1,5-cyclooctadiene)rhodium(I) hexafluoroantiomonate","","","- C52 H88 F12 O2 P4 Rh2 Sb2 -","- C52 H88 F12 O2 P4 Rh2 Sb2 -","- C104 H176 F24 O4 P8 Rh4 Sb4 -","2","1","","Tamura, Ken; Sugiya, Masashi; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo","Enantiopure 1,2-bis(tert-butylmethylphosphino)benzene as a highly efficient ligand in rhodium-catalyzed asymmetric hydrogenation.","Organic letters","2010","12","19","4400","4403","10.1021/ol101936w","","","0.71073","MoKα","","0.0585","0.0409","","","0.1067","0.126","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503270","11.152","0.0007","20.0693","0.0009","15.1565","0.0008","90","","111.331","0.007","90","","3159.8","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C120 H168 Cl8 O32 -","8","4","","Genna, Douglas T.; Hencken, Christopher P.; Siegler, Maxime A.; Posner, Gary H.","α-Chloro-β,γ-ethylenic esters: enantiocontrolled synthesis and substitutions.","Organic letters","2010","12","20","4694","4697","10.1021/ol102142a","","","0.71073","MoKα","","0.0539","0.0456","","","0.1115","0.1177","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503275","6.5752","0.001","17.504","0.003","10.7096","0.0018","90","","90.862","0.016","90","","1232.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","guajadial","","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.122","0.1093","","","0.3091","0.3317","","","","","","1.472","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503277","8.90935","0.00016","21.6684","0.0004","11.1899","0.0008","90","","91.493","0.006","90","","2159.49","0.16","153.1","","153.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br F3 O2 -","- C24 H20 Br F3 O2 -","- C96 H80 Br4 F12 O8 -","4","2","","Kawai, Hiroyuki; Tachi, Kentaro; Tokunaga, Etsuko; Shiro, Motoo; Shibata, Norio","Cinchona alkaloid-catalyzed asymmetric trifluoromethylation of alkynyl ketones with trimethylsilyl trifluoromethane.","Organic letters","2010","12","22","5104","5107","10.1021/ol102189c","","","1.54187","CuKα","","","0.0372","","","","0.0925","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503290","9.91","0.001","6.3413","0.0006","28.512","0.003","90","","96.138","0.002","90","","1781.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","2","","Yang, Juanjuan; Li, Wenjun; Jin, Zhichao; Liang, Xinmiao; Ye, Jinxing","Enantioselective Michael reaction of α-alkyl-β-keto esters and enones under multifunctional catalysis.","Organic letters","2010","12","22","5218","5221","10.1021/ol102256v","","","0.71073","MoKα","","0.1169","0.0444","","","0.0791","0.0988","","","","","","0.879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503315","13.019","0.0003","8.5252","0.0002","21.5504","0.0006","90","","101.807","0.001","90","","2341.26","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H35 O9 -","- C23 H28 O9 -","- C92 H112 O36 -","4","2","","Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.","A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.","Organic letters","2010","12","23","5564","5566","10.1021/ol102358s","","","0.71073","MoKα","","0.058","0.0506","","","0.1428","0.148","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503331","12.899","0.006","6.511","0.003","15.349","0.008","90","","112.318","0.006","90","","1192.5","1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl2 F3 N O3 -","- C24 H22 Cl2 F3 N O3 -","- C48 H44 Cl4 F6 N2 O6 -","2","1","","Aikawa, Kohsuke; Hioki, Yūta; Mikami, Koichi","Highly enantioselective alkynylation of trifluoropyruvate with alkynylsilanes catalyzed by the BINAP-Pd complex: access to α-trifluoromethyl-substituted tertiary alcohols.","Organic letters","2010","12","24","5716","5719","10.1021/ol102541s","","","0.71073","MoKα","","0.1251","0.0962","","","0.2845","0.3041","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503332","8.3959","0.0009","20.777","0.002","11.9679","0.0013","90","","105.102","0.002","90","","2015.6","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O6 -","- C19 H17 Cl N2 O6 -","- C76 H68 Cl4 N8 O24 -","4","2","","Zhang, Fu-Gen; Yang, Qing-Qing; Xuan, Jun; Lu, Hai-Hua; Duan, Shu-Wen; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective conjugate addition of oximes to trisubstituted β-nitroacrylates: an organocatalytic approach to β(2,2)-amino acid derivatives.","Organic letters","2010","12","24","5636","5639","10.1021/ol102580n","","","0.71073","MoKα","","0.0725","0.0647","","","0.1739","0.1816","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503354","8.4417","0.0001","16.4362","0.0002","16.0375","0.0002","90","","103.244","0.001","90","","2166.01","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C44 H58 N4 O2 P2 -","- C44 H58 N4 O2 P2 -","- C88 H116 N8 O4 P4 -","2","1","","Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.","Organic letters","2010","12","3","428","431","10.1021/ol902545q","","x-ray","1.54184","CuKα","","0.0445","0.0379","","","0.0967","0.1","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503366","12.166","0.003","11.814","0.003","13.814","0.003","90","","106.863","0.005","90","","1900.1","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O5 -","- C22 H24 O5 -","- C88 H96 O20 -","4","2","","Bow, William F.; Basak, Ashok K.; Jolit, Anais; Vicic, David A.; Tius, Marcus A.","Enamine-iminium ion Nazarov cyclization of alpha-ketoenones.","Organic letters","2010","12","3","440","443","10.1021/ol9025765","","","0.71075","MoKα","","0.0474","0.0399","","","0.0827","0.0857","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503376","7.3489","0.0009","15.339","0.002","9.154","0.001","90","","98.337","0.003","90","","1021","0.2","163.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H18 Au Cl N O2 P -","- C22 H18 Au Cl N O2 P -","- C44 H36 Au2 Cl2 N2 O4 P2 -","2","1","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","0.7107","MoKα","","","0.0364","","","","0.0354","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503437","10.6835","0.0006","8.7762","0.0005","12.7768","0.0007","90","","97.709","0.004","90","","1187.13","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","2","","Xiao, Jian; Xu, Feng-Xia; Lu, Yun-Peng; Loh, Teck-Peng","Chemzymes: a new class of structurally rigid tricyclic amphibian organocatalyst inspired by natural product.","Organic letters","2010","12","6","1220","1223","10.1021/ol9029758","","","0.71073","MoKα","","0.0862","0.0463","","","0.1263","0.1494","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503447","7.4731","0.0002","11.0807","0.0003","13.9955","0.0004","90","","105.044","0.001","90","","1119.21","0.05","90","0.1","90","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C50 H72 O8 -","2","1","","Daoust, Julie; Fontana, Angelo; Merchant, Catherine E.; de Voogd, Nicole J.; Patrick, Brian O.; Kieffer, Timothy J.; Andersen, Raymond J.","Ansellone A, a sesterterpenoid isolated from the nudibranch Cadlina luteromarginata and the sponge Phorbas sp., activates the cAMP signaling pathway.","Organic letters","2010","12","14","3208","3211","10.1021/ol101151f","","","1.54178","CuKα","","0.034","0.0326","","","0.0804","0.0815","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503454","6.2608","0.0002","27.9762","0.002","11.5615","0.0004","89.99","0.006","90.002","0.006","89.995","0.006","2025.04","0.17","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","2","","Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P.","Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile.","Journal of medicinal chemistry","2012","55","2","717","724","10.1021/jm201157c","","","1.54187","CuKα","","","0.0584","","","","0.1598","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503459","8.90851","0.00016","15.3789","0.0003","12.3961","0.0009","90","","102.989","0.007","90","","1654.85","0.14","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","2","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0314","","","","0.081","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503461","8.4841","0.0006","35.0879","0.0006","12.7693","0.0009","90","","109.561","0.008","90","","3581.9","0.4","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21.25 H20.69 O6.1 -","- C21.25 H20.6935 O6.09675 -","- C170 H165.548 O48.774 -","8","4","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0847","","","","0.231","","","","","","1.048","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503462","5.205","0.0003","18.0275","0.001","8.0225","0.0006","90","","92.299","0.007","90","","752.17","0.08","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0353","","","","0.0897","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503467","10.9243","0.0019","7.6452","0.0013","13.624","0.002","90","","92.005","0.003","90","","1137.2","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0873","0.0502","","","0.1103","0.1287","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503468","7.9956","0.0008","12.2939","0.0013","11.3263","0.0011","90","","91.511","0.002","90","","1112.96","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0457","0.0395","","","0.1059","0.1118","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503470","5.3587","0.0011","13.167","0.003","11.052","0.002","90","","99.957","0.004","90","","768.1","0.3","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O8 -","- C16 H22 O9 -","- C32 H44 O18 -","2","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0382","0.0327","","","0.0833","0.0876","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503478","9.824","0.001","24.577","0.002","12.167","0.001","90","","107.43","0.01","90","","2802.8","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H68 N2 O6 -","- C68 H68 N2 O6 -","- C136 H136 N4 O12 -","2","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0549","0.0508","","0.146","0.1367","0.146","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503511","15.131","0.008","11.066","0.005","19.286","0.009","90","","101.158","0.008","90","","3168","3","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H80 Cl2 Cu2 N4 O3 P2 -","- C63.3568 H80 Cl2 Cu2 N4 O2.788 P2 -","- C126.714 H160 Cl4 Cu4 N8 O5.576 P4 -","2","1","","Osako, Takao; Panichakul, Duanghathai; Uozumi, Yasuhiro","Enantioselective carbenoid insertion into phenolic O-H bonds with a chiral copper(I) imidazoindolephosphine complex.","Organic letters","2012","14","1","194","197","10.1021/ol202977j","","","0.7107","MoKα","","","0.0576","","","","0.1123","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503519","10.26594","0.00007","9.75883","0.00008","17.96995","0.00014","90","","98.0805","0.0007","90","","1782.42","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O4 -","- C40 H50 N2 O4 -","- C80 H100 N4 O8 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0463","0.0456","","0.1336","0.1326","0.1336","","","","","","1.0828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503527","7.7364","0.0003","11.3727","0.0005","10.3702","0.0005","90","","93.049","0.001","90","","911.12","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11254a","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0306","0.0298","","","0.0751","0.0759","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503530","6.9618","0.0006","14.5124","0.0012","8.2473","0.0007","90","","110.215","0.003","90","","781.92","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Azulenium ion","","","- C18 H11 B F4 N2 -","- C18 H11 B F4 N2 -","- C36 H22 B2 F8 N4 -","2","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0421","0.0398","","","0.1039","0.1057","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503532","7.7103","0.0003","13.3553","0.0004","11.7923","0.0004","90","","100.094","0.002","90","","1195.5","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0322","0.0308","","","0.0768","0.0782","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503538","6.3","0.003","8.992","0.004","8.35","0.003","90","","94.468","0.007","90","","471.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0443","0.0388","","","0.0866","0.0888","","","","","","1.007","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1503539","6.343","0.002","9.068","0.003","8.4","0.003","90","","94.432","0.005","90","","481.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0721","0.0468","","","0.0957","0.1065","","","","","","1.003","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1503559","6.8478","0.0002","6.6488","0.0002","17.2236","0.0004","90","","90.252","0.001","90","","784.18","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Norsikian, Stéphanie; Soulé, Jean-François; Cannillo, Alexandre; Guillot, Régis; Dau, Marie-Elise Tran Huu; Beau, Jean-Marie","Remarkable stereoselectivity in intramolecular Borono-Mannich reactions: synthesis of conduramines.","Organic letters","2012","14","2","544","547","10.1021/ol203162s","","x-ray","0.71073","MoKα","","0.0485","0.0431","","","0.1125","0.1177","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503572","6.8563","0.0002","8.0054","0.0002","11.0535","0.0003","90","","102.385","0.001","90","","592.58","0.03","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C26 H24 O10 -","2","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0304","0.0299","","","0.0825","0.0834","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503583","11.241","0.004","6.823","0.002","11.298","0.004","90","","117.314","0.004","90","","769.9","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Xu, Silong; Chen, Rongshun; Qin, Zifeng; Wu, Guiping; He, Zhengjie","Divergent amine-catalyzed [4 + 2] annulation of morita-baylis-hillman allylic acetates with electron-deficient alkenes.","Organic letters","2012","14","4","996","999","10.1021/ol2032569","","","0.71073","MoKα","","0.0387","0.0291","","","0.0559","0.0576","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503606","10.7803","0.0004","9.3194","0.0004","15.7897","0.0006","90","","107.214","0.003","90","","1515.27","0.11","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H42 N4 O5 -","- C32 H42 N4 O5 -","- C64 H84 N8 O10 -","2","1","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0465","0.0422","","","0.0922","0.0954","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503611","12.7522","0.0009","7.1242","0.0005","13.8104","0.001","90","","110.072","0.001","90","","1178.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","1","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.0465","0.0357","","","0.0786","0.084","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503614","11.567","0.003","6.2104","0.0014","15.2","0.003","90","","105.426","0.003","90","","1052.6","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0613","0.0482","","","0.117","0.1253","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503619","11.454","0.009","6.186","0.005","15.081","0.012","90","","105.582","0.012","90","","1029.3","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0778","0.071","","","0.1791","0.1875","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503626","9.28387","0.00017","10.7517","0.00019","11.9589","0.0008","90","","94.002","0.007","90","","1190.8","0.09","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 F3 N O3 -","- C10 H16 F3 N O3 -","- C40 H64 F12 N4 O12 -","4","2","","Romney, David K.; Miller, Scott J.","A Peptide-embedded trifluoromethyl ketone catalyst for enantioselective epoxidation.","Organic letters","2012","14","4","1138","1141","10.1021/ol3000712","","","1.54187","CuKα","","","0.0228","","","","0.0539","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503664","6.6457","0.0002","10.369","0.0003","11.3174","0.0004","90","","92.645","0.001","90","","779.04","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C34 H52 N4 O4 -","2","1","","Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.","Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.","Journal of medicinal chemistry","2009","52","11","3591","3595","10.1021/jm900133w","","","0.71073","MoKα","","0.0389","0.0339","","","0.0767","0.08","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503666","11.4279","0.0004","9.9784","0.0003","16.245","0.0006","90","","93.967","0.001","90","","1848.01","0.11","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C66 H120 N12 O12 -","6","3","","Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.","Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.","Journal of medicinal chemistry","2009","52","11","3591","3595","10.1021/jm900133w","","","0.71073","MoKα","","0.0627","0.0457","","","0.0997","0.1081","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503668","9.7642","0.0014","8.0842","0.0011","11.694","0.0017","90","","98.007","0.002","90","","914.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","","Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao","Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.","Journal of medicinal chemistry","2009","52","16","5115","5123","10.1021/jm900342g","","","0.71073","MoKα","","0.0555","0.0475","","","0.1058","0.1099","","","","","","0.957","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503679","6.8213","0.0001","12.964","0.0001","11.3897","0.0001","90","","104.69","0.001","90","","974.283","0.019","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C40 H72 O8 -","2","1","","Stavri, Michael; Paton, Alan; Skelton, Brian W.; Gibbons, Simon","Antibacterial diterpenes from Plectranthus ernstii.","Journal of natural products","2009","72","6","1191","1194","10.1021/np800581s","","","1.54184","CuKα","","0.0301","0.0299","","","0.0828","0.0831","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503680","12.827","0.002","20.944","0.004","13.013","0.002","90","","90.26","0.02","90","","3495.9","1","293","2","293","2","","","","","","","natural product","4","P 1 21 1","P 2yb","4","","","","- C40 H38 N4 O5 -","- C40 H38 N4 O5 -","- C160 H152 N16 O20 -","4","2","","de Oliveira, Pollyanna Laurindo; Tanaka, Clara M. A.; Kato, Lucília; da Silva, Cleuza C.; Medina, Rebeca Previate; Moraes, Aline P.; Sabino, José R; de Oliveira, Cecília M A","Amaiouine, a cyclopeptide alkaloid from the leaves of Amaioua guianensis.","Journal of natural products","2009","72","6","1195","1197","10.1021/np8006028","","x-ray","1.5418","CuKα","","0.1274","0.0911","","","0.2188","0.2627","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503681","7.512","0.001","6.6024","0.0008","15.97","0.003","90","","100.287","0.005","90","","779.3","0.2","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N3 O5 S2 -","- C13 H11 N3 O5 S2 -","- C26 H22 N6 O10 S4 -","2","1","","Park, Hyun Bong; Kwon, Hak Cheol; Lee, Chang-Ho; Yang, Hyun Ok","Glionitrin A, an antibiotic-antitumor metabolite derived from competitive interaction between abandoned mine microbes.","Journal of natural products","2009","72","2","248","252","10.1021/np800606e","","","0.7107","MoKα","","","0.121","","","","0.365","","","","","","1.487","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503682","8.74","0.0019","7.758","0.004","9.939","0.004","90","","99.24","0.02","90","","665.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H3 Cl6 N O -","- C10 H3 Cl6 N O -","- C20 H6 Cl12 N2 O2 -","2","1","","Hopp, D. Craig; Rhea, Joshua; Jacobsen, Daniel; Romari, Khadidja; Smith, Chris; Rabenstein, John; Irigoyen, Macarena; Clarke, Midori; Francis, Linda; Luche, Michele; Carr, Grant J.; Mocek, Ulla","Neopyrrolomycins with broad spectrum antibacterial activity.","Journal of natural products","2009","72","2","276","279","10.1021/np800632f","","","0.71073","MoKα","","0.0628","0.0404","","","0.0785","0.0875","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503683","16.991","","9.914","","19.319","","90","","110.71","","90","","3043.98","","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H40 O10 -","- C31.5 H38 O10 -","- C126 H152 O40 -","4","2","","Fang, Xin; Di, Ying-Tong; Li, Chun-Shun; Geng, Zhao-Liang; Zhang, Zhen; Zhang, Yu; Lu, Yang; Zheng, Qi-Tai; Yang, Shi-Yin; Hao, Xiao-Jiang","Tetranortriterpenoids from the Leaves of Cipadessa cinerascens.","Journal of natural products","2009","72","4","714","718","10.1021/np800656r","","","0.71073","MoKα","","0.0825","0.0615","","","0.1561","0.1755","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503684","7.691","0.0015","10.688","0.002","16.499","0.003","90","","99.96","0.03","90","","1335.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Sang, Yi Shu; Zhou, Chun Yan; Lu, Ai Jun; Yin, Xiao Jin; Min, Zhi Da; Tan, Ren Xiang","Protolimonoids from Melia toosendan.","Journal of natural products","2009","72","5","917","920","10.1021/np800669c","","","0.71073","MoKα","","0.1272","0.0816","","","0.1922","0.26","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503693","6.1288","0.0018","7.166","0.002","12.816","0.004","90","","102.805","0.004","90","","548.9","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C22 H40 O4 -","2","1","","Jiang, Meng-Yuan; Zhang, Ling; Liu, Rong; Dong, Ze-Jun; Liu, Ji-Kai","Speciosins A-K, oxygenated cyclohexanoids from the basidiomycete Hexagonia speciosa.","Journal of natural products","2009","72","8","1405","1409","10.1021/np900182m","","","0.71073","MoKα","","0.1649","0.0787","","","0.1839","0.2199","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503697","12.37","0.0009","7.2582","0.0005","29.428","0.002","90","","98.411","0.004","90","","2613.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","2","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0586","0.0444","","","0.1063","0.1182","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503704","11.273","0.0002","12.2662","0.0002","13.8488","0.0007","90","","110.912","0.0007","90","","1788.83","0.1","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H52 N4 O7 -","- C43 H52 N4 O7 -","- C86 H104 N8 O14 -","2","1","","Zaima, Kazumasa; Hirata, Tomoko; Hosoya, Takahiro; Hirasawa, Yusuke; Koyama, Koichiro; Rahman, Abdul; Kusumawati, Idha; Zaini, Noor Cholies; Shiro, Motoo; Morita, Hiroshi","Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa.","Journal of natural products","2009","72","9","1686","1690","10.1021/np900365r","","","1.54187","CuKα","","","0.0394","","","","0.1053","","","","","","1.036","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1503707","7.9214","0.001","10.7896","0.0014","8.7901","0.0011","90","","104.961","0.002","90","","725.81","0.16","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H12 O8 -","- C16 H12 O8 -","- C32 H24 O16 -","2","1","","Liermann, Johannes C.; Kolshorn, Heinz; Opatz, Till; Thines, Eckhard; Anke, Heidrun","Xanthepinone, an antimicrobial polyketide from a soil fungus closely related to Phoma medicaginis.","Journal of natural products","2009","72","10","1905","1907","10.1021/np9005234","","","0.71073","MoKα","","0.0449","0.0323","","","0.0576","0.0604","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503708","6.557","0.0002","20.0101","0.0004","7.6041","0.0002","90","","105.323","0.003","90","","962.24","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C38 H54 N2 O12 -","2","1","","Vinale, Francesco; Flematti, Gavin; Sivasithamparam, Krishnapillai; Lorito, Matteo; Marra, Roberta; Skelton, Brian W.; Ghisalberti, Emilio L.","Harzianic acid, an antifungal and plant growth promoting metabolite from Trichoderma harzianum.","Journal of natural products","2009","72","11","2032","2035","10.1021/np900548p","","","1.54178","CuKα","","0.0261","0.0258","","","0.0659","0.0662","","","","","","1.096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503709","10.861","0.002","6.3257","0.0013","13.029","0.003","90","","97.27","0.03","90","","887.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O8 S2 -","- C18 H20 N2 O8 S2 -","- C36 H40 N4 O16 S4 -","2","1","","Guo, Huijuan; Sun, Bingda; Gao, Hao; Chen, Xulin; Liu, Shuchun; Yao, Xinsheng; Liu, Xingzhong; Che, Yongsheng","Diketopiperazines from the Cordyceps-colonizing fungus Epicoccum nigrum.","Journal of natural products","2009","72","12","2115","2119","10.1021/np900654a","","","0.71073","MoKα","","0.0337","0.0324","","","0.0814","0.0824","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503730","9.291","0.003","23.68","0.007","11.16","0.004","90","","106.733","0.004","90","","2351.4","1.3","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H23 Br N O3 P S -","- C25 H23 Br N O3 P S -","- C100 H92 Br4 N4 O12 P4 S4 -","4","2","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.0606","0.0428","","","0.0749","0.0832","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503742","8.5959","0.0005","11.3682","0.0004","8.9482","0.0005","90","","117.021","0.003","90","","778.97","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C34 H44 O6 S2 -","2","1","","Mollat du Jourdin, Xavier; Noshi, Mohammad; Fuchs, P. L.","Designer discodermolide segments via ozonolysis of vinyl phosphonates.","Organic letters","2009","11","3","543","546","10.1021/ol802503h","","","0.71073","MO-Kα","","0.035","0.031","","","0.073","0.075","","","","","","1.091","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503750","9.53356","0.00012","8.72657","0.0001","13.20228","0.00016","90","","91.5371","0.0011","90","","1097.97","0.02","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O3 -","- C25 H28 N4 O3 -","- C50 H56 N8 O6 -","2","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","1.5418","CuKα","","0.032","0.0298","","","0.0741","0.084","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503754","16.428","0.002","6.3139","0.0008","18.813","0.002","90","","106.092","0.002","90","","1874.9","0.4","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl O -","- C22 H21 Cl O -","- C88 H84 Cl4 O4 -","4","2","","Denton, Justin R.; Davies, Huw M. L.","Enantioselective reactions of donor/acceptor carbenoids derived from alpha-aryl-alpha-diazoketones.","Organic letters","2009","11","4","787","790","10.1021/ol802614j","","","0.71073","MoKα","","0.0498","0.0342","","","0.0816","0.0899","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503758","9.3395","0.0005","10.0113","0.0006","26.2699","0.0015","90","","95.589","0.003","90","","2444.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H67 N5 O5 -","- C55 H67 N5 O5 -","- C110 H134 N10 O10 -","2","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0569","0.0409","","","0.0888","0.0962","","","","","","1.004","","","","has coordinates","287880","2023-11-30","10:41:12",""
"1503759","7.2454","0.0005","10.8673","0.0006","13.585","0.0009","90","","93.327","0.004","90","","1067.85","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0443","0.0359","","","0.0874","0.0927","","","","","","1.052","","","","has coordinates","287880","2023-11-30","10:41:15",""
"1503763","5.996","0.002","24.823","0.009","12.835","0.005","90","","102.088","0.006","90","","1868","1.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 Br O3 -","- C21 H21 Br O3 -","- C84 H84 Br4 O12 -","4","2","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.3614","0.0644","","","0.1063","0.1368","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503787","6.5763","0.0001","7.6247","0.0001","21.0655","0.0003","90","","98.511","0.001","90","","1044.64","0.03","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","RSK-VI-047","(R)-tert-Butyl 1-(3-Bromophenyl)-7-methoxy-3,4-dihydro-1H- pyrido[3,4-b]indole-2(9H)-carboxylate","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C46 H50 Br2 N4 O6 -","2","1","","Klausen, Rebekka S.; Jacobsen, Eric N.","Weak Brønsted acid-thiourea co-catalysis: enantioselective, catalytic protio-Pictet-Spengler reactions.","Organic letters","2009","11","4","887","890","10.1021/ol802887h","","","0.71073","MoKα","","0.0537","0.0396","","","0.0981","0.104","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503792","13.203","0.003","12.335","0.003","20.643","0.004","90","","100.89","0.03","90","","3301.4","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H76 N2 O18 S4 -","- C66 H76 N2 O18 S4 -","- C132 H152 N4 O36 S8 -","2","1","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0832","0.0704","","","0.1838","0.1918","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503794","6.121","0.005","34.927","0.005","8.13","0.005","90","0.005","95.221","0.005","90","0.005","1730.9","1.8","293","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","2","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.7107","MoKα","","0.0994","0.0668","","","0.1516","0.1655","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503800","17.6345","0.001","19.8515","0.0012","19.6951","0.0011","90","","93.955","0.003","90","","6878.3","0.7","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Cbz-{(1S,3S)-Ac5cOM}8-OMe","","","- C65 H101 N8 O21.5 -","- C65 H101 N8 O21.5 -","- C260 H404 N32 O86 -","4","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71073","MoKα","","0.1187","0.0568","","","0.1317","0.1436","","","","","","0.8","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503801","11.742","0.009","19.072","0.015","23.416","0.018","90","","92.844","0.012","90","","5237","7","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Cbz-{(1R,3S)-Ac5cOM}6-OMe","","","- C51 H76 N6 O15 -","- C51 H76 N6 O15 -","- C204 H304 N24 O60 -","4","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71073","MoKα","","0.1146","0.0996","","","0.2711","0.2888","","","","","","1.36","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503804","7.6675","0.0003","9.3748","0.0003","10.1892","0.0004","90","","95.618","0.002","90","","728.89","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O3 -","- C15 H18 N4 O3 -","- C30 H36 N8 O6 -","2","1","","Liu, Gang; Romo, Daniel","Enantioselective synthesis of schulzeines B and C via a beta-lactone-derived surrogate for bishomoserine aldehyde.","Organic letters","2009","11","5","1143","1146","10.1021/ol802992m","","","1.54178","CuKα","","0.0427","0.0422","","","0.101","0.1021","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503805","18.044","0.005","5.7815","0.0015","19.613","0.005","90","","106.439","0.011","90","","1962.4","0.9","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H45 Br3 O8 -","- C39 H45 Br3 O8 -","- C78 H90 Br6 O16 -","2","1","","Liu, Gang; Romo, Daniel","Enantioselective synthesis of schulzeines B and C via a beta-lactone-derived surrogate for bishomoserine aldehyde.","Organic letters","2009","11","5","1143","1146","10.1021/ol802992m","","","1.54178","CuKα","","0.1657","0.075","","","0.1398","0.1677","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503811","7.1643","0.0008","10.625","0.0012","9.4329","0.0011","90","","97.123","0.001","90","","712.5","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","He, Juan; Chen, Xuan-Qin; Li, Ming-Ming; Zhao, Yu; Xu, Gang; Cheng, Xiao; Peng, Li-Yan; Xie, Min-Jin; Zheng, Yong-Tang; Wang, Yi-Ping; Zhao, Qin-Shi","Lycojapodine A, a novel alkaloid from Lycopodium japonicum.","Organic letters","2009","11","6","1397","1400","10.1021/ol900079t","","","0.71073","MoKα","","0.043","0.0377","","","0.088","0.0925","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503820","9.5546","0.0018","7.0091","0.0012","10.142","0.002","90","","111.6","0.003","90","","631.5","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Jo, Hyunil; Fitzgerald, Mark E.; Winkler, Jeffrey D.","An unusual pathway to cyclobutane formation via desulfurative intramolecular photocycloaddition of an enone benzothiazoline pair.","Organic letters","2009","11","8","1685","1687","10.1021/ol900186y","","","0.71073","MoKα","","0.0358","0.0342","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503827","7.5881","0.0001","12.1836","0.0001","8.3715","0.0001","90","","111.943","0.001","90","","717.88","0.015","423","2","423","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-dimethyl 2-nitro-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate","","- C13 H12 N2 O8 -","- C13 H12 N2 O8 -","- C26 H24 N4 O16 -","2","1","","Xuan, Yi-Ning; Nie, Shao-Zhen; Dong, Li-Ting; Zhang, Jun-Min; Yan, Ming","Highly enantioselective synthesis of nitrocyclopropanes via organocatalytic conjugate addition of bromomalonate to alpha,beta-unsaturated nitroalkenes.","Organic letters","2009","11","7","1583","1586","10.1021/ol900227j","","","1.54178","CuKα","","0.0241","0.023","","","0.0593","0.0625","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503841","8.7885","0.0007","5.201","0.0005","23.5047","0.0019","90","","98.753","0.005","90","","1061.86","0.16","228","2","228","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H18 Br Cl N2 O4 -","- C23 H18 Br Cl N2 O4 -","- C46 H36 Br2 Cl2 N4 O8 -","2","1","","Zu, Liansuo; Zhang, Shilei; Xie, Hexin; Wang, Wei","Catalytic asymmetric oxa-Michael-Michael cascade for facile construction of chiral chromans via an aminal intermediate.","Organic letters","2009","11","7","1627","1630","10.1021/ol9003433","","","0.71073","MoKα","","0.0932","0.042","","","0.0871","0.1022","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503864","13.216","0.0012","6.0877","0.0003","16.8483","0.0016","90","","103.51","0.003","90","","1318.02","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N2 O5 -","- C29 H36 N2 O5 -","- C58 H72 N4 O10 -","2","1","","Ghosh, Arun K.; Xu, Chun-Xiao","A convergent synthesis of the proposed structure of antitumor depsipeptide stereocalpin A.","Organic letters","2009","11","9","1963","1966","10.1021/ol900412u","","","0.71073","MO-Kα","","0.06","0.041","","","0.076","0.083","","","","","","1.02","","","","has coordinates","288193","2023-12-08","17:12:22",""
"1503870","5.2823","0.0002","15.4651","0.0006","13.0625","0.0005","90","","100.723","0.0004","90","","1048.46","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O2 -","- C23 H35 N O2 -","- C46 H70 N2 O4 -","2","1","","Buchner, Kay M.; Clark, Timothy B.; Loy, Janice M. N.; Nguyen, Thong X.; Woerpel, K. A.","Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.","Organic letters","2009","11","10","2173","2175","10.1021/ol900456v","","","0.71073","MoKα","","0.0319","0.0303","","","0.0786","0.0798","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1503872","6.708","0.002","9.888","0.003","11.794","0.004","90","","102.551","0.015","90","","763.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Hong, Liang; Liu, Chunxia; Sun, Wangsheng; Wang, Lei; Wong, Kwokyin; Wang, Rui","Organocatalytic enantioselective Friedel-Crafts alkylation of 4,7-dihydroindoles with alpha,beta-unsaturated aldehydes: an easy access to 2-substituted indoles.","Organic letters","2009","11","10","2177","2180","10.1021/ol900461v","","","0.71073","MoKα","","0.0741","0.0393","","","0.0835","0.0946","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503876","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503890","15.8842","0.0003","8.8279","0.0002","18.5716","0.0004","90","","95.747","0.001","90","","2591.1","0.09","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 O6 -","- C29 H32 Cl2 O6 -","- C116 H128 Cl8 O24 -","4","2","","Chebny, Vincent J.; Navale, Tushar S.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","X-ray structural characterization of charge delocalization onto the three equivalent benzenoid rings in hexamethoxytriptycene cation radical.","Organic letters","2009","11","11","2253","2256","10.1021/ol900558s","","","1.54178","CuKα","","0.0497","0.0485","","","0.1349","0.1361","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503898","11.0654","0.001","7.8055","0.0007","14.9411","0.0013","90","","99.899","0.002","90","","1271.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N4 O2.5 -","- C12 H19 N4 O2.5 -","- C48 H76 N16 O10 -","4","2","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0322","0.0307","","","0.0821","0.0838","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503925","9.2806","0.0006","9.818","0.0006","25.3589","0.0016","90","","90.301","0.002","90","","2310.6","0.3","100","2","100","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl- 7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane- 2-carboxylic acid benzhydryl ester","","","- C24 H26 Br N O4 S -","- C24 H26 Br N O4 S -","- C96 H104 Br4 N4 O16 S4 -","4","2","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0217","0.0216","","","0.0529","0.053","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503935","13.1001","0.001","10.7849","0.0008","13.7862","0.0011","90","","93.266","0.001","90","","1944.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","2","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0529","0.0436","","","0.1169","0.1268","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503959","9.5388","0.0006","14.56","0.001","10.9484","0.0007","90","","109.057","0.004","90","","1437.23","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 F6 N2 O3 -","- C31 H30 F6 N2 O3 -","- C62 H60 F12 N4 O6 -","2","1","","Wen, Yuehong; Zhao, Baoguo; Shi, Yian","Cu(I)-catalyzed diamination of disubstituted terminal olefins: an approach to potent NK1 antagonist.","Organic letters","2009","11","11","2365","2368","10.1021/ol900808z","","","0.71073","MoKα","","0.1293","0.0562","","","0.1185","0.1478","","","","","","0.967","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503978","7.9756","0.0013","12.987","0.002","11.917","0.002","90","","95.938","0.009","90","","1227.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-[4-Iso-propyl-3-(toluene-4-sulfonyl)-2 -(toluene-4-sulfonylmethylene)-3,4-dihydro-2H-benzo [e][1,3]thiazine","","- C26 H27 N O4 S3 -","- C26 H27 N O4 S3 -","- C52 H54 N2 O8 S6 -","2","1","","Spitz, Cédric; Lohier, Jean-François; Reboul, Vincent; Metzner, Patrick","Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides.","Organic letters","2009","11","13","2776","2779","10.1021/ol9009333","","","0.71073","MoKα","","0.0367","0.034","","","0.096","0.0977","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504004","9.082","0.007","11.525","0.015","10.141","0.008","90","","104.82","0.07","90","","1026.1","1.8","298","2","298","2","101.3","","","","","","","4","P 1 21 1","P 2yb","4","endo-6a","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C44 H54 N2 O10 -","2","1","","Gallier, Florian; Hussain, Hidayat; Martel, Arnaud; Kirschning, Andreas; Dujardin, Gilles","Hetero-Diels-Alder reactions of cyclic ketone derived enamide. A new and efficient concept for the asymmetric Robinson annulation.","Organic letters","2009","11","14","3060","3063","10.1021/ol901065e","","","0.71069","MoKα","","0.216","0.0772","","","0.1588","0.2062","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504017","8.94","0.002","10.89","0.003","10.079","0.003","90","0.001","95.4352","0.001","90","0.001","976.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C56 H40 O4 -","2","1","","Zhang, Hongyu; Karasawa, Takashi; Yamada, Hiroshi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Intramolecular reductive double cyclization of o,o'-bis(arylcarbonyl)diphenylacetylenes: synthesis of ladder pi-conjugated skeletons.","Organic letters","2009","11","14","3076","3079","10.1021/ol901148p","","","0.7107","MoKα","","0.0407","0.0359","","","0.0779","0.0804","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504023","10.8791","0.0002","9.4754","0.0002","18.4279","0.0004","90","","99.751","0.002","90","","1872.17","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-tiemonium iodide","","","- C18 H24 I N O2 S -","- C18 H24 I N O2 S -","- C72 H96 I4 N4 O8 S4 -","4","2","","Biradar, Deepak B.; Zhou, Shuangliu; Gau, Han-Mou","Direct asymmetric catalytic thienylaluminum addition to ketones: a concise approach to the synthesis of (S)-tiemonium iodide.","Organic letters","2009","11","15","3386","3389","10.1021/ol901193q","","","0.71073","MoKα","","0.027","0.0232","","","0.0469","0.0474","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504028","8.361","0.0004","8.6154","0.0003","12.8252","0.0005","90","","97.499","0.002","90","","915.94","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A","Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.","Organic letters","2009","11","15","3362","3365","10.1021/ol901201k","","","0.71073","MoKα","","0.0409","0.0367","","","0.0929","0.0957","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504029","10.6456","0.0005","8.2771","0.0003","13.6743","0.0006","90","","96.302","0.002","90","","1197.63","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H25 Br F N O3 -","- C29 H25 Br F N O3 -","- C58 H50 Br2 F2 N2 O6 -","2","1","","Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A","Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.","Organic letters","2009","11","15","3362","3365","10.1021/ol901201k","","","0.71073","MoKα","","0.0448","0.0316","","","0.0529","0.0566","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504031","8.5555","0.0006","7.8352","0.0008","9.566","0.0008","90","","100.67","0.005","90","","630.16","0.09","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C30 H34 N2 O4 -","2","1","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0492","0.0423","","","0.1031","0.1073","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504045","6.2698","0.0013","7.4785","0.0015","17.432","0.004","90","","95.01","0.03","90","","814.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl F3 O2 -","- C18 H14 Cl F3 O2 -","- C36 H28 Cl2 F6 O4 -","2","1","","Wang, Xiao-Na; Shao, Pan-Lin; Lv, Hui; Ye, Song","Enantioselective synthesis of beta-trifluoromethyl-beta-lactones via NHC-catalyzed ketene-ketone cycloaddition reactions.","Organic letters","2009","11","18","4029","4031","10.1021/ol901290z","","","0.71073","MoKα","","0.041","0.0376","","","0.0845","0.0868","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504050","7.912","0.002","7.392","0.001","14.05","0.003","90","","104.92","0.02","90","","794","0.3","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N3 O3 -","- C18 H15 N3 O3 -","- C36 H30 N6 O6 -","2","1","","Li, Guo-You; Yang, Tao; Luo, Ying-Gang; Chen, Xiao-Zhen; Fang, Dong-Mei; Zhang, Guo-Lin","Brevianamide J, a new indole alkaloid dimer from fungus Aspergillus versicolor.","Organic letters","2009","11","16","3714","3717","10.1021/ol901304y","","","0.71073","MoKα","","0.0484","0.0365","","","0.0889","0.0925","","","","","","1.003","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504073","5.8503","0.0012","8.4929","0.0017","10.957","0.002","90","","95.88","0.03","90","","541.55","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N O S -","- C13 H11 N O S -","- C26 H22 N2 O2 S2 -","2","1","","Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.","Organic letters","2009","11","17","3874","3877","10.1021/ol901405r","","","0.71073","MoKα","","0.0591","0.0444","","","0.0921","0.1142","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504110","8.0368","0.0006","16.0616","0.0011","11.7596","0.0008","90","","100.562","0.006","90","","1492.26","0.18","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H50 N8 O16 -","- C22 H50 N8 O16 -","- C44 H100 N16 O32 -","2","1","","Semakin, Artem N.; Sukhorukov, Alexey Yu; Lesiv, Alexey V.; Ioffe, Sema L.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.","Unusual intramolecular cyclization of tris(beta-oximinoalkyl)amines. the first synthesis of 1,4,6,10-tetraazaadamantanes.","Organic letters","2009","11","18","4072","4075","10.1021/ol9015157","","","0.71073","MoKα","","0.0611","0.0475","","","0.1105","0.1183","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504114","6.797","0.0003","27.1487","0.0012","10.6266","0.0005","90","","100.197","0.003","90","","1929.95","0.15","150","2","150","2","","","","","","","Claire Oswald","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl2 O2 -","- C24 H18 Cl2 O2 -","- C96 H72 Cl8 O8 -","4","2","","Oswald, Claire L.; Peterson, Justine A.; Lam, Hon Wai","Enantioselective copper-catalyzed reductive Michael cyclizations.","Organic letters","2009","11","20","4504","4507","10.1021/ol901560r","","","0.71073","MoKα","","0.0496","0.0459","","","0.1009","0.1027","","","","","","1.109","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504120","12.7746","0.0009","5.8697","0.0004","16.037","0.0011","90","","102.412","0.004","90","","1174.4","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O4 S -","- C27 H23 N O4 S -","- C54 H46 N2 O8 S2 -","2","1","","Lu, Hai-Hua; Zhang, Fu-Gen; Meng, Xiang-Gao; Duan, Shu-Wen; Xiao, Wen-Jing","Enantioselective Michael reactions of beta, beta-disubstituted nitroalkenes: a new approach to beta(2,2)-amino acids with hetero-quaternary stereocenters.","Organic letters","2009","11","17","3946","3949","10.1021/ol901572x","","","0.71073","MoKα","","0.0547","0.0456","","","0.1125","0.1178","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504128","12.7151","0.0003","8.5294","0.0003","17.2463","0.0005","90","","108.811","0.002","90","","1770.5","0.09","117","2","117","2","","","","","","","","4","P 1 21 1","P 2yb","4","Leucophylline","","","- C42 H52 N4 O3 -","- C42 H52 N4 O3 -","- C84 H104 N8 O6 -","2","1","","Gan, Chew-Yan; Robinson, Ward T.; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok","Leucophyllidine, a cytotoxic bisindole alkaloid constituted from the union of an eburnan and a new vinylquinoline alkaloid.","Organic letters","2009","11","17","3962","3965","10.1021/ol9016172","","","0.71073","MoKα","","0.0583","0.0489","","","0.13","0.1375","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504148","10.5484","0.0005","8.7351","0.0004","10.6236","0.0006","90","","114.794","0.001","90","","888.64","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 Cl2 O -","- C22 H18 Cl2 O -","- C44 H36 Cl4 O2 -","2","1","","Ji, Yining; Riera, Antoni; Verdaguer, Xavier","Asymmetric intermolecular Pauson-Khand reaction of symmetrically substituted alkynes.","Organic letters","2009","11","19","4346","4349","10.1021/ol901728r","","","0.71073","MoKα","","0.0372","0.036","","","0.1039","0.1052","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504180","6.547","0.002","10.892","0.003","12.418","0.004","90","","103.542","0.004","90","","860.9","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Geng, Chang-An; Zhang, Xue-Mei; Shen, Yong; Zuo, Ai-Xue; Liu, Ji-Feng; Ma, Yun-Bao; Luo, Jie; Zhou, Jun; Jiang, Zhi-yong; Chen, Ji-Jun","Swerilactones C and D, anti-HBV new lactones from a traditional Chinese herb: Swertia mileensis.","Organic letters","2009","11","21","4838","4841","10.1021/ol901881w","","","0.71073","MoKα","","0.1794","0.0681","","","0.1487","0.2244","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504196","7.6288","0.001","5.445","0.0008","11.5547","0.0014","90","","91.844","0.01","90","","479.72","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 O3 S -","- C9 H12 O3 S -","- C18 H24 O6 S2 -","2","1","","Majer, Jakub; Kwiatkowski, Piotr; Jurczak, Janusz","Highly enantioselective Friedel-Crafts reaction of thiophenes with glyoxylates: formal synthesis of duloxetine.","Organic letters","2009","11","20","4636","4639","10.1021/ol901906r","","","0.71073","MoKα","","0.0175","0.0173","","","0.048","0.0481","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504198","7.715","0.003","15.086","0.005","9.295","0.003","90","","96.54","0.03","90","","1074.8","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C44 H54 N2 O14 -","2","1","","Balthaser, Bradley R.; McDonald, Frank E.","Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.","Organic letters","2009","11","21","4850","4853","10.1021/ol901923x","","","1.54178","CuKα","","0.0403","0.0352","","","0.0877","0.0926","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504199","13.2879","0.0005","9.2997","0.0004","17.411","0.0007","90","","100.194","0.002","90","","2117.57","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C88 H108 N4 O28 -","4","2","","Balthaser, Bradley R.; McDonald, Frank E.","Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.","Organic letters","2009","11","21","4850","4853","10.1021/ol901923x","","","1.54178","CuKα","","0.0483","0.0481","","","0.1147","0.1152","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504210","10.185","0.003","8.74","0.003","12.189","0.004","90","","112.29","0.004","90","","1003.9","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C46 H44 Cl2 N2 O6 -","2","1","","Han, Bo; Xiao, You-Cai; He, Zhao-Quan; Chen, Ying-Chun","Asymmetric Michael addition of gamma,gamma-disubstituted alpha,beta-unsaturated aldehydes to nitroolefins via dienamine catalysis.","Organic letters","2009","11","20","4660","4663","10.1021/ol901939b","","","0.71073","MoKα","","0.0446","0.0336","","","0.07","0.0855","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504223","11.9221","0.0004","10.8903","0.0006","16.4113","0.0008","90","","105.351","0.003","90","","2054.74","0.17","150","1","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O5 S -","- C20 H28 N2 O5 S -","- C80 H112 N8 O20 S4 -","4","2","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.103","0.0551","","","0.1143","0.1379","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504225","7.8477","0.0004","11.5372","0.0005","10.5434","0.0005","90","","108.089","0.003","90","","907.42","0.08","150","1","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C42 H46 N2 O8 S2 -","2","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0905","0.0527","","","0.1085","0.1286","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504227","5.9876","0.0005","7.3491","0.0003","19.9858","0.0018","90","","97.689","0.003","90","","871.54","0.11","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 O2 Si -","- C18 H26 O2 Si -","- C36 H52 O4 Si2 -","2","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0724","0.0555","","","0.1285","0.1405","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504233","10.3654","0.0005","10.9898","0.0005","10.6563","0.0005","90","","104.714","0.002","90","","1174.09","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N O4 S -","- C25 H32 N O4 S -","- C50 H64 N2 O8 S2 -","2","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0946","0.0599","","","0.1248","0.1453","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504234","6.7635","0.0011","13.1016","0.0023","9.4936","0.0016","90","","99.898","0.014","90","","828.7","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C36 H52 O6 -","2","1","","Tseng, Yen-Ju; Wen, Zhi-Hong; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Nanolobatolide, a new C18 metabolite from the Formosan soft coral Sinularia nanolobata.","Organic letters","2009","11","21","5030","5032","10.1021/ol901990c","","","0.71073","MoKα","","0.0844","0.0368","","","0.0883","0.1045","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504241","11.0848","0.0004","8.9222","0.0003","11.2461","0.0004","90","","116.209","0.002","90","","997.9","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 O3 S -","- C23 H28 O3 S -","- C46 H56 O6 S2 -","2","1","","Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen; Colobert, Françoise","Stereocontrolled generation of the (2R) chroman core of vitamin E: total synthesis of (2R,4'RS,8'RS)-alpha-tocopherol.","Organic letters","2009","11","21","4930","4933","10.1021/ol9020783","","","1.54178","CuKα","","0.0297","0.0291","","","0.0751","0.0758","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504243","15.8","0.005","5.833","0.005","18.339","0.005","90","0.005","99.491","0.005","90","0.005","1667","1.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H27 Br Cl3 N O6 -","- C35 H27 Br Cl3 N O6 -","- C70 H54 Br2 Cl6 N2 O12 -","2","1","","Yu, Jie; He, Long; Chen, Xiao-Hua; Song, Jin; Chen, Wei-Jie; Gong, Liu-Zhu","Highly enantioselective catalytic 1,3-dipolar cycloaddition involving 2,3-allenoate dipolarophiles.","Organic letters","2009","11","21","4946","4949","10.1021/ol9020964","","","1.54184","CuKα","","0.0507","0.0312","","","0.0596","0.0652","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504266","12.2127","0.001","6.0204","0.0005","13.4972","0.0011","90","","112.925","0.001","90","","914","0.13","298","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C42 H42 N2 O8 -","2","1","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0958","0.0779","","","0.1694","0.185","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504288","5.0129","0.0002","8.5049","0.0003","15.8364","0.0006","90","","93.115","0.002","90","","674.17","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C30 H32 O8 -","2","1","","Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.","Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.","Organic letters","2009","11","23","5466","5469","10.1021/ol902301h","","","0.71073","MoKα","","0.0408","0.0329","","","0.0697","0.0734","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504295","9.712","0.002","20.705","0.004","9.816","0.002","90","","108.77","0.02","90","","1868.9","0.7","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16.5 H19 Cl3 N2 O Pd -","- C16.5 H19 Cl3 N2 O Pd -","- C66 H76 Cl12 N8 O4 Pd4 -","4","2","","He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization.","Organic letters","2009","11","24","5626","5628","10.1021/ol902348t","","","0.71073","MoKα","","0.0364","0.0349","","","0.0866","0.0874","","","","","","1.104","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504296","6.872","0.004","9.187","0.005","15.595","0.009","90","","97.384","0.009","90","","976.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C40 H58 N2 O6 -","2","1","","Wang, Xia-Chang; Zheng, Zong-Ping; Gan, Xian-Wen; Hu, Li-Hong","Jatrophalactam, a novel diterpenoid lactam isolated from Jatropha curcas.","Organic letters","2009","11","23","5522","5524","10.1021/ol902349f","","","0.71073","MoKα","","0.1238","0.0702","","","0.1766","0.199","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504305","9.293","0.0019","8.065","0.0016","11.846","0.002","90","","92.98","0.03","90","","886.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","McGarraugh, Patrick G.; Brenner, Stacey E.","A new organocatalyzed Michael-Michael cascade reaction generates highly substituted fused carbocycles.","Organic letters","2009","11","24","5654","5657","10.1021/ol9024293","","","0.71073","MoKα","","0.0363","0.0331","","","0.0798","0.0817","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504346","10.3558","0.0002","6.8232","0.0001","14.7816","0.0003","90","","94.469","0.001","90","","1041.29","0.03","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","WAY-214,050-A-1 [ I-13233-115-2 ]","1-[(1R)-1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexanol Dihydrochloride","","- C19 H31 Cl3 N2 O -","- C19 H31 Cl3 N2 O -","- C38 H62 Cl6 N4 O2 -","2","1","","Mahaney, Paige E.; Gavrin, Lori K.; Trybulski, Eugene J.; Stack, Gary P.; Vu, T. An; Cohn, Stephen T.; Ye, Fei; Belardi, Justin K.; Santilli, Arthur A.; Sabatucci, Joseph P.; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Leventhal, Liza; Koury, Elizabeth J.; Zhang, Yingru; Mugford, Cheryl A.; Ho, Douglas M.; Rosenzweig-Lipson, Sharon J; Platt, Brian; Smith, Valerie A.; Deecher, Darlene C.","Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors.","Journal of medicinal chemistry","2008","51","13","4038","4049","10.1021/jm8002262","","","0.71073","MoKα","","0.0665","0.0484","","0.0906","0.0832","","","","1.079","1.099","1.099","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504356","7.815","0.0002","22.2685","0.0006","8.2607","0.0002","90","","102.73","0.0015","90","","1402.26","0.06","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 N2 -","- C15 H22 N2 -","- C60 H88 N8 -","4","2","","Druzhinin, Sergey I.; Dubbaka, Srinivas Reddy; Knochel, Paul; Kovalenko, Sergey A.; Mayer, Peter; Senyushkina, Tamara; Zachariasse, Klaas A.","Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile.","The journal of physical chemistry. A","2008","112","13","2749","2761","10.1021/jp7097526","","","0.71073","MoKα","","0.0603","0.0404","","","0.0912","0.1014","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504387","11.67891","0.00025","21.3027","0.0004","20.2268","0.0005","90","","93.4268","0.0021","90","","5023.27","0.19","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O14 -","- C21 H28 O14 -","- C168 H224 O112 -","8","4","","Côte, Marie; Hughes, Colan E.; Austin, Talbir K.; Rogueda, Philippe G. A.; Pan, Zhigang; Harris, Kenneth D. M.; Griffiths, Peter C.","Characterization of a Polymorphic System Exhibiting Substantial Variation of Solubility in a Fluorinated Solvent","Journal of Physical Chemistry C","2008","112","37","14570","","10.1021/jp800848w","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504445","7.544","0.001","6.066","0.001","20.579","0.001","90","","99.92","0.04","90","","927.7","0.2","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C40 H60 O10 -","2","1","","Yan, Ren-Yi; Tan, Yong-Xia; Cui, Xi-Qiang; Chen, Ruo-Yun; Yu, De-Quan","Diterpenoids from the roots of Suregada glomerulata.","Journal of natural products","2008","71","2","195","198","10.1021/np0705211","","","0.71073","MoKα","","0.089","0.0888","","","0.2068","0.207","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504450","10.1863","0.0005","14.2352","0.001","14.5801","0.0008","90","","97.652","0.004","90","","2095.3","0.2","298","","","","","","","","","","Phyllanthus acutissima","4","P 1 21 1","P 2yb","4","","","","- C47 H55 Br O10 -","- C47 H55 Br O10 -","- C94 H110 Br2 O20 -","2","1","","Tuchinda, Patoomratana; Kornsakulkarn, Jittra; Pohmakotr, Manat; Kongsaeree, Palangpon; Prabpai, Samran; Yoosook, Chalobon; Kasisit, Jitra; Napaswad, Chanita; Sophasan, Samaisukh; Reutrakul, Vichai","Dichapetalin-type triterpenoids and lignans from the aerial parts of Phyllanthus acutissima.","Journal of natural products","2008","71","4","655","663","10.1021/np7007347","","","0.71073","MoKα","","0.0611","0.0459","","","0.1136","0.1289","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504453","6.9588","0.0017","12.409","0.003","18.863","0.004","90","","90","0.02","90","","1628.9","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O5 -","- C37 H45 N O5 -","- C74 H90 N2 O10 -","2","1","","Yang, Cheng-Hui; Cheng, Ming-Jen; Chiang, Michael Y.; Kuo, Yueh-Hsiung; Wang, Chyi-Jia; Chen, Ih-Sheng","Dihydrobenzo[c]phenanthridine alkaloids from stem bark of Zanthoxylum nitidum.","Journal of natural products","2008","71","4","669","673","10.1021/np700745f","","","0.71073","MoKα","","0.2198","0.0466","","","0.1113","0.1645","","","","","","0.927","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504454","4.899","0.001","14.244","0.001","10.241","0.001","90","","92.81","0.01","90","","713.77","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-(4,6-dihydroxy-2-cyclohexenyl)oxy- 6-(hydroxymethyl)cyclohexane-1,2,3-triol","","- C12 H20 O8 -","- C12 H20 O8 -","- C24 H40 O16 -","2","1","","Chai, Xing Yun; Song, Yue Lin; Xu, Zheng Ren; Shi, Hai Ming; Bai, Chang Cai; Bi, Dan; Wen, Jing; Li, Fei Fei; Tu, Peng Fei","Itosides J-N from Itoa orientalis and structure - anti-COX-2 activity relationship of phenolic glycosides.","Journal of natural products","2008","71","5","814","819","10.1021/np800014s","","","0.71073","MoKα","","0.0411","0.0402","","","0.1077","0.1097","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504464","13.4595","0.0002","6.7872","0.0001","20.1461","0.0003","90","","104.785","0.001","90","","1779.46","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H60 O10 -","- C36 H62 O11 -","- C72 H124 O22 -","2","1","","Fu, Xiang; Li, Xing-Cong; Smillie, Troy J.; Carvalho, Paulo; Mabusela, Wilfred; Syce, James; Johnson, Quinton; Folk, William; Avery, Mitchell A.; Khan, Ikhlas A.","Cycloartane glycosides from Sutherlandia frutescens.","Journal of natural products","2008","71","10","1749","1753","10.1021/np800328r","","","1.54178","CuKα","","0.0669","0.0442","","","0.084","0.0911","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504466","9.2866","0.0014","12.216","0.002","9.8166","0.0012","90","","105.172","0.011","90","","1074.8","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Lu, Yi; Huang, Chiung-Yao; Lin, Yu-Fang; Wen, Zhi-Hong; Su, Jui-Hsin; Kuo, Yao-Haur; Chiang, Michael Y.; Sheu, Jyh-Horng","Anti-inflammatory cembranoids from the soft corals Sinularia querciformis and Sinularia granosa.","Journal of natural products","2008","71","10","1754","1759","10.1021/np8003563","","","0.71073","MoKα","","0.0465","0.0364","","","0.0932","0.0995","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504468","8.0031","0.0004","17.5926","0.0006","10.8678","0.0006","90","","107.005","0.005","90","","1463.24","0.13","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","2","","Opatz, Till; Kolshorn, Heinz; Thines, Eckhard; Anke, Heidrun","Ascomycones A-C, heptaketide metabolites from an unidentified ascomycete.","Journal of natural products","2008","71","11","1973","1976","10.1021/np800570w","","","1.54178","CuKα","","0.1242","0.0814","","","0.2312","0.2763","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504473","8.5681","0.0008","9.8276","0.0009","9.9822","0.001","90","","96.726","0.002","90","","834.75","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","07010","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","Burns, Aaron C.; Forsyth, Craig J.","Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.","Organic letters","2008","10","1","97","100","10.1021/ol7024058","","","0.71073","MoKα","","0.0393","0.0358","","","0.0966","0.101","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504506","8.053","0.0016","13.987","0.003","9.301","0.0019","90","","95.53","0.03","90","","1042.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O3 -","- C22 H24 Cl N O3 -","- C44 H48 Cl2 N2 O6 -","2","1","","Zhang, Yan-Rong; He, Lin; Wu, Xu; Shao, Pan-Lin; Ye, Song","Chiral N-heterocyclic carbene catalyzed staudinger reaction of ketenes with imines: highly enantioselective synthesis of N-Boc beta-lactams.","Organic letters","2008","10","2","277","280","10.1021/ol702759b","","","0.71069","MoKα","","0.047","0.0411","","","0.108","0.1116","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504510","18.6667","0.0001","8.2209","0.0001","18.7079","0.0001","90","","104.9","0.0006","90","","2774.33","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 N O2 P -","- C32 H36 N O2 P -","- C128 H144 N4 O8 P4 -","4","2","","Burgos, Pascual Oña; Fernández, Ignacio; Iglesias, María José; García-Granda, Santiago; Ortiz, Fernando López","Phosphinamide-directed benzylic lithiation. Application to the synthesis of peptide building blocks.","Organic letters","2008","10","4","537","540","10.1021/ol7028096","","","1.5418","CuKα","","0.0355","0.0309","","","0.078","0.0836","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504519","10.1636","0.0002","12.53","0.0002","26.5187","0.0005","90","","98.639","0.001","90","","3338.84","0.11","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 B Cl N3 P -","- C35 H46 B Cl N3 P -","- C140 H184 B4 Cl4 N12 P4 -","4","2","","Busacca, Carl A.; Lorenz, Jon C.; Grinberg, Nelu; Haddad, Nizar; Lee, Heewon; Li, Zhibin; Liang, Mary; Reeves, Diana; Saha, Anjan; Varsolona, Rich; Senanayake, Chris H.","Asymmetric hydrogenation of unsaturated ureas with the BIPI ligands.","Organic letters","2008","10","2","341","344","10.1021/ol7028542","","","1.54187","CuKα","","0.0313","0.0304","","","0.082","0.0824","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504523","8.4058","0.0002","10.1945","0.0004","12.1967","0.0004","90","","106.558","0.002","90","","1001.83","0.06","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","BMC-J-40","BMC-J-40","","- C21 H26 N2 O4 S -","- C21 H26 N2 O4 S -","- C42 H52 N4 O8 S2 -","2","1","","Cochran, Brian M.; Michael, Forrest E.","Synthesis of 2,6-disubstituted piperazines by a diastereoselective palladium-catalyzed hydroamination reaction.","Organic letters","2008","10","2","329","332","10.1021/ol702891p","","","0.71073","MoKα","","0.0645","0.0441","","","0.1099","0.1181","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504543","8.1224","0.0002","11.7357","0.0003","14.3728","0.0003","90","","99.554","0.001","90","","1351.04","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N3 O3 -","- C32 H33 N3 O3 -","- C64 H66 N6 O6 -","2","1","","Fridkin, Gil; Lubell, William D.","2-vinylpyrroles and pyrrolo[3,2-d]pyrimidines from direct addition of aldehydes to 4-amino-pyrrole-2-carboxylate derivatives.","Organic letters","2008","10","5","849","852","10.1021/ol702994g","","","1.54178","CuKα","","0.0401","0.0313","","","0.0631","0.065","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504582","10.4896","0.0011","16.0564","0.0017","10.5043","0.0011","90","","115.511","0.002","90","","1596.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl2 N2 O2 S2 -","- C31 H34 Cl2 N2 O2 S2 -","- C62 H68 Cl4 N4 O4 S4 -","2","1","","Zhu, Chen; Shi, Yun; Xu, Ming-Hua; Lin, Guo-Qiang","An efficient and versatile approach for optical resolution of C2-symmetric axially chiral biaryl dials. Synthesis of enantiopure biaryl-derived cyclic trans-1,2-diols.","Organic letters","2008","10","6","1243","1246","10.1021/ol800122x","","","0.71073","MoKα","","0.0906","0.0551","","","0.1326","0.1545","","","","","","0.858","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504583","10.634","0.002","6.6025","0.0013","13.996","0.003","90","","109.982","0.004","90","","923.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Zhu, Chen; Shi, Yun; Xu, Ming-Hua; Lin, Guo-Qiang","An efficient and versatile approach for optical resolution of C2-symmetric axially chiral biaryl dials. Synthesis of enantiopure biaryl-derived cyclic trans-1,2-diols.","Organic letters","2008","10","6","1243","1246","10.1021/ol800122x","","","0.71073","MoKα","","0.0756","0.0526","","","0.1116","0.121","","","","","","0.862","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504610","9.319","0.0003","5.5464","0.0002","19.6979","0.0004","90","","96.756","0.002","90","","1011.05","0.05","150","","150","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N2 -","- C22 H29 Br N2 -","- C44 H58 Br2 N4 -","2","1","","Maity, Prantik; König, Burkhard","Synthesis and structure of 1,4-dipiperazino benzenes: chiral terphenyl-type peptide helix mimetics.","Organic letters","2008","10","7","1473","1476","10.1021/ol8002749","","x-ray","1.54184","CuKα","","0.0826","0.048","","","0.0879","0.0943","","","","","","0.833","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504611","14.3614","0.0004","6.9622","0.0002","14.6044","0.0004","90","","108.42","0.003","90","","1385.43","0.07","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C17 H40 Br5 N4 O4 -","- C17 H40 Br5 N4 O4 -","- C34 H80 Br10 N8 O8 -","2","1","","Maity, Prantik; König, Burkhard","Synthesis and structure of 1,4-dipiperazino benzenes: chiral terphenyl-type peptide helix mimetics.","Organic letters","2008","10","7","1473","1476","10.1021/ol8002749","","x-ray","1.54184","CuKα","","0.0421","0.0339","","","0.0739","0.0756","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504613","6.779","0.0003","6.6026","0.0003","13.2443","0.0006","90","","91.483","0.002","90","","592.6","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 Cl2 N4 O2 -","- C8 H16 Cl2 N4 O2 -","- C16 H32 Cl4 N8 O4 -","2","1","","Oliva, Ana I.; Christmann, Ute; Font, Daniel; Cuevas, Félix; Ballester, Pablo; Buschmann, Helmut; Torrens, Antoni; Yenes, Susana; Pericàs, Miquel A","Intramolecular azide-alkyne cycloaddition for the fast assembly of structurally diverse, tricyclic 1,2,3-triazoles.","Organic letters","2008","10","8","1617","1619","10.1021/ol800291t","","","0.71073","MoKα","","0.0405","0.039","","","0.107","0.1079","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504638","12.519","0.002","10.3339","0.0017","19.227","0.003","90","","94.307","0.009","90","","2480.4","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 I2 O6 -","- C22 H28 I2 O6 -","- C88 H112 I8 O24 -","4","2","","Zhang, Weidong; Baranczak, Aleksandra; Sulikowski, Gary A.","Stereocontrolled assembly of the C3/C3' dideoxy core of lomaiviticin A/B and congeners.","Organic letters","2008","10","10","1939","1941","10.1021/ol800460a","","","0.71073","MoKα","","0.0394","0.0334","","","0.0628","0.0649","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504640","10.5143","0.0013","23.392","0.003","10.5182","0.0013","90","","106.571","0.002","90","","2479.5","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O -","- C34 H28 O -","- C136 H112 O4 -","4","2","","Lu, Jian-Mei; Shi, Min","LDA-mediated selective addition reaction of vinylidenecyclopropanes with aldehydes, ketones, and enones: facile synthesis of vinylcyclopropenes, allenols, and 1,3-enynes.","Organic letters","2008","10","10","1943","1946","10.1021/ol800463k","","","0.71073","MoKα","","0.0944","0.0638","","","0.1534","0.1687","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504674","7.5429","0.0017","12.175","0.003","18.83","0.004","90","","98.485","0.003","90","","1710.3","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H35 N3 O11 S -","- C33 H35 N3 O11 S -","- C66 H70 N6 O22 S2 -","2","1","","Deng, Haibing; Yang, Xiaobao; Tong, Zhaolong; Li, Zhong; Zhai, Hongbin","Expedient synthesis of the tetracyclic core of ent-nakadomarin A.","Organic letters","2008","10","9","1791","1793","10.1021/ol800579j","","","0.71073","MoKα","","0.072","0.0464","","","0.0853","0.0985","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504690","8.2367","0.0002","13.9546","0.0004","8.6506","0.0002","90","","107.225","0.002","90","","949.7","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Br N O6 -","- C18 H22 Br N O6 -","- C36 H44 Br2 N2 O12 -","2","1","","Tan, Bin; Chua, Pei Juan; Li, Yongxin; Zhong, Guofu","Organocatalytic asymmetric tandem Michael-Henry reactions: a highly stereoselective synthesis of multifunctionalized cyclohexanes with two quaternary stereocenters.","Organic letters","2008","10","12","2437","2440","10.1021/ol8007183","","","0.71073","MoKα","","0.0388","0.0283","","","0.0608","0.0642","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504695","14.01","0.004","6.504","0.002","14.749","0.005","90","","99.9391","0.0017","90","","1323.8","0.7","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 Br O3 S2 -","- C29.5 H21 Br O3 S2 -","- C59 H42 Br2 O6 S4 -","2","1","","Nakamura, Itaru; Sato, Takuma; Terada, Masahiro; Yamamoto, Yoshinori","Chirality transfer in gold-catalyzed carbothiolation of o-alkynylphenyl 1-arylethyl sulfides.","Organic letters","2008","10","13","2649","2651","10.1021/ol8007556","","","0.7107","MoKα","","","0.0417","","","","0.1206","","","","","","0.903","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504721","10.2311","0.0002","17.311","0.0004","14.641","0.0003","90","","98.903","0.001","90","","2561.83","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 Br N4 O3 -","- C27 H31 Br N4 O3 -","- C108 H124 Br4 N16 O12 -","4","2","","Sibi, Mukund P.; Rane, Digamber; Stanley, Levi M.; Soeta, Takahiro","Copper(II)-catalyzed exo and enantioselective cycloadditions of azomethine imines.","Organic letters","2008","10","14","2971","2974","10.1021/ol800904t","","","0.71073","MoKα","","0.0575","0.0396","","","0.0762","0.0823","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504729","9.87","0.002","8.6195","0.0017","18.694","0.004","90","","91.75","0.03","90","","1589.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O5 -","- C18 H12 Br N O5 -","- C72 H48 Br4 N4 O20 -","4","2","","Zhou, Wen-Ming; Liu, Han; Du, Da-Ming","Organocatalytic highly enantioselective Michael addition of 2-hydroxy-1,4-naphthoquinones to nitroalkenes.","Organic letters","2008","10","13","2817","2820","10.1021/ol800945e","","","0.71073","MoKα","","0.0705","0.0411","","","0.1024","0.1172","","","","","","0.608","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504731","10.4863","0.0004","10.1556","0.0004","10.9469","0.0005","90","","95.391","0.002","90","","1160.63","0.08","93.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl N O6 P -","- C21 H31 Cl N O6 P -","- C42 H62 Cl2 N2 O12 P2 -","2","1","","Chen, Zhihua; Yakura, Kenichiro; Matsunaga, Shigeki; Shibasaki, Masakatsu","Direct catalytic asymmetric Mannich-type reaction of beta-keto phosphonate using a dinuclear Ni2-Schiff base complex.","Organic letters","2008","10","15","3239","3242","10.1021/ol800965t","","","1.54187","CuKα","","","0.0577","","","","0.1544","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504743","9.5271","0.0005","21.4263","0.0017","9.7891","0.0006","90","","91.402","0.004","90","","1997.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O S -","- C20 H24 Br N O S -","- C80 H96 Br4 N4 O4 S4 -","4","2","","Reddy, Leleti Rajender; Hu, Bin; Prashad, Mahavir; Prasad, Kapa","Asymmetric synthesis of homoallylic amines bearing adjacent stereogenic centers by addition of substituted allylic zinc reagents to N-tert-butanesulfinylimines.","Organic letters","2008","10","14","3109","3112","10.1021/ol800998u","","","0.71073","MO-Kα","","0.085","0.076","","","0.21","0.216","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504750","6.8697","0.0004","11.4506","0.0007","10.6918","0.0007","90","","90.015","0.001","90","","841.04","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 I N O2 -","- C18 H22 I N O2 -","- C36 H44 I2 N2 O4 -","2","1","","Esmieu, William R.; Worden, Stephen M.; Catterick, David; Wilson, Claire; Hayes, Christopher J.","A formal synthesis of (-)-cephalotaxine.","Organic letters","2008","10","14","3045","3048","10.1021/ol8010166","","","0.71073","MoKα","","0.0167","0.0166","","","0.0439","0.044","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504751","7.6125","0.0007","8.1308","0.0007","12.5485","0.0011","90","","105.841","0.002","90","","747.2","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","","Esmieu, William R.; Worden, Stephen M.; Catterick, David; Wilson, Claire; Hayes, Christopher J.","A formal synthesis of (-)-cephalotaxine.","Organic letters","2008","10","14","3045","3048","10.1021/ol8010166","","","0.71073","MoKα","","0.0345","0.0335","","","0.0926","0.0936","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504755","11.524","0.0001","9.198","0.0001","13.4063","0.0001","90","","94.931","0.001","90","","1415.78","0.02","150","2","150","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C29 H32 N O P Sn -","- C29 H32 N O P Sn -","- C58 H64 N2 O2 P2 Sn2 -","2","1","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando","Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.","Organic letters","2008","10","15","3195","3198","10.1021/ol801027p","","x-ray","1.54184","CuKα","","0.03","0.0251","","","0.0544","0.0561","","","","","","0.934","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504774","18.719","0.004","7.5043","0.0015","20.494","0.004","90","","98.693","0.004","90","","2845.8","1","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-1-(1,3-dioxoisoindolin-2-yl)-3, 4-dimethylcyclohex-3-enecarbaldehyde","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","4","","Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro","Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.","Organic letters","2008","10","13","2893","2896","10.1021/ol8011277","","","0.71073","MoKα","","0.0649","0.0468","","","0.1049","0.1144","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504779","7.074","0.002","13.714","0.004","17.962","0.005","90","","100.071","0.0016","90","","1715.7","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","TD2TD","","","- C30 H44 O4 S5 Si2 -","- C30 H44 O4 S5 Si2 -","- C60 H88 O8 S10 Si4 -","2","1","","Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Electronic modulation of fused oligothiophenes by chemical oxidation.","Organic letters","2008","10","16","3393","3396","10.1021/ol801136k","","","0.7107","MoKα","","0.1091","0.0696","","","0.1204","0.1427","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504781","10.896","0.0003","8.1258","0.0002","25.6367","0.0008","90","","94.007","0.002","90","","2264.29","0.11","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(6aR,12aS,12bR)-5-(tert-Butyldimethylsilyloxy)-1,2,3,4,6,6a- hexahydrotetraphene-7,12(12aH,12bH)-dione","","- C24 H32 O3 Si -","- C24 H32 O3 Si -","- C96 H128 O12 Si4 -","4","2","","Canales, Eda; Corey, E. J.","Highly enantioselective [4 + 2] cycloaddition reactions catalyzed by a chiral N-methyl-oxazaborolidinium cation.","Organic letters","2008","10","15","3271","3273","10.1021/ol8011502","","","0.71073","MoKα","","0.047","0.0372","","","0.0865","0.0921","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504793","8.7123","0.0006","10.2062","0.0009","12.7578","0.0009","90","","106.742","0.004","90","","1086.33","0.15","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O7 -","- C20 H24 Cl N O7 -","- C40 H48 Cl2 N2 O14 -","2","1","","Tan, Bin; Shi, Zugui; Chua, Pei Juan; Zhong, Guofu","Control of four stereocenters in an organocatalytic domino double Michael reaction: efficient synthesis of multisubstituted cyclopentanes.","Organic letters","2008","10","16","3425","3428","10.1021/ol801246m","","","0.71073","MoKα","","0.0979","0.0518","","","0.0967","0.146","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504796","12.95","0.002","5.8187","0.0009","14.737","0.002","90","","114.73","0.003","90","","1008.6","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","07094","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xuejun; Hsung, Richard P.; Li, Hongyan; Zhang, Yu; Johnson, Whitney L.; Figueroa, Ruth","A highly stereoselective synthesis of chiral alpha-amino-beta-lactams via the Kinugasa reaction employing ynamides.","Organic letters","2008","10","16","3477","3479","10.1021/ol801257j","","","0.71073","MoKα","","0.077","0.0415","","","0.0987","0.1219","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504798","11.0861","0.0006","7.6304","0.0004","13.1721","0.0007","90","","98.224","0.003","90","","1102.79","0.1","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O6 -","- C22 H22 Br N O6 -","- C44 H44 Br2 N2 O12 -","2","1","","Tan, Bin; Chua, Pei Juan; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","A highly diastereo- and enantioselective synthesis of multisubstituted cyclopentanes with four chiral carbons by the organocatalytic domino Michael-Henry reaction.","Organic letters","2008","10","16","3489","3492","10.1021/ol801273x","","","0.71073","MoKα","","0.0567","0.0414","","","0.1192","0.1425","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504799","11.183","0.0008","7.6765","0.0004","13.2468","0.0009","90","","98.116","0.002","90","","1125.8","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 F3 N O6 -","- C23 H22 F3 N O6 -","- C46 H44 F6 N2 O12 -","2","1","","Tan, Bin; Chua, Pei Juan; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","A highly diastereo- and enantioselective synthesis of multisubstituted cyclopentanes with four chiral carbons by the organocatalytic domino Michael-Henry reaction.","Organic letters","2008","10","16","3489","3492","10.1021/ol801273x","","","0.71073","MoKα","","0.0937","0.0751","","","0.2011","0.2289","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504811","12.221","0.003","9.025","0.002","15.552","0.003","90","","99.129","0.004","90","","1693.6","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl2 N O2 P Pd -","- C38 H32 Cl2 N O2 P Pd -","- C76 H64 Cl4 N2 O4 P2 Pd2 -","2","1","","Zhang, Ting-Ke; Mo, Dong-Liang; Dai, Li-Xin; Hou, Xue-Long","Asymmetric ring-opening reaction of oxabicyclic alkenes with aryl boronic acids catalyzed by P-containing palladacycles.","Organic letters","2008","10","17","3689","3692","10.1021/ol801294b","","","0.71073","MoKα","","0.0927","0.0689","","","0.1604","0.1796","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504813","10.6584","0.0003","9.087","0.0003","15.1023","0.0005","90","","103.882","0.001","90","","1419.98","0.08","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34.5 N2 O5.25 S -","- C30 H34.496 N2 O5.248 S -","- C60 H68.992 N4 O10.496 S2 -","2","1","","Tian, Xu; Jiang, Kun; Peng, Jing; Du, Wei; Chen, Ying-Chun","Organocatalytic stereoselective mannich reaction of 3-substituted oxindoles.","Organic letters","2008","10","16","3583","3586","10.1021/ol801351j","","","0.71073","MoKα","","0.0342","0.0294","","","0.0762","0.0848","","","","","","0.997","","","","has coordinates,has disorder","198673","2020-10-21","18:00:00",""
"1504829","7.6034","0.0009","12.87","0.0015","9.4298","0.0011","90","","110.788","0.001","90","","862.69","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 O4 S3 -","- C18 H14 O4 S3 -","- C36 H28 O8 S6 -","2","1","","Li, Xiaochuan; Ma, Yuzhen; Wang, Bingcai; Li, Gongan","""Lock and key control"" of photochromic reactivity by controlling the oxidation/reduction state.","Organic letters","2008","10","16","3639","3642","10.1021/ol8013655","","","0.71073","MoKα","","0.0352","0.0309","","","0.0687","0.0715","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504832","10.5997","0.0007","10.0573","0.0007","23.877","0.0017","90","","97.594","0.001","90","","2523.1","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.25 H32 N3 O5.25 -","- C25.25 H30.75 N3 O5.25 -","- C101 H123 N12 O21 -","4","2","","Imai, Yoshitane; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","2D layered supramolecular host system derived from a 21-helical column, composed of 1,2-diphenylethylenediamine and N-phenyliminodiacetic acid.","Organic letters","2008","10","17","3821","3824","10.1021/ol801374g","","","0.71073","MoKα","","0.0745","0.0636","","","0.1476","0.1549","","","","","","1.052","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504835","9.2012","0.0008","9.6796","0.0008","21.1948","0.0017","90","","93.783","0.001","90","","1883.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O12 -","- C38 H52 N2 O12 -","- C76 H104 N4 O24 -","2","1","","Deng, Zhang-Shuang; Zhao, Yu; He, Cui-Cui; Jin, Jie; He, Yun-Mian; Li, Jian-Xin","pH-dependent, stereoselective dimerization of sinomenine.","Organic letters","2008","10","17","3879","3882","10.1021/ol801403k","","","0.71073","MoKα","","0.0652","0.0448","","","0.0933","0.102","","","","","","0.916","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504850","6.0684","0.0002","8.3967","0.0003","29.0292","0.0008","90","","95.6566","0.0013","90","","1471.97","0.08","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O15 -","- C26 H41 N O15 -","- C52 H82 N2 O30 -","2","1","","Watanabe, Toru; Hirai, Go; Kato, Marie; Hashizume, Daisuke; Miyagi, Taeko; Sodeoka, Mikiko","Synthesis of CH2-linked alpha(2,3)sialylgalactose analogue: on the stereoselectivity of the key Ireland-Claisen rearrangement.","Organic letters","2008","10","19","4167","4170","10.1021/ol801519j","","","0.71073","MoKα","","0.0482","0.0363","","","0.0879","0.0934","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504862","10.7957","0.0003","7.0119","0.0002","12.5382","0.0003","90","","92.3999","0.0019","90","","948.29","0.04","173","","173","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H30 O6 Si -","- C15 H30 O6 Si -","- C30 H60 O12 Si2 -","2","1","","Aho, Jatta E.; Salomäki, Elina; Rissanen, Kari; Pihko, Petri M.","Synthetic studies toward pectenotoxin 2. Part I. Stereocontrolled access to the C10-C22 fragment.","Organic letters","2008","10","19","4179","4182","10.1021/ol8015868","","x-ray","0.71073","MoKα","","0.0648","0.0531","","","0.1021","0.1096","","","","","","1.132","","","","has coordinates","288255","2023-12-12","15:40:10",""
"1504871","8.0128","0.0009","21.296","0.003","12.4433","0.0015","90","","91.725","0.002","90","","2122.4","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H20 P2 -","- C28 H20 P2 -","- C112 H80 P8 -","4","2","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0376","0.0347","","","0.0916","0.0938","","","","","","1.334","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504872","6.4028","0.0001","11.4281","0.0003","14.5733","0.0003","90","","91.0892","0.0015","90","","1066.16","0.04","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C21 H36 O3 Si -","- C21 H36 O3 Si -","- C42 H72 O6 Si2 -","2","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0389","0.0293","","0.0358","0.0322","0.0322","","","","","","1.1161","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504874","6.2293","0.0001","16.5761","0.0003","6.7802","0.0001","90","","107.302","0.0011","90","","668.428","0.019","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0331","0.0289","","0.0341","0.0322","0.0322","","","","","","1.1341","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504893","11.0148","0.0004","15.6616","0.0007","13.2742","0.0005","90","","91.291","0.003","90","","2289.34","0.16","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","2","","Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P","Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.","Organic letters","2008","10","21","4759","4762","10.1021/ol801757r","","x-ray","0.71073","MoKα","","0.0579","0.0362","","","0.0712","0.0765","","","","","","0.887","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504896","8.5486","0.0001","16.0954","0.0003","12.7901","0.0002","90","","92.8111","0.0012","90","","1757.71","0.05","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H21.18 N O8.09 -","- C19 H21 N O8.0865 -","- C76 H84 N4 O32.346 -","4","2","","Matveenko, Maria; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the structure assigned to the alkaloid (+)-montabuphine.","Organic letters","2008","10","20","4693","4696","10.1021/ol801815k","","","0.71073","MoKα","","0.0293","0.0265","","0.0675","0.0663","0.0675","","","","","","0.9413","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504899","7.9067","0.0002","12.6246","0.0003","10.7306","0.0003","90","","110.151","0.001","90","","1005.55","0.05","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H32 Br N O4 -","- C18 H32 Br N O4 -","- C36 H64 Br2 N2 O8 -","2","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0422","0.0344","","","0.0797","0.0843","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504903","6.9222","0.0003","8.7421","0.0004","10.5953","0.0005","90","","103.477","0.002","90","","623.51","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O5 -","- C11 H17 N O5 -","- C22 H34 N2 O10 -","2","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0492","0.0368","","","0.0791","0.0857","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504916","8.9537","0.0011","11.9368","0.0013","11.6889","0.0014","90","","100.554","0.002","90","","1228.2","0.2","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C60 H54 N2 O8 -","2","1","","Chen, Jhih-Rong; Wong, Jen-Bing; Kuo, Pei-Yu; Yang, Ding-Yah","Synthesis and characterization of coumarin-based spiropyran photochromic colorants.","Organic letters","2008","10","21","4823","4826","10.1021/ol8018902","","x-ray","0.71073","MoKα","","0.0499","0.0361","","","0.0853","0.0922","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504920","8.5521","0.0011","11.1926","0.0015","9.6514","0.0013","90","","90.428","0.002","90","","923.8","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 F3 N O2 -","- C21 H18 F3 N O2 -","- C42 H36 F6 N2 O4 -","2","1","","Thillaye du Boullay, Olivier; Alba, Aurélie; Oukhatar, Fatima; Martin-Vaca, Blanca; Bourissou, Didier","(1-Naphthyl)(trifluoromethyl) O-carboxy anhydride as a chiral derivatizing agent: eclipsed conformation enforced by hydrogen bonding.","Organic letters","2008","10","20","4669","4672","10.1021/ol801930m","","","0.71073","MoKα","","0.0346","0.0299","","","0.0719","0.0747","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504937","11.02","0.002","23.824","0.003","12.159","0.002","90","","116.686","0.002","90","","2852.2","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","03233","","","- C30 H41 N O3 Si -","- C30 H41 N O3 Si -","- C120 H164 N4 O12 Si4 -","4","2","","Li, Gang; Hsung, Richard P.; Slafer, Brian W.; Sagamanova, Irina K.","Total synthesis of (+)-lepadin F.","Organic letters","2008","10","21","4991","4994","10.1021/ol802068q","","","0.71073","MoKα","","0.0497","0.0369","","","0.079","0.0853","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504938","10.8993","0.0006","22.6591","0.0012","20.3062","0.001","90","","104.897","0.005","90","","4846.4","0.5","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H41 F12 N3 P4 Pd -","- C50 H41 F12 N3 P4 Pd -","- C200 H164 F48 N12 P16 Pd4 -","4","2","","Nieto, Sonia; Lynch, Vincent M.; Anslyn, Eric V.; Kim, Hyunwoo; Chin, Jik","Rapid enantiomeric excess and concentration determination using simple racemic metal complexes.","Organic letters","2008","10","22","5167","5170","10.1021/ol802085j","","","0.71069","MoKα","","0.146","0.0695","","","0.104","0.1264","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504949","12.3227","0.0002","15.878","0.0003","13.5239","0.0002","90","","113.169","0.0012","90","","2432.67","0.07","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H61 Cl N2 Pd -","- C56 H61 Cl N2 Pd -","- C112 H122 Cl2 N4 Pd2 -","2","1","","Luan, Xinjun; Mariz, Ronaldo; Robert, Carine; Gatti, Michele; Blumentritt, Sascha; Linden, Anthony; Dorta, Reto","Matching the chirality of monodentate N-heterocyclic carbene ligands: a case study on well-defined palladium complexes for the asymmetric alpha-arylation of amides.","Organic letters","2008","10","24","5569","5572","10.1021/ol8021808","","","0.71073","MoKα","","0.048","0.0382","","","0.0883","0.0925","","","","","","1.103","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504950","13.0136","0.0001","23.9021","0.0002","16.2196","0.0001","90","","95.8913","0.0005","90","","5018.5","0.07","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H66 Cl N2 Pd -","- C56 H59 Cl N2 Pd -","- C224 H236 Cl4 N8 Pd4 -","4","2","","Luan, Xinjun; Mariz, Ronaldo; Robert, Carine; Gatti, Michele; Blumentritt, Sascha; Linden, Anthony; Dorta, Reto","Matching the chirality of monodentate N-heterocyclic carbene ligands: a case study on well-defined palladium complexes for the asymmetric alpha-arylation of amides.","Organic letters","2008","10","24","5569","5572","10.1021/ol8021808","","","0.71073","MoKα","","0.057","0.0445","","","0.1145","0.1212","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504963","13.7484","0.001","5.8038","0.0005","17.2869","0.0014","90","","90.155","0.001","90","","1379.37","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 N5 O4 -","- C14 H9 N5 O4 -","- C56 H36 N20 O16 -","4","2","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0669","0.0584","","","0.1535","0.1583","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504976","7.9159","0.0016","6.2842","0.0013","14.983","0.003","90","","93.66","0.03","90","","743.8","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","1","","Hu, Bao; Xing, Siyang; Wang, Zhongwen","Lewis acid catalyzed ring-opening intramolecular Friedel-Crafts alkylation of methylenecyclopropane 1,1-diesters.","Organic letters","2008","10","23","5481","5484","10.1021/ol802301e","","","0.71073","MoKα","","0.0423","0.0359","","","0.091","0.0942","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504979","5.7133","0.0001","8.3317","0.0002","13.9177","0.0005","90","","93.992","0.001","90","","660.9","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Bonne, Damien; Salat, Lydie; Dulcère, Jean-Pierre; Rodriguez, Jean","Sequential organocatalyzed Michael addition/[3 + 2]-heterocyclization for the stereoselective synthesis of fused-isoxazoline precursors of enantiopure cyclopentanoids.","Organic letters","2008","10","23","5409","5412","10.1021/ol8023133","","x-ray","0.71073","MoKα","","0.0414","0.0344","","","0.0795","0.0844","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504980","6.1561","0.0001","10.6114","0.0001","14.3465","0.0002","90","","90.572","0.001","90","","937.14","0.02","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Kürti, László; Czakó, Barbara; Corey, E. J.","A short, scalable synthesis of the carbocyclic core of the anti-angiogenic cortistatins from (+)-estrone by B-ring expansion.","Organic letters","2008","10","22","5247","5250","10.1021/ol802328n","","","0.71073","MoKα","","0.0382","0.0354","","","0.0919","0.0942","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504983","9.4561","0.0019","12.914","0.003","11.47","0.002","90","","109.58","0.03","90","","1319.7","0.5","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 F15 N4 O6 S2 -","- C15 H15 F15 N4 O6 S2 -","- C30 H30 F30 N8 O12 S4 -","2","1","","Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D.","Fluoroalkylation of imidazoles by hypervalent iodonium salts.","Organic letters","2008","10","24","5565","5568","10.1021/ol802399z","","","0.71073","MoKα","","0.0334","0.0305","","","0.0714","0.0727","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504993","5.985","0.003","8.644","0.004","12.082","0.006","90","","100.371","0.007","90","","614.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0335","0.0304","","","0.08","0.0945","","","","","","1.219","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504994","7.551","0.002","9.856","0.003","8.964","0.003","90","","97.69","0.04","90","","661.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0431","0.0403","","","0.108","0.1117","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505019","9.554","0.0001","39.491","0.0004","9.8412","0.0001","90","","90.729","0.001","90","","3712.75","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H19.5 Cl2 N Na O6.75 -","- C14 H19.5 Cl2 N Na O6.75 -","- C112 H156 Cl16 N8 Na8 O54 -","8","4","","Llinàs, Antonio; Burley, Jonathan C.; Box, Karl J.; Glen, Robert C.; Goodman, Jonathan M.","Diclofenac solubility: independent determination of the intrinsic solubility of three crystal forms.","Journal of medicinal chemistry","2007","50","5","979","983","10.1021/jm0612970","","","0.71073","MoKα","","0.0337","0.0323","","","0.0943","0.0965","","","","","","1.091","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1505020","10.509","0.004","31.892","0.012","10.564","0.004","90","","117.63","0.006","90","","3137","2","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39.5 Cl N8 O8.25 Pt S -","- C24 H37 Cl N8 O8.25 Pt S -","- C96 H148 Cl4 N32 O33 Pt4 S4 -","4","2","","Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich","Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity.","Journal of medicinal chemistry","2007","50","9","2259","2263","10.1021/jm0614376","","","0.71073","MoKα","","0.0917","0.0689","","","0.1168","0.1251","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505027","14.443","0.002","5.797","0.001","15.243","0.002","90","","115.4","0.01","90","","1152.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(2-tert-butoxymethyl-3-hydroxy-6-isopropoxy-3,6-dihydro-2H- pyran-4-yl)hydroxy-methyl]-benzonitrile","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C44 H58 N2 O12 -","2","1","","Saquib, Mohammad; Gupta, Manish K.; Sagar, Ram; Prabhakar, Yenamandra S.; Shaw, Arun K.; Kumar, Rishi; Maulik, Prakas R.; Gaikwad, Anil N.; Sinha, Sudhir; Srivastava, Anil K.; Chaturvedi, Vinita; Srivastava, Ranjana; Srivastava, Brahm S.","C-3 alkyl/arylalkyl-2,3-dideoxy hex-2-enopyranosides as antitubercular agents: synthesis, biological evaluation, and QSAR study.","Journal of medicinal chemistry","2007","50","13","2942","2950","10.1021/jm070110h","","","0.71073","MoKα","","0.1206","0.0875","","","0.2265","0.2551","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505029","6.6883","0.0013","5.6677","0.0011","27.611","0.006","90","","95.9","0.03","90","","1041.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O5 -","- C22 H27 N3 O5 -","- C44 H54 N6 O10 -","2","1","","Robins, Morris J.; Nowak, Ireneusz; Rajwanshi, Vivek K.; Miranda, Karl; Cannon, John F.; Peterson, Matt A.; Andrei, Graciela; Snoeck, Robert; De Clercq, Erik; Balzarini, Jan","Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core.","Journal of medicinal chemistry","2007","50","16","3897","3905","10.1021/jm070210n","","","1.54178","CuKα","","0.0422","0.0356","","","0.0819","0.0854","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505030","6.6665","0.0013","5.7707","0.0012","25.533","0.005","90","","95.15","0.03","90","","978.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Robins, Morris J.; Nowak, Ireneusz; Rajwanshi, Vivek K.; Miranda, Karl; Cannon, John F.; Peterson, Matt A.; Andrei, Graciela; Snoeck, Robert; De Clercq, Erik; Balzarini, Jan","Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core.","Journal of medicinal chemistry","2007","50","16","3897","3905","10.1021/jm070210n","","","0.71073","MoKα","","0.0793","0.0569","","","0.1037","0.1132","","","","","","1.273","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505034","7.1718","0.0007","6.9079","0.0007","10.864","0.0011","90","","107.338","0.002","90","","513.77","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O4 -","- C9 H17 N O4 -","- C18 H34 N2 O8 -","2","1","","Vyavahare, Vinod P.; Chakraborty, Chaitali; Maity, Biswanath; Chattopadhyay, Subrata; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents.","Journal of medicinal chemistry","2007","50","22","5519","5523","10.1021/jm070660f","","","0.71073","MoKα","","0.0456","0.0411","","","0.1108","0.1168","","","","","","1.105","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505082","9.9567","0.0007","7.9025","0.0005","15.4975","0.0012","90","","102.025","0.004","90","","1192.63","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O Si -","- C25 H38 N2 O Si -","- C50 H76 N4 O2 Si2 -","2","1","","Busygin, I.; Tkachenko, O.P.; Nieminen, V.; Borokov, V.Yu.; Sillanpaa, R.; Toukoniitty, E.; Kustov, L.M.; Murzin, D.Yu.; Leino, R.","Interaction of Cinchonidine and 1-Phenyl-1,2-Propanedione on the Surface of a Chirally Modified Pt/Al2O3 Hydrogenation Catalyst","Journal of Physical Chemistry C","2007","111","26","9374","","10.1021/jp071818a","","x-ray","0.71073","MoKα","","0.104","0.0706","","","0.1184","0.1331","","","","","","1.118","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505085","9.6751","0.0012","10.2214","0.0012","10.6522","0.0013","90","","96.993","0.002","90","","1045.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C56 H48 O4 -","2","1","","Tong, Hui; Hong, Yuning; Dong, Yongqiang; Häussler, Matthias; Li, Zhen; Lam, Jacky W. Y.; Dong, Yuping; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong","Protein detection and quantitation by tetraphenylethene-based fluorescent probes with aggregation-induced emission characteristics.","The journal of physical chemistry. B","2007","111","40","11817","11823","10.1021/jp073147m","","","0.71073","MoKα","","0.0498","0.0392","","","0.0891","0.0949","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505116","8.2269","0.0005","15.4634","0.001","11.0881","0.0007","90","","99.872","0.005","90","","1389.7","0.15","100","2","100","2","","","101.325","","","","Synthesis in Lab","5","P 1 21 1","P 2yb","4","","3-[((2,6-Bis{3,5-bistrifluoromethylphenyl}phenyl)amino)methylene] -1,1,1,5,5,5-hexafluoropentane-2,4-dione","","- C28 H11 F18 N O2 -","- C28 H11 F17.88 N O2 -","- C56 H22 F35.76 N2 O4 -","2","1","","Yu, Sze-Man; Berkefeld, Andreas; Göttker-Schnetmann, Inigo; Müller, Gerhard; Mecking, Stefan","Synthesis of Aqueous Polyethylene Dispersions with Electron-Deficient Neutral Nickel(II) Catalysts with Enolatoimine Ligands","Macromolecules","2007","40","3","421","","10.1021/ma061804n","","","0.71073","MoKα","","0.0525","0.0472","","","0.1191","0.1223","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505133","5.32","0.008","8.24","0.012","18.92","0.03","90","0.006","96.93","0.007","90","0.006","823","2","103.15","","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H10 F5 I O4 -","- C16 H9 F5 I O4 -","- C32 H18 F10 I2 O8 -","2","1","","Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko","Regioregular Polymerization of Fluorine-Containing Epoxides","Macromolecules","2007","40","17","6136","","10.1021/ma070428j","","","0.7107","MoKα","","0.059","0.0553","","","0.1491","0.1528","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505156","12.132","0.004","5.2501","0.0014","14.966","0.005","90","","93.362","0.012","90","","951.6","0.5","113.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","","Fujii, Toru; Shiotsuki, Masashi; Inai, Yoshihito; Sanda, Fumio; Masuda, Toshio","Synthesis of Helical Poly(N-propargylamides) Carrying Azobenzene Moieties in Side Chains. Reversible Arrangement-Disarrangement of Helical Side Chain Arrays upon Photoirradiation Keeping Helical Main Chain Intact","Macromolecules","2007","40","20","7079","","10.1021/ma070917j","","","0.71075","MoKα","","","0.0649","","","","0.0778","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505218","7.34","0.002","9.715","0.003","9.555","0.003","90","","99.39","0.008","90","","672.2","0.3","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Fei, Dong-Qing; Li, Shi-Gang; Liu, Chun-Mei; Wu, Gang; Gao, Kun","Eremophilane-type sesquiterpene derivatives from the roots of Ligularia lapathifolia.","Journal of natural products","2007","70","2","241","245","10.1021/np060304k","","","0.71073","MoKα","","0.0375","0.035","","","0.1098","0.1139","","","","","","0.938","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505220","8.7505","0.0009","5.1734","0.0005","10.6057","0.0011","90","","98.682","0.001","90","","474.62","0.08","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 O6 -","- C9 H14 O6 -","- C18 H28 O12 -","2","1","","Valladares, María Guadalupe; Rios, María Yolanda","Iridoids from Crescentia alata.","Journal of natural products","2007","70","1","100","102","10.1021/np060499w","","","0.71073","MoKα","","0.0287","0.0284","","","0.0746","0.0749","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505223","7.156","0.002","30.155","0.009","8.678","0.003","90","","103.888","0.005","90","","1817.9","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H53 N5 O11 -","- C31 H53 N5 O11 -","- C62 H106 N10 O22 -","2","1","","Huang, Huarong; She, Zhigang; Lin, Yongcheng; Vrijmoed, L. L. P.; Lin, Wenhan","Cyclic peptides from an endophytic fungus obtained from a mangrove leaf (Kandelia candel).","Journal of natural products","2007","70","11","1696","1699","10.1021/np0605891","","","0.71073","MoKα","","0.0802","0.0566","","","0.1572","0.1741","","","","","","1.038","","","","has coordinates","287882","2023-11-30","11:36:46",""
"1505224","7.089","0.003","28.71","0.014","8.77","0.004","90","","103.606","0.007","90","","1734.8","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H49 N5 O9 -","- C30 H49 N5 O9 -","- C60 H98 N10 O18 -","2","1","","Huang, Huarong; She, Zhigang; Lin, Yongcheng; Vrijmoed, L. L. P.; Lin, Wenhan","Cyclic peptides from an endophytic fungus obtained from a mangrove leaf (Kandelia candel).","Journal of natural products","2007","70","11","1696","1699","10.1021/np0605891","","","0.71073","MoKα","","0.1023","0.0702","","","0.1643","0.1825","","","","","","1.052","","","","has coordinates,has disorder","287882","2023-11-30","11:37:01",""
"1505225","10.8338","0.0013","12.2421","0.0015","14.0333","0.0016","90","","96.445","0.002","90","","1849.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H48 O17 -","- C35 H48 O17 -","- C70 H96 O34 -","2","1","","Yin, Sheng; Wang, Xiao-Ning; Fan, Cheng-Qi; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Limonoids from the seeds of the marine mangrove Xylocarpus granatum.","Journal of natural products","2007","70","4","682","685","10.1021/np060632k","","","0.71073","MoKα","","0.0828","0.0608","","","0.1551","0.169","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505230","11.136","0.002","11.655","0.003","15.148","0.004","90","","90.617","0.007","90","","1965.9","0.8","298","","","","","","","","","","Local laboratory","3","P 1 21 1","P 2yb","4","","","","- C32 H56 O11 -","- C32 H53 O18 -","- C64 H106 O36 -","2","1","","Socolsky, Cecilia; Asakawa, Yoshinori; Bardón, Alicia","Diterpenoid glycosides from the bitter fern Gleichenia quadripartita.","Journal of natural products","2007","70","12","1837","1845","10.1021/np070119m","","","0.71073","MoKα","","0.104","0.0755","","","0.2097","0.2417","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505245","5.9407","0.0012","10.466","0.002","9.3103","0.0019","90","","90","0.03","90","","578.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C22 H38 N2 O8 -","2","1","","Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru","trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.","Organic letters","2007","9","2","207","209","10.1021/ol062621o","","","0.71073","MoKα","","0.067","0.0493","","","0.125","0.136","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505250","5.51","0.01","15.22","0.01","10.76","0.01","90","","95.3","0.1","90","","898.5","1.9","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Br N3 O4 -","- C18 H20 Br N3 O4 -","- C36 H40 Br2 N6 O8 -","2","1","","Suga, Hiroyuki; Funyu, Akira; Kakehi, Akikazu","Highly enantioselective and diastereoselective 1,3-dipolar cycloaddition reactions between azomethine imines and 3-acryloyl-2-oxazolidinone catalyzed by binaphthyldiimine-Ni(II) complexes.","Organic letters","2007","9","1","97","100","10.1021/ol062675y","","","0.7107","MoKα","","0.0757","0.076","","0.051","","0.051","","","4.054","","","4.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505261","8.6574","0.0011","6.3454","0.0008","14.4396","0.0018","90","","102.638","0.002","90","","774.02","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Liu, Yuanhong; Song, Zhiquan; Yan, Bin","General and direct synthesis of 3-aminoindolizines and their analogues via Pd/Cu-catalyzed sequential cross-coupling/cycloisomerization reactions.","Organic letters","2007","9","3","409","412","10.1021/ol062766v","","","0.71073","MoKα","","0.0507","0.039","","","0.0821","0.0873","","","","","","0.949","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505265","7.2559","0.0002","13.5691","0.0003","8.4425","0.0002","90","","109.208","0.0009","90","","784.94","0.03","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl2 Ir N O -","- C15 H19 Cl2 Ir N O -","- C30 H38 Cl4 Ir2 N2 O2 -","2","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0298","","","","0.0298","","","","","","0.926","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505269","11.1455","0.0002","15.2453","0.0003","11.5346","0.0002","90","","95.8198","0.0008","90","","1949.82","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 O7 S -","- C42 H45 Cl3 O7 S -","- C84 H90 Cl6 O14 S2 -","2","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Danylyuk, Oksana; Suwinska, Kinga; Lipkowski, Janusz; Kalchenko, Vitaly I.","Diastereoselective lower rim (1S)-camphorsulfonylation as the shortest way to the inherently chiral calix[4]arene.","Organic letters","2007","9","7","1183","1185","10.1021/ol0628513","","","0.71073","MoKα","","0.0555","0.0423","","","0.1027","0.1079","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505278","7.241","0.0009","8.3118","0.0011","9.2383","0.0012","90","","112.902","0.002","90","","512.18","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0388","0.035","","","0.0876","0.0911","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505279","7.1732","0.0019","7.1417","0.0019","14.467","0.004","90","","96.269","0.005","90","","736.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C26 H42 N2 O12 -","2","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0565","0.0378","","","0.0909","0.1045","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505280","7.6885","0.0002","13.6801","0.0003","8.0672","0.0002","90","","106.725","0.001","90","","812.61","0.03","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Li, Hao; Wang, Jian; Xie, Hexin; Zu, Liansuo; Jiang, Wei; Duesler, Eileen N.; Wang, Wei","Chiral Diphenylprolinol TES ether promoted conjugate addition-aldol-dehydration reactions between alpha,beta-unsaturated aldehydes and 2-N-protected amino benzaldehydes.","Organic letters","2007","9","6","965","968","10.1021/ol062877u","","","0.71073","MoKα","","0.0548","0.0387","","","0.0953","0.1074","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505294","11.214","0.005","5.672","0.002","13.715","0.006","90","","105.745","0.007","90","","839.6","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Kotkar, Shriram P.; Chavan, Vilas B.; Sudalai, Arumugam","Organocatalytic sequential alpha-amination-Horner-Wadsworth-Emmons olefination of aldehydes: enantioselective synthesis of gamma-amino-alpha,beta-unsaturated esters.","Organic letters","2007","9","6","1001","1004","10.1021/ol063012j","","","0.71073","MoKα","","0.0627","0.0426","","","0.0797","0.0887","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505295","10.3024","0.0011","13.1964","0.0013","11.0369","0.0011","90","","91.614","0.002","90","","1499.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","2","","Sliwinska, Anna; Czardybon, Wojciech; Warkentin, John","Zwitterion from a cyclopropane with geminal donor and acceptor groups.","Organic letters","2007","9","4","695","698","10.1021/ol063021s","","","0.71073","MoKα","","0.053","0.0449","","","0.1153","0.1222","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505307","9.091","0.0014","7.4742","0.0011","9.4591","0.0014","90","","94.804","0.003","90","","640.47","0.17","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C26 H40 O10 -","2","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0349","0.0316","","","0.074","0.0753","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505311","9.2379","0.0006","9.1401","0.0006","14.956","0.0009","90","","102.026","0.001","90","","1235.1","0.14","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-4-[(1-phenylthio)cyclopropyl]-2-butanone","","- C13 H16 O2 S -","- C13 H16 O2 S -","- C52 H64 O8 S4 -","4","2","","Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco","l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones.","Organic letters","2007","9","3","541","544","10.1021/ol063084a","","x-ray","0.71073","MoKα","","0.0357","0.0284","","","0.0714","0.0749","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505321","8.3368","0.0016","9.1981","0.0017","8.8279","0.0017","90","","115.081","0.003","90","","613.1","0.2","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 P S -","- C14 H13 P S -","- C28 H26 P2 S2 -","2","1","","Brunker, Tim J.; Anderson, Brian J.; Blank, Natalia F.; Glueck, David S.; Rheingold, Arnold L.","Enantioselective synthesis of P-stereogenic benzophospholanes via palladium-catalyzed intramolecular cyclization.","Organic letters","2007","9","6","1109","1112","10.1021/ol0700512","","","0.71073","MoKα","","0.0344","0.0339","","","0.0845","0.085","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505331","21.557","0.003","6.5449","0.0008","24.219","0.003","90","","111.723","0.002","90","","3174.4","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","06266a","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C150 H156 N12 O18 -","6","3","","Antoline, Jennifer E.; Hsung, Richard P.; Huang, Jian; Song, Zhenlei; Li, Gang","Highly stereoselective [4 + 3] cycloadditions of nitrogen-stabilized oxyallyl cations with pyrroles: an approach to parvineostemonine.","Organic letters","2007","9","7","1275","1278","10.1021/ol070103n","","","0.71073","MoKα","","0.0865","0.0482","","","0.1156","0.1386","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505339","8.1292","0.0011","5.7648","0.0008","12.434","0.002","90","","97.293","0.013","90","","577.98","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","2","1","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.1212","0.0733","","","0.1255","0.1354","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505340","11.1153","0.0015","5.4908","0.0008","16.1643","0.0017","90","","91.345","0.01","90","","986.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C32 H64 N8 O12 -","4","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.1322","0.0683","","","0.1548","0.1645","","","","","","0.749","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505342","13.9345","0.0012","5.5848","0.0005","15.406","0.0013","90","","92.408","0.007","90","","1197.86","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.0392","0.0317","","","0.0876","0.0901","","","","","","0.851","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505345","5.707","0.0009","7.7939","0.0012","15.67","0.002","90","","99.496","0.002","90","","687.45","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Br F3 O2 -","- C13 H12 Br F3 O2 -","- C26 H24 Br2 F6 O4 -","2","1","","Wang, Xiao-Jin; Zhao, Yan; Liu, Jin-Tao","Regiospecific organocatalytic asymmetric aldol reaction of methyl ketones and alpha,beta-unsaturated trifluoromethyl ketones.","Organic letters","2007","9","7","1343","1345","10.1021/ol070217z","","","0.71073","MoKα","","0.0715","0.0628","","","0.1573","0.1759","","","","","","0.994","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505373","10.6408","0.0008","6.0649","0.0005","13.6002","0.001","90","","101.346","0.004","90","","860.54","0.12","446","2","446","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","","Koo, Bonsuk; McDonald, Frank E.","Fischer carbene catalysis of alkynol cycloisomerization: application to the synthesis of the altromycin B disaccharide.","Organic letters","2007","9","9","1737","1740","10.1021/ol070435s","","","1.54178","CuKα","","0.0293","0.0279","","","0.0716","0.0729","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505389","11.132","0.001","12.407","0.001","11.655","0.001","90","","107.67","0.01","90","","1533.8","0.2","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O11 -","- C31 H40 O11 -","- C62 H80 O22 -","2","1","","Huang, Sheng-Xiong; Li, Rong-Tao; Liu, Jing-Ping; Lu, Yang; Chang, Ying; Lei, Chun; Xiao, Wei-Lie; Yang, Li-Bin; Zheng, Qi-Tai; Sun, Han-Dong","Isolation and characterization of biogenetically related highly oxygenated nortriterpenoids from Schisandra chinensis.","Organic letters","2007","9","11","2079","2082","10.1021/ol070510z","","","0.71073","MoKα","","0.0685","0.0666","","","0.1833","0.1883","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505390","8.214","0.002","15.608","0.005","11.522","0.003","90","","90.982","0.004","90","","1477","0.7","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O12 -","- C29 H38 O12 -","- C58 H76 O24 -","2","1","","Huang, Sheng-Xiong; Li, Rong-Tao; Liu, Jing-Ping; Lu, Yang; Chang, Ying; Lei, Chun; Xiao, Wei-Lie; Yang, Li-Bin; Zheng, Qi-Tai; Sun, Han-Dong","Isolation and characterization of biogenetically related highly oxygenated nortriterpenoids from Schisandra chinensis.","Organic letters","2007","9","11","2079","2082","10.1021/ol070510z","","","0.71073","MoKα","","0.0928","0.0429","","","0.1001","0.1266","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505393","10.483","0.002","11.118","0.002","15.144","0.003","90","","91.38","0.02","90","","1764.5","0.6","289","2","289","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O3 -","- C22 H19.25 N2 O3 -","- C88 H77 N8 O12 -","4","2","","Cai, Xiang-Hai; Du, Zhi-Zhi; Luo, Xiao-Dong","Unique monoterpenoid indole alkaloids from Alstonia scholaris.","Organic letters","2007","9","9","1817","1820","10.1021/ol0705301","","","0.71073","MoKα","","0.0465","0.0346","","","0.0756","0.0787","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505396","9.5518","0.0003","5.4857","0.0002","16.4179","0.0005","90","","97.103","0.002","90","","853.67","0.05","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","Li, Hao; Zu, Liansuo; Xie, Hexin; Wang, Jian; Jiang, Wei; Wang, Wei","Enantioselective organocatalytic double Michael addition reactions.","Organic letters","2007","9","9","1833","1835","10.1021/ol070581y","","","0.71073","MoKα","","0.0463","0.0379","","","0.0792","0.0837","","","","","","0.98","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505398","9.118","0.003","19.012","0.003","11.942","0.005","90","","93.65","0.02","90","","2066","1.1","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O9 -","- C21 H30 O9 -","- C84 H120 O36 -","4","2","","Niu, Xue-Mei; Li, Sheng-Hong; Görls, Helmar; Schollmeyer, Dieter; Hilliger, Matthias; Grabley, Susanne; Sattler, Isabel","Abyssomicin E, a highly functionalized polycyclic metabolite from Streptomyces species.","Organic letters","2007","9","13","2437","2440","10.1021/ol0705999","","","1.54178","CuKα","","0.0732","0.0572","","","0.1581","0.2109","","","","","","1.087","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505400","12.67","0.006","4.943","0.002","17.744","0.008","90","","110.918","0.005","90","","1038","0.8","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Clark, J. Stephen; Conroy, Joanne; Blake, Alexander J.","Rapid synthesis of the A-E fragment of ciguatoxin CTX3C.","Organic letters","2007","9","11","2091","2094","10.1021/ol0706096","","","0.71073","MoKα","","0.0835","0.0519","","","0.121","0.135","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505407","7.9893","0.0014","27.158","0.005","11.724","0.002","90","","93.637","0.003","90","","2538.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 O14 S2 -","- C20 H23 N3 O14 S2 -","- C80 H92 N12 O56 S8 -","4","2","","Knapp, Spencer; Abdo, Mohannad; Ajayi, Kehinde; Huhn, Richard A.; Emge, Thomas J.; Kim, Eun Ju; Hanover, John A.","Tautomeric modification of GlcNAc-thiazoline.","Organic letters","2007","9","12","2321","2324","10.1021/ol0706814","","","0.71073","MoKα","","0.0779","0.0631","","","0.1459","0.1564","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505410","13.532","0.0005","5.4471","0.0002","15.2633","0.0006","90","","113.234","0.001","90","","1033.82","0.07","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 Br2 F3 N O -","- C23 H16 Br2 F3 N O -","- C46 H32 Br4 F6 N2 O2 -","2","1","","Denton, Justin R.; Sukumaran, Dinesh; Davies, Huw M. L.","Enantioselective synthesis of trifluoromethyl-substituted cyclopropanes.","Organic letters","2007","9","14","2625","2628","10.1021/ol070714f","","","0.71073","MoKα","","0.0484","0.0382","","","0.0897","0.0947","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505411","9.46","0.0018","6.0405","0.0012","13.586","0.003","90","","108.872","0.003","90","","734.6","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","05070","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Oppenheimer, Jossian; Johnson, Whitney L.; Tracey, Michael R.; Hsung, Richard P.; Yao, Pei-Yuan; Liu, Renhe; Zhao, Kang","A rhodium(I)-catalyzed demethylation-cyclization of o-anisole-substituted ynamides in the synthesis of chiral 2-amido benzofurans.","Organic letters","2007","9","12","2361","2364","10.1021/ol0707362","","","0.71073","MoKα","","0.0355","0.0328","","","0.0889","0.0909","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505413","7.292","0.0004","17.7683","0.0017","17.7243","0.0011","90","","98.805","0.004","90","","2269.4","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H66 O12 S Si2 -","- C38 H66 O12 S Si2 -","- C76 H132 O24 S2 Si4 -","2","1","","Kim, Youngsoon; Fuchs, Philip L.","Lactol-directed osmylation. Stereodivergent synthesis of four C-19,20 apoptolidin diols from a single allylic hemiacetal.","Organic letters","2007","9","13","2445","2448","10.1021/ol0707564","","","0.71073","MO-Kα","","0.091","0.088","","","0.181","0.182","","","","","","1.213","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505435","13.937","0.006","5.674","0.002","14.021","0.006","90","","90.777","0.009","90","","1108.7","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 Br O7 -","- C25 H21 Br O7 -","- C50 H42 Br2 O14 -","2","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","","0.71073","MoKα","","0.1348","0.0613","","","0.1344","0.154","","","","","","0.839","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505462","9.083","0.0018","9.104","0.0018","15.642","0.003","90","","102.6","0.03","90","","1262.3","0.5","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H26 Fe N O P S -","- C29 H26 Fe N O P S -","- C58 H52 Fe2 N2 O2 P2 S2 -","2","1","","Cheemala, Murthy N.; Knochel, Paul","New P,N-ferrocenyl ligands for the asymmetric Ir-catalyzed hydrogenation of imines.","Organic letters","2007","9","16","3089","3092","10.1021/ol071168t","","","0.71073","MoKα","","0.0388","0.0363","","","0.0975","0.0998","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505463","8.0414","0.001","11.4829","0.0014","8.497","0.0011","90","","93.684","0.002","90","","782.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Song, Juan; Shen, Qi; Xu, Fan; Lu, Xiyan","Cationic Pd(II)-catalyzed enantioselective cyclization of aroylmethyl 2-alkynoates initiated by carbopalladation of alkynes with arylboronic acids.","Organic letters","2007","9","15","2947","2950","10.1021/ol0711772","","","0.71073","MoKα","","0.0497","0.0433","","","0.0998","0.1025","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505473","13.2576","0.0014","26.161","0.003","13.3645","0.0014","90","","96.638","0.003","90","","4604.2","0.9","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H68 O9 Si -","- C45 H68 O9 Si -","- C180 H272 O36 Si4 -","4","2","","Smith, 3rd, Amos B; Kim, Dae-Shik","The spirastrellolides: construction of the southern C(1)-C(25) fragment exploiting anion relay chemistry.","Organic letters","2007","9","17","3311","3314","10.1021/ol071282b","","","0.71073","MoKα","","0.1066","0.0673","","","0.1486","0.1838","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505475","13.531","0.003","13.512","0.002","14.864","0.003","90","","115.449","0.002","90","","2453.9","0.8","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H60 N12 O4 -","- C48 H60 N12 O4 -","- C96 H120 N24 O8 -","2","1","","Columbus, Ishay; Biali, Silvio E.","The nucleophilic substitution route. A facile method for the fourfold functionalization of the methylene bridges of calix[4]arene.","Organic letters","2007","9","15","2927","2929","10.1021/ol0713178","","","0.71073","MoKα","","0.0881","0.0781","","","0.1806","0.1897","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505487","10.909","0.003","14.832","0.004","22.953","0.006","90","","99.361","0.004","90","","3664.4","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67.5 H105 Co F6 N2 O5 Sb Si2 -","- C67.48 H105.96 Co F6 N2 O4.87 Sb Si2 -","- C134.96 H211.92 Co2 F12 N4 O9.74 Sb2 Si4 -","2","1","","Hutson, Gerri E.; Dave, Apurva H.; Rawal, Viresh H.","Highly enantioselective carbonyl-ene reactions catalyzed by a hindered silyl-salen-cobalt complex.","Organic letters","2007","9","20","3869","3872","10.1021/ol071342d","","","0.71073","MoKα","","0.0729","0.0536","","","0.114","0.1197","","","","","","0.947","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505489","9.3047","0.0001","33.0047","0.0003","13.9912","0.0001","90","","91.6476","0.0005","90","","4294.9","0.07","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Br I O6 -","- C18 H24 Br I O6 -","- C144 H192 Br8 I8 O48 -","8","4","","Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C.","Chemoenzymatic approaches to the montanine alkaloids: a total synthesis of (+)-brunsvigine.","Organic letters","2007","9","18","3503","3506","10.1021/ol071344y","","","0.71073","MoKα","","0.046","0.0263","","0.036","0.0288","0.0288","","","","","","1.1209","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505502","7.319","0.004","8.911","0.003","12.178","0.007","90","","93.29","0.02","90","","792.9","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Chloro-Compound","Myrionine hydrochloride, compound 9","","- C15 H27 Cl N2 O -","- C15 H27 Cl N2 O -","- C30 H54 Cl2 N4 O2 -","2","1","","Pham, Van Cuong; Jossang, Akino; Chiaroni, Angèle; Sévenet, Thierry; Nguyen, Van Hung; Bodo, Bernard","Solution and crystal conformations of myrionine, a new 8beta-alkyl-cis-decahydroquinoline of Myrioneuron nutans.","Organic letters","2007","9","18","3531","3534","10.1021/ol071393a","","","0.71073","MoKα","","0.0365","0.0348","","","0.0897","0.0912","","","","","","1.102","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505508","11.014","0.007","10.562","0.005","11.34","0.02","90","","100.35","0.05","90","","1298","3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 N O6 S2 -","- C24 H35 N O6 S2 -","- C48 H70 N2 O12 S4 -","2","1","","Guaragna, Annalisa; D'Errico, Stefano; D'Alonzo, Daniele; Pedatella, Silvana; Palumbo, Giovanni","A general approach to the synthesis of 1-deoxy-L-iminosugars.","Organic letters","2007","9","17","3473","3476","10.1021/ol7014847","","","0.71069","MoKα","","0.1266","0.0483","","","0.1166","0.1403","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505530","6.1272","0.0008","11.9338","0.0016","10.1958","0.0013","90","","92.659","0.002","90","","744.72","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Cao, Chun-Li; Sun, Xiu-Li; Kang, Yan-Biao; Tang, Yong","Enantioselective formal [3+3] annulation for the direct construction of bicyclic skeletons with four stereogenic centers.","Organic letters","2007","9","21","4151","4154","10.1021/ol701669b","","","0.71073","MoKα","","0.0461","0.0443","","","0.1145","0.116","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505531","7.0918","0.0013","10.3796","0.0019","11.126","0.002","90","","98.132","0.003","90","","810.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 Br O4 -","- C17 H19 Br O4 -","- C34 H38 Br2 O8 -","2","1","","Cao, Chun-Li; Sun, Xiu-Li; Kang, Yan-Biao; Tang, Yong","Enantioselective formal [3+3] annulation for the direct construction of bicyclic skeletons with four stereogenic centers.","Organic letters","2007","9","21","4151","4154","10.1021/ol701669b","","","0.71073","MoKα","","0.0784","0.0476","","","0.1352","0.1619","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505539","12.568","0.007","16.286","0.009","24.219","0.014","90","","99.468","0.006","90","","4890","5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H72 Br N O4 -","- C52 H72 Br N O4 -","- C208 H288 Br4 N4 O16 -","4","2","","Xu, Zhen-Xiang; Zhang, Chun; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","A new approach to enantiopure inherently chiral calix[4]arenes: determination of their absolute configurations.","Organic letters","2007","9","22","4447","4450","10.1021/ol701714q","","","0.7107","MoKα","","0.0911","0.0677","","","0.1293","0.1411","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505540","13.7323","0.0006","13.6624","0.0006","32.8806","0.0017","90","","96.449","0.002","90","","6129.9","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64.5 H95 N3 O7.5 -","- C64.5 H95 N3 O7.5 -","- C258 H380 N12 O30 -","4","2","","Xu, Zhen-Xiang; Zhang, Chun; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","A new approach to enantiopure inherently chiral calix[4]arenes: determination of their absolute configurations.","Organic letters","2007","9","22","4447","4450","10.1021/ol701714q","","","0.7107","MoKα","","0.066","0.0597","","","0.1527","0.1578","","","","","","1.072","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505542","9.5653","0.0014","18.264","0.002","11.4924","0.0016","90","","101.294","0.002","90","","1968.9","0.5","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N3 O3 S -","- C17 H22 Br N3 O3 S -","- C68 H88 Br4 N12 O12 S4 -","4","2","","Perl, Nicholas R.; Leighton, James L.","Enantioselective imidazole-directed allylation of aldimines and ketimines.","Organic letters","2007","9","18","3699","3701","10.1021/ol701723w","","","0.71073","MoKα","","0.0861","0.0404","","","0.0984","0.1182","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505549","11.5379","0.0013","10.6801","0.0012","13.8158","0.0015","90","","100.801","0.005","90","","1672.3","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O6 -","- C35 H54 O6 -","- C70 H108 O12 -","2","1","","Korapala, Chandra Sekhar; Qin, Jun; Friestad, Gregory K.","Quinine synthesis studies: a radical-ionic annulation via Mn-mediated addition to chiral N-acylhydrazones.","Organic letters","2007","9","21","4243","4246","10.1021/ol7017938","","","0.71073","MoKα","","0.0464","0.0432","","","0.1107","0.1137","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505562","12.2363","0.0004","6.9249","0.0002","21.8636","0.0007","90","","91.375","0.001","90","","1852.08","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H53 N O5 S -","- C40 H53 N O5 S -","- C80 H106 N2 O10 S2 -","2","1","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.0352","0.0321","","","0.0807","0.0831","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505563","14.267","0.003","7.619","0.0016","34.013","0.007","90","","91.388","0.004","90","","3696.1","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O4 S -","- C25 H32 N2 O4 S -","- C150 H192 N12 O24 S6 -","6","3","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.0886","0.0663","","","0.1541","0.1658","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505566","9.786","0.001","10.0112","0.0011","10.4204","0.0011","90","","107.503","0.002","90","","973.62","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 -","- C18 H24 N2 O8 -","- C36 H48 N4 O16 -","2","1","","Namiki, Hidenori; Chamberland, Stephen; Gubler, Daniel A.; Williams, Robert M.","Synthetic and biosynthetic studies on FR900482 and mitomycin C: an efficient and stereoselective hydroxymethylation of an advanced benzazocane intermediate.","Organic letters","2007","9","26","5341","5344","10.1021/ol701960v","","","0.71073","MoKα","","0.0374","0.0368","","","0.103","0.104","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505583","9.3175","0.0008","16.5043","0.0013","12.3112","0.001","90","","109.498","0.002","90","","1784.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 Cl N O8 -","- C14 H20 Cl N O8 -","- C56 H80 Cl4 N4 O32 -","4","2","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0723","0.0602","","","0.1207","0.1278","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505586","12.532","0.003","21.325","0.004","19.032","0.004","90","","109.06","0.03","90","","4807","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 -","- C27 H30 Cl N O4 -","- C216 H240 Cl8 N8 O32 -","8","4","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.1359","0.1181","","","0.2518","0.2598","","","","","","1.165","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505588","17.558","0.003","5.4049","0.0009","20.711","0.003","90","","92.475","0.003","90","","1963.6","0.5","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O3 -","- C19 H31 N O3 -","- C76 H124 N4 O12 -","4","2","","Howard, Brett E.; Woerpel, K. A.","Synthesis of tertiary alpha-hydroxy acids by silylene transfer to alpha-keto esters.","Organic letters","2007","9","22","4651","4653","10.1021/ol702148x","","","0.71073","MoKα","","0.0945","0.0597","","","0.1453","0.1698","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1505595","10.4646","0.0003","7.4563","0.0002","13.8704","0.0004","90","","101.473","0.002","90","","1060.64","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C50 H50 N2 O8 -","2","1","","Su, Shun; Porco, Jr, John A","1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks.","Organic letters","2007","9","24","4983","4986","10.1021/ol702176h","","","0.71073","MoKα","","0.0585","0.0398","","","0.104","0.1131","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505648","7.2483","0.0004","5.7003","0.0003","10.8181","0.0006","90","","94.877","0.003","90","","445.36","0.04","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","2007ms02jh02d","(S)-3-amino-1,1,1-trifluoro-2-phenyl-propan-2-ol","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C18 H20 F6 N2 O2 -","2","1","","Tur, Fernando; Saá, José M","Direct, catalytic enantioselective nitroaldol (Henry) reaction of trifluoromethyl ketones: an asymmetric entry to alpha-trifluoromethyl-substituted quaternary carbons.","Organic letters","2007","9","24","5079","5082","10.1021/ol702434t","","x-ray","1.54178","CuKα","","0.045","0.044","","","0.1221","0.1236","","","","","","1.131","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505660","13.618","0.017","10.383","0.011","13.95","0.02","90","","116.34","0.04","90","","1768","4","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H37 Fe N3 P2 -","- C44 H37 Fe N3 P2 -","- C88 H74 Fe2 N6 P4 -","2","1","","Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi","ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.","Organic letters","2007","9","26","5557","5560","10.1021/ol702519f","","","0.7107","MoKα","","","0.0326","","","","0.0345","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505662","13.1833","0.0012","6.6134","0.0006","13.7973","0.0012","90","","109.32","0.01","90","","1135.19","0.19","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-2,4-Dinitrophenyl 3-(tert-butyldimethylsilyloxy|)-2-methoxy-4 -methylpent-4-enamide","","- C19 H29 N3 O7 Si -","- C19 H29 N3 O7 Si -","- C38 H58 N6 O14 Si2 -","2","1","","Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew","A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin.","Organic letters","2007","9","26","5565","5568","10.1021/ol7025262","","","0.71073","MoKα","","0.0425","0.0369","","","0.0945","0.0979","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505663","10.726","0.001","8.1169","0.0005","11.027","0.001","90","","115.27","0.01","90","","868.16","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","ozonide","[(1R,4S,5R,6R)-5-(tert-Butyl-dimethyl-silanyloxy)-6- methoxy-4-methyl-2,3,7-trioxa-bicyclo[2.2.1]hept-1-yl]- acetonitrile","","- C14 H25 N O5 Si -","- C14 H25 N O5 Si -","- C28 H50 N2 O10 Si2 -","2","1","","Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew","A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin.","Organic letters","2007","9","26","5565","5568","10.1021/ol7025262","","","0.71073","MoKα","","0.0281","0.0271","","","0.0728","0.0738","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505664","9.3539","0.0011","8.0181","0.0009","31.277","0.004","90","","97.27","0.002","90","","2326.9","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 O6 S -","- C27 H24 O6 S -","- C108 H96 O24 S4 -","4","2","","Lu, Ping; Ma, Shengming","Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.","Organic letters","2007","9","25","5319","5321","10.1021/ol702557s","","","0.71073","MoKα","","0.1305","0.0578","","","0.1198","0.1621","","","","","","0.775","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505673","17.36","0.004","9.944","0.002","18.696","0.004","90","","108.13","0.03","90","","3067.2","1.3","100","2","100","2","","","","","","","Synthetic","5","P 1 21 1","P 2yb","4","","(R)-7-Benzyloxy-2-methyl-4-(4-methylsulfanyl-phenyl)- 1,2,3,4-tetrahydro-isoquinoline (S)-(S)-2,3-Bis-(4-methyl-benzoyloxy)-succinic acid","","- C69 H71 N2 O11 S2 -","- C69 H71 N2 O11 S2 -","- C138 H142 N4 O22 S4 -","2","1","","Deng, Xiaohu; Liang, Jimmy T.; Liu, Jing; McAllister, Heather; Schubert, Carsten; Mani, Neelakandha S.","A Practical Synthesis of Enantiopure 7-Alkoxy-4-aryl-tetrahydroisoquinoline, a Dual Serotonin Reuptake Inhibitor/Histamine H3Antagonist","Organic Process Research & Development","2007","11","6","1043","","10.1021/op700183q","","x-ray","1.54178","CuKα","","0.0481","0.0479","","","0.1167","0.117","","","","","","1.201","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505675","8.9778","0.0008","5.9703","0.0008","12.6038","0.0013","90","","107.981","0.005","90","","642.57","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0434","0.0363","","","0.0633","0.0659","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505680","8.8996","0.0004","12.0769","0.0004","10.5206","0.0003","90","","90.695","0.002","90","","1130.67","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C46 H60 O14 -","2","1","","Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H.","Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.","Journal of medicinal chemistry","2006","49","7","2174","2185","10.1021/jm050578p","","","1.54178","CuKα","","0.0548","0.0496","","","0.1202","0.1245","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505762","14.193","0.004","7.299","0.002","17.052","0.005","90","","95.895","0.005","90","","1757.2","0.9","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71069","MoKα","","0.1209","0.096","","","0.2503","0.2656","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505763","7.89","0.005","15.945","0.005","13.063","0.005","90","0.005","94.588","0.005","90","0.005","1638.1","1.3","140","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Cu N4 O11 S2 -","- C27 H36 Cu N4 O11 S2 -","- C54 H72 Cu2 N8 O22 S4 -","2","1","","Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi","Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.","The journal of physical chemistry. B","2006","110","51","25565","25567","10.1021/jp065438l","","","0.71069","MoKα","","0.0717","0.069","","","0.1841","0.1854","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505801","6.2085","0.0012","9.7196","0.0019","15.606","0.003","90","","95.4","0.03","90","","937.6","0.3","293","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Huang, Ho-Cheng; Ahmed, Atallah F.; Su, Jui-Hsin; Chao, Chih-Hua; Wu, Yang-Chang; Chiang, Michael Y.; Sheu, Jyh-Horng","Crassolides A-F, cembranoids with a trans-fused lactone from the soft coral Sarcophyton crassocaule.","Journal of natural products","2006","69","11","1554","1559","10.1021/np060182w","","","0.71073","MoKα","","0.0923","0.0412","","","0.1004","0.1199","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505804","12.911","0.008","7.138","0.005","15.565","0.009","90","","92.7","0.02","90","","1432.9","1.6","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O5 -","- C30 H50 O5 -","- C60 H100 O10 -","2","1","","Grougnet, Raphaël; Magiatis, Prokopios; Mitaku, Sofia; Loizou, Stella; Moutsatsou, Paraskevi; Terzis, Aris; Cabalion, Pierre; Tillequin, François; Michel, Sylvie","seco-Cycloartane triterpenes from Gardenia aubryi.","Journal of natural products","2006","69","12","1711","1714","10.1021/np060273t","","","1.5418","CuKα","","0.0686","0.0534","","","0.1361","0.1513","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505805","9.7649","0.0009","4.8852","0.0003","11.8369","0.0011","90","","99.31","0.003","90","","557.22","0.08","298","","","","","","","","","","Natural Product","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0441","0.0375","","","0.0928","0.0986","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505816","11.2546","0.0012","7.2839","0.0008","23.607","0.003","90","","102.734","0.002","90","","1887.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Fe N O2 P -","- C21 H24 Fe N O2 P -","- C84 H96 Fe4 N4 O8 P4 -","4","2","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0484","0.0421","","","0.0892","0.0911","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505825","7.9843","0.0001","13.9102","0.0002","15.4291","0.0002","90","","91.059","0.001","90","","1713.31","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclopentylphosphorinane","","","- C14 H28 B F4 P -","- C14 H28 B F4 P -","- C56 H112 B4 F16 P4 -","4","2","","Brenstrum, Tim; Clattenburg, Julie; Britten, James; Zavorine, Serguei; Dyck, Jeff; Robertson, Alan J.; McNulty, James; Capretta, Alfredo","Phosphorinanes as ligands for palladium-catalyzed cross-coupling chemistry.","Organic letters","2006","8","1","103","105","10.1021/ol052579h","","","1.54178","CuKα","","0.0591","0.0571","","","0.1632","0.1679","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505843","7.7125","0.0008","5.1434","0.0005","11.7032","0.0011","90","","102.305","0.003","90","","453.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C20 H22 Br2 O2 -","2","1","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0455","0.0413","","","0.099","0.1007","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505855","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1934","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505877","17.779","0.003","5.731","0.001","9.827","0.002","90","","98.24","0.01","90","","991","0.3","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F3 N O5 -","- C21 H20 F3 N O5 -","- C42 H40 F6 N2 O10 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.035","","","","0.1","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505878","12.06","0.02","10.836","0.005","9.436","0.007","90","","104.83","0.09","90","","1192","2","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C52 H48 F6 N2 O8 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.037","","","","0.099","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505894","7.215","0.001","7.524","0.001","16.782","0.003","90","","92.21","0.03","90","","910.3","0.2","198","2","198","2","","","0","","","","synthetic","4","P 1 21 1","P 2yb","4","","vinylcyclopentan","","- C15 H30 O3 Si -","- C15 H30 O3 Si -","- C30 H60 O6 Si2 -","2","1","","Helmboldt, Hannes; Köhler, Daniel; Hiersemann, Martin","Synthesis of the norjatrophane diterpene (-)-15-acetyl-3-propionyl- 17-norcharaciol.","Organic letters","2006","8","8","1573","1576","10.1021/ol060115t","","x-ray","0.71073","MoKα","","0.049","0.0382","","","0.0964","0.1002","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505895","9.969","0.002","10.816","0.002","11.889","0.003","90","","112.1","0.004","90","","1187.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F3 N2 O S -","- C8 H13 F3 N2 O S -","- C32 H52 F12 N8 O4 S4 -","4","2","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.0694","0.0582","","","0.1399","0.1693","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505896","9.2287","0.0012","8.0025","0.001","10.3705","0.0014","90","","90.623","0.002","90","","765.84","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N2 O S -","- C13 H15 F3 N2 O S -","- C26 H30 F6 N4 O2 S2 -","2","1","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.037","0.0333","","","0.0749","0.0766","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505903","13.409","0.002","13.645","0.002","14.854","0.002","90","","103.485","0.002","90","","2642.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","deoxycholate anion receptor1","","","- C45 H60 Br2 Cl6 N4 O8 -","- C45 H60 Br2 Cl6 N4 O8 -","- C90 H120 Br4 Cl12 N8 O16 -","2","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.0918","0.0687","","","0.1542","0.1633","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505915","9.9905","0.0011","10.8313","0.0012","16.1426","0.0019","90","","99.003","0.003","90","","1725.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O4 -","- C40 H53 N O4 -","- C80 H106 N2 O8 -","2","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71069","MoKα","","0.0683","0.0409","","","0.0845","0.095","","","","","","0.811","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505927","9.129","0.006","12.031","0.003","9.871","0.007","90","","102.28","0.03","90","","1059.3","1.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0705","0.0653","","","0.1671","0.1721","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505933","15.362","0.002","10.6888","0.0014","16.338","0.002","90","","92.15","0.002","90","","2680.8","0.6","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C111 H106 B2 Cl6 F8 O12 P4 Rh2 -","2","1","","Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin","Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands.","Organic letters","2006","8","7","1479","1481","10.1021/ol060360c","","","0.71073","MoKα","","0.088","0.0494","","","0.1137","0.132","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505936","7.005","0.002","9.105","0.003","16.371","0.006","90","","93.84","0.01","90","","1041.8","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O9 -","- C21 H24 N2 O9 -","- C42 H48 N4 O18 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505937","7.5306","0.0004","13.0421","0.0007","15.3021","0.001","90","","91.971","0.004","90","","1502","0.15","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H46 O4 Si -","- C32 H31 O4 Si -","- C64 H62 O8 Si2 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","1.54187","CuKα","","","0.0651","","","","0.1858","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505942","7.4379","0.001","11.1077","0.0014","13.6905","0.0017","90","","102.016","0.002","90","","1106.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Reddy, Leleti Rajender; Corey, E. J.","Novel bicyclization reaction leading to a fused beta-lactone.","Organic letters","2006","8","8","1717","1719","10.1021/ol060464n","","","0.71073","MoKα","","0.0425","0.0393","","","0.0957","0.0977","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505948","8.523","0.002","9.314","0.002","17.357","0.004","90","","97.879","0.005","90","","1364.8","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","2","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0641","0.0473","","","0.0957","0.1065","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505956","7.9018","0.0007","13.9786","0.0014","12.2708","0.0011","90","","100.951","0.005","90","","1330.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O4 S Si -","- C25 H38 N2 O4 S Si -","- C50 H76 N4 O8 S2 Si2 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.077","0.044","","","0.075","0.082","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505957","12.0695","0.0007","7.0753","0.0002","18.1535","0.0011","90","","100.805","0.004","90","","1522.74","0.14","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C54 H96 O8 S2 Si4 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.072","0.047","","","0.088","0.097","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505961","11.594","0.002","9.74","0.0019","13.117","0.003","90","","111.1","0.03","90","","1381.9","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O17 -","- C23 H34 O17 -","- C46 H68 O34 -","2","1","","Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma.","Organic letters","2006","8","9","1937","1940","10.1021/ol060535i","","","0.71073","MoKα","","0.0922","0.0874","","","0.1777","0.1815","","","","","","1.231","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505992","18.862","0.003","22.782","0.003","19.734","0.003","90","","92.067","0.003","90","","8474","2","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84.5 H93 Cl3 N3 Ni O24 P2 -","- C84.5 H90 Cl3 N3 Ni O24 P2 -","- C338 H360 Cl12 N12 Ni4 O96 P8 -","4","2","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1934","0.1234","","","0.307","0.3641","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505993","10.5557","0.0009","11.3404","0.001","15.57","0.0013","90","","108.636","0.002","90","","1766.1","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N O6 S Si -","- C32 H50 N O6 S Si -","- C64 H100 N2 O12 S2 Si2 -","2","1","","García-Fortanet, Jorge; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Stereoselective synthesis of the cytotoxic macrolide FD-891.","Organic letters","2006","8","13","2695","2698","10.1021/ol060669w","","","0.71073","MoKα","","0.1685","0.0599","","","0.1116","0.1421","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506017","4.928","0.002","16.368","0.006","10.973","0.004","90","","93.41","0.03","90","","883.5","0.6","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","2S,3Z,8R-7-Oxo-deepoxysarcophytoxide","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.038","","","","0.056","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506018","10.863","0.004","8.753","0.003","14.46","0.005","90","","105.59","0.03","90","","1324.3","0.8","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid 1-isopropyl-4,7,11-trimethyl- 5,6,7,8,9,10-hexahydro-benzocyclodecen-8-yl ester","","","- C30 H37 F3 O3 -","- C30 H37 F3 O3 -","- C60 H74 F6 O6 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506029","9.051","0.003","8.794","0.002","25.949","0.009","90","","90.87","0.03","90","","2065.2","1.1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O2 -","- C20 H27 I N2 O2 -","- C80 H108 I4 N8 O8 -","4","2","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0677","0.059","","","0.137","0.1419","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506033","10.4432","0.0015","15.049","0.002","16.32","0.002","90","","97.977","0.003","90","","2540","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexyl bromo calixarene, dichloromethane","","- C53 H62 Br4 Cl2 O8 -","- C53 H62 Br4 Cl2 O8 -","- C106 H124 Br8 Cl4 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.1046","0.0447","","","0.0596","0.0674","","","","","","0.735","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506052","11.6497","0.0011","5.8377","0.0006","13.4469","0.0014","90","","100.394","0.005","90","","899.48","0.16","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H25 I N2 O5 -","- C16 H25 I N2 O5 -","- C32 H50 I2 N4 O10 -","2","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.1059","0.0998","","","0.2443","0.2546","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506058","11.065","0.001","13.713","0.001","11.397","0.001","90","","103.09","0.01","90","","1684.4","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O2 Sn -","- C37 H41 N O2 Sn -","- C74 H82 N2 O4 Sn2 -","2","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","0.71073","MoKα","","0.0258","0.0236","","","0.0544","0.0557","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506060","8.6041","0.0004","8.753","0.0004","11.3766","0.0005","90","","91.616","0.003","90","","856.45","0.07","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","1.54178","CuKα","","0.0414","0.0413","","","0.099","0.0992","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506061","9.76","0.0006","5.6869","0.0004","20.27","0.0013","90","","100.459","0.003","90","","1106.38","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O9 -","- C20 H31 N O9 -","- C40 H62 N2 O18 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","0.71073","MoKα","","0.0524","0.0439","","","0.1102","0.1165","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506072","5.424","0.002","7.937","0.003","11.566","0.005","90","","90.737","0.005","90","","497.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C18 H30 N2 O6 -","2","1","","Moriarty, Robert M.; Mitan, Carmen I.; Branza-Nichita, Norica; Phares, Kenneth R.; Parrish, Damon","exo-Imino to endo-iminocyclitol rearrangement. A general route to five-membered antiviral azasugars.","Organic letters","2006","8","16","3465","3467","10.1021/ol061071r","","","0.71073","MoKα","","0.1003","0.0844","","","0.2137","0.231","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506073","10.921","0.007","11.884","0.006","23.835","0.015","90","","102.14","0.02","90","","3024","3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O6 S -","- C32 H42 O6 S -","- C128 H168 O24 S4 -","4","2","","Hutchison, John M.; Lindsay, Harriet A.; Dormi, Silvana S.; Jones, Gavin D.; Vicic, David A.; McIntosh, Matthias C.","Approach to the synthesis of cladiell-11-ene-3,6,7-triol.","Organic letters","2006","8","17","3663","3665","10.1021/ol061072j","","","0.7107","MoKα","","0.1651","0.1436","","","0.3995","0.4212","","","","","","1.408","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506110","9.019","0.002","10.726","0.003","14.449","0.004","90","","105.111","0.004","90","","1349.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O8 -","- C26 H30 N5 O8 -","- C52 H60 N10 O16 -","2","1","","Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang","G-quartet formation from an N2-modified guanosine derivative","Organic Letters","2006","8","17","3685","3688","10.1021/ol061236w","","","0.71073","MoKα","","0.0919","0.0551","","","0.1266","0.1405","","","","","","0.942","","","","has coordinates","218622","2020-10-21","18:00:00",""
"1506121","9.244","0.0007","9.5634","0.001","13.502","0.002","90","","106.642","0.006","90","","1143.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)oxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]urea","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C48 H64 N8 O4 -","2","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0803","0.0484","","","0.0965","0.1063","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506134","7.577","0.008","8.208","0.011","13.461","0.015","90","","97.796","0.01","90","","829.4","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 O4 Si -","- C14 H26 O4 Si -","- C28 H52 O8 Si2 -","2","1","","Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B.","Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II.","Organic letters","2006","8","17","3781","3784","10.1021/ol061377y","","","0.71073","MoKα","","0.0723","0.0553","","","0.1129","0.12","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506152","10.5361","0.001","11.1344","0.001","13.6933","0.0012","90","","108.702","0.001","90","","1521.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turrapubesin A","","","- C31 H39 Cl O9 -","- C31 H39 Cl O9 -","- C62 H78 Cl2 O18 -","2","1","","Wang, Xiao-Ning; Yin, Sheng; Fan, Cheng-Qi; Wang, Fang-Dao; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Turrapubesins A and B, first examples of halogenated and maleimide-bearing limonoids in nature from Turraea pubescens.","Organic letters","2006","8","17","3845","3848","10.1021/ol061466a","","","0.71073","MoKα","","0.0703","0.0585","","","0.1598","0.168","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506154","6.0952","0.0003","16.8339","0.0008","11.9653","0.0006","90","","96.885","0.002","90","","1218.86","0.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O2 Si -","- C27 H29 N O2 Si -","- C54 H58 N2 O4 Si2 -","2","1","","Cho, Chang-Woo; Krische, Michael J.","Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.","Organic letters","2006","8","17","3873","3876","10.1021/ol061485k","","","0.71073","MoKα","","0.0572","0.0389","","","0.0784","0.0859","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506163","9.214","0.005","10.191","0.005","9.606","0.007","90","","111.68","0.03","90","","838.2","0.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.101","0.0542","","","0.1197","0.1403","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506167","6.0006","0.0008","8.0097","0.0011","14.4792","0.0019","90","","90.68","0.002","90","","695.86","0.16","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0444","0.0363","","","0.0748","0.0837","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506183","10.9634","0.0005","6.2492","0.0003","24.277","0.0017","90","","97.714","0.003","90","","1648.23","0.16","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O8 -","- C35 H33 N5 O8 -","- C70 H66 N10 O16 -","2","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0418","0.0357","","","0.0949","0.0996","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506206","13.1894","0.0018","5.199","0.001","17.152","0.003","90","","110.015","0.007","90","","1105.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 Br O5 -","- C26 H23 Br O5 -","- C52 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0514","0.0388","","","0.0816","0.0857","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506207","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506210","6.8719","0.0002","8.3968","0.0002","12.8819","0.0004","90","","98.659","0.002","90","","734.84","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl O3 S -","- C14 H17 Cl O3 S -","- C28 H34 Cl2 O6 S2 -","2","1","","Zhao, Hongda; Gorman, Jeffrey S. T.; Pagenkopf, Brian L.","Advances in Lewis acid controlled carbon-carbon bond-forming reactions enable a concise and convergent total synthesis of bullatacin.","Organic letters","2006","8","19","4379","4382","10.1021/ol061847o","","","0.71073","MoKα","","0.0487","0.0346","","","0.0626","0.0676","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506226","6.0231","0.0012","18.81","0.004","19.088","0.004","90","","91.44","0.03","90","","2161.9","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","2","","Kwiatkowski, Piotr; Majer, Jakub; Chaładaj, Wojciech; Jurczak, Janusz","Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate.","Organic letters","2006","8","22","5045","5048","10.1021/ol061943p","","","0.71073","MoKα","","0.0968","0.0811","","","0.2129","0.2279","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506231","6.951","0.003","7.903","0.004","14.659","0.004","90","","101.766","0.015","90","","788.4","0.6","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1171","0.0839","","","0.2011","0.2493","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506241","12.29","0.03","9.62","0.02","12.49","0.03","90","","100.76","0.03","90","","1451","6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 N2 O8 S -","- C25 H28 Cl2 N2 O8 S -","- C50 H56 Cl4 N4 O16 S2 -","2","1","","Li, Pixu; Forbeck, Erin M.; Evans, Cory D.; Joullié, Madeleine M","Trisubstituted aziridine ring-opening by phenol derivatives: stereo- and regioselective formation of chiral tertiary alkyl-aryl ethers.","Organic letters","2006","8","22","5105","5107","10.1021/ol062010w","","","0.71069","MoKα","","0.0921","0.0597","","","0.1435","0.2006","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506256","14.489","0.001","9.618","0.001","23.916","0.002","90","","91.48","0.004","90","","3331.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1208","","","- C36 H29 D3 N6 O4 S Zn -","- C36 H29 D3 N6 O4 S Zn -","- C144 H116 D12 N24 O16 S4 Zn4 -","4","2","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0468","0.0376","","","0.0867","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506257","9.3015","0.0001","15.645","0.0002","23.0613","0.0003","90","","95.222","0.004","90","","3342","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1123","","","- C75 H58 D8 N10 O8 S2 Zn2 -","- C75 H58 D8 N10 O8 S2 Zn2 -","- C150 H116 D16 N20 O16 S4 Zn4 -","2","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0581","0.044","","0.1021","","0.0961","","","1.056","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506285","7.942","0.005","10.334","0.006","19.787","0.012","90","","92.16","0.05","90","","1622.8","1.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O7 -","- C37 H52 N2 O7 -","- C74 H104 N4 O14 -","2","1","","Kushiro, Tetsuo; Hoshino, Masaki; Tsutsumi, Takehiko; Kawai, Ken-ichi; Shiro, Motoo; Shibuya, Masaaki; Ebizuka, Yutaka","Stereochemical course in water addition during LUP1-catalyzed triterpene cyclization.","Organic letters","2006","8","24","5589","5592","10.1021/ol062310d","","","0.71075","MoKα","","","0.053","","","","0.112","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506318","6.4138","0.0005","10.5196","0.0009","17.152","0.0014","90","","99.808","0.001","90","","1140.34","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 F2 N2 O4 S -","- C9 H9.5 F2.2 N2 O4 S -","- C36 H38 F8.8 N8 O16 S4 -","4","2","","Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling","Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.","Organic letters","2006","8","26","6083","6086","10.1021/ol062576k","","","0.71073","MoKα","","0.0618","0.0583","","","0.1624","0.1704","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506344","6.866","0.001","19.559","0.001","7.04","0.001","90","","97.132","0.002","90","","938.1","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","","Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna","Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter.","Journal of medicinal chemistry","2005","48","9","3337","3343","10.1021/jm0490235","","","0.7107","MoKα","","0.091","0.0677","","","0.1719","0.1913","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506367","8.484","0.005","19.347","0.005","19.586","0.005","90","","90.506","0.005","90","","3215","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H41 B N2 -","- C43 H41 B N2 -","- C172 H164 B4 N8 -","4","2","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71069","MoKα","","0.0692","0.0461","","","0.1036","0.1112","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506392","9.878","0.002","9.84","0.002","29.591","0.006","90","","90.29","0.03","90","","2876.2","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H26 S2 Si -","- C36 H24.5 S2 Si -","- C144 H98 S8 Si4 -","4","2","","Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole.","The journal of physical chemistry. B","2005","109","36","17086","17093","10.1021/jp051873o","","","0.71073","MoKα","","0.1434","0.1267","","","0.2861","0.292","","","","","","1.663","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506413","12.221","0.001","17.921","0.002","13.524","0.003","90","","107.82","0.01","90","","2819.8","0.8","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","(E)-6","(E)-2-tert-Butyl-9-(2,2,2-triphenylethylidene)fluorene","","- C37 H32 -","- C37 H32 -","- C148 H128 -","4","2","","Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando","Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.","The journal of physical chemistry. A","2005","109","51","11650","11654","10.1021/jp054345l","","","0.71073","MoKα","","0.1177","0.0599","","","0.1463","0.1809","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506422","10.2275","0.0011","18.585","0.002","11.7291","0.0012","90","","106.401","0.002","90","","2138.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H69 Li O5 -","- C42 H69 Li O5 -","- C84 H138 Li2 O10 -","2","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.0807","0.0504","","","0.1228","0.1376","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506458","7.574","0.006","27.38","0.02","15.555","0.014","90","","104.028","0.014","90","","3130","4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclo-bis(3-glycolyloxycholate)","","- C52 H80 O12 -","- C52 H79 O12 -","- C104 H158 O24 -","2","1","","Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday","Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination?","Organic letters","2005","7","8","1441","1444","10.1021/ol047462s","","","0.71073","MoKα","","0.087","0.0693","","","0.2081","0.2198","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506459","11.529","0.01","16.683","0.014","12.782","0.011","90","","98.895","0.015","90","","2429","4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclo-bis(3-glycolyloxycholate)","","- C52 H80 O12 -","- C52 H79 O12 -","- C104 H158 O24 -","2","1","","Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday","Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination?","Organic letters","2005","7","8","1441","1444","10.1021/ol047462s","","","0.71073","MoKα","","0.1313","0.0818","","","0.2119","0.2331","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506485","11.1945","0.0016","9.697","0.0015","26.431","0.004","90","","94.007","0.004","90","","2862.2","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H36 N3 O5 -","- C31 H36 N3 O5 -","- C124 H144 N12 O20 -","4","2","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.3045","0.1006","","","0.1723","0.2372","","","","","","0.758","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506490","7.638","0.0011","8.2565","0.0012","11.3453","0.0016","90","","95.765","0.003","90","","711.85","0.18","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.","Organic letters","2005","7","3","407","409","10.1021/ol0478178","","","0.71073","MoKα","","0.062","0.0532","","","0.1324","0.138","","","","","","0.975","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506493","10.2154","0.0008","21.8191","0.0017","11.5734","0.0009","90","","106.447","0.002","90","","2474.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O5 S2 -","- C24 H29 N O5 S2 -","- C96 H116 N4 O20 S8 -","4","2","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.06","0.04","","","0.0652","0.0695","","","","","","0.862","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506504","10.905","0.0006","9.0569","0.0007","13.2693","0.0007","90","","92.194","0.005","90","","1309.59","0.14","293","2","293","2","","","","","","","Synthetized from commercial glucuronolactone","5","P 1 21 1","P 2yb","4","","(3aR,4aS,5R,8aR,8bR)-2,2-dimethyl-8a(benzyloxyamino)-8-phenyl-7- (phenylsulfanyl)-3a,4a,5,6,8a,8b-hexahydrobenzo[4,5]furo[2,3-d][1,3]dioxol-5-ol","","- C30 H31 N O5 S -","- C30 H31 N O5 S -","- C60 H62 N2 O10 S2 -","2","1","","Fernández, Marta; Alonso, Ricardo","Tandem radical addition and cyclization of epsilon-substituted delta-yne ketimines.","Organic letters","2005","7","1","11","14","10.1021/ol048104s","","","1.54184","CuKα","","0.0709","0.0467","","","0.1193","0.1326","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506511","8.7438","0.0006","7.6589","0.0003","21.3498","0.0009","90","","90.022","0.003","90","","1429.75","0.13","293","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H36 Cl2 Cu N2 O4 -","- C28 H36 Cl2 Cu N2 O4 -","- C56 H72 Cl4 Cu2 N4 O8 -","2","1","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Enantioselective Friedel-Crafts alkylation reactions catalyzed by a chiral nonracemic C2-symmetric 2,2'-bipyridyl copper(II) complex.","Organic letters","2005","7","5","901","904","10.1021/ol050075d","","","1.5418","CuKα","","0.0521","0.0436","","0.148","0.0553","0.0553","","","","","","1.1741","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506552","9.2322","0.0015","17.385","0.003","9.8198","0.0016","90","","101.64","0.003","90","","1543.7","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 F N2 O9 -","- C30 H38 F N2 O9 -","- C60 H76 F2 N4 O18 -","2","1","","Nair, Vijay; Sreekumar, V.; Bindu, S.; Suresh, Eringathodi","Two unprecedented multicomponent reactions involving N-heterocyclic carbenes, activated acetylenes, and aldehydes.","Organic letters","2005","7","12","2297","2300","10.1021/ol0502782","","","0.71073","MoKα","","0.0528","0.0472","","","0.131","0.1439","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506553","11.791","0.002","17.038","0.003","17.969","0.004","90","","74.07","0.03","90","","3471.3","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H81 B N2 O2 P2 Ru -","- C78 H81 B N2 O2 P2 Ru -","- C156 H162 B2 N4 O4 P4 Ru2 -","2","1","","Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H.","Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions.","Organic letters","2005","7","9","1757","1759","10.1021/ol050336j","","","0.71073","MoKα","","0.2171","0.0703","","","0.1273","0.1752","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506557","6.9632","0.0014","9.5308","0.0017","15.805","0.003","90","","91.416","0.004","90","","1048.6","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Wu, Huifang; Thatcher, Linn N.; Bernard, Denzil; Parrish, Damon A.; Deschamps, Jeffrey R.; Rice, Kenner C.; MacKerell, Jr, Alexander D; Coop, Andrew","Position of coordination of the lithium ion determines the regioselectivity of demethylations of 3,4-dimethoxymorphinans with L-selectride.","Organic letters","2005","7","13","2531","2534","10.1021/ol050433c","","","0.71073","MoKα","","0.0599","0.0471","","","0.1171","0.1373","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506558","14.251","0.001","6.4802","0.0005","19.219","0.001","90","","97.679","0.003","90","","1758.9","0.2","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H52 O3 -","- C39 H52 O3 -","- C78 H104 O6 -","2","1","","Kumar, Nilesh; Kiuchi, Masatoshi; Tallarico, John A.; Schreiber, Stuart L.","Small-molecule diversity using a skeletal transformation strategy.","Organic letters","2005","7","13","2535","2538","10.1021/ol0504345","","","0.71073","MoKα","","0.1032","0.0697","","","0.1737","0.1952","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506562","10.059","0.0011","5.9759","0.0007","13.3917","0.0015","90","","108.39","0.002","90","","763.89","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C34 H36 N4 O10 -","2","1","","Alvarez de Cienfuegos, Luis; Mota, Antonio J.; Robles, Rafael","Convenient synthesis of nucleoside and isonucleoside analogues.","Organic letters","2005","7","11","2161","2164","10.1021/ol050496v","","","0.71073","MoKα","","0.0523","0.0479","","","0.1169","0.1199","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506563","7.872","0.001","7.923","0.001","9.822","0.001","90","","98.156","0.009","90","","606.4","0.13","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Yasuda, Makoto; Tanaka, Shin-Ya; Baba, Akio","Reductive cross-aldol reaction using bromoaldehyde and an aldehyde mediated by germanium(II): one-pot, large-scale protocol.","Organic letters","2005","7","9","1845","1848","10.1021/ol050533i","","","0.7107","MoKα","","","0.0521","","","","0.1256","","","","","","2.159","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506569","6.8517","0.0011","39.307","0.007","7.0654","0.0011","90","","115.035","0.003","90","","1724.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","2","","Morin, Matthew D.; Rychnovsky, Scott D.","Reductive spiroannulation of nitriles with secondary electrophiles.","Organic letters","2005","7","10","2051","2053","10.1021/ol050567q","","","0.71073","MoKα","","0.0752","0.0629","","","0.1711","0.1936","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506570","9.6051","0.0009","7.4837","0.0007","11.8595","0.0011","90","","99.663","0.002","90","","840.39","0.14","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Morin, Matthew D.; Rychnovsky, Scott D.","Reductive spiroannulation of nitriles with secondary electrophiles.","Organic letters","2005","7","10","2051","2053","10.1021/ol050567q","","","0.71073","MoKα","","0.0516","0.0376","","","0.089","0.0967","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506573","13.274","0.003","12.007","0.002","12.039","0.002","90","","94.65","0.03","90","","1912.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 Br N2 O3 -","- C18 H25 Br N2 O3 -","- C72 H100 Br4 N8 O12 -","4","2","","Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.","Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.","Organic letters","2005","7","12","2349","2352","10.1021/ol050599d","","","0.71073","MoKα","","0.1606","0.0424","","","0.0816","0.1231","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506574","9.6042","0.0019","11.448","0.002","17.97","0.004","90","","91.28","0.03","90","","1975.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N2 O3 -","- C19 H25.5 Br N2 O3 -","- C76 H102 Br4 N8 O12 -","4","2","","Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.","Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.","Organic letters","2005","7","12","2349","2352","10.1021/ol050599d","","","0.71073","MoKα","","0.174","0.0456","","","0.0835","0.1165","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506585","9.871","0.004","10.243","0.004","16.997","0.007","90","","90.397","0.007","90","","1718.5","1.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","2","","Kabalka, George W.; Yao, Min-Liang; Borella, Scott; Wu, Zhong-Zhi","Substitution of benzylic hydroxyl groups with vinyl moieties using vinylboron dihalides.","Organic letters","2005","7","14","2865","2867","10.1021/ol050778v","","","0.71073","MoKα","","0.0613","0.0501","","","0.1207","0.1313","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506590","15.6736","0.0016","11.2374","0.0011","28.466","0.003","90","","103.342","0.002","90","","4878.4","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl O4 P2 Pd Si2 -","- C53 H53 Cl O4 P2 Pd Si2 -","- C212 H212 Cl4 O16 P8 Pd4 Si8 -","4","2","","Ogasawara, Masamichi; Ngo, Helen L.; Sakamoto, Takeshi; Takahashi, Tamotsu; Lin, Wenbin","Applications of 4,4'-(Me3Si)2-BINAP in transition-metal-catalyzed asymmetric carbon-carbon bond-forming reactions.","Organic letters","2005","7","14","2881","2884","10.1021/ol050834s","","","0.71073","MoKα","","0.1299","0.081","","","0.1231","0.1399","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506609","7.1606","0.0001","8.5952","0.0001","11.1713","0.0001","90","","103.787","0.001","90","","667.748","0.014","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 I N O -","- C14 H14 I N O -","- C28 H28 I2 N2 O2 -","2","1","","King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E.","Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde.","Organic letters","2005","7","16","3437","3440","10.1021/ol051000c","","","1.54178","CuKα","","0.0795","0.0792","","","0.2106","0.2115","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506611","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506614","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Smith, 3rd, Amos B; Kim, Dae-Shik","Total synthesis of the neotropical poison-frog alkaloid (-)-205B.","Organic letters","2005","7","15","3247","3250","10.1021/ol0510264","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506618","6.1618","0.0002","32.2387","0.001","13.1435","0.0004","90","","90.552","0.002","90","","2610.81","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O12 -","- C25 H36 O12 -","- C100 H144 O48 -","4","2","","Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.","Organic letters","2005","7","14","3017","3020","10.1021/ol0510522","","","1.54178","CuKα","","0.074","0.0654","","","0.1755","0.1854","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506628","8.3834","0.0005","18.8291","0.0011","10.2686","0.0006","90","","98.088","0.001","90","","1604.79","0.16","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H51 Cl N4 O7 Rh2 -","- C27 H51 Cl N4 O7 Rh2 -","- C54 H102 Cl2 N8 O14 Rh4 -","2","1","","Catino, Arthur J.; Nichols, Jason M.; Forslund, Raymond E.; Doyle, Michael P.","Efficient aziridination of olefins catalyzed by mixed-valent dirhodium(II,III) caprolactamate.","Organic letters","2005","7","13","2787","2790","10.1021/ol0510973","","","0.71073","MoKα","","0.0334","0.0267","","","0.0597","0.0623","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506651","8.809","0.004","18.028","0.008","10.368","0.005","90","","96.8388","0.0019","90","","1634.8","1.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole","5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole","","- C18 H11 B Cl2 N2 O2 -","- C18 H11 B Cl2 N2 O2 -","- C72 H44 B4 Cl8 N8 O8 -","4","2","","Kano, Naokazu; Yoshino, Junro; Kawashima, Takayuki","Photoswitching of the Lewis acidity of a catecholborane bearing an azo group based on the change in coordination number of boron.","Organic letters","2005","7","18","3909","3911","10.1021/ol051337e","","","0.7107","MoKα","","0.0745","0.0453","","","0.0807","0.0939","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506664","7.247","0.0002","20.1918","0.0007","9.791","0.0004","90","","104.179","0.002","90","","1389.07","0.08","172","","","","","","","","","","Peters group","5","P 1 21 1","P 2yb","4","","","","- C34 H32 Fe N2 O -","- C34 H32 Fe N2 O -","- C68 H64 Fe2 N4 O2 -","2","1","","Peters, René; Fischer, Daniel F.","Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive.","Organic letters","2005","7","19","4137","4140","10.1021/ol051437k","","","0.71073","MoKα","","0.0786","0.0536","","","0.135","0.1569","","","","","","0.939","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506672","8.5041","0.0016","11.865","0.002","11.568","0.002","90","","103.149","0.003","90","","1136.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Pallerla, Mahesh K.; Fox, Joseph M.","Diastereoselective intermolecular Pauson-Khand reactions of chiral cyclopropenes.","Organic letters","2005","7","16","3593","3595","10.1021/ol051456u","","","0.71073","MoKα","","0.0444","0.0386","","","0.0863","0.0884","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506684","5.764","0.002","7.575","0.002","29.802","0.01","90","","90.45","0.03","90","","1301.2","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C25 H46 O5 -","- C25 H46 O5 -","- C50 H92 O10 -","2","1","","Hanessian, Stephen; Giroux, Simon; Buffat, Maxime","Total synthesis and structural confirmation of (+)-longicin.","Organic letters","2005","7","18","3989","3992","10.1021/ol051483k","","","1.54178","CuKα","","0.0794","0.0572","","","0.1518","0.1712","","","","","","0.909","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506702","8.4794","0.0003","6.8463","0.0003","10.1247","0.0005","90","","103.613","0.004","90","","571.25","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 O2 S2 -","- C11 H12 O2 S2 -","- C22 H24 O4 S4 -","2","1","","Wedel, Tobias; Podlech, Joachim","Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.","Organic letters","2005","7","18","4013","4015","10.1021/ol051670i","","","1.54178","CuKα","","0.0469","0.0447","","","0.1167","0.1221","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506705","10.7031","0.0017","7.6834","0.0011","14.286","0.002","90","","96.923","0.001","90","","1166.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 I O6 -","- C21 H33 I O6 -","- C42 H66 I2 O12 -","2","1","","Smith, 3rd, Amos B; Xian, Ming; Liu, Fenghua","Design, total synthesis, and evaluation of C13-C14 cyclopropane analogues of (+)-discodermolide.","Organic letters","2005","7","21","4613","4616","10.1021/ol051691c","","","0.71069","MoKα","","0.0282","0.0266","","","0.0633","0.0646","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506718","12.9029","0.0017","14.6931","0.0019","19.457","0.003","90","","107.321","0.002","90","","3521.5","0.8","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O4 -","- C34.5 H51 N4 O7.5 -","- C138 H204 N16 O30 -","4","2","","Amorín, Manuel; Brea, Roberto J.; Castedo, Luis; Granja, Juan R.","The smallest alpha,gamma-peptide nanotubulet segments: cyclic alpha,gamma-tetrapeptide dimers.","Organic letters","2005","7","21","4681","4684","10.1021/ol0518885","","x-ray","0.71073","MoKα","","0.097","0.0631","","","0.1652","0.1899","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506734","12.791","0.005","11.2002","0.0017","14.029","0.004","90","","112.75","0.02","90","","1853.5","1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H50 O3 S2 Si -","- C41 H50 O3 S2 Si -","- C82 H100 O6 S4 Si2 -","2","1","","Leung, Leo M. H.; Boydell, A. James; Gibson, Vicky; Light, Mark E.; Linclau, Bruno","A stereoselective cyclization to carbafuranose derivatives starting from 1,4-bis-epoxides.","Organic letters","2005","7","23","5183","5186","10.1021/ol052009h","","","0.71073","MoKα","","0.1453","0.0663","","","0.1067","0.1293","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506735","7.0222","0.0004","12.2044","0.0006","10.4549","0.0006","90","","95.631","0.001","90","","891.68","0.08","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","MPPIM-B","MPPIM-B","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","2","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.0294","0.0277","","","0.0582","0.0594","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506736","5.3861","0.0003","10.9679","0.0007","8.4107","0.0005","90","","107.867","0.001","90","","472.89","0.05","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","MPPIM-A","MPPIM-A","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.041","0.0354","","","0.0738","0.0782","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506749","10.9029","0.0002","19.5118","0.0003","12.269","0.0001","90","","94.684","0.001","90","","2601.33","0.07","277.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N4 O3.5 -","- C24 H27 Fe N4 O3.5 -","- C96 H108 Fe4 N16 O14 -","4","2","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.0874","","","","0.2285","","","","","","1.349","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506750","10.9323","0.0002","19.5778","0.0004","12.2868","0.0003","90","","94.683","0.002","90","","2620.97","0.1","277.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N4 O3.5 -","- C24 H27 Fe N4 O3.5 -","- C96 H108 Fe4 N16 O14 -","4","2","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.082","","","","0.2202","","","","","","1.388","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506767","12.647","0.003","11.666","0.003","20.496","0.005","90","","95.638","0.004","90","","3009.3","1.3","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 Fe2 N2 O4 -","- C34 H38 Fe2 N2 O4 -","- C136 H152 Fe8 N8 O16 -","4","2","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.061","","","","0.062","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506775","9.2671","0.0013","14.343","0.002","12.2312","0.0017","90","","95.604","0.002","90","","1618","0.4","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H60 O Si3 -","- C27 H59 O Si3 -","- C54 H118 O2 Si6 -","2","1","","Cleary, Pamela A.; Woerpel, K. A.","Metal-catalyzed rearrangement of homoallylic ethers to silylmethyl allylic silanes in the presence of a Di-tert-butylsilylene source.","Organic letters","2005","7","24","5531","5533","10.1021/ol052456x","","","0.71073","MoKα","","0.1215","0.1043","","","0.2569","0.2778","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506785","6.5512","0.0013","17.231","0.004","8.6956","0.0018","90","","104.558","0.003","90","","950.1","0.4","150","","150","","","","","","","","G. Murray","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0649","0.0516","","0.1099","0.1036","0.1099","","","","","","1.0371","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506795","6.1115","0.0013","13.323","0.003","8.8714","0.0019","90","","93.246","0.004","90","","721.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C28 H38 N2 O8 S2 -","2","1","","Kawulka, Karen E.; Sprules, Tara; Diaper, Christopher M.; Whittal, Randy M.; McKay, Ryan T.; Mercier, Pascal; Zuber, Peter; Vederas, John C.","Structure of subtilosin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives.","Biochemistry","2004","43","12","3385","3395","10.1021/bi0359527","","","0.71073","MoKα","","0.0561","0.0483","","","0.1151","0.1187","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506817","6.894","0.0014","12.355","0.003","13.064","0.003","90","","102.27","0.03","90","","1087.3","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C40 H32 N16 S4 -","4","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.1666","0.0765","","","0.215","0.2714","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506821","11.8218","0.001","17.0636","0.0015","18.9362","0.0016","90","","98.624","0.002","90","","3776.7","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H43 Fe2 N6 O4 S2 -","- C36 H43 Fe2 N6 O4 S2 -","- C144 H172 Fe8 N24 O16 S8 -","4","2","","Bediako-Amoa, Irene; Sutherland, Todd C.; Li, Chen-Zhong; Silerova, Roberta; Kraatz, Heinz-Bernhard","Electrochemical and Surface Study of Ferrocenoyl Oligopeptides","The Journal of Physical Chemistry B","2004","108","2","704","","10.1021/jp0368785","","","0.71073","MoKα","","0.1244","0.0839","","","0.1855","0.2056","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506847","8.6816","0.0009","4.8578","0.0005","26.25","0.003","90","","91.46","0.002","90","","1106.7","0.2","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-[(N-beta-D-glucopyranosyl)carbamoyl]dodecanoic acid","","- C20 H36 N Na O8 -","- C20 H36 N Na O8 -","- C40 H72 N2 Na2 O16 -","2","1","","Masuda, Mitsutoshi; Shimizu, Toshimi","Lipid Nanotubes and Microtubes: Experimental Evidence for Unsymmetrical Monolayer Membrane Formation from Unsymmetrical Bolaamphiphiles","Langmuir","2004","20","14","5969","","10.1021/la049085y","","","0.71073","MoKα","","0.0843","0.0771","","","0.1806","0.1843","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506865","15.184","0.012","32.51","0.02","15.639","0.01","90","","102.62","0.07","90","","7533","9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H116 O91 S6 -","- C108 H116 O91 S6 -","- C216 H232 O182 S12 -","2","1","","Takashima, Yoshinori; Oizumi, Yoshihumi; Sakamoto, Kazuya; Miyauchi, Masahiko; Kamitori, Shigehiro; Harada, Akira","Crystal Structure of the Complex of β-Cyclodextrin with Bithiophene and Their Oxidative Polymerization in Water","Macromolecules","2004","37","11","3962","3964","10.1021/ma049763n","","","0.7107","MoKα","","0.171","0.1163","","","0.2809","0.2937","","","","","","1.589","","","","has coordinates","219205","2020-10-21","18:00:00",""
"1506868","15.189","0.005","7.53","0.003","15.593","0.005","90","","95.72","0.03","90","","1774.5","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H62 O8 -","- C37 H62 O8 -","- C74 H124 O16 -","2","1","","Clericuzio, Marco; Mella, Mariella; Vita-Finzi, Paola; Zema, Michele; Vidari, Giovanni","Cucurbitane triterpenoids from Leucopaxillus gentianeus.","Journal of natural products","2004","67","11","1823","1828","10.1021/np049883o","","","0.71073","MoKα","","0.218","0.0607","","","0.109","0.1466","","","","","","0.971","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506879","7.5275","0.001","9.8141","0.0013","11.7768","0.0016","90","","96.537","0.002","90","","864.4","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","2","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0692","0.0521","","","0.1249","0.1315","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506884","13.9988","0.001","38.171","0.003","14.5336","0.0011","90","","114.387","0.001","90","","7073.1","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H88 O5 P4 Pt2 -","- C74 H83.25 O5 P4 Pt2 -","- C296 H333 O20 P16 Pt8 -","4","2","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1034","0.0676","","","0.1352","0.152","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506886","7.792","0.004","15.115","0.013","8.009","0.009","90","","98.12","0.06","90","","933.8","1.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C36 H60 N4 O8 -","2","1","","Periasamy, Mariappan; Sivakumar, Sangarappan; Reddy, Meda Narsi; Padmaja, Meduri","Toward homogeneity of chirality via selective formation of homochiral or heterochiral aggregates.","Organic letters","2004","6","2","265","268","10.1021/ol036240b","","","0.71073","MoKα","","0.0835","0.0549","","","0.1323","0.1516","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506914","15.128","0.0002","6.86","0.0001","19.886","0.0004","90","","104.813","0.0007","90","","1995.14","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Depsilairdin","","","- C38 H67 N3 O10 -","- C38 H67 N3 O10 -","- C76 H134 N6 O20 -","2","1","","Pedras, M Soledade C; Chumala, Paulos B.; Quail, J. Wilson","Chemical mediators: the remarkable structure and host-selectivity of depsilairdin, a sesquiterpenic depsipeptide containing a new amino acid.","Organic letters","2004","6","24","4615","4617","10.1021/ol0478786","","","0.71073","MoKα","","0.0611","0.0433","","","0.0845","0.0918","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506919","8.0032","0.0018","10.171","0.002","8.0938","0.0018","90","","99.584","0.005","90","","649.6","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O8 -","- C11 H14 O8 -","- C22 H28 O16 -","2","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0333","0.0291","","","0.0561","0.0572","","","","","","0.968","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506921","8.0511","0.0005","14.5143","0.001","8.4402","0.0006","90","","91.624","0.001","90","","985.89","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","2","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0358","0.034","","","0.0838","0.085","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506927","6.4482","0.0009","19.473","0.003","12.0535","0.0017","90","","102.17","0.003","90","","1479.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl5 N2 O2 S2 -","- C23 H31 Cl5 N2 O2 S2 -","- C46 H62 Cl10 N4 O4 S4 -","2","1","","Zhong, Yu-Wu; Izumi, Kenji; Xu, Ming-Hua; Lin, Guo-Qiang","Highly diastereoselective and enantioselective synthesis of enantiopure C2-Symmetrical vicinal diamines by reductive homocoupling of chiral N-tert-butanesulfinyl imines.","Organic letters","2004","6","25","4747","4750","10.1021/ol0479803","","","0.71073","MoKα","","0.1229","0.0526","","","0.0897","0.1081","","","","","","0.746","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506933","6.3777","0.001","14.081","0.0018","14.2429","0.0015","90","","97.89","0.014","90","","1267","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 N2 O5 S -","- C25 H22 Cl2 N2 O5 S -","- C50 H44 Cl4 N4 O10 S2 -","2","1","","Xu, Xin; Kotti, S. R. S. Saibabu; Liu, Junying; Cannon, John F.; Headley, Allan D.; Li, Guigen","Ionic liquid media resulted in the first asymmetric aminohalogenation reaction of alkenes.","Organic letters","2004","6","26","4881","4884","10.1021/ol048045i","","","0.71073","MoKα","","0.0723","0.0513","","","0.1161","0.1318","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506946","11.097","0.0004","7.218","0.0003","13.391","0.0007","90","","105.166","0.002","90","","1035.24","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N O6 V -","- C22 H22 N O6 V -","- C44 H44 N2 O12 V2 -","2","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0627","0.0519","","","0.1251","0.1396","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506948","8.8086","0.0007","8.4239","0.0006","11.2036","0.001","90","","113.233","0.003","90","","763.92","0.11","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.71073","MoKα","","0.08","0.0766","","","0.1357","0.1373","","","","","","1.327","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506949","10.2344","0.0002","9.9456","0.0003","15.2225","0.0004","90","","109.187","0.002","90","","1463.39","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C62 H84 N4 O8 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.7107","MoKα","","0.0686","0.0429","","","0.0803","0.09","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506951","8.6269","0.0003","6.722","0.0002","10.4529","0.0003","90","","92.173","0.002","90","","605.73","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.0401","0.0375","","","0.1341","0.1563","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506974","9.6476","0.0017","8.9745","0.0016","11.493","0.002","90","","97.917","0.003","90","","985.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 F3 N O5 S -","- C18 H26 F3 N O5 S -","- C36 H52 F6 N2 O10 S2 -","2","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0459","0.0421","","","0.1035","0.1059","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506976","7.3611","0.0006","36.908","0.003","11.4393","0.0009","90","","90.954","0.001","90","","3107.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H42 Cl N O6 -","- C31 H42 Cl N O6 -","- C124 H168 Cl4 N4 O24 -","4","2","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0519","0.0485","","","0.1159","0.1176","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506983","10.319","0.0011","10.573","0.0006","10.446","0.001","90","","114.405","0.005","90","","1037.85","0.17","298","","","","","","","","","","Nakamura laboratory","4","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 Si -","- C21 H28 O4 Si -","- C42 H56 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.1","0.091","","0.327","0.326","0.326","","","0.933","0.819","0.819","0.819","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506988","11.5143","0.0003","13.7567","0.0004","12.1798","0.0004","90","","115.37","0.0013","90","","1743.21","0.09","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H50 N2 O3 Si2 -","- C33 H50 N2 O3 Si2 -","- C66 H100 N4 O6 Si4 -","2","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0447","0.04","","","0.0996","0.1042","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506997","5.321","0.0008","18.986","0.003","9.2062","0.0014","90","","99.43","0.003","90","","917.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 F2 N O4 S -","- C17 H21 F2 N O4 S -","- C34 H42 F4 N2 O8 S2 -","2","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.0715","0.0528","","","0.0948","0.102","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507000","8.9324","0.0008","18.4511","0.0016","14.0752","0.0012","90","","92.582","0.002","90","","2317.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N2 O2.5 S -","- C22 H32 N2 O2.4405 S -","- C88 H128 N8 O9.762 S4 -","4","2","","Zhong, Yu-Wu; Xu, Ming-Hua; Lin, Guo-Qiang","Samarium diiodide-induced asymmetric synthesis of optically pure unsymmetrical vicinal diamines by reductive cross-coupling of nitrones with N-tert-butanesulfinyl imines.","Organic letters","2004","6","22","3953","3956","10.1021/ol048444d","","","0.71073","MoKα","","0.1232","0.059","","","0.1309","0.1845","","","","","","0.888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507005","9.6884","0.0011","17.902","0.002","11.163","0.0013","90","","93.511","0.002","90","","1932.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","03113b","","","- C18 H24 I N O3 -","- C18 H24 I N O3 -","- C72 H96 I4 N4 O12 -","4","2","","Koposov, Alexey Y.; Boyarskikh, Vyacheslav V.; Zhdankin, Viktor V.","Amino acid-derived iodobenzene dicarboxylates: reagents for oxidative conversion of alkenes to amino acid esters.","Organic letters","2004","6","20","3613","3615","10.1021/ol0484714","","","0.71073","MoKα","","0.0648","0.0513","","","0.1318","0.1418","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507006","9.5718","0.0009","6.7804","0.0006","19.5091","0.0018","90","","99.319","0.002","90","","1249.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 Cl2 O3 -","- C12 H14 Cl2 O3 -","- C48 H56 Cl8 O12 -","4","2","","Kim, Tae Woo; Kool, Eric T.","A set of nonpolar thymidine nucleoside analogues with gradually increasing size.","Organic letters","2004","6","22","3949","3952","10.1021/ol048487u","","","0.71073","MoKα","","0.0419","0.0345","","","0.0722","0.0742","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507021","8.6921","0.0002","17.7256","0.0004","13.3778","0.0003","90","","100.094","0.001","90","","2029.25","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 S2 Si2 -","- C44 H52 S2 Si2 -","- C88 H104 S4 Si4 -","2","1","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0958","0.0552","","","0.1131","0.1294","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507031","9.8136","0.001","37.446","0.004","15.032","0.0016","90","","90.095","0.002","90","","5524","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","4","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.1334","0.0852","","","0.1495","0.1701","","","","","","1.093","","","","has coordinates","218599","2020-10-21","18:00:00",""
"1507037","10.057","0.003","5.0142","0.0014","14.802","0.004","90","","102.739","0.006","90","","728.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C34 H30 Br2 O2 -","2","1","","Li, Ming; Yan, Xiao-Xia; Hong, Wei; Zhu, Xia-Zhen; Cao, Bo-Xun; Sun, Jie; Hou, Xue-Long","Palladium-catalyzed enantioselective ring opening of oxabicyclic alkenes with organozinc halides.","Organic letters","2004","6","16","2833","2835","10.1021/ol048816i","","","0.71073","MoKα","","0.1153","0.0676","","","0.1446","0.1676","","","","","","0.928","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507049","14.167","0.003","6.0636","0.0011","15.534","0.003","90","","101.632","0.008","90","","1307","0.4","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-(2'-Methylphenyl)ethanol (1S,2R)-2-amino-1,2-diphenylethanol benzoic acid","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C60 H66 N2 O8 -","2","1","","Kobayashi, Yuka; Kodama, Koichi; Saigo, Kazuhiko","Supramolecular architecture consisting of an enantiopure amine and an achiral carboxylic acid: application to the enantioseparation of racemic alcohols.","Organic letters","2004","6","17","2941","2944","10.1021/ol048948b","","","0.7107","MoKα","","","0.062","","","","0.109","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507081","21.1948","0.0005","13.666","0.0002","22.8714","0.0004","90","","108.989","0.0017","90","","6264.2","0.2","193","","193","","","","","","","","crystallised from diethyl ether/pentane","8","P 1 21 1","P 2yb","4","","(-)-[(eta4-1,5-cyclooctadiene)-{(4S)-2-[(2-(diphenylphosphino)- phenyl]-4,5-dihydro-4-isopropyl-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C64 H48 B F24 Ir N O P -","- C64 H48 B F24 Ir N O P -","- C256 H192 B4 F96 Ir4 N4 O4 P4 -","4","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0594","","","","0.0678","","","","","","1.0441","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507082","9.718","0.003","25.585","0.008","11.268","0.004","90","","113.919","0.007","90","","2561","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H74 N2 O7 -","- C57 H74 N2 O7 -","- C114 H148 N4 O14 -","2","1","","Cheng, Xu; Hou, Guo-Hua; Xie, Jian-Hua; Zhou, Qi-Lin","Synthesis and optical resolution of 9,9'-spirobifluorene-1,1'-diol.","Organic letters","2004","6","14","2381","2383","10.1021/ol0492546","","","0.71073","MoKα","","0.2024","0.0687","","","0.0785","0.1083","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507083","10.9347","0.0014","5.099","0.003","13.547","0.002","90","","109.07","0.012","90","","713.9","0.4","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.123","0.0496","","","0.0987","0.1292","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507093","7.202","0.004","19.885","0.01","17.54","0.009","90","","93.671","0.01","90","","2507","2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glyco-amino-acid","","","- C49 H62 N2 O14 -","- C49 H62 N2 O14 -","- C98 H124 N4 O28 -","2","1","","Sridhar, Perali Ramu; Ashalu, K. Chinna; Chandrasekaran, S.","Efficient methodology for the synthesis of 2-C-branched glyco-amino acids by ring opening of 1,2-cyclopropanecarboxylated sugars.","Organic letters","2004","6","11","1777","1779","10.1021/ol049467v","","","0.71073","MoKα","","0.0873","0.0523","","","0.1089","0.1273","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507110","10.6401","0.0015","15.19","0.002","11.1047","0.0015","90","","112.679","0.002","90","","1656","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 F2 N O5.5 -","- C15 H26 F2 N O5.5 -","- C60 H104 F8 N4 O22 -","4","2","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0324","0.0307","","","0.0684","0.0695","","","","","","1.002","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507119","14.8745","0.0004","6.4555","0.0002","15.485","0.0006","90","","104.52","0.0011","90","","1439.42","0.08","180","","180","","","","","","","","?","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O4 -","- C13 H26 O4 -","- C52 H104 O16 -","4","2","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A","Highly stereoselective intermolecular oxy-michael addition reaction to alpha,beta-unsaturated malonate esters.","Organic letters","2004","6","9","1357","1360","10.1021/ol049820x","","","0.71073","MoKα","","0.0725","0.0431","","0.0445","0.043","0.043","","","","","","1.1157","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507123","7.8615","0.0009","6.9727","0.0005","8.5838","0.0009","90","","91.877","0.013","90","","470.28","0.08","293","","173","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0393","0.0347","","","0.0825","0.0846","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507126","10.5733","0.001","8.6107","0.0008","17.3519","0.0016","90","","107.435","0.002","90","","1507.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Ho0 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Zanatta, Shannon D.; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of the proposed structure for spirofungin B: a reassignment of the stereochemistry.","Organic letters","2004","6","6","1041","1044","10.1021/ol049873e","","","","MoKα","","0.0592","0.0478","","","0.104","0.1087","","","","","","0.947","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507129","14.771","0.0008","6.763","0.0004","18.517","0.002","90","","97.923","0.002","90","","1832.1","0.2","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C38 H32 Br3 N O7 -","- C38 H32 Br3 N O7 -","- C76 H64 Br6 N2 O14 -","2","1","","Fujita, Tomoya; Nagasawa, Hideko; Uto, Yoshihiro; Hashimoto, Toshihiro; Asakawa, Yoshinori; Hori, Hitoshi","Synthesis of the new mannosidase inhibitors, diversity-oriented 5-substituted swainsonine analogues, via stereoselective Mannich reaction.","Organic letters","2004","6","5","827","830","10.1021/ol049947m","","","0.71073","MoKα","","0.0896","0.058","","","0.1577","0.1826","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507152","20.2712","0.0005","6.8588","0.0002","21.9489","0.0006","90","","109.756","0.001","90","","2872.07","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H39 O11.5 -","- C29 H36 O11.5 -","- C116 H144 O46 -","4","2","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0608","0.0589","","","0.1636","0.1671","","","","","","1.044","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507153","10.4064","0.0001","6.9552","0.0001","18.3789","0.0002","90","","102.053","0.001","90","","1300.91","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C54 H68 O16 -","2","1","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0554","0.0551","","","0.1617","0.1625","","","","","","1.057","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507177","17.5092","0.001","10.496","0.0006","18.0138","0.0011","90","","100.221","0.001","90","","3258","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H62 F12 Hg2 N6 O16 S4 -","- C56 H61 F12 Hg2 N6 O16 S4 -","- C112 H122 F24 Hg4 N12 O32 S8 -","2","1","","Ikeda, Mari; Matsu-Ura, Aya; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Hg(2+)-sensing system based on structures of complexes.","Organic letters","2012","14","6","1564","1567","10.1021/ol3002943","","","0.71073","MoKα","","0.0425","0.0381","","","0.0968","0.1035","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507178","11.7903","0.0003","4.7128","0.0001","12.0475","0.0003","90","","93.584","0.001","90","","668.11","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O -","- C16 H20 O -","- C32 H40 O2 -","2","1","","Ye, Juntao; Li, Suhua; Chen, Bo; Fan, Wu; Kuang, Jinqiang; Liu, Jinxian; Liu, Yu; Miao, Bukeyan; Wan, Baoqiang; Wang, Yuli; Xie, Xi; Yu, Qiong; Yuan, Weiming; Ma, Shengming","Catalytic asymmetric synthesis of optically active allenes from terminal alkynes.","Organic letters","2012","14","5","1346","1349","10.1021/ol300296k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0676","0.0677","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507184","7.5696","0.0002","5.8934","0.0002","14.6636","0.0005","90","","100.138","0.004","90","","643.94","0.04","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(4-fluorophenyl)ethynyl]azulene","","- C18 H11 F -","- C18 H11 F -","- C36 H22 F2 -","2","1","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0459","0.04","","","0.0977","0.1008","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507190","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Veerasamy, Nagarathanam; Carlson, Erik C.; Carter, Rich G.","Expedient enantioselective synthesis of cermizine d.","Organic letters","2012","14","6","1596","1599","10.1021/ol300342n","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507200","7.3848","0.0005","7.8147","0.0007","12.8239","0.0003","90","","104.222","0.006","90","","717.38","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,9R,9aR)-7-methoxy-1,2,3,4,9,10-hexahydro-4a,9a- (epoxyethano)-9,10-(epoxymethano)anthracene","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71073","MoKα","","0.052","0.0389","","","0.094","0.0997","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507261","6.5605","0.001","11.482","0.002","14.249","0.002","90","","97.436","0.003","90","","1064.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","01347","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Demeke, Damtew; Forsyth, Craig J.","Total synthesis and stereochemistry of (-)-cacospongionolide F.","Organic letters","2003","5","7","991","994","10.1021/ol027438j","","","0.71073","MoKα","","0.0797","0.0625","","","0.161","0.1725","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507262","17.061","0.001","9.5641","0.0005","20.408","0.001","90","","113.818","0.001","90","","3046.4","0.3","155.2","","","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C26.5 H27 Cl1.5 F6 N O P2 Pd S -","- C26.5 H27 Cl1.5 F6 N O P2 Pd S -","- C106 H108 Cl6 F24 N4 O4 P8 Pd4 S4 -","4","2","","Schenkel, Laurie B.; Ellman, Jonathan A.","Novel sulfinyl imine ligands for asymmetric catalysis.","Organic letters","2003","5","4","545","548","10.1021/ol027468m","","","0.7107","MoKα","","","0.0446","","","","0.0517","","","","","","1.168","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507264","11.32","0.02","5.801","0.005","11.58","0.02","90","","102.02","0.11","90","","744","2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C36 H32 O8 S2 -","2","1","","Clayden, Jonathan; Kenworthy, Martin N.; Helliwell, Madeleine","Dearomatizing cyclization of arylsulfonylalkoxymethyl lithiums: a route to the podophyllotoxin skeleton.","Organic letters","2003","5","6","831","834","10.1021/ol0340585","","","0.71069","MoKα","","0.0293","0.0288","","","0.0735","0.0741","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507265","11.9356","0.0015","6.2078","0.0008","11.9749","0.0015","90","","115.838","0.002","90","","798.57","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C38 H36 O8 S2 -","2","1","","Clayden, Jonathan; Kenworthy, Martin N.; Helliwell, Madeleine","Dearomatizing cyclization of arylsulfonylalkoxymethyl lithiums: a route to the podophyllotoxin skeleton.","Organic letters","2003","5","6","831","834","10.1021/ol0340585","","","0.71073","MoKα","","0.0392","0.0353","","","0.0804","0.0818","","","","","","0.976","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507266","9.2366","0.0005","10.0333","0.0007","13.871","0.001","90","","97.236","0.01","90","","1275.24","0.15","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O6 -","- C30 H35 N O6 -","- C60 H70 N2 O12 -","2","1","","Zhang, Yichao; Li, Chen; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F.","Novel antiinsectan oxalicine alkaloids from two undescribed fungicolous Penicillium spp.","Organic letters","2003","5","5","773","776","10.1021/ol0340686","","","0.71073","MoKα","","0.0548","0.04","","","0.0884","0.0952","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507268","11.805","0.0007","7.016","0.0005","15.317","0.001","90","","102.9","0.002","90","","1236.6","0.14","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H7 F15 N2 -","- C29 H7 F15 N2 -","- C58 H14 F30 N4 -","2","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.0908","0.054","","","0.1209","0.1426","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507278","6.1075","0.0004","12.7783","0.0009","16.3969","0.0012","90","","98.271","0.001","90","","1266.36","0.15","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 O3 S2 -","- C28 O3 S2 -","- C56 O6 S4 -","2","1","","Bear, Brian R.; Parnes, Jason S.; Shea, Kenneth J.","Progress toward the total synthesis of (+)-aldosterone: synthesis of the A-D rings.","Organic letters","2003","5","10","1613","1616","10.1021/ol034218c","","","0.71073","MoKα","","0.1377","0.1018","","","0.2674","0.3068","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507305","15.748","0.0015","8.6888","0.0008","21.24","0.002","90","","102.789","0.002","90","","2834.2","0.5","86","2","86","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(2-methyl-5-pheneyl-3-thienyl)- 2-[2-methyl-5-(4-(3-methyl-1-penten-1-yl) phenyl)-3-thienyl]perfluorocyclopenentene","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C132 H112 F24 S8 -","4","2","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.0946","0.0479","","","0.097","0.1125","","","","","","0.927","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507306","10.3986","0.0016","8.6686","0.0013","16.054","0.003","90","","100.89","0.003","90","","1421.1","0.4","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(2-methyl-5-pheneyl-3-thienyl)- 2-[2-methyl-5-(4-(3-methyl-1-penten-1-yl)phenyl)- 3-thienyl]perfluorocyclopenentene","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C66 H56 F12 S4 -","2","1","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.0455","0.0351","","","0.0791","0.0833","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507307","10.555","0.006","25.402","0.013","10.647","0.006","90","","91.697","0.006","90","","2853","3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,R,R)-1b","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C132 H112 F24 S8 -","4","2","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.2019","0.0931","","","0.2286","0.2971","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507309","10.157","0.0016","16.733","0.003","13.165","0.002","90","","104.326","0.003","90","","2167.9","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","02306a","","","- C18 H17 F3 I N O6 S -","- C18 H17 F3 I N O6 S -","- C72 H68 F12 I4 N4 O24 S4 -","4","2","","Zhdankin, Viktor V.; Koposov, Alexey Y.; Su, Liansheng; Boyarskikh, Vyacheslav V.; Netzel, Brian C.; Young, Jr, Victor G","Synthesis and structure of amino acid-derived benziodazoles: new hypervalent iodine heterocycles.","Organic letters","2003","5","9","1583","1586","10.1021/ol0344523","","","0.71073","MoKα","","0.0464","0.0411","","","0.1014","0.106","","","","","","1.101","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507318","6.8009","0.0002","26.0508","0.0009","7.0508","0.0003","90","","106.97","0.002","90","","1194.79","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O10 -","- C23 H26 N2 O10 -","- C46 H52 N4 O20 -","2","1","","Paterson, Ian; Ashton, Kate; Britton, Robert; Knust, Henner","Toward the synthesis of reidispongiolide a: stereocontrolled synthesis of the C17-C22 and C23-C35 degradation fragments.","Organic letters","2003","5","11","1963","1966","10.1021/ol034558y","","","0.71073","MoKα","","0.0542","0.0464","","","0.1139","0.1194","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507321","5.578","0.0006","17.6572","0.0016","20.963","0.002","90","","90.614","0.004","90","","2064.6","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0981","0.0814","","","0.2038","0.2125","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507324","9.3989","0.0009","10.2639","0.001","10.2739","0.001","90","","102.618","0.002","90","","967.18","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O6 -","- C18 H28 O6 -","- C36 H56 O12 -","2","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0509","0.0365","","","0.0807","0.0869","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507326","17.45","0.005","11.56","0.003","17.583","0.005","90","","117.887","0.005","90","","3135","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-oxo-1,4,4,8-tetramethyltricyclo[6.3.0.0(2,6)]undec-2(6)-en-7-yl 4-nitrobenzoate","","- C22 H25 N O5 -","- C22 H24.3333 N O5 -","- C132 H146 N6 O30 -","6","3","","Srikrishna, A.; Dethe, Dattatraya H.","Enantiospecific first total synthesis and assignment of absolute configuration of the sesquiterpene (-)-cucumin H.","Organic letters","2003","5","13","2295","2298","10.1021/ol034635p","","","0.71073","MoKα","","0.0875","0.0524","","","0.1093","0.1228","","","","","","0.878","","","","has coordinates","211413","2020-10-21","18:00:00",""
"1507329","11.8756","0.0011","7.0112","0.0005","20.7657","0.001","90","","104.975","0.005","90","","1670.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O6 -","- C33 H44 N2 O6 -","- C66 H88 N4 O12 -","2","1","","Armstrong, Alan; Scutt, James N.","Stereocontrolled synthesis of 3-(trans-2-aminocyclopropyl)alanine, a key component of belactosin A.","Organic letters","2003","5","13","2331","2334","10.1021/ol0346887","","","1.54178","CuKα","","0.0572","0.051","","","0.1403","0.1456","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507336","8.4096","0.0006","9.4818","0.0007","9.3272","0.0006","90","","96.961","0.001","90","","738.25","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A","Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.","Organic letters","2003","5","14","2531","2534","10.1021/ol0347803","","","0.71073","MoKα","","0.0293","0.0284","","","0.0671","0.068","","","","","","0.611","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507339","6.013","0.001","8.5395","0.0012","12.3197","0.0015","90","","101.529","0.005","90","","619.83","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Organic crystal MJ-450E K182 2,3-O-(1-Methylethylidene)-5,5-di-C- methyl-α-L-lyxofuranose [6-Deoxy-5-C-methyl-2,3-O-(1-methylethylidene)- α-L-lyxo-hexofuranose] (9a).","","- C10 H20 O6 -","- C10 H20 O6 -","- C20 H40 O12 -","2","1","","Jeselnik, Marjan; Leban, Ivan; Polanc, Slovenko; Kocevar, Marijan","D-Gulonolactone as a synthon for L-noviose: first preparation of 4-O-demethyl-L-noviofuranose and related derivatives.","Organic letters","2003","5","15","2651","2653","10.1021/ol034796t","","","0.71073","MoKα","","0.037","0.0356","","","0.1023","0.104","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507347","9.2851","0.0017","19.449","0.004","14.737","0.003","90","","97.091","0.003","90","","2640.9","0.9","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H43 O4 -","- C27 H43.5 O4 -","- C108 H174 O16 -","4","2","","Myers, Michael C.; Witschi, Mark A.; Larionova, Nataliya V.; Franck, John M.; Haynes, Russell D.; Hara, Toshiaki; Grajkowski, Andrzej; Appella, Daniel H.","A cyclopentane conformational restraint for a peptide nucleic acid: design, asymmetric synthesis, and improved binding affinity to DNA and RNA.","Organic letters","2003","5","15","2695","2698","10.1021/ol0348811","","","0.71073","MoKα","","0.1603","0.073","","","0.1613","0.2029","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507357","15.186","0.001","13.755","0.001","16.028","0.001","90","","112.33","0.001","90","","3096.9","0.4","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H46 Cl14 N2 O6 P2 Pt -","- C48 H44 Cl8 N2 O6 P2 Pt -","- C96 H88 Cl16 N4 O12 P4 Pt2 -","2","1","","Clochard, Magali; Mattmann, Eric; Mercier, François; Ricard, Louis; Mathey, François","Phosphinites derived from the 7-phosphanorbornene skeleton: first results in asymmetric catalysis.","Organic letters","2003","5","17","3093","3094","10.1021/ol035067g","","","0.71069","MoKα","","0.0672","0.0598","","","0.1583","0.1628","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507372","8.604","0.002","8.287","0.002","10.11","0.002","90","","107.15","0.03","90","","688.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C26 H32 O8 S2 -","2","1","","Díez, David; Garcia, P.; Marcos, Isidro S.; Garrido, N. M.; Basabe, P.; Broughton, Howard B.; Urones, Julio G.","Stereocontrolled synthesis of cyclopropanol amino acids from allylic sulfones: conformationally restricted building blocks.","Organic letters","2003","5","20","3687","3690","10.1021/ol035451d","","","1.5418","CuKα","","0.1172","0.1098","","0.2733","0.262","","","","1.071","1.08","1.08","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507374","9.57","0.002","10.258","0.003","12.102","0.003","90","","92","0.02","90","","1187.3","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H N O7 -","- C23 H36 N O5 -","- C46 H72 N2 O10 -","2","1","","Patel, Samir K.; Murat, Karine; Py, Sandrine; Vallée, Yannick","Asymmetric total synthesis and stereochemical elucidation of the antitumor agent PM-94128.","Organic letters","2003","5","22","4081","4084","10.1021/ol035470n","","","1.5418","CuKα","","0.0569","0.0569","","0.0873","","0.0873","","","2.35","","","2.35","","","","has coordinates","189961","2020-10-21","18:00:00",""
"1507381","8.1024","0.001","10.0673","0.0012","16.2","0.002","90","","90.776","0.002","90","","1321.3","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 Br2 O8 -","- C26 H24 Br2 O8 -","- C52 H48 Br4 O16 -","2","1","","Zhou, Gang; Hu, Qi-Ying; Corey, E. J.","Useful enantioselective bicyclization reactions using an N-protonated chiral oxazaborolidine as catalyst.","Organic letters","2003","5","21","3979","3982","10.1021/ol035542a","","","0.71073","MoKα","","0.0392","0.0355","","","0.0929","0.0948","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507386","7.14","0.003","21.77","0.009","7.897","0.003","90","","94.467","0.007","90","","1223.8","0.9","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Jang, Doo Ok; Kim, Dwight D.; Pyun, Do Kyu; Beak, Peter","Synthesis of highly enantioenriched all-carbon quaternary centers: conjugate additions of chiral organolithium nucleophiles to alpha,alpha-dinitrile beta,beta-disubstituted olefins.","Organic letters","2003","5","22","4155","4157","10.1021/ol035601k","","","0.71073","MoKα","","0.0859","0.0534","","","0.099","0.1088","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507405","8.7099","0.0001","8.5749","0.0001","17.4951","0.0003","90","","99.11","0.001","90","","1290.17","0.03","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H40 O5 Si2 -","- C22 H40 O5 Si2 -","- C44 H80 O10 Si4 -","2","1","","Yu, Ming; Pagenkopf, Brian L.","Allylation of donor‒acceptor cyclopropanes.","Organic letters","2003","5","24","4639","4640","10.1021/ol0357898","","","0.71073","MoKα","","0.0494","0.0423","","","0.1034","0.1083","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507413","9.6272","0.0009","8.7501","0.0006","30.305","0.002","90","","90.34","0.01","90","","2552.8","0.3","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","2","","White, James D.; Wang, Guoqiang; Quaranta, Laura","Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.","Organic letters","2003","5","26","4983","4986","10.1021/ol035939e","","","1.54184","CuKα","","0.0491","0.0445","","","0.1235","0.1299","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507414","9.4202","0.0008","6.8832","0.0006","12.5381","0.0009","90","","101.54","0.009","90","","796.55","0.12","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","White, James D.; Wang, Guoqiang; Quaranta, Laura","Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.","Organic letters","2003","5","26","4983","4986","10.1021/ol035939e","","","1.54184","CuKα","","0.0334","0.0331","","","0.0874","0.0878","","","","","","1.078","","","","has coordinates","288313","2023-12-14","15:20:50",""
"1507417","9.3582","0.0003","11.2325","0.0003","11.0655","0.0004","90","","94.2238","0.0012","90","","1160","0.06","150","","150","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C31 H22 N P -","- C31 H22 N P -","- C62 H44 N2 P2 -","2","1","","Lim, Chung Woo; Tissot, Olivier; Mattison, Andrew; Hooper, Mark W.; Brown, John M.; Cowley, Andrew R.; Hulmes, David I.; Blacker, A. John","Practical Preparation and Resolution of 1-(2‘-Diphenylphosphino-1‘-naphthyl)isoquinoline: A Useful Ligand for Catalytic Asymmetric Synthesis","Organic Process Research & Development","2003","7","3","379","","10.1021/op034007n","","","0.71073","MoKα","","","0.0327","","","","0.0331","","","","","","1.0648","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507434","7.639","0.004","9.002","0.004","14.719","0.003","90","","91.3","0.02","90","","1011.9","0.7","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O4 -","- C22 H26 N O4 -","- C44 H52 N2 O8 -","2","1","","Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi","Short Total Synthesis of (+)-Madindolines A and B","Organic Letters","2002","4","4","501","","10.1021/ol017058i","","","1.5418","CuKα","","","0.0981","","","","0.1207","","","","","","4.573","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507437","14.6699","0.0005","7.7774","0.0003","21.9785","0.0008","90","","107.13","0.003","90","","2396.37","0.16","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H72 I N O7 Si2 -","- C45 H72 I N O7 Si2 -","- C90 H144 I2 N2 O14 Si4 -","2","1","","Hale, Karl J.; Dimopoulos, Paschalis; Cheung, Maxine L. F.; Frigerio, Mark; Steed, Jonathan W.; Levett, Philip C.","A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin","Organic Letters","2002","4","6","897","900","10.1021/ol017266a","","","0.71073","MoKα","","0.1218","0.0921","","","0.1143","0.1227","","","","","","1.154","","","","has coordinates","218670","2020-10-21","18:00:00",""
"1507444","17.185","0.004","7.408","0.0012","10.45","0.009","90","","102.4","0.03","90","","1299.3","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H44 N0 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto","A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins","Organic Letters","2002","4","8","1295","","10.1021/ol025580e","","","1.5418","CuKα","","0.092","0.079","","","0.1975","0.1997","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507445","12.57","0.002","5.901","0.001","16.872","0.003","90","","90.64","0.1","90","","1251.4","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N0 O5 -","- C28 H46 O5 -","- C56 H92 O10 -","2","1","","Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto","A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins","Organic Letters","2002","4","8","1295","","10.1021/ol025580e","","","0.947","Synchrotron","","0.0455","0.0451","","","0.105","0.105","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507452","8.958","0.002","6.548","0.003","11.546","0.002","90","","107.92","0.02","90","","644.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bromo Himbacine derivative","(3S,3aR,8aR,9aR)-1,3,3a,5,6,7,8,8a,9,9a-decahydro-4-bromo-3- methylnaphto{2,3-c}furan-1(3H)-one","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C26 H34 Br2 O4 -","2","1","","Van Cauwenberge, Gunther; Gao, Ling-Jie; Van Haver, Dirk; Milanesio, Marco; Viterbo, Davide; De Clercq, Pierre J.","A Novel Short Convergent Entry into Himbacine Derivatives","Organic Letters","2002","4","9","1579","","10.1021/ol025801g","","","0.71069","MoKα","","0.1402","0.1069","","","0.2418","0.2724","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507453","7.5807","0.001","15.193","0.002","11.4579","0.0014","90","","95.296","0.003","90","","1314","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N O2 P -","- C30 H32 N O2 P -","- C60 H64 N2 O4 P2 -","2","1","","Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D.","A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation†","Organic Letters","2002","4","9","1615","","10.1021/ol0258233","","","0.71073","MoKα","","0.0775","0.0491","","","0.0855","0.0955","","","","","","1.007","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507454","14.0092","0.0008","11.9178","0.0007","16.5822","0.001","90","","114.921","0.001","90","","2510.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 N O2 P -","- C29 H30 N O2 P -","- C116 H120 N4 O8 P4 -","4","2","","Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D.","A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation†","Organic Letters","2002","4","9","1615","","10.1021/ol0258233","","","0.71073","MoKα","","0.0479","0.0415","","","0.1012","0.1057","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507473","8.609","0.0003","5.81","0.0002","12.628","0.0005","90","0.01","105.779","0.002","90","0.01","607.83","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-diphenyl-2,3-epoxypropan-1-ol","","- C15 H14 O2 -","- C15 H13 O2 -","- C30 H26 O4 -","2","1","","Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio","Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives","Organic Letters","2002","4","14","2445","","10.1021/ol026212d","","","0.71073","MoKα","","0.0723","0.0662","","","0.1602","0.1727","","","","","","1.235","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507479","17.1716","0.0013","6.2714","0.0007","19.602","0.003","90","","90.762","0.01","90","","2110.8","0.4","299","2","299","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","UCS1025A monohydrate","(2aR,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-hydroxymethylene}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione monohydrate","","- C20 H27 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","2","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.1509","0.1177","","0.3221","0.2792","","","","1.088","1.187","1.187","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507482","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507490","10.0266","0.0002","19.7098","0.0005","10.6355","0.0003","90","","103.203","0.0009","90","","2046.25","0.09","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C48 H38 Cu N3 O3 P2 -","- C48 H38 Cu N3 O3 P2 -","- C96 H76 Cu2 N6 O6 P4 -","2","1","","Bates, Craig G.; Saejueng, Pranorm; Murphy, Jaclyn M.; Venkataraman, D.","Synthesis of 2-arylbenzo[b]furans via copper(I)-catalyzed coupling of o-iodophenols and aryl acetylenes.","Organic letters","2002","4","26","4727","4729","10.1021/ol0272040","","","0.71073","MoKα","","0.0241","0.0228","","","0.0581","0.0593","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507502","12.398","0.003","9.766","0.003","16.128","0.003","90","","95.65","0.02","90","","1943.3","0.8","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","2","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0503","0.0432","","0.1151","0.1056","","","","1.037","1.054","1.054","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507510","9.0192","0.0012","4.9332","0.0006","15.1987","0.0019","90","","106.981","0.002","90","","646.76","0.14","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br Cl O3 -","- C12 H12 Br Cl O3 -","- C24 H24 Br2 Cl2 O6 -","2","1","","Evans, David A.; Burch, Jason D.","Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain","Organic Letters","2001","3","4","503","","10.1021/ol0155182","","","0.71073","MoKα","","0.0597","0.0393","","","0.0952","0.1046","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507512","9.8354","0.001","9.7459","0.0009","12.7953","0.0013","90","","92.642","0.002","90","","1225.2","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br2 O6 -","- C24 H25 Br2 O6 -","- C48 H50 Br4 O12 -","2","1","","Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A.","Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules","Organic Letters","2001","3","11","1649","","10.1021/ol0159367","","","0.71073","MoKα","","0.0571","0.0362","","","0.0737","0.0819","","","","","","0.867","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507517","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.68","0.09","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0511","0.03","","0.0814","","0.039","","","1.221","","","1.221","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507544","8.3003","0.0005","13.8825","0.0008","11.6167","0.0007","90","","97.16","0.003","90","","1328.14","0.14","118","2","118","2","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C25 H45 N3 O4 S -","- C25 H45 N3 O4 S -","- C50 H90 N6 O8 S2 -","2","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.0518","0.0508","","","0.1301","0.1311","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507546","11.335","0.009","5.24","0.008","13.442","0.01","90","","104.1","0.05","90","","774.3","1.5","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","McAuley, Barry J.; Nieuwenhuyzen, Mark; Sheldrake, Gary N.","An Unusual Samarium Diiodide Mediated Reductive Ring Contraction of a Tricyclic Oxazine to a Highly-Functionalized Cyclopentane and Cyclobutane","Organic Letters","2000","2","10","1457","","10.1021/ol000057q","","","0.71073","MoKα","","0.1279","0.0608","","","0.1195","0.1466","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507549","12.044","0.002","25.471","0.002","14.6318","0.0015","90","","113.524","0.009","90","","4115.6","0.9","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H100 F12 N4 O20 P2 -","- C80 H100 F12 N4 O20 P2 -","- C160 H200 F24 N8 O40 P4 -","2","1","","Chang, Theresa; Heiss, Aaron M.; Cantrill, Stuart J.; Fyfe, Matthew C. T.; Pease, Anthony R.; Rowan, Stuart J.; Stoddart, J. Fraser; Williams, David J.","Toward Interlocked Molecules beyond Catenanes and Rotaxanes","Organic Letters","2000","2","19","2943","","10.1021/ol006187g","","","1.54178","CuKα","","0.0678","0.0615","","0.1729","0.1639","","","","1.041","1.053","1.053","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507555","10.546","0.001","12.55","0.001","10.674","0.001","90","","112.15","0.01","90","","1308.5","0.2","299","","299","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 N2 O7 P S -","- C23 H33 N2 O7 P S -","- C46 H66 N4 O14 P2 S2 -","2","1","","Amspacher, David R.; Blanchard, Carol Z.; Fronczek, Frank R.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.","Synthesis of a Reaction Intermediate Analogue of Biotin-Dependent Carboxylases via a Selective Derivatization of Biotin","Organic Letters","1999","1","1","99","","10.1021/ol990026z","","","1.54184","Cu-Kα","","0.128","0.096","","0.104","0.104","","","","4.756","4.753","4.753","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507563","7.274","0.008","5.066","0.006","17.43","0.02","90","","98.53","0.03","90","","635.2","1.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","","Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.","Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.","Journal of natural products","2012","75","4","707","715","10.1021/np2009994","","","0.71073","MoKα","","0.1044","0.071","","","0.1596","0.172","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507564","10.6276","0.0004","17.6706","0.0006","12.8917","0.0004","90","","104.187","0.002","90","","2347.17","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H60 N6 O9 -","- C53 H60 N6 O9 -","- C106 H120 N12 O18 -","2","1","","Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.","Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.","Journal of natural products","2012","75","4","707","715","10.1021/np2009994","","","1.54178","CuKα","","0.0316","0.0316","","","0.0845","0.0845","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1507573","13.2199","0.0007","13.2515","0.0006","26.9912","0.0014","90","","90.321","0.004","90","","4728.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O3 S -","- C24 H29 N O3 S -","- C192 H232 N8 O24 S8 -","8","4","","Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.","BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.","Organic letters","2012","14","7","1784","1787","10.1021/ol3003783","","","1.54178","CuKα","","0.0649","0.0499","","0.1232","0.1164","","","","1.009","1.071","1.071","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507585","10.086","0.0002","10.0695","0.0002","11.2217","0.0002","90","","96.911","0.001","90","","1131.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Assembly of Spirooxindole Derivatives Containing Four Consecutive Stereocenters via Organocatalytic Michael-Henry Cascade Reactions.","Organic letters","2012","14","7","1834","1837","10.1021/ol300441z","","","1.54178","CuKα","","0.0316","0.0311","","","0.081","0.0816","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507596","10.3022","0.0006","6.6239","0.0004","14.3858","0.0009","90","","106.691","0.001","90","","940.34","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S2 -","- C20 H21 N O3 S2 -","- C40 H42 N2 O6 S4 -","2","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.0291","0.0284","","","0.074","0.0748","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507617","5.7129","0.0005","14.9506","0.0011","6.4594","0.0005","90","","112.684","0.003","90","","509.03","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,4S,5R,6S)-2-acetoxy-4-methylbicyclo[3.2.0]heptane-4,6-diol","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Farcet, Jean-Baptiste; Himmelbauer, Martin; Mulzer, Johann","A Non-Photochemical Approach to the Bicyclo[3.2.0]heptane Core of Bielschowskysin.","Organic letters","2012","14","9","2195","2197","10.1021/ol3006419","","","0.71073","MoKα","","0.0529","0.0419","","","0.1038","0.1091","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507621","10.0464","0.0001","7.8254","0.0001","19.3562","0.0003","90","","102.457","0.001","90","","1485.9","0.03","180","2","180","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Kinghorn 1832","","","- C29 H42 O13 S -","- C29 H42 O13 S -","- C58 H84 O26 S2 -","2","1","","Pan, Li; Terrazas, Cesar; Lezama-Davila, Claudio M; Rege, Nirmala; Gallucci, Judith C.; Satoskar, Abhay R.; Kinghorn, A. Douglas","Cordifolide A, a Sulfur-Containing Clerodane Diterpene Glycoside from Tinospora cordifolia.","Organic letters","2012","14","8","2118","2121","10.1021/ol300657h","","x-ray","0.71073","MoKα","","0.0465","0.0358","","","0.0837","0.0888","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507642","10.4392","0.0015","9.92","0.0014","12.0446","0.0017","90","","112.125","0.002","90","","1155.5","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Br N2 O5 S -","- C24 H23 Br N2 O5 S -","- C48 H46 Br2 N4 O10 S2 -","2","1","","Hou, Wenduan; Zheng, Bo; Chen, Jun; Peng, Yungui","Asymmetric synthesis of polysubstituted 4-amino- and 3,4-diaminochromanes with a chiral multifunctional organocatalyst.","Organic letters","2012","14","9","2378","2381","10.1021/ol300798t","","","0.71073","MoKα","","0.0384","0.0355","","","0.0986","0.1006","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507667","8.3956","0.0008","13.8645","0.0014","14.431","0.0015","90","","91.624","0.002","90","","1679.1","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H13 Br2 N O3 -","- C18 H13 Br2 N O3 -","- C72 H52 Br8 N4 O12 -","4","2","","Trost, Barry M.; Hirano, Keiichi","Dinuclear zinc catalyzed asymmetric spirannulation reaction: an umpolung strategy for formation of α-alkylated-α-hydroxyoxindoles.","Organic letters","2012","14","10","2446","2449","10.1021/ol300577y","","","0.71073","MoKα","","0.0414","0.0343","","","0.0745","0.0767","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507669","5.6319","0.0002","8.9756","0.0004","12.0986","0.0005","90","","103.23","0.002","90","","595.35","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.023","0.023","","","0.0627","0.0628","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507671","10.8694","0.0002","8.8068","0.0002","17.0119","0.0004","90","","90.156","0.001","90","","1628.45","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","2","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0766","0.0766","","","0.1794","0.1794","","","","","","1.147","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507672","10.5125","0.0003","8.0673","0.0002","11.2216","0.0003","90","","95.651","0.001","90","","947.05","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0385","0.0378","","","0.1036","0.1045","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507680","10.731","0.017","8.96","0.014","15.53","0.02","90","","97.637","0.016","90","","1480","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Br N2 O7 -","- C31 H31 Br N2 O7 -","- C62 H62 Br2 N4 O14 -","2","1","","Yan, Wenjin; Wang, Dong; Feng, Jingchao; Li, Peng; Zhao, Depeng; Wang, Rui","Synthesis of N-alkoxycarbonyl ketimines derived from isatins and their application in enantioselective synthesis of 3-aminooxindoles.","Organic letters","2012","14","10","2512","2515","10.1021/ol3007953","","","0.71073","MoKα","","0.1532","0.058","","","0.0994","0.1316","","","","","","0.917","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507684","9.0897","0.0001","11.2005","0.0001","18.5969","0.0001","90","","99.948","0.001","90","","1864.87","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","2","","Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai","Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones.","Organic letters","2012","14","10","2548","2551","10.1021/ol300845q","","","1.54178","CuKα","","0.0262","0.0259","","","0.069","0.0693","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507686","9.396","0.006","14.79","0.01","12.381","0.008","90","","107.935","0.014","90","","1636.9","1.9","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 B N5 O2 -","- C33 H46 B N5 O2 -","- C66 H92 B2 N10 O4 -","2","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0627","0.0479","","","0.1217","0.1312","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507694","25.3117","0.0009","7.9007","0.0003","28.2067","0.001","90","","101.84","0.003","90","","5520.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 O10 S2 -","- C60 H90 O10 S2 -","- C240 H360 O40 S8 -","4","2","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71072","MoKα","","0.0735","0.0576","","","0.144","0.1532","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507695","25.4161","0.0006","7.9247","0.0003","28.254","0.0008","90","","101.554","0.002","90","","5575.5","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 O10 Se2 -","- C60 H90 O10 Se2 -","- C240 H360 O40 Se8 -","4","2","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71073","MoKα","","0.0556","0.0463","","","0.1112","0.116","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507703","14.754","0.003","9.8396","0.0019","18.371","0.004","90","","93.811","0.003","90","","2661.1","0.9","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(4-butylphenyl)trithienodipyrrole","","- C32 H30 N2 S3 -","- C32 H30 N2 S3 -","- C128 H120 N8 S12 -","4","2","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0513","0.0411","","","0.106","0.1226","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507716","8.524","0.0003","8.2187","0.0002","12.2542","0.0004","90","","108.188","0.004","90","","815.59","0.05","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N O S2 -","- C19 H15 N O S2 -","- C38 H30 N2 O2 S4 -","2","1","","Cai, Yunfei; Li, Jun; Chen, Weiliang; Xie, Mingsheng; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric sulfenylation of unprotected 3-substituted oxindoles.","Organic letters","2012","14","11","2726","2729","10.1021/ol3009446","","","0.7107","MoKα","","0.047","0.0373","","","0.0702","0.0749","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507722","9.541","0.008","12.369","0.01","18.06","0.014","90","","95.405","0.017","90","","2122","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Alpha-gamma mixed peptide","U-dgF-U-dgF","","- C44 H58 N4 O7 -","- C44 H58 N4 O7 -","- C88 H116 N8 O14 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.1824","0.0866","","","0.1815","0.2338","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507723","19.123","0.01","20.644","0.011","20.129","0.011","90","","98.135","0.011","90","","7866","7","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Alpha-gamma mixed peptide","Boc-Aib-gPhe-Aib-gPhe-OEt","","- C76 H114 N8 O15 -","- C76 H114 N8 O15 -","- C304 H456 N32 O60 -","4","2","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.1074","0.063","","","0.1527","0.1793","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507724","10.591","0.004","9.065","0.004","21.005","0.009","90","","92.232","0.011","90","","2015.1","1.5","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Tetra peptide","Alpha gama mixed peptide","","- C38 H58 N4 O8 -","- C38 H58 N4 O8 -","- C76 H116 N8 O16 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.0974","0.0544","","","0.1318","0.1588","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507742","6.4244","0.0004","10.3175","0.0006","16.0232","0.001","90","","90.012","0.003","90","","1062.08","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Furanocembranolide-1","","","- C23 H26 O7 -","- C23 H26 O7 -","- C46 H52 O14 -","2","1","","Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann","Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.","Organic letters","2012","14","11","2834","2837","10.1021/ol301068h","","","0.71073","MoKα","","0.082","0.0485","","","0.1003","0.1158","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507747","7.5316","0.0001","31.8491","0.0006","9.4105","0.0002","90","","100.351","0.0012","90","","2220.61","0.07","150","0.02","150","0.02","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 S Si -","- C21 H32 O4 S Si -","- C84 H128 O16 S4 Si4 -","4","2","","Sikervar, Vikas; Fuchs, Philip L.","Intramolecular Methylation of an Allyl Sulfone via Lithium Alkoxyaluminate; Application to the Enantioselective Synthesis of the CD Ring of Vitamin D(3).","Organic letters","2012","14","11","2922","2924","10.1021/ol301144a","","","0.71073","MO-Kα","","0.073","0.052","","","0.124","0.134","","","","","","1.011","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1507778","12.25","0.001","20.527","0.002","20.938","0.003","90","","90.43","0.01","90","","5264.8","1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H100 N10 O88 P2 W22 Zr -","- C4 H16 N2 O82 P2 W22 Zr -","- C8 H32 N4 O164 P4 W44 Zr2 -","2","1","","Cai, L; Li, Y; Yu, C; Ji, H; Liu, Y; Liu, S","Spontaneous resolution of a chiral polyoxometalate: Synthesis, crystal structures and properties","Inorganica Chimica Acta","2009","362","","2895","2899","10.1016/j.ica.2009.01.013","","","0.71073","MoKα","","0.0576","0.0464","","","0.1139","0.1213","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507779","12.2742","0.0009","20.5699","0.0015","20.9526","0.0015","90","","90.436","0.001","90","","5289.9","0.7","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H100 N10 O88 P2 W22 Zr -","- C4 H16 N2 O78 P2 W22 Zr -","- C8 H32 N4 O156 P4 W44 Zr2 -","2","1","","Cai, L; Li, Y; Yu, C; Ji, H; Liu, Y; Liu, S","Spontaneous resolution of a chiral polyoxometalate: Synthesis, crystal structures and properties","Inorganica Chimica Acta","2009","362","","2895","2899","10.1016/j.ica.2009.01.013","","","0.71073","MoKα","","0.0864","0.0732","","","0.1796","0.1883","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507792","10.2725","0.0002","15.2009","0.0003","23.731","0.0004","90","","95.896","0.001","90","","3686.02","0.12","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C41 H35 Cl3 O8 -","- C41 H35 Cl3 O8 -","- C164 H140 Cl12 O32 -","4","2","","Zhou, Hui; Maris, Thierry; Wuest, James D.","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","The Journal of Physical Chemistry C","2012","116","24","13052","","10.1021/jp300029z","","","1.54178","CuKα","","0.0284","0.0282","","","0.0761","0.0763","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507804","12.49951","0.00014","13.38735","0.00014","14.86156","0.00015","90","","99.9697","0.0011","90","","2449.31","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H69 N7 O10 -","- C49 H68.8 N7 O10 -","- C98 H137.6 N14 O20 -","2","1","","Chen, Ziming; Song, Yongxiang; Chen, Yuchan; Huang, Hongbo; Zhang, Weimin; Ju, Jianhua","Cyclic Heptapeptides, Cordyheptapeptides C-E, from the Marine-Derived Fungus Acremonium persicinum SCSIO 115 and Their Cytotoxic Activities.","Journal of natural products","2012","75","6","1215","1219","10.1021/np300152d","","","1.5418","CuKα","","0.0543","0.0426","","","0.1061","0.119","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507806","14.374","0.006","7.464","0.006","15.053","0.007","90","","116.024","0.008","90","","1451.3","1.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O5 -","- C32 H51 O5 -","- C64 H102 O10 -","2","1","","Xiong, Liang; Zhu, Mei; Zhu, Chenggeng; Lin, Sheng; Yang, Yongchun; Shi, Jiangong","Structure and Bioassay of Triterpenoids and Steroids Isolated from Sinocalamus affinis.","Journal of natural products","2012","75","6","1160","1166","10.1021/np300259s","","","1.54187","CuKα","","0.0555","0.0498","","","0.1312","0.1391","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507809","10.6034","0.0005","6.2661","0.0003","18.0594","0.0008","90","","107.232","0.003","90","","1146.04","0.09","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O8 -","- C28 H24 O8 -","- C56 H48 O16 -","2","1","","Awale, Suresh; Ueda, Jun-Ya; Athikomkulchai, Sirivan; Abdelhamed, Sherif; Yokoyama, Satoru; Saiki, Ikuo; Miyatake, Ryuta","Antiausterity Agents from Uvaria dac and Their Preferential Cytotoxic Activity against Human Pancreatic Cancer Cell Lines in a Nutrient-Deprived Condition.","Journal of natural products","2012","75","6","1177","1183","10.1021/np300295h","","","1.54187","CuKα","","","0.0823","","","","0.2682","","","","","","1.129","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507810","15.001","0.003","13.206","0.003","15.517","0.003","90","","102.3","0.03","90","","3003.4","1.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C152 H136 N8 -","4","2","","Periasamy, Mariappan; Sanjeevakumar, Nalluri; Dalai, Manasi; Gurubrahamam, Ramani; Reddy, Polimera Obula","Highly enantioselective synthesis of chiral allenes by sequential creation of stereogenic center and chirality transfer in a single pot operation.","Organic letters","2012","14","12","2932","2935","10.1021/ol300717e","","","0.71073","MoKα","","0.0909","0.0677","","","0.1121","0.1164","","","","","","1.223","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507812","8.1417","0.0017","14.59","0.003","17.092","0.004","90","","102.781","0.004","90","","1980","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-Formyl-3-(4-fluorophenyl)bicyclo[2.2.1]hept-5-en-2-yl carbamothioate","","","- C21 H26 F N O2 S -","- C21 H26 F N O2 S -","- C84 H104 F4 N4 O8 S4 -","4","2","","Sakakura, Akira; Yamada, Hiroki; Ishihara, Kazuaki","Enantioselective Diels-Alder reaction of α-(acylthio)acroleins: a new entry to sulfur-containing chiral quaternary carbons.","Organic letters","2012","14","12","2972","2975","10.1021/ol300921f","","","0.71073","MoKα","","0.0812","0.0711","","","0.1946","0.2071","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507822","10.237","0.006","7.803","0.005","11.166","0.006","90","","95.959","0.011","90","","887.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C40 H48 Br2 N2 O4 -","2","1","","Cai, Quan; You, Shu-Li","Organocatalyzed enantioselective formal [4 + 2] cycloaddition of 2,3-disubstituted indole and methyl vinyl ketone.","Organic letters","2012","14","12","3040","3043","10.1021/ol301114z","","","0.71073","MoKα","","0.0403","0.0347","","","0.083","0.0856","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507824","9.5206","0.0004","10.0215","0.0004","10.2741","0.0004","90","","101.89","0.004","90","","959.23","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O5 S -","- C17 H25 N O5 S -","- C34 H50 N2 O10 S2 -","2","1","","Yang, Cui-Feng; Shen, Chen; Wang, Jian-Yong; Tian, Shi-Kai","A highly diastereoselective decarboxylative mannich reaction of β-keto acids with optically active N-sulfinyl α-imino esters.","Organic letters","2012","14","12","3092","3095","10.1021/ol301180z","","","0.71073","MoKα","","0.0654","0.0605","","","0.1668","0.1726","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507825","10.1645","0.0004","8.605","0.0003","11.9296","0.0005","90","","96.541","0.004","90","","1036.64","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Huang, Xiao-Jun; Bai, Liang-Liang; Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu; Wang, Yi-Tao; Zhang, Qing-Wen; Ye, Wen-Cai","Virosaines A and B, two new birdcage-shaped Securinega alkaloids with an unprecedented skeleton from Flueggea virosa.","Organic letters","2012","14","12","3096","3099","10.1021/ol301184j","","","1.54178","CuKα","","0.0377","0.033","","","0.077","0.08","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507826","10.2075","0.0013","30.954","0.004","11.965","0.0016","90","","107.043","0.002","90","","3614.5","0.8","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C69.5 H10 O3 S -","- C69.5 H9 O3 S -","- C278 H36 O12 S4 -","4","2","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","0.71073","MoKα","","0.137","0.1163","","","0.2896","0.3091","","","","","","1.015","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507835","10.975","0.002","20.829","0.004","11.516","0.002","90","","97.85","0.03","90","","2607.9","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C114 H102 Br6 N12 O18 -","6","3","","Liu, Zhaoqun; Feng, Xiangqing; Du, Haifeng","Rhodium-catalyzed asymmetric formal cycloadditions of racemic butadiene monoxide with imines.","Organic letters","2012","14","12","3154","3157","10.1021/ol301248d","","","0.71073","MoKα","","0.0538","0.0472","","","0.0931","0.0967","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507838","8.2684","0.0009","15.0353","0.0015","11.4331","0.0012","90","","103.699","0.0013","90","","1380.9","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Br N3 O4 S -","- C30 H26 Br N3 O4 S -","- C60 H52 Br2 N6 O8 S2 -","2","1","","Nakamura, Shuichi; Maeno, Yuri; Ohara, Mutsuyo; Yamamura, Akiko; Funahashi, Yasuhiro; Shibata, Norio","Enantioselective synthesis of imidazolines with quaternary stereocenters by organocatalytic reaction of N-(heteroarenesulfonyl)imines with isocyanoacetates.","Organic letters","2012","14","12","2960","2963","10.1021/ol301256q","","","0.7107","MoKα","","","0.0257","","","","0.025","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507839","7.5051","0.0016","12.37","0.003","9.944","0.003","90","","99.383","0.008","90","","910.8","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H25 N2 O7 P -","- C12 H25 N2 O7 P -","- C24 H50 N4 O14 P2 -","2","1","","Tripathi, Chandra Bhushan; Kayal, Satavisha; Mukherjee, Santanu","Catalytic asymmetric synthesis of α,β-disubstituted α,γ-diaminophosphonic acid precursors by Michael addition of α-substituted nitrophosphonates to nitroolefins.","Organic letters","2012","14","13","3296","3299","10.1021/ol3012666","","","0.71073","MoKα","","0.0412","0.0372","","","0.0989","0.1023","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507843","9.5624","0.001","8.3375","0.0006","10.6822","0.0011","90","","93.6","0.007","90","","849.97","0.14","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-Methyl-2-(1-benzyl-7-bromo-3-hydroxy-2-oxoindolin-3-yl)acetate","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui","Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions.","Organic letters","2012","14","12","3174","3177","10.1021/ol301270w","","","0.71073","MoKα","","0.0245","0.0235","","","0.0583","0.0587","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507845","13.467","0.007","5.711","0.003","13.534","0.007","90","","113.897","0.005","90","","951.7","0.9","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N O3 -","- C22 H20 Br N O3 -","- C44 H40 Br2 N2 O6 -","2","1","","Sakamoto, Tsubasa; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective transfer deuteration of ketimines by use of benzothiazoline as a deuterium donor: synthesis of optically active deuterated amines.","Organic letters","2012","14","13","3312","3315","10.1021/ol3012869","","","0.71073","MoKα","","0.1254","0.0827","","","0.1922","0.2236","","","","","","1.045","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1507888","10.2265","0.0011","9.8801","0.001","11.1185","0.0012","90","","91.086","0.005","90","","1123.2","0.2","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O S4 -","- C22 H22 N2 O S4 -","- C44 H44 N4 O2 S8 -","2","1","","Munive, Laura; Rivas, Veronica M.; Ortiz, Aurelio; Olivo, Horacio F.","Oxazolidine-2-thiones and thiazolidine-2-thiones as nucleophiles in intermolecular Michael additions.","Organic letters","2012","14","13","3514","3517","10.1021/ol301489y","","","0.71073","MoKα","","0.0526","0.0386","","","0.0772","0.0826","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507927","11.069","0.0006","8.641","0.007","16.481","0.001","90","","108.812","0.002","90","","1492.2","1.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H24 Cu F6 N4 O7 S2 -","- C23 H22 Cu F6 N4 O7 S2 -","- C46 H44 Cu2 F12 N8 O14 S4 -","2","1","","Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius","Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity","Inorganica Chimica Acta","2012","391","","189","194","10.1016/j.ica.2012.04.019","","","0.71073","MoKα","","0.0454","0.0391","","","0.0884","0.093","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507939","9.7093","0.0006","11.9854","0.0008","15.6951","0.0011","90","","93.883","0.005","90","","1822.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 Cl N2 O7 -","- C45 H39 Cl N2 O7 -","- C90 H78 Cl2 N4 O14 -","2","1","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","1.54178","CuKα","","0.0635","0.056","","","0.1318","0.1398","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507940","9.4062","0.0006","27.3462","0.0017","12.0053","0.0008","90","","97.589","0.001","90","","3061","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H29 Cl N2 O6 -","- C36 H29 Cl N2 O6 -","- C144 H116 Cl4 N8 O24 -","4","2","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","0.71073","MoKα","","0.0528","0.0471","","","0.1178","0.1232","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507954","6.5187","0.0005","8.6895","0.0005","7.0751","0.0005","90","","98.453","0.004","90","","396.41","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0402","0.0334","","","0.0721","0.0752","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507956","13.7487","0.0003","13.6316","0.0003","18.3824","0.0004","90","","92.377","0.001","90","","3442.21","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H50 Cl2 O8 Si -","- C31 H50 Cl2 O8 Si -","- C124 H200 Cl8 O32 Si4 -","4","2","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","1.54178","CuKα","","0.0715","0.0566","","","0.1508","0.1603","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507962","13.5537","0.0003","19.4743","0.0004","19.6358","0.0004","90","","97.836","0.001","90","","5134.45","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C132 H204 B88 Cl8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.1401","0.0624","","","0.1243","0.1502","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507967","9.4556","0.0008","18.6226","0.001","24.1172","0.0015","90","","98.277","0.004","90","","4202.5","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C161.2 H154.4 B8 Cl2.4 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0694","0.0603","","","0.1366","0.1419","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507978","9.48719","0.00017","12.8846","0.0003","12.0111","0.0003","90","","96.4486","0.001","90","","1458.93","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl N4 O4 -","- C30 H35 Cl N4 O4 -","- C60 H70 Cl2 N8 O8 -","2","1","","Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji","Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis.","Nature chemistry","2011","3","8","642","646","10.1038/nchem.1096","","","1.54187","CuKα","","","0.0422","","","","0.102","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507993","10.05","0.0004","10.1301","0.0004","10.2065","0.0004","90","","96.154","0.001","90","","1033.11","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B2 N2 O4 -","- C20 H26 B2 N2 O4 -","- C40 H52 B4 N4 O8 -","2","1","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0351","0.0324","","","0.0857","0.0885","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508009","16.2591","0.0005","9.4526","0.0003","18.8939","0.0005","90","","95.508","0.0018","90","","2890.41","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.07","0.0462","","","0.1079","0.1221","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508012","6.7294","0.0002","15.7191","0.0005","17.4651","0.0006","90","","98.474","0.001","90","","1827.29","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","2","","Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M.","A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres.","Nature chemistry","2010","2","3","192","196","10.1038/nchem.518","","","1.54178","CuKα","","0.0388","0.0355","","","0.0684","0.0694","","","","","","1.512","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508013","9.1374","0.0016","10.0229","0.0017","11.704","0.002","90","","106.312","0.003","90","","1028.7","0.3","273","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H16 Ga2 N2 O S7 Sb2 -","- C4 H16 Ga2 N2 O S7 Sb2 -","- C8 H32 Ga4 N4 O2 S14 Sb4 -","2","1","","Ding, Nan; Kanatzidis, Mercouri G.","Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.","Nature chemistry","2010","2","3","187","191","10.1038/nchem.519","","","0.71073","MoKα","","0.0651","0.0577","","","0.1422","0.1487","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508037","12.9134","0.0015","38.169","0.004","14.466","0.0016","90","","92.377","0.002","90","","7124","1.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","7b","","","- C68 H69 B F24 Fe N P3 Si -","- C68 H69 B F24 Fe N P3 Si -","- C272 H276 B4 F96 Fe4 N4 P12 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1217","0.0626","","","0.1221","0.1452","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508038","12.5371","0.001","5.7555","0.0004","13.6054","0.001","90","","98.698","0.004","90","","970.44","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Fe N2 O5 -","- C20 H26 Fe N2 O5 -","- C40 H52 Fe2 N4 O10 -","2","1","","Shipmana, Patrick O; Lafrenierea, Matthew A; Colquhouna, Craig D S; Kraatz, Heinz-Bernhard","Synthesis of a series of 1,n'-disubstituted ferrocene derivatives containing disulfides","Inorganica Chimica Acta","2012","391","","195","200","10.1016/j.ica.2012.05.013","","","0.71073","MoKα","","0.0489","0.0391","","","0.0844","0.0887","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508140","10.2338","0.0007","6.605","0.0005","11.9985","0.0008","90","","94.388","0.004","90","","808.65","0.1","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Denmark, Scott E.; Wilson, Tyler W.","N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis.","Nature chemistry","2010","2","11","937","943","10.1038/nchem.857","","","1.54178","CuKα","","0.0266","0.0263","","","0.0656","0.0658","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508165","7.7453","0.0004","10.3009","0.0006","9.7366","0.0005","90","","94.175","0.002","90","","774.76","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0422","0.0421","","","0.1018","0.1018","","","","","","1.162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508174","7.995","0.005","12.695","0.005","14.1","0.005","90","0.005","103.65","0.005","90","0.005","1390.7","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","6MesDACCF3Styrene","","","- C33 H35 F3 N2 O2 -","- C33 H35 F3 N2 O2 -","- C66 H70 F6 N4 O4 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71069","MoKα","","0.0961","0.0605","","","0.1422","0.1762","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508217","10.323","0.002","19.337","0.004","12.204","0.002","90","","110.09","0.03","90","","2287.9","0.9","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H66 Cl F6 Ir2 P7 -","- C30 H64 Cl F6 Ir2 P7 -","- C60 H128 Cl2 F12 Ir4 P14 -","2","1","","Merola, Joseph S; Husebo, Trang Le; Selnau, Henry E","Dinuclear iridium complexes with unsupported Ir-Cl-Ir bridges","Inorganica Chimica Acta","2012","390","","33","36","10.1016/j.ica.2012.04.014","","","0.71073","MoKα","","0.0526","0.0393","","","0.0732","0.0781","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508231","10.2725","0.0002","15.2009","0.0003","23.731","0.0004","90","","95.896","0.001","90","","3686.02","0.12","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C41 H35 Cl3 O8 -","- C41 H35 Cl3 O8 -","- C164 H140 Cl12 O32 -","4","2","","Hui Zhou; Thierry Maris; James D. Wuest","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","J. Phys. Chem. C","2012","116","","13052","13062","10.1021/jp300029z","","","1.54178","CuKα","","0.0284","0.0282","","","0.0761","0.0763","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508235","8.0945","0.0009","9.5301","0.001","9.8131","0.0011","90","","96.014","0.001","90","","752.83","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0409","0.0391","","","0.101","0.1032","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508236","9.8222","0.001","6.1623","0.0006","17.139","0.0017","90","","100.004","0.002","90","","1021.61","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O3 S -","- C22 H32 O3 S -","- C44 H64 O6 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0364","0.0331","","","0.0841","0.0864","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508274","11.2839","0.0002","10.5826","0.0002","22.4195","0.0004","90","","95.031","0.002","90","","2666.87","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C59 H70 O18 -","- C59 H70 O18 -","- C118 H140 O36 -","2","1","","Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.","Journal of natural products","2012","75","7","1277","1283","10.1021/np300053f","","","1.54184","CuKα","","0.0421","0.0398","","","0.1077","0.1103","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508288","10.608","0.006","11.553","0.006","12.532","0.007","90","","99.67","0.005","90","","1514","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C66 H74 N6 O8 -","2","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.0919","0.0521","","","0.1121","0.1348","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508310","5.885","0.005","7.453","0.007","17.08","0.017","90","","90.927","0.012","90","","749","1.2","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Mamada, Masashi; Minamiki, Tsukuru; Katagiri, Hiroshi; Tokito, Shizuo","Synthesis, Physical Properties, and Field-Effect Mobility of Isomerically Pure syn-/anti-Anthradithiophene Derivatives.","Organic letters","2012","14","16","4062","4065","10.1021/ol301626u","","","0.71075","MoKα","","0.0713","0.0528","","","0.1283","0.1401","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508331","11.1066","0.0001","8.9337","0.0001","13.772","0.0002","90","","100.615","0.001","90","","1343.11","0.03","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Wang, Cun-Qin; Wang, Lei; Fan, Chun-Lin; Zhang, Dong-Mei; Huang, Xiao-Jun; Jiang, Ren-Wang; Bai, Liang-Liang; Shi, Jun-Min; Wang, Ying; Ye, Wen-Cai","Ilelic Acids A and B, Two Unusual Triterpenes with a Seven-Membered Ring from Ilex latifolia.","Organic letters","2012","14","16","4102","4105","10.1021/ol301745b","","","1.54178","CuKα","","0.0508","0.0496","","","0.131","0.1329","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508334","11.435","0.006","6.33","0.004","12.887","0.007","90","","105.373","0.011","90","","899.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0791","0.0643","","","0.1511","0.1614","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508353","6.8209","0.0002","27.0063","0.0008","7.7986","0.0002","90","","111.561","0.001","90","","1336.04","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H30 N2 O9 -","- C29 H30 N2 O9 -","- C58 H60 N4 O18 -","2","1","","Tietze, Lutz F.; Wolfram, Thomas; Holstein, Julian J.; Dittrich, Birger","First enantioselective total synthesis of (+)-(R)-pinnatolide using an asymmetric domino allylation reaction.","Organic letters","2012","14","16","4035","4037","10.1021/ol301932d","","","1.54178","CuKα","","0.0377","0.0364","","","0.0993","0.1076","","","","","","1.142","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508359","10.5891","0.0002","10.1907","0.0002","20.7473","0.0004","90","","103.072","0.0008","90","","2180.83","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O4 -","- C22 H33 N O4 -","- C88 H132 N4 O16 -","4","2","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0566","0.0415","","0.1095","0.0948","0.1095","","","","","","0.9464","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508361","11.7106","0.0005","7.0979","0.0004","11.9661","0.0007","90","","116.827","0.002","90","","887.58","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 I2 N O3 -","- C13 H23 I2 N O3 -","- C26 H46 I4 N2 O6 -","2","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0819","0.0485","","0.1012","0.0739","0.1012","","","","","","0.9367","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508366","9.9349","0.0008","6.3377","0.0005","10.5783","0.001","90","","97.752","0.003","90","","659.97","0.1","180","1","180","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C30 H24 N4 O4 S2 -","2","1","","Saeed, Aamer; ul Mahmood, Shams; Ishida, H.","Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","3","171","177","10.3390/cryst1030171","","","0.71075","MoKα","","0.0271","0.0266","","","0.0702","0.0704","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508393","9.8152","0.0002","9.6305","0.0002","9.8465","0.0002","90","","116.785","0.001","90","","830.88","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl[(1S)-1-(5-Amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","","- C18 H18 N4 O3 -","- C18 H18 N4 O3 -","- C36 H36 N8 O6 -","2","1","","Lοser, Reik; Nieger, Martin; Gυtschow, Michael","Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","Crystals","2012","2","3","1201","1209","10.3390/cryst2031201","","","0.71073","MoKα","","0.034","0.0288","","","0.0607","0.0621","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508504","12.579","0.003","14.599","0.003","22.498","0.005","90","","90.264","0.004","90","","4131.5","1.6","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 N6 O9 S Sr -","- C38 H49 N6 O9 S Sr -","- C152 H196 N24 O36 S4 Sr4 -","4","2","","Okamura, Hiroyuki; Ikeda-Ohno, Atsushi; Saito, Takumi; Aoyagi, Noboru; Naganawa, Hirochika; Hirayama, Naoki; Umetani, Shigeo; Imura, Hisanori; Shimojo, Kojiro","Specific cooperative effect of a macrocyclic receptor for metal ion transfer into an ionic liquid.","Analytical chemistry","2012","84","21","9332","9339","10.1021/ac302015h","","","0.71075","MoKα","","","0.1018","","","","0.274","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508514","8.2068","0.0008","13.7427","0.0013","10.9809","0.0011","90","","93.496","0.002","90","","1236.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 Cl N5 O7 -","- C24 H32 Cl N5 O7 -","- C48 H64 Cl2 N10 O14 -","2","1","","Sun, Chuan-Wen; Fang, Ting; Wang, Jing; Hao, Zhi-bing; Nan, Shi-bing","Synthesis, insecticidal activity, crystal structure, and molecular docking studies of nitenpyram analogues with an ω-hydroxyalkyl ester arm anchored on the tetrahydropyrimidine ring.","Journal of agricultural and food chemistry","2012","60","38","9553","9561","10.1021/jf3024479","","","0.71073","MoKα","","0.0461","0.0427","","","0.1205","0.1274","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508552","9.4593","0.0007","13.5246","0.001","11.9595","0.0009","90","","106.377","0.001","90","","1467.94","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 Al N2 O2 -","- C35 H39 Al N2 O2 -","- C70 H78 Al2 N4 O4 -","2","1","","Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi","Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator","Macromolecules","2012","45","20","8172","","10.1021/ma301696d","","","0.71073","MoKα","","0.0413","0.0378","","","0.0916","0.0935","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508556","5.9952","0.0002","17.2742","0.0003","7.1081","0.0002","90","","112.765","0.003","90","","678.79","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C30 H56 O6 -","2","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0629","0.0626","","","0.1686","0.1694","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508559","9.68","0.001","7.53","0.001","13.01","0.001","90","","100.58","0.01","90","","932.18","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)2-deoxy,2-acetyloryzalexin S","","- C22 H34 O2 -","- C22 H34 O2 -","- C44 H68 O4 -","2","1","","Leonelli, Francesca; Latini, Valentina; Trombetta, Andrea; Bartoli, Gabriele; Ceccacci, Francesca; La Bella, Angela; Sferrazza, Alessio; Lamba, Doriano; Migneco, Luisa M.; Bettolo, Rinaldo Marini","Regio- and diastereoselective synthesis and X-ray structure determination of (+)-2-deoxyoryzalexin S from (+)-podocarpic acid. Structural nonidentity with its nominal natural isolated enantiomer.","Journal of natural products","2012","75","11","1944","1950","10.1021/np300518j","","","0.9","SynchrotronRadiation","","0.1","0.0994","","","0.361","0.3614","","","","","","1.988","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508561","9.336","0.005","9.701","0.005","19.187","0.011","90","","100.441","0.017","90","","1709","1.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H46 O9 -","- C36.5 H44 O8.5 -","- C73 H88 O17 -","2","1","","Lin, Xionghao; Ji, Shuai; Li, Rui; Dong, Yinhui; Qiao, Xue; Hu, Hongbo; Yang, Wenzhi; Guo, Dean; Tu, Pengfei; Ye, Min","Terpecurcumins A-I from the Rhizomes of Curcuma longa: Absolute Configuration and Cytotoxic Activity.","Journal of natural products","2012","75","12","2121","2131","10.1021/np300551g","","","1.54178","CuKα","","0.0707","0.0637","","","0.1494","0.1547","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508562","9.216","0.0004","11.9757","0.0003","9.9484","0.0004","90","","116.94","0.005","90","","978.83","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0505","0.0477","","","0.1255","0.13","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508564","6.1689","0.0003","21.3668","0.0009","7.5017","0.0004","90","","113.089","0.006","90","","909.59","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0358","0.0341","","","0.0858","0.088","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508582","8.5922","0.0003","27.9843","0.0008","11.0408","0.0003","90","","90.662","0.001","90","","2654.55","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[(S)-(pmpp)Mn(CF3SO3)2","(S)-N-methyl(pyridin-2-yl)-N-((1-(pyridin-2-ylmethyl)pyrrolidin-2-yl)methyl) methanamine manganese(II) bis(trifluoromethanesulfonate)","","- C20 H24 F6 Mn N4 O6 S2 -","- C20 H24 F6 Mn N4 O6 S2 -","- C80 H96 F24 Mn4 N16 O24 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly efficient, regioselective, and stereospecific oxidation of aliphatic C-H groups with H2O2, catalyzed by aminopyridine manganese complexes.","Organic letters","2012","14","17","4310","4313","10.1021/ol3015122","","x-ray","0.71073","MoKα","","0.0382","0.0338","","","0.0798","0.0813","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508584","11.859","0.005","5.765","0.005","12.062","0.005","90","0.005","103.121","0.005","90","0.005","803.1","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N3 O3 -","- C17 H13 N3 O3 -","- C34 H26 N6 O6 -","2","1","","Molleti, Nagaraju; Rana, Nirmal K.; Singh, Vinod K.","Highly enantioselective conjugate addition of malononitrile to 2-enoylpyridines with bifunctional organocatalyst.","Organic letters","2012","14","17","4322","4325","10.1021/ol3015607","","","0.71069","MoKα","","0.0783","0.0674","","","0.1855","0.2043","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508604","11.8531","0.0009","3.8032","0.0003","14.0323","0.0011","90","","106.483","0.001","90","","606.58","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 N2 O S -","- C15 H8 N2 O S -","- C30 H16 N4 O2 S2 -","2","1","","Zhu, Yan-ping; Jia, Feng-cheng; Liu, Mei-cai; Wu, An-xin","A multipathway coupled domino strategy: metal-free oxidative cyclization for one-pot synthesis of 2-acylbenzothiazoles from multiform substrates.","Organic letters","2012","14","17","4414","4417","10.1021/ol301921t","","","0.71073","MoKα","","0.0279","0.0259","","","0.0793","0.0974","","","","","","1.264","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508616","9.4692","0.0006","5.9128","0.0004","12.8986","0.0007","90","","110.69","0.004","90","","675.61","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","De, Subhadip; Ghosh, Santanu; Bhunia, Subhajit; Sheikh, Javeed Ahmad; Bisai, Alakesh","Intramolecular direct dehydrohalide coupling promoted by KO(t)Bu: total synthesis of Amaryllidaceae alkaloids anhydrolycorinone and oxoassoanine.","Organic letters","2012","14","17","4466","4469","10.1021/ol3019677","","","0.71073","MoKα","","0.0397","0.0366","","","0.1259","0.1351","","","","","","0.611","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508631","7.819","0.003","11.48","0.004","9.859","0.004","90","","105.707","0.006","90","","851.9","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Wakabayashi, Ryota; Kurahashi, Takuya; Matsubara, Seijiro","Cobalt(III) porphyrin catalyzed aza-Diels-Alder reaction.","Organic letters","2012","14","18","4794","4797","10.1021/ol3020946","","","0.71073","MoKα","","0.0385","0.0369","","","0.096","0.0973","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508633","9.2967","0.0013","4.9715","0.0007","14.604","0.002","90","","96.137","0.002","90","","671.11","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","BENZOPYRANO[4,3-B]-1,4-OXAZIN","TETRAHYDRO-4-PROPYL-2H,5H-[1]BENZOPYRANO[4,3-B]-1,4-OXAZIN","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C30 H42 N2 O6 -","2","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","x-ray","0.71073","MoKα","","0.0399","0.0344","","","0.0841","0.0865","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508639","6.1607","0.0002","15.6317","0.0007","11.1413","0.0005","90","","90.347","0.002","90","","1072.91","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C44 H34 F6 N4 O10 S2 -","2","1","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.0806","0.0379","","","0.0683","0.0733","","","","","","0.797","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508640","5.9853","0.0001","16.2493","0.0003","10.5283","0.0002","90","","90.47","0.03","90","","1023.92","0.03","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O4 S -","- C22 H17 F3 N2 O4 S -","- C44 H34 F6 N4 O8 S2 -","2","1","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.0375","0.0331","","","0.0809","0.0837","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508641","12.5078","0.0003","9.4222","0.0002","18.6676","0.0006","90","","94.411","0.001","90","","2193.48","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H19 Br N2 O2 -","- C27 H19 Br N2 O2 -","- C108 H76 Br4 N8 O8 -","4","2","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.074","0.0404","","","0.0903","0.097","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508656","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.0323","0.0316","","","0.0888","0.0895","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508659","8.2024","0.0006","13.1986","0.0009","22.0399","0.0016","90","","90.798","0.003","90","","2385.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","NOOLE 035 R4","(R)-3,4-Dichloro-3-((S)-2-nitro-1-phenylethyl)indolin-2-one","","- C16 H12 Cl2 N2 O3 -","- C16 H12 Cl2 N2 O3 -","- C96 H72 Cl12 N12 O18 -","6","3","","Noole, Artur; Järving, Ivar; Werner, Franz; Lopp, Margus; Malkov, Andrei; Kanger, Tōnis","Organocatalytic asymmetric synthesis of 3-chlorooxindoles bearing adjacent quaternary-tertiary centers.","Organic letters","2012","14","18","4922","4925","10.1021/ol302245b","","","0.71073","MoKα","","0.0457","0.0379","","","0.0855","0.0901","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508690","14.9959","0.0002","7.1013","0.0001","18.0983","0.0004","90","","113.682","0.0007","90","","1765","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Cl N2 O4 -","- C17 H21 Cl N2 O4 -","- C68 H84 Cl4 N8 O16 -","4","2","","Barber, David M.; Sanganee, Hitesh J.; Dixon, Darren J.","One-pot catalytic enantioselective synthesis of tetrahydropyridines via a nitro-Mannich/hydroamination cascade.","Organic letters","2012","14","20","5290","5293","10.1021/ol302459c","","","0.71073","MoKα","","0.0554","0.0379","","0.0931","0.0779","0.0931","","","","","","0.9095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508691","12.5953","0.0011","6.309","0.0005","12.71","0.001","90","","110.532","0.003","90","","945.83","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C40 H54 N2 O8 -","2","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","0.71075","MoKα","","","0.0338","","","","0.1096","","","","","","0.868","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508694","10.2747","0.0005","12.2094","0.0006","10.319","0.0005","90","","111.243","0.003","90","","1206.54","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N3 O9 -","- C23 H29 N3 O9 -","- C46 H58 N6 O18 -","2","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","1.54187","CuKα","","","0.0696","","","","0.1492","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508705","12.3238","0.0009","13.3375","0.0007","14.9419","0.0011","90","","113.697","0.001","90","","2248.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","TIPS-Bpin-BDT","TIPS-Bpin-BDT","","- C40 H68 B2 O4 S2 Si2 -","- C40 H68 B2 O4 S2 Si2 -","- C80 H136 B4 O8 S4 Si4 -","2","1","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.7107","MoKα","","0.0679","0.0617","","","0.1633","0.1703","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508724","9.4749","0.0003","20.5466","0.0005","12.8261","0.0004","90","","104.295","0.001","90","","2419.63","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C104 H124 N4 O20 S4 -","4","2","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.056","0.0433","","","0.1233","0.1354","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508725","7.2313","0.0012","21.911","0.004","14.668","0.002","90","","94.76","0.003","90","","2316.1","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H66 O10 Si2 -","- C44 H66 O10 Si2 -","- C88 H132 O20 Si4 -","2","1","","Feldman, Ken S.; Selfridge, Brandon R.","Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.","Organic letters","2012","14","21","5484","5487","10.1021/ol302567f","","","0.71073","MoKα","","0.1048","0.0739","","","0.1864","0.2081","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508733","15.6734","0.0004","6.13","0.0001","22.7367","0.0005","90","","97.0025","0.001","90","","2168.2","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C104 H100 N12 O12 -","4","2","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0521","0.0321","","0.0682","0.0639","0.0682","","","","","","0.8192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508757","10.6855","0.0016","9.3798","0.0015","18.076","0.003","90","","99.839","0.005","90","","1785.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 N3 O5 Si -","- C39 H43 N3 O5 Si -","- C78 H86 N6 O10 Si2 -","2","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0737","0.0539","","","0.1244","0.1394","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508767","12.256","0.005","24.002","0.01","13.896","0.006","90","","92.602","0.008","90","","4084","3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 B Br N O5 -","- C18 H23 B Br N O5 -","- C144 H184 B8 Br8 N8 O40 -","8","4","","Zhao, Lei; Ma, Yudao; Duan, Wenzeng; He, Fuyan; Chen, Jianqiang; Song, Chun","Asymmetric β-boration of α,β-unsaturated N-acyloxazolidinones by [2.2]paracyclophane-based bifunctional catalyst.","Organic letters","2012","14","22","5780","5783","10.1021/ol302839d","","","0.71073","MoKα","","0.0939","0.0453","","","0.0868","0.1015","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508781","8.7606","0.0005","9.588","0.0005","18.8582","0.0009","90","","103.118","0.005","90","","1542.69","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C58 H70 N2 O10 -","2","1","","Xu, Guo-Bo; Li, Li-Mei; Yang, Tao; Zhang, Guo-Lin; Li, Guo-You","Chaetoconvosins A and B, Alkaloids with New Skeleton from Fungus Chaetomium convolutum.","Organic letters","2012","14","23","6052","6055","10.1021/ol302943v","","","0.7107","MoKα","","0.0867","0.0616","","","0.1421","0.1551","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508782","8.9461","0.0006","8.981","0.0006","20.001","0.0013","90","","90.115","0.005","90","","1606.98","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","2","","Qiu, Youai; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Carbazoles via AuCl(3)-Catalyzed Cyclization of 1-(Indol-2-yl)-3-alkyn-1-ols.","Organic letters","2012","14","24","6198","6201","10.1021/ol3029498","","","0.71073","MoKα","","0.059","0.0395","","","0.0889","0.0972","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508801","8.3841","0.0012","12.058","0.002","10.8793","0.0015","90","","102.835","0.003","90","","1072.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F.","Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst.","Organic letters","2012","14","24","6290","6293","10.1021/ol3030555","","","0.71075","MoKα","","0.0139","0.0137","","","0.0365","0.0366","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508804","14.5855","0.0012","10.4295","0.0008","16.8508","0.0015","90","","101.441","0.002","90","","2512.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H47 Cl4 Ir N2 O9 P2 -","- C48 H37 Cl2 Ir N2 O8 P2 -","- C96 H74 Cl4 Ir2 N4 O16 P4 -","2","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0245","0.0236","","","0.0625","0.0629","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508813","11.2358","0.0009","12.4002","0.001","11.5916","0.0009","90","","109.454","0.004","90","","1522.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H13 F3 N2 O5 S -","- C13 H13 F3 N2 O5 S -","- C52 H52 F12 N8 O20 S4 -","4","2","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","0.71073","MoKα","","0.0455","0.0401","","","0.1056","0.1095","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508822","6.556","0.0014","7.272","0.0015","18.452","0.004","90","","90.519","0.004","90","","879.7","0.3","183","2","183","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi","Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.","The journal of physical chemistry. A","2013","117","3","566","578","10.1021/jp306103a","","","0.71073","MoKα","","0.0563","0.0483","","","0.121","0.1302","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508826","8.3324","0.0001","12.3542","0.0002","14.6062","0.0002","90","","103.868","0.002","90","","1459.74","0.04","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 B F2 N O2 -","- C18 H14 B F2 N O2 -","- C72 H56 B4 F8 N4 O8 -","4","2","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.03","0.0292","","","0.0806","0.0821","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508840","9.965","0.002","5.5627","0.0011","13.216","0.003","90","","106.53","0.03","90","","702.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","1","","Luo, Ji; Liu, Xiangyu; Li, Erwei; Guo, Liangdong; Che, Yongsheng","Arundinols A-C and Arundinones A and B from the Plant Endophytic Fungus Microsphaeropsis arundinis.","Journal of natural products","2013","76","1","107","112","10.1021/np300806a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0902","0.091","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508843","7.6187","0.0002","15.2421","0.0003","8.3982","0.0006","90","","99.42","0.007","90","","962.09","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C44 H62 N2 O4 -","2","1","","Martin, Rhia M.; Bergman, Robert G.; Ellman, Jonathan A.","Synthesis of Isoquinuclidines from Highly Substituted Dihydropyridines via the Diels-Alder Reaction.","Organic letters","2013","15","3","444","447","10.1021/ol303040r","","","1.54187","CuKα","","0.0265","0.0261","","","0.0636","0.0642","","","","","","0.981","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508848","12.016","0.0012","18.7857","0.0019","12.339","0.0012","90","","97.777","0.007","90","","2759.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C132 H116 N12 O12 -","4","2","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","1.54186","CuKα","","0.048","0.0446","","","0.0921","0.0963","","","","","","1.177","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508858","12.652","0.002","5.3373","0.0009","17.942","0.003","90","","109.082","0.003","90","","1145","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","","Wu, Hua; He, Yu-Ping; Gong, Liu-Zhu","Direct Access to Enantioenriched Spiroacetals through Asymmetric Relay Catalytic Three-Component Reaction.","Organic letters","2013","15","3","460","463","10.1021/ol303188u","","","0.71073","MoKα","","0.0472","0.042","","","0.1112","0.1156","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508862","7.6144","0.0004","7.5543","0.0003","29.9948","0.0014","90","","91.624","0.004","90","","1724.65","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","2","","Louillat, Marie-Laure; Patureau, Frederic W.","Toward polynuclear ru-cu catalytic dehydrogenative C-N bond formation, on the reactivity of carbazoles.","Organic letters","2013","15","1","164","167","10.1021/ol303216u","","","1.54184","CuKα","","0.0514","0.0454","","","0.1162","0.1271","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508876","17.676","0.004","5.727","0.0012","23.637","0.005","90","","92.756","0.003","90","","2390","0.9","98","2","98","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S, 3S)-1-(4-Bromophenyl)-2,3-diphenyl -3-(tosylamino)propan-1-one","","- C28 H24 Br N O3 S -","- C28 H24 Br N O3 S -","- C112 H96 Br4 N4 O12 S4 -","4","2","","Guo, Qunsheng; Zhao, John Cong-Gui","Highly enantioselective three-component direct mannich reactions of unfunctionalized ketones catalyzed by bifunctional organocatalysts.","Organic letters","2013","15","3","508","511","10.1021/ol303315c","","","0.71073","MoKα","","0.0518","0.0457","","","0.1038","0.1095","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508886","13.442","0.004","6.2752","0.0018","16.172","0.004","90","","106.076","0.012","90","","1310.8","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N4 O4 S -","- C24 H32 N4 O4 S -","- C48 H64 N8 O8 S2 -","2","1","","Bian, Jianwei; Blakemore, David; Warmus, Joseph S.; Sun, Jianmin; Corbett, Matthew; Rose, Colin R.; Bechle, Bruce M.","Diastereoselective Synthesis of β-Heteroaryl syn-α-Methyl-β-Amino Acid Derivatives via a Double Chiral Auxiliary Approach.","Organic letters","2013","15","3","562","565","10.1021/ol3033785","","","1.54178","CuKα","","0.0794","0.055","","","0.1336","0.1444","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508923","7.9356","0.0004","7.1221","0.0004","8.5697","0.0006","90","","102.824","0.006","90","","472.26","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,4AR)-8-hydroxy-3-methyl-3,4,4A,5,6, 7-hexahydro-1h-isochromen-1-one","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali","Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara.","Journal of natural products","2013","76","2","194","199","10.1021/np3006666","","","0.71073","MoKα","","0.0542","0.0413","","","0.1022","0.1088","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508935","5.3516","0.0009","19.434","0.003","13.261","0.002","90","","95.518","0.002","90","","1372.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 O10 S -","- C28 H34 O10 S -","- C56 H68 O20 S2 -","2","1","","Chooi, Yit-Heng; Fang, Jinxu; Liu, Hong; Filler, Scott G.; Wang, Pin; Tang, Yi","Genome Mining of a Prenylated and Immunosuppressive Polyketide from Pathogenic Fungi.","Organic letters","2013","15","4","780","783","10.1021/ol303435y","","","0.71073","MoKα","","0.0563","0.05","","","0.1302","0.1356","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508964","8.4742","0.0001","11.5299","0.0002","10.6213","0.0001","90","","103.223","0.001","90","","1010.26","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C50 H48 O8 -","2","1","","Zhang, Shan-Jun; Zhang, Jun; Zhou, Qing-Qing; Dong, Lin; Chen, Ying-Chun","Aminocatalytic Asymmetric exo-Diels-Alder Reaction with Methiodide Salts of Mannich Bases and 2,4-Dienals to Construct Chiral Spirocycles.","Organic letters","2013","15","4","968","971","10.1021/ol4002015","","","1.54184","CuKα","","0.0327","0.0326","","","0.087","0.0871","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509363","7.718","","7.718","","12.166","","90","","90.04","","90","","724.698","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Ag Gd S2 -","- Ag Gd S2 -","- Ag8 Gd8 S16 -","8","4","","van de Belt, R.; Wiegers, G.A.; van der Lee, A.","Syntheses and structures of Ag Ln S2 (Ln= Sm-Yb) compounds","Journal of Alloys Compd.","1992","178","","57","70","10.1016/0925-8388(92)90247-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509380","7.633","","7.637","","11.958","","90","","90.07","","90","","697.07","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Ag Ho S2 -","- Ag Ho S2 -","- Ag8 Ho8 S16 -","8","4","","Wiegers, G.A.; van de Belt, R.; van der Lee, A.","Syntheses and structures of Ag Ln S2 (Ln= Sm-Yb) compounds","Journal of Alloys Compd.","1992","178","","57","70","10.1016/0925-8388(92)90247-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509708","4.2","","6.86","","9.7","","90","","125.26","","90","","228.204","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag2 S -","- Ag2 S -","- Ag4 S2 -","2","1","","Mori, M.; Watanabe, N.; Hasegawa, T.; Iida, H.; Kashida, S.; Savrasov, S.","Electronic structure of Ag2 S, band calculation and photoelectron spectroscopy","Solid State Ionics","2003","158","","167","175","10.1016/S0167-2738(02)00768-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509941","5.3713","","9.9835","","16.2249","","90","","90.904","","90","","869.942","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ag6 (Ge2 O7)","","- Ag6 Ge2 O7 -","- Ag6 Ge2 O7 -","- Ag24 Ge8 O28 -","4","2","","Linke, C.; Jansen, M.","Die Tieftemperaturmmodifikationen von Ag6 Si2 O7 und Ag6 Ge2 O7 Darstellung, Kristallstrukturen und Vergleich der Ag-Ag Abstaende","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","486","493","10.1002/zaac.19966220317","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509947","5.3043","","9.7533","","15.9283","","90","","91.165","","90","","823.871","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ag6 (Si2 O7)","","- Ag6 O7 Si2 -","- Ag6 O7 Si2 -","- Ag24 O28 Si8 -","4","2","","Jansen, M.; Linke, C.","Die Tieftemperaturmmodifikationen von Ag6 Si2 O7 und Ag6 Ge2 O7 Darstellung, Kristallstrukturen und Vergleich der Ag-Ag Abstaende","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","486","493","10.1002/zaac.19966220317","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510252","7.145","","16.79","","8.291","","90","","107.13","","90","","950.503","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Na5 (Au Se12)","","- Au Na5 Se12 -","- Au Na5 Se12 -","- Au2 Na10 Se24 -","2","1","","Klepp, K.O.; Sing, M.; Weithaler, C.","Na5 Au Se12 - the first selenoaurate(III) with discrete complex anions","Journal of Alloys Compd.","1998","269","","92","97","10.1016/S0925-8388(98)00002-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510611","5.356","","5.766","","8.649","","90","","101.39","","90","","261.844","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(Br F3) (Au F3)","","- Au Br F6 -","- Au Br F6 -","- Au2 Br2 F12 -","2","1","","Platte, C.; Benkic, P.; Richardson, T.J.; Bartlett, N.; Dove, M.F.A.","Concerning the crystal structure of Br F3 * Au F3","Journal of Fluorine Chemistry","2001","110","","83","86","10.1016/S0022-1139(01)00414-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510908","8.66","","13.95","","5.69","","90","","103.7","","90","","667.835","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li3 Eu2 (B O3)3","","- B3 Eu2 Li3 O9 -","- B3 Eu2 Li3 O9 -","- B6 Eu4 Li6 O18 -","2","1","","Dzhafarov, G.G.; Mamedov, Kh.S.; Abdullaev, G.K.","Structure cristalline de l'orthoborate double de lithium et d'europium - Li3 Eu2 (B O3)3","Azerbaidzhanskii Khimicheskii Zhurnal","1977","1977","","115","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511474","5.0448","","13.1688","","13.3933","","90","","90.069","","90","","889.769","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li4 (B4 Si8 O24)","","- B4 Li4 O24 Si8 -","- B4 Li4 O24 Si8 -","- B8 Li8 O48 Si16 -","2","1","","Parise, J.B.; Gier, T.E.","Hydrothermal synthesis and structure of Li4 B4 Si8 O24","International Journal of Inorganic Materials","2000","2","","81","86","10.1016/S1466-6049(99)00072-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511840","12.07","0.01","7.88","0.006","14.734","0.012","90","","93.781","0.009","90","","1398.3","1.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.1102","0.0489","","","0.0861","0.1068","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511841","6.422","0.004","11.87","0.007","9.689","0.006","90","","103.415","0.006","90","","718.4","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C30 H42 Cl2 O8 -","2","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.059","0.0397","","","0.0693","0.076","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511842","6.155","0.008","11.287","0.015","9.836","0.013","90","","96.098","0.014","90","","679.5","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.0741","0.0523","","","0.116","0.1282","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511846","8.4324","0.0002","16.6283","0.0003","10.8816","0.0002","90","","96.174","0.001","90","","1516.93","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O8 -","- C35 H42 O8 -","- C70 H84 O16 -","2","1","","Wang, Luo-Yi; Wu, Jian; Yang, Zhuo; Wang, Xu-Jie; Fu, Yan; Liu, Shuang-Zhu; Wang, Hong-Min; Zhu, Wei-Liang; Zhang, Hai-Yan; Zhao, Wei-Min","(M)- and (P)-Bicelaphanol A, Dimeric Trinorditerpenes with Promising Neuroprotective Activity fromCelastrus orbiculatus","Journal of Natural Products","2013","76","4","745","","10.1021/np3008182","","","1.54178","CuKα","","0.0282","0.0279","","","0.0864","0.087","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511847","11.3275","0.0002","7.8127","0.0001","13.6034","0.0002","90","","90.954","0.001","90","","1203.71","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","1","","Shao, Chang-Lun; Xu, Ru-Fang; Wei, Mei-Yan; She, Zhi-Gang; Wang, Chang-Yun","Structure and Absolute Configuration of Fumiquinazoline L, an Alkaloid from a Gorgonian-DerivedScopulariopsissp. Fungus","Journal of Natural Products","2013","76","4","779","","10.1021/np4002042","","","1.54178","CuKα","","0.0285","0.0281","","","0.0749","0.0751","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511849","15.6976","0.0007","25.2314","0.001","35.5709","0.0017","90","","94.636","0.003","90","","14042.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32.5 H47.625 N8 O5.6875 -","- C32.5 H47.625 N8 O5.6875 -","- C520 H762 N128 O91 -","16","8","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.1237","0.0875","","","0.2341","0.2691","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1511852","14.599","0.004","7.637","0.0019","20.16","0.005","90","","102.416","0.003","90","","2195.1","1","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O7 S -","- C22 H22 Br N O7 S -","- C88 H88 Br4 N4 O28 S4 -","4","2","","Yang, Wen; Yang, Yi; Du, Da-Ming","Squaramide-tertiary amine catalyzed asymmetric cascade sulfa-Michael/Michael addition via dynamic kinetic resolution: access to highly functionalized chromans with three contiguous stereocenters.","Organic letters","2013","15","6","1190","1193","10.1021/ol400025a","","","0.71073","MoKα","","0.0636","0.0585","","","0.1328","0.1382","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1511859","9.8118","0.0003","8.1212","0.0002","10.115","0.0003","90","","104.002","0.003","90","","782.05","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Zhang, Da-Li; Zhou, Li-Yan; Quan, Jun-Min; Zhang, Wei; Gu, Lian-Quan; Huang, Zhi-Shu; An, Lin-Kun","Oxygen insertion of o-quinone under catalytic hydrogenation conditions.","Organic letters","2013","15","6","1162","1165","10.1021/ol400164e","","","1.54178","CuKα","","0.0324","0.0312","","","0.0816","0.0828","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511870","10.2325","0.0005","17.7301","0.0008","12.7057","0.0006","90","","105.974","0.001","90","","2216.1","0.18","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","Peptide","","","- C22 H31 N3 O5 -","- C22 H31 N3 O5 -","- C88 H124 N12 O20 -","4","2","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0665","0.0591","","","0.1233","0.1266","","","","","","1.186","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511871","8.677","0.003","12.585","0.004","11.434","0.004","90","","98.801","0.009","90","","1233.9","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C21 H31 N3 O7 S -","- C21 H31 N3 O7 S -","- C42 H62 N6 O14 S2 -","2","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0328","0.0305","","","0.0845","0.0867","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511882","7.4251","0.0011","11.3441","0.0016","18.176","0.003","90","","91.632","0.002","90","","1530.4","0.4","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","2","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71073","MoKα","","0.029","0.0271","","","0.0655","0.0666","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511891","7.5203","0.0001","11.5007","0.0001","13.5727","0.0001","90","","100.496","0.001","90","","1154.24","0.02","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 S -","- C24 H26 N2 O6 S -","- C48 H52 N4 O12 S2 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A.","Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.","Organic letters","2013","15","6","1386","1389","10.1021/ol400356k","","","1.54184","CuKα","","0.0243","0.0239","","","0.0644","0.0649","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511897","11.2375","0.0003","6.1253","0.0001","11.8492","0.0003","90","","95.395","0.001","90","","812","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","2","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0224","0.0224","","","0.0573","0.0574","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511901","10.756","0.002","9.1384","0.0016","13.732","0.003","90","","90.326","0.005","90","","1349.7","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O4 S -","- C30 H31 N O4 S -","- C60 H62 N2 O8 S2 -","2","1","","Kamimura, Akio; So, Masahiro; Ishikawa, Shingo; Uno, Hidemitsu","Pd-catalyzed tandem sp2-sp3 coupling reactions of chiral stannolanes: an efficient preparation of optically active tetrahydrobenz[f]isoindoles.","Organic letters","2013","15","6","1402","1405","10.1021/ol4003948","","","0.71075","MoKα","","","0.0438","","","","0.1324","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511902","7.062","0.003","9.027","0.004","13.891","0.007","90","","101.281","0.006","90","","868.4","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Kamimura, Akio; So, Masahiro; Ishikawa, Shingo; Uno, Hidemitsu","Pd-catalyzed tandem sp2-sp3 coupling reactions of chiral stannolanes: an efficient preparation of optically active tetrahydrobenz[f]isoindoles.","Organic letters","2013","15","6","1402","1405","10.1021/ol4003948","","","0.71075","MoKα","","0.0367","0.032","","","0.0691","0.0711","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511925","9.402","0.0002","8.096","0.0002","10.9386","0.0002","90","","108.285","0.0013","90","","790.59","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C34 H52 O6 -","2","1","","Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.","Organic letters","2013","15","8","1934","1937","10.1021/ol400583c","","","0.71073","MoKα","","0.0396","0.0343","","0.0947","0.093","0.0947","","","","","","0.9428","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511928","10.5602","0.0005","10.4546","0.0004","37.7085","0.0015","90","","95.612","0.002","90","","4143.2","0.3","173","2","173","2","","","101.3","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H46 N2 O15 -","- C41 H46 N2 O15 -","- C164 H184 N8 O60 -","4","2","","Masubuti, Hironori; Endo, Yasuhisa; Araya, Hiroshi; Uekusa, Hidehiro; Fujimoto, Yoshinori","Establishment of Benzodioxazine Core Structure for Sarcodonin Class of Natural Products by X-ray Analysis","Organic Letters","2013","15","9","2076","","10.1021/ol400595k","","x-ray","1.54186","CuKα","","0.1734","0.0765","","","0.166","0.2199","","","","","","0.975","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511933","8.7086","0.0004","10.3343","0.0005","10.3919","0.0005","90","","113.168","0.002","90","","859.82","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 Br O -","- C21 H21 Br O -","- C42 H42 Br2 O2 -","2","1","","Newcomb, Eric T.; Ferreira, Eric M.","Highly enantiospecific platinum-catalyzed cycloisomerizations: synthesis of enantioenriched oxabicycloheptene derivatives.","Organic letters","2013","15","7","1772","1775","10.1021/ol400625f","","","0.71073","MoKα","","0.0306","0.0281","","","0.0692","0.07","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511941","10.799","0.0002","17.2424","0.0003","13.5434","0.0002","90","","104.44","0.001","90","","2442.13","0.07","150","","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H31 Cl3 O12 -","- C64 H31 Cl3 O12 -","- C128 H62 Cl6 O24 -","2","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","1.54178","CuKα","","0.056","0.048","","","0.1218","0.1271","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511946","10.8673","0.0011","8.4827","0.0007","13.5712","0.0013","90","","108.588","0.001","90","","1185.79","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O4 -","- C27 H33 N3 O4 -","- C54 H66 N6 O8 -","2","1","","Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis","Organic Letters","2013","15","9","2168","","10.1021/ol400694h","","","0.71073","MoKα","","0.076","0.053","","","0.1325","0.1571","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511955","12.8417","0.0004","6.6522","0.0001","14.8628","0.0005","90","","109.357","0.004","90","","1197.89","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C56 H66 N2 O6 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","1.5418","CuKα","","0.0469","0.0376","","0.1101","0.0861","0.1101","","","","","","0.938","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511956","11.1676","0.0004","8.2551","0.0003","12.4524","0.0005","90","","90.8174","0.0016","90","","1147.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl3 N O4 -","- C21 H26 Cl3 N O4 -","- C42 H52 Cl6 N2 O8 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","0.71073","MoKα","","0.1118","0.0604","","0.0998","0.0697","0.0622","","","","","","1.0257","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511957","10.3223","0.0003","6.9861","0.0002","12.9927","0.0003","90","","101.708","0.003","90","","917.44","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","1.5418","CuKα","","0.0326","0.0308","","0.064","0.0624","0.064","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511962","9.7546","0.0003","10.4476","0.0003","10.2161","0.0003","90","","99.939","0.003","90","","1025.52","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Prevezol C 1","","","- C20 H33 Br O3 -","- C20 H33 Br O3 -","- C40 H66 Br2 O6 -","2","1","","Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.","Synthesis of the Proposed Structures of Prevezol C","Organic Letters","2013","15","9","2198","","10.1021/ol400754e","","","1.54184","CuKα","","0.0228","0.0225","","","0.0581","0.0584","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511963","8.9991","0.0002","10.9067","0.0003","10.2688","0.0002","90","","100.666","0.002","90","","990.47","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Prevezol C 2","","","- C20 H33 Br O3 -","- C20 H33 Br O3 -","- C40 H66 Br2 O6 -","2","1","","Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.","Synthesis of the Proposed Structures of Prevezol C","Organic Letters","2013","15","9","2198","","10.1021/ol400754e","","","1.54184","CuKα","","0.0242","0.0241","","","0.0653","0.0653","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511970","9.065","0.004","9.097","0.003","13.423","0.005","90","","90.573","0.015","90","","1106.9","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O8 -","- C22 H20 Br N O8 -","- C44 H40 Br2 N2 O16 -","2","1","","Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang","Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center","Organic Letters","2013","15","9","2250","","10.1021/ol400821q","","","0.71073","MoKα","","0.0734","0.068","","","0.1712","0.1792","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511973","6.2078","0.0006","14.3876","0.0013","14.9337","0.0013","90","","98.625","0.003","90","","1318.7","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C52 H42 Br2 N4 O4 -","2","1","","Liu, Renrong; Zhang, Junliang","Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine","Organic Letters","2013","15","9","2266","","10.1021/ol400845c","","","0.71073","MoKα","","0.0577","0.0522","","","0.1381","0.1417","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511975","7.6708","0.0009","8.4422","0.0011","12.7475","0.0014","90","","105.477","0.006","90","","795.57","0.17","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Fujihara, Tetsuaki; Tatsumi, Kenta; Terao, Jun; Tsuji, Yasushi","Palladium-Catalyzed Formal Hydroacylation of Allenes Employing Acid Chlorides and Hydrosilanes","Organic Letters","2013","15","9","2286","","10.1021/ol400862k","","","0.7107","MoKα","","","0.0556","","","","0.1426","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512020","16.701","0.002","11.1116","0.0014","19.871","0.002","90","","102.454","0.002","90","","3600.8","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 Lu N3 O2 Si2 -","- C32 H50 Lu N3 O2 Si2 -","- C128 H200 Lu4 N12 O8 Si8 -","4","2","","Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang","Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand","Macromolecules","2013","46","9","3257","","10.1021/ma4005549","","","0.71073","MoKα","","0.098","0.0699","","","0.1889","0.2786","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512022","11.0086","0.0013","16.54","0.002","19.816","0.002","90","","101.808","0.002","90","","3531.8","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N3 O2 Sc Si2 -","- C32 H50 N3 O2 Sc Si2 -","- C128 H200 N12 O8 Sc4 Si8 -","4","2","","Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang","Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand","Macromolecules","2013","46","9","3257","","10.1021/ma4005549","","","0.71073","MoKα","","0.0556","0.0483","","","0.1282","0.1359","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512023","13.646","0.003","8.3619","0.0017","14.658","0.003","90","","115.775","0.011","90","","1506.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","nor-rhazinicine","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.1554","0.1416","","","0.3237","0.3423","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512031","9.4606","0.0007","11.498","0.0006","9.8624","0.0005","90","","109.521","0.003","90","","1011.15","0.11","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 F N Si -","- C27 H18 F N Si -","- C54 H36 F2 N2 Si2 -","2","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.051","0.0342","","","0.0689","0.0919","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512059","9.241","0.0017","7.3317","0.0013","14.239","0.003","90","","106.149","0.003","90","","926.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 F3 N O6 -","- C17 H26 F3 N O6 -","- C34 H52 F6 N2 O12 -","2","1","","Cheng, Jin-Tang; Liu, Fei; Li, Xiao-Nian; Wu, Xing-De; Dong, Liao-Bin; Peng, Li-Yan; Huang, Sheng-Xiong; He, Juan; Zhao, Qin-Shi","Lycospidine A, a New Type ofLycopodiumAlkaloid fromLycopodium complanatum","Organic Letters","2013","15","10","2438","","10.1021/ol400907v","","","0.71073","MoKα","","0.0415","0.037","","","0.097","0.1002","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512061","12.404","0.007","15.975","0.008","19.814","0.007","90","","107.76","0.04","90","","3739","3","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 O11 S -","- C38 H44 N2 O11 S -","- C152 H176 N8 O44 S4 -","4","2","","Amat, Mercedes; Arioli, Federica; Pérez, Maria; Molins, Elies; Bosch, Joan","Preparation and Double Michael Addition Reactions of a Synthetic Equivalent of the Nazarov Reagent","Organic Letters","2013","15","10","2470","","10.1021/ol400934c","","x-ray","0.71073","MoKα","","0.1151","0.0905","","","0.2586","0.2782","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512071","16.6226","0.0013","8.1062","0.0004","21.4226","0.0012","90","","92.615","0.004","90","","2883.6","0.3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 Ru -","- C20 H28 O4 Ru -","- C120 H168 O24 Ru6 -","6","3","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0375","","","","0.1016","","","","","","0.874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512079","12.6439","0.0003","6.8702","0.0002","13.2201","0.0004","90","","97.454","0.002","90","","1138.67","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H42 O2 -","- C25 H42 O2 -","- C50 H84 O4 -","2","1","","Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang","Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242","Organic Letters","2013","15","10","2522","","10.1021/ol401005j","","","1.54178","CuKα","","0.063","0.0595","","","0.1499","0.154","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512090","7.5725","0.0003","15.488","0.0006","11.7937","0.0005","90","","100.558","0.001","90","","1359.78","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C56 H74 N2 O10 Si2 -","2","1","","Wales, Steven M.; Walker, Morgan M.; Johnson, Jeffrey S.","Asymmetric Synthesis of Indole Homo-Michael Adducts via Dynamic Kinetic Friedel‒Crafts Alkylation with Cyclopropanes","Organic Letters","2013","15","10","2558","","10.1021/ol4010646","","","1.54178","CuKα","","0.0266","0.0262","","","0.0669","0.0673","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512126","13.1973","0.0018","10.9585","0.0015","24.226","0.003","90","","100.216","0.002","90","","3448.1","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H96 Cl2 O31 -","- C64 H92 Cl2 O31 -","- C128 H184 Cl4 O62 -","2","1","","Li, Yan-Ping; Li, Xiao-Nian; Gao, Ling-Huan; Li, Hai-Zhou; Wu, Guo-Xing; Li, Rong-Tao","Neopierisoids A and B, Two New Chlorinated 3,4-seco-Grayanane Diterpenoids with Antifeedant Activity from Flowers of Pieris japonica","Journal of Agricultural and Food Chemistry","2013","61","30","7219","","10.1021/jf401921x","","","0.71073","MoKα","","0.0865","0.0627","","","0.1628","0.1804","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512129","12.6284","0.0011","25.1469","0.0015","17.7155","0.0011","90","","91.527","0.008","90","","5623.8","0.7","93","2","93","2","","","","","","","crystallized from dma solution","7","P 1 21 1","P 2yb","4","octakis(dma)lanthanum(III) triflate","octakis(dma)lanthanum(III) trifluoromethanesulfonate","","- C35 H72 F9 La N8 O17 S3 -","- C35 H72 F9 La N8 O17 S3 -","- C140 H288 F36 La4 N32 O68 S12 -","4","2","","Fuchs, Anna; Lundberg, Daniel; Warmińska, Dorota; Persson, Ingmar","On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions.","The journal of physical chemistry. B","2013","117","28","8502","8511","10.1021/jp310111j","","x-ray","0.71073","MoKα","","0.1068","0.0952","","","0.2309","0.2454","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512144","6.0818","0.0002","19.4319","0.0007","12.9792","0.0004","90","","90.883","0.002","90","","1533.71","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O5 -","- C13 H26 O5 -","- C52 H104 O20 -","4","2","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0328","0.0324","","","0.0907","0.0914","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512150","6.7617","0.0003","7.8646","0.0003","12.6936","0.0005","90","","102.866","0.002","90","","658.07","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O3 -","- C13 H26 O3 -","- C26 H52 O6 -","2","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.04","0.0398","","","0.1108","0.111","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512152","8.3971","0.0013","8.7391","0.0015","12.748","0.002","90","","94.95","0.02","90","","932","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H17 F4 N O4 S -","- C19 H17 F4 N O4 S -","- C38 H34 F8 N2 O8 S2 -","2","1","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0318","0.0286","","","0.0704","0.0725","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512153","11.2174","0.0002","5.9846","0.0001","16.7692","0.0004","90","","98.354","0.001","90","","1113.8","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H36 O11 -","- C19 H36 O11 -","- C38 H72 O22 -","2","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0288","0.0286","","","0.0741","0.0743","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512171","11.6095","0.001","8.1912","0.0007","14.3037","0.0012","90","","98.589","0.001","90","","1345","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","2","","Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi","Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua","Organic Letters","2013","15","14","3570","","10.1021/ol401411m","","","0.71073","MoKα","","0.0299","0.0293","","","0.0783","0.079","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512184","10.4508","0.0014","7.793","0.0007","16.9387","0.0019","90","","96.332","0.007","90","","1371.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","1","","Caumes, Cécile; Fernandes, Carlos; Roy, Olivier; Hjelmgaard, Thomas; Wenger, Emmanuel; Didierjean, Claude; Taillefumier, Claude; Faure, Sophie","Cyclic α,β-Tetrapeptoids: Sequence-Dependent Cyclization and Conformational Preference","Organic Letters","2013","15","14","3626","","10.1021/ol401478j","","x-ray","0.71073","MoKα","","0.0604","0.0474","","","0.0913","0.0989","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512188","11.4703","0.0002","11.1191","0.0002","19.4805","0.0003","90","","97.1691","0.0013","90","","2465.11","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C108 H136 O32 -","4","2","","Li, Jun; Li, Min-Yi; Bruhn, Torsten; Katele, Félix Zongwe; Xiao, Qiang; Pedpradab, Patchara; Wu, Jun; Bringmann, Gerhard","Thaixylomolins A‒C: Limonoids Featuring Two New Motifs from the ThaiXylocarpus moluccensis","Organic Letters","2013","15","14","3682","","10.1021/ol401556m","","","1.54184","CuKα","","0.0379","0.0361","","","0.0939","0.096","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512189","9.829","0.0012","19.271","0.002","10.0453","0.0012","90","","106.62","0.012","90","","1823.2","0.4","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H13 F4 N O4 S -","- C18 H13 F4 N O4 S -","- C72 H52 F16 N4 O16 S4 -","4","2","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0479","0.0364","","","0.0704","0.0735","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512195","6.2382","0.0006","13.1872","0.0011","15.828","0.0014","90","","92.814","0.007","90","","1300.5","0.2","263","","263","","","","","","","","Chemical Synthesis","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C58 H62 N6 O12 -","2","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0472","0.0447","","0.1201","0.1182","0.1201","","","","","","0.9847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512206","12.0729","0.0006","9.5122","0.0005","13.6363","0.0007","90","","109.831","0.0011","90","","1473.13","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Br Cl2 N4 -","- C34 H31 Br Cl2 N4 -","- C68 H62 Br2 Cl4 N8 -","2","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.0502","0.0445","","","0.1056","0.1096","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512224","14.9276","0.0008","7.5419","0.0004","18.8462","0.001","90","","108.512","0.001","90","","2011.97","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H38 F6 Fe N2 O P2 S -","- C45 H38 F6 Fe N2 O P2 S -","- C90 H76 F12 Fe2 N4 O2 P4 S2 -","2","1","","Zhao, Qingyang; Li, Shengkun; Huang, Kexuan; Wang, Rui; Zhang, Xumu","A Novel Chiral Bisphosphine-Thiourea Ligand for Asymmetric Hydrogenation of β,β-Disubstituted Nitroalkenes.","Organic letters","2013","15","15","4014","4017","10.1021/ol401816y","","","0.71073","MoKα","","0.0653","0.0558","","","0.1176","0.1227","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512226","10.1413","0.0001","8.5445","0.0001","10.7861","0.0007","90","","105.649","0.007","90","","900","0.07","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 S -","- C18 H30 O5 S -","- C36 H60 O10 S2 -","2","1","","Huang, Jun; Fang, Lichao; Long, Rong; Shi, Li-Li; Shen, Hong-Juan; Li, Chuang-Chuang; Yang, Zhen","Asymmetric Total Synthesis of (+)-Fusarisetin A via the Intramolecular Pauson-Khand Reaction.","Organic letters","2013","15","15","4018","4021","10.1021/ol401831w","","","1.54187","CuKα","","0.0324","0.0293","","","0.069","0.0712","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512237","9.6209","0.0009","7.1606","0.0005","13.1936","0.0006","90","","94.002","0.006","90","","906.71","0.11","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C40 H38 Br2 N4 O2 -","2","1","","He, Ying; Kang, Tai-Ran; Liu, Quan-Zhong; Chen, Lian-Mei; Tu, Yi-Lian; Liu, Ya-Jun; Chen, Tang-Bin; Wang, Zhi-Qiang; Liu, Jie; Xie, Yong-Mei; Yang, Jin-Liang; He, Long","One-pot synthesis of optically enriched 2-piperidinones from aliphatic aldehydes and cyanoacrylamides.","Organic letters","2013","15","16","4054","4057","10.1021/ol401951g","","","0.71073","MoKα","","0.0747","0.041","","","0.072","0.0838","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512262","5.067","0.002","18.451","0.008","14.842","0.007","90","","95.254","0.009","90","","1381.8","1","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H38 N4 O7 S2 -","- C23 H38 N4 O7 S2 -","- C46 H76 N8 O14 S4 -","2","1","","Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa","Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide","The Journal of Physical Chemistry B","2013","117","37","10785","","10.1021/jp406497r","","","0.71073","MoKα","","0.0888","0.0743","","","0.176","0.1879","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512271","9.5122","0.0002","15.1148","0.0002","16.0879","0.0003","90","","90.1171","0.0009","90","","2313.03","0.07","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C19 H35 I O4 Si -","- C19 H35 I O4 Si -","- C76 H140 I4 O16 Si4 -","4","2","","Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.","Journal of natural products","2013","76","8","1514","1518","10.1021/np4002866","","","0.71073","MoKα","","0.0508","0.0351","","0.079","0.0729","0.079","","","","","","0.9766","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512276","20.9983","0.0006","7.8332","0.0002","23.1219","0.0009","90","","93.695","0.001","90","","3795.3","0.2","140","1","140","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1- ((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a- (epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione","","- C29 H42 O4 -","- C29 H42 O4 -","- C174 H252 O24 -","6","3","","Kolesnikova, Sophia A.; Lyakhova, Ekaterina G.; Kalinovsky, Anatoly I.; Pushilin, Michail A.; Afiyatullov, Shamil Sh; Yurchenko, Ekaterina A.; Dyshlovoy, Sergey A.; Minh, Chau V.; Stonik, Valentin A.","Isolation, Structures, and Biological Activities of Triterpenoids from a Penares sp. Marine Sponge.","Journal of natural products","2013","76","9","1746","1752","10.1021/np400388x","","x-ray","0.71073","MoKα","","0.0524","0.0385","","","0.085","0.0908","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512278","9.755","0.002","7.3684","0.0015","13.584","0.003","90","","94.78","0.03","90","","973","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0363","0.0355","","","0.0949","0.0958","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512280","12.216","0.002","7.8934","0.0016","13.14","0.003","90","","113.92","0.03","90","","1158.2","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 F6 N3 O5 -","- C25 H21 F6 N3 O5 -","- C50 H42 F12 N6 O10 -","2","1","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0332","0.0331","","","0.0905","0.0907","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512283","10.4507","0.0001","16.2752","0.0002","11.5043","0.0001","90","","101.09","0.0005","90","","1920.19","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O2 S -","- C21 H21 Br N2 O2 S -","- C84 H84 Br4 N8 O8 S4 -","4","2","","Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J.","Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade.","Organic letters","2013","15","17","4330","4333","10.1021/ol401784h","","","0.71073","MoKα","","0.0325","0.0286","","0.0635","0.0616","0.0635","","","","","","0.9896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512300","11.3028","0.0002","6.4336","0.0002","23.8826","0.0005","90","","93.676","0.001","90","","1733.11","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Zhou, Min; Zhang, Hai-Bo; Wang, Wei-Guang; Gong, Ning-Bo; Zhan, Rui; Li, Xiao-Nian; Du, Xue; Li, Li-Mei; Li, Yan; Lu, Yang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius.","Organic letters","2013","15","17","4446","4449","10.1021/ol401991u","","","1.54178","CuKα","","0.0623","0.0527","","","0.1503","0.1608","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512301","6.819","0.003","7.317","0.005","19.999","0.01","90","","99.0959","0.001","90","","985.3","0.9","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H36 O4 -","- C21 H36 O4 -","- C42 H72 O8 -","2","1","","Zhou, Min; Zhang, Hai-Bo; Wang, Wei-Guang; Gong, Ning-Bo; Zhan, Rui; Li, Xiao-Nian; Du, Xue; Li, Li-Mei; Li, Yan; Lu, Yang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius.","Organic letters","2013","15","17","4446","4449","10.1021/ol401991u","","","1.54178","CuKα","","0.0536","0.0463","","","0.1245","0.1319","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512332","9.6564","0.0003","8.3932","0.0002","9.8414","0.0003","90","","102.188","0.003","90","","779.65","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Voatinggine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate","Organic Letters","2013","15","18","4774","","10.1021/ol4021404","","","1.54184","CuKα","","0.0376","0.0373","","","0.1061","0.1064","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512334","10.029","0.002","10.377","0.002","12.246","0.003","90","","104.183","0.002","90","","1235.6","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O6 S2 -","- C27 H23 N O6 S2 -","- C54 H46 N2 O12 S4 -","2","1","","Wang, Quan-Gang; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An Asymmetric Allylic Alkylation‒Smiles Rearrangement‒Sulfinate Addition Sequence to Construct Chiral Cyclic Sulfones","Organic Letters","2013","15","18","4786","","10.1021/ol402158u","","","0.71073","MoKα","","0.0456","0.0395","","","0.0746","0.0778","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1512339","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A.","Organic letters","2013","15","17","4584","4587","10.1021/ol4021892","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512346","6.4311","0.0002","10.2155","0.0003","14.4708","0.0005","90","","90.972","0.001","90","","950.55","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","13100a","","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C42 H48 Br2 N2 O6 -","2","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0187","0.0187","","","0.0489","0.049","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512373","11.9649","0.001","5.9267","0.0005","17.3226","0.0014","90","","105.988","0.002","90","","1180.87","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F6 O4 P S -","- C23 H19 F6 O4 P S -","- C46 H38 F12 O8 P2 S2 -","2","1","","Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.","Organic letters","2013","15","19","5016","5019","10.1021/ol402351c","","","0.71073","MoKα","","0.0672","0.0526","","","0.1335","0.1448","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512374","10.0213","0.0011","9.8951","0.0011","13.7604","0.0015","90","","98.053","0.002","90","","1351.1","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H30 N O3 P Pd S -","- C29 H30 N O3 P Pd S -","- C58 H60 N2 O6 P2 Pd2 S2 -","2","1","","Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.","Organic letters","2013","15","19","5016","5019","10.1021/ol402351c","","","0.71073","MoKα","","0.0593","0.0587","","","0.1516","0.1523","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512380","11.7108","0.0003","11.236","0.0003","22.3436","0.0005","90","","103.523","0.001","90","","2858.52","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O12 -","- C30 H36 O12 -","- C120 H144 O48 -","4","2","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0714","0.0708","","","0.1938","0.1951","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512388","5.293","0.0003","8.781","0.0006","20.7367","0.001","90","","91.303","0.005","90","","963.55","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br N O2 -","- C24 H18 Br N O2 -","- C48 H36 Br2 N2 O4 -","2","1","","Zhang, Hai-Rui; Dong, Zhen-Wen; Yang, Yu-Jie; Wang, Ping-Luan; Hui, Xin-Ping","N-heterocyclic carbene-catalyzed stereoselective cascade reaction: synthesis of functionalized tetrahydroquinolines.","Organic letters","2013","15","18","4750","4753","10.1021/ol4024985","","","0.7107","MoKα","","0.0652","0.0491","","","0.0999","0.108","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512395","9.2559","0.0004","7.6278","0.0004","17.566","0.0009","90","","95.99","0.002","90","","1233.43","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O4 S -","- C27 H26 Br N O4 S -","- C54 H52 Br2 N2 O8 S2 -","2","1","","Dou, Xiaowei; Zhou, Bo; Yao, Weijun; Zhong, Fangrui; Jiang, Chunhui; Lu, Yixin","A Facile Approach for the Asymmetric Synthesis of Oxindoles with a 3-Sulfenyl-Substituted Quaternary Stereocenter.","Organic letters","2013","15","19","4920","4923","10.1021/ol402579x","","","0.71073","MoKα","","0.0259","0.0244","","","0.0585","0.0589","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512412","9.182","0.002","7.4731","0.0017","13.494","0.003","90","","106.672","0.003","90","","887","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Co N4 O2 -","- C20 H18 Co N4 O2 -","- C40 H36 Co2 N8 O4 -","2","1","","Rui-hong Zhang; Qing-lun Wang; Guang-ming Yang","Synthesis and crystal structures of the first cobalt complexes of macrocyclic oxamido","Inorganica Chimica Acta","2012","390","","178","183","10.1016/j.ica.2012.04.022","","","0.71073","MoKα","","0.0255","0.0234","","","0.0593","0.0606","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512561","8.3638","0.0008","13.8405","0.0012","11.1316","0.0011","90","","94.755","0.001","90","","1284.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","aniduquinolone a","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C54 H66 N2 O12 -","2","1","","An, Chun-Yan; Li, Xiao-Ming; Luo, Han; Li, Chun-Shun; Wang, Ming-Hui; Xu, Gang-Ming; Wang, Bin-Gui","4-Phenyl-3,4-dihydroquinolone Derivatives from Aspergillus nidulans MA-143, an Endophytic Fungus Isolated from the Mangrove Plant Rhizophora stylosa.","Journal of natural products","2013","76","10","1896","1901","10.1021/np4004646","","","0.71073","MoKα","","0.0764","0.0496","","","0.0992","0.1069","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512573","9.7685","0.0005","26.1496","0.0011","10.6114","0.0006","90","","116.328","0.007","90","","2429.4","0.3","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 I N3 O4 S -","- C25 H24 I N3 O4 S -","- C100 H96 I4 N12 O16 S4 -","4","2","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.0397","0.0339","","","0.0712","0.0745","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512585","9.6627","0.0007","13.449","0.0009","12.0884","0.0008","90","","90.961","0.001","90","","1570.71","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H45 N O9 Si -","- C28 H45 N O9 Si -","- C56 H90 N2 O18 Si2 -","2","1","","Tanis, Paul S.; Infantine, Joshua R.; Leighton, James L.","Exploiting pseudo c2-symmetry for an efficient synthesis of the f-ring of the spongistatins.","Organic letters","2013","15","21","5464","5467","10.1021/ol402604s","","","0.71073","MoKα","","0.0515","0.0444","","","0.114","0.1201","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512587","6.2782","0.0007","9.3617","0.0012","13.9272","0.0017","90","","100.666","0.009","90","","804.42","0.17","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Yetra, Santhivardhana Reddy; Kaicharla, Trinadh; Kunte, Sunita S.; Gonnade, Rajesh G.; Biju, Akkattu T.","Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Annulation of Modified Enals with Enolizable Aldehydes","Organic Letters","2013","15","20","5202","","10.1021/ol4026155","","","0.71073","MoKα","","0.0906","0.0416","","","0.0852","0.1007","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512588","7.1357","0.0006","15.2442","0.0007","11.1252","0.001","90","","106.762","0.009","90","","1158.76","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 Cl P2 Pd -","- C20 H35 Cl P2 Pd -","- C40 H70 Cl2 P4 Pd2 -","2","1","","Ding, Boqiang; Zhang, Zhenfeng; Xu, Yang; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-Stereogenic PCP Pincer-Pd Complexes: Synthesis and Application in Asymmetric Addition of Diarylphosphines to Nitroalkenes.","Organic letters","2013","15","21","5476","5479","10.1021/ol402627f","","","0.71073","MoKα","","0.0798","0.061","","","0.161","0.179","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512590","10.9251","0.0003","7.6043","0.0002","11.6088","0.0003","90","","93.167","0.001","90","","962.96","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 O4 P -","- C21 H21 O4 P -","- C42 H42 O8 P2 -","2","1","","Zhou, Yougui; Wang, Shouliang; Wu, Wenhao; Li, Qing; He, Yuwei; Zhuang, Yue; Li, Lanning; Pang, Jiyan; Zhou, Zhongyuan; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Multifunctionalized Biaryls via Asymmetric Suzuki-Miyaura Coupling.","Organic letters","2013","15","21","5508","5511","10.1021/ol402666p","","","0.71073","MoKα","","0.0394","0.0343","","","0.0859","0.09","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512597","7.601","0.0015","15.479","0.003","14.354","0.003","90","","101.76","0.03","90","","1653.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","2","","Cheerlavancha, Raju; Lawer, Aggie; Cagnes, Marina; Bhadbhade, Mohan; Hunter, Luke","Sequential Deoxyfluorination Approach for the Synthesis of Protected α,β,γ-Trifluoro-δ-amino Acids.","Organic letters","2013","15","21","5562","5565","10.1021/ol402756e","","","0.71073","Synchrotron","","0.0346","0.0319","","","0.0785","0.0802","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512599","12.933","0.003","6.1668","0.0013","17.271","0.004","90","","104.696","0.004","90","","1332.4","0.5","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H19 Br Cl N O4 S -","- C25 H19 Br Cl N O4 S -","- C50 H38 Br2 Cl2 N2 O8 S2 -","2","1","","Wang, Shengzheng; Zhang, Yongqiang; Dong, Guoqiang; Wu, Shanchao; Zhu, Shiping; Miao, Zhenyuan; Yao, Jianzhong; Li, Hao; Li, Jian; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Asymmetric Synthesis of Chiral Dihydrothiopyrans via an Organocatalytic Enantioselective Formal Thio [3 + 3] Cycloaddition Reaction with Binucleophilic Bisketone Thioethers.","Organic letters","2013","15","21","5570","5573","10.1021/ol4027705","","","0.71073","MoKα","","0.0514","0.0398","","","0.1033","0.1094","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512627","11.019","0.005","11.209","0.005","11.378","0.005","90","","109.61","0.019","90","","1323.8","1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H29 Cl3 N3 O9 Ru -","- C18 H29 Cl3 N3 O9 Ru -","- C36 H58 Cl6 N6 O18 Ru2 -","2","1","","Takashi Tsuno; Daiki Kato; Henri Brunner; Hayato Ike","Synthesis and structural characterization of bis[(4S,5R)-4-methoxycarbonyl- 5-methyl-1,3-oxazolidine]copper(II) dichloride and bis[(4S,5R)-4- methoxycarbonyl-5-methyl-2-oxazoline]-[(4S,5R)-4-methoxycarbonyl-5-methyl-1,3- oxazolidine]ruthenium(III) trichloride","Inorganica Chimica Acta","2012","392","","331","334","10.1016/j.ica.2012.03.003","","x-ray","0.71073","MoKα","","0.0639","0.0506","","","0.1021","0.1091","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512646","8.3734","0.0006","18.0404","0.0013","13.7622","0.001","90","","95.546","0.001","90","","2069.2","0.3","98","2","98","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H34 Cd4 Cl6 N16 O4 -","- C22 H34 Cd4 Cl6 N16 O4 -","- C44 H68 Cd8 Cl12 N32 O8 -","2","1","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0721","0.0627","","","0.1543","0.1613","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512668","11.8224","0.0006","6.9276","0.0003","12.0972","0.0005","90","","91.513","0.004","90","","990.43","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Malinka Stoyanova; Rositsa Nikolova; Boris Shivachev; Vladimir Dimitrov","Highly efficient synthesis of chiral aminoalcohols with camphane skeleton","Tetrahedron: Asymmetry","2013","24","","1426","","10.1016/j.tetasy.2013.08.015","","","1.54184","CuKα","","0.0887","0.0773","","","0.2141","0.2284","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512777","12.7036","0.0009","23.773","0.002","13.5624","0.0009","90","","106.322","0.007","90","","3930.8","0.5","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H42 B F4 N O2 P2 Pt -","- C42 H42 B F4 N O2 P2 Pt -","- C168 H168 B4 F16 N4 O8 P8 Pt4 -","4","2","","Sangeeta Roy Chaudhuri; Goran N. Kaluderovic; Martin Bette; Jurgen Schmidt; Harry Schmidt; Reinhard Paschke; Dirk Steinborn","Synthesis, characterization and cytotoxicity studies of platinum(II) complexes with amino acid ligands in various coordination modes","Inorganica Chimica Acta","2013","394","","472","480","10.1016/j.ica.2012.08.034","","","0.71073","MoKα","","0.0425","0.0324","","","0.0649","0.0676","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512807","8.568","0.003","11.384","0.004","11.696","0.004","90","","96.06","0.04","90","","1134.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N4 O11 V2 -","- C20 H20 N4 O11 V2 -","- C40 H40 N8 O22 V4 -","2","1","","Grzegorz Romanowski; Tadeusz Lis","Chiral oxidovanadium(V) complexes with tridentate Schiff bases derived from S(+)-2-amino-1-propanol: Synthesis, structure, characterization and catalytic activity","Inorganica Chimica Acta","2013","394","","627","634","10.1016/j.ica.2012.09.030","","","1.5418","CuKα","","0.0321","0.029","","","0.0731","0.0743","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512882","21.1183","0.0011","11.6482","0.0005","13.0005","0.0006","90","","107.138","0.003","90","","3056","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N2 O2 Pt -","- C32 H38 Cl2 N2 O2 Pt -","- C128 H152 Cl8 N8 O8 Pt4 -","4","2","","Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros","Tuning structure and properties of Pd and Pt camphor derived complexes","Inorganica Chimica Acta","2013","395","","169","175","10.1016/j.ica.2012.10.036","","","0.71073","MoKα","","0.0768","0.0444","","","0.0893","0.111","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512913","10.8196","0.0008","19.1126","0.0014","12.074","0.0009","90","","93.189","0.001","90","","2492.9","0.3","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(10) Zr2(OBc)(ONep)7","","","- C40 H86 O9 Zr2 -","- C40 H86 O9 Zr2 -","- C80 H172 O18 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Personal Communication to COD","2013","","","","","","","","0.71073","MoKα","","0.1045","0.0987","","","0.2869","0.2948","","","","","","1.326","","","","has coordinates","205758","2020-10-21","18:00:00",""
"1512949","8.563","0.004","18.336","0.007","9.128","0.004","90","","94.33","0.006","90","","1429.1","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 Ba O15 Pd -","- C20 H38 Ba O15 Pd -","- C40 H76 Ba2 O30 Pd2 -","2","1","","Sergei E. Nefedov; Elena V. Kushan; Marina A. Uvarova; Natalia Yu. Kozitsyna; Michael N. Vargaftik; Ilya I. Moiseev","Unexpected retention of the Pd-Ba heterobimetallic structure upon Pd(mu-OOCMe)4Ba(HOOCMe)4 to 18-crown-6 attachment","Inorganica Chimica Acta","2013","395","","104","108","10.1016/j.ica.2012.10.008","","","0.71073","MoKα","","0.0347","0.0273","","","0.0367","0.0379","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512958","8.0004","0.0013","7.7109","0.001","11.5957","0.0014","90","","95.946","0.012","90","","711.49","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 N O4 Ti -","- C17 H13 N O4 Ti -","- C34 H26 N2 O8 Ti2 -","2","1","","Suryabhan Singh; Subrato Bhattacharya","Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization","Inorganica Chimica Acta","2013","395","","230","236","10.1016/j.ica.2012.11.014","","","0.71073","MoKα","","0.0925","0.085","","","0.2254","0.2351","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513077","8.4083","0.0011","10.1331","0.0014","11.461","0.0013","90","","94.736","0.009","90","","973.2","0.2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C44 H52 O14 -","2","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Yang, Zhengduo; Wild, Christopher; Ye, Na; Ester, Corbin D.; Xiong, Ailian; White, Mark A.; Shen, Qiang; Zhou, Jia","Oridonin Ring A-Based Diverse Constructions of Enone Functionality: Identification of Novel Dienone Analogues Effective for Highly Aggressive Breast Cancer by Inducing Apoptosis","Journal of Medicinal Chemistry","2013","56","21","8814","","10.1021/jm401248x","","","1.5418","CuKα","","0.033","0.0329","","0.0878","0.0876","0.0878","","","","","","0.9813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513079","12.539","0.004","9.781","0.003","13.473","0.005","90","","91.773","0.004","90","","1651.6","1","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cl Na O9 -","- C10 H22 Cl Na O9 -","- C40 H88 Cl4 Na4 O36 -","4","2","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.0815","","","","0.2429","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513103","12.08","0.002","9.919","0.002","13.7","0.003","90","","90.45","0.03","90","","1641.5","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H11 Cl N2 O5 -","- C17 H11 Cl N2 O5 -","- C68 H44 Cl4 N8 O20 -","4","2","","Li, Xiangmin; Wang, Sinan; Li, Tengfei; Li, Jian; Li, Hao; Wang, Wei","Formation of Dihydronaphthalenes via Organocatalytic Enatioselective Michael-Aldol Cascade Reactions with Arylalkanes.","Organic letters","2013","15","22","5634","5637","10.1021/ol402489e","","","1.54178","CuKα","","0.0419","0.0413","","","0.1099","0.1106","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513104","10.2357","0.0006","8.6902","0.0005","14.9501","0.0009","90","","97.803","0.002","90","","1317.5","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 F6 N2 O3 S -","- C29 H22 F6 N2 O3 S -","- C58 H44 F12 N4 O6 S2 -","2","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0686","0.0485","","","0.1096","0.1396","","","","","","1.431","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513122","5.8922","0.0002","22.0263","0.0009","11.1024","0.0004","90","","96.629","0.001","90","","1431.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 N O2 -","- C36 H39 N O2 -","- C72 H78 N2 O4 -","2","1","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0457","0.0386","","","0.0934","0.0981","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513123","8.5443","0.0007","25.924","0.002","11.1528","0.0009","90","","96.665","0.001","90","","2453.7","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O2 -","- C32 H33 N O2 -","- C128 H132 N4 O8 -","4","2","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0773","0.0519","","","0.0993","0.1118","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513139","12.4043","0.0004","11.4302","0.0004","17.7674","0.0006","90","","92.4761","0.0004","90","","2516.77","0.15","88","2","88","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 I N O3 Si -","- C24 H34 I N O3 Si -","- C96 H136 I4 N4 O12 Si4 -","4","2","","Schwarzwalder, Gregg M.; Steinhardt, Sarah E.; Pham, Hung V.; Houk, K. N.; Vanderwal, Christopher D.","Synthesis of the Tetracyclic Core of Exiguaquinol","Organic Letters","2013","15","23","6014","","10.1021/ol402905n","","","0.71073","MoKα","","0.0231","0.0219","","","0.0545","0.0551","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513142","5.775","0.0012","8.1191","0.0011","10.0943","0.0019","90","","93.44","0.02","90","","472.45","0.15","160","2","160","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H16 O5 -","- C8 H16 O5 -","- C16 H32 O10 -","2","1","","Schmalisch, Sebastian; Mahrwald, Rainer","Organocatalyzed direct glycosylation of unprotected and unactivated carbohydrates.","Organic letters","2013","15","22","5854","5857","10.1021/ol402914v","","","0.71073","MoKα","","0.0315","0.0301","","","0.0752","0.0758","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513153","9.255","0.0008","8.8201","0.0007","10.2868","0.0008","90","","107.491","0.008","90","","800.89","0.12","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C34 H42 N2 O8 S2 -","2","1","","Liu, Yong; Kang, Tai-Ran; Liu, Quan-Zhong; Chen, Lian-Mei; Wang, Ya-Chuan; Liu, Jie; Xie, Yong-Mei; Yang, Jin-Liang; He, Long","Enantioselective [4 + 2] Cycloaddition of CyclicN-Sulfimines and Acyclic Enones or Ynones: A Concise Route to Sulfamidate-Fused 2,6-Disubstituted Piperidin-4-ones","Organic Letters","2013","15","23","6090","","10.1021/ol402977w","","","0.71073","MoKα","","0.0434","0.0386","","","0.0925","0.0975","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513173","10.5732","0.0005","13.7918","0.0009","10.4851","0.0007","90","","113.312","0.003","90","","1404.15","0.15","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N2 O6 -","- C27 H38 N2 O6 -","- C54 H76 N4 O12 -","2","1","","Wei-Chuan Chen; Madeleine M. Joullié","The first total synthesis of roquefortine D","Tetrahedron Letters","1998","39","46","8401","8404","10.1016/S0040-4039(98)01957-1","","","0.71069","MoKα","","0.0861","0.0743","","0.1892","0.1791","","","","1.134","1.177","1.177","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513199","12.422","0.002","23.007","0.004","17.388","0.003","90","","100.469","0.003","90","","4886.6","1.4","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H38 Fe N4 O2 P2 Pt S2 -","- C44 H38 Fe N4 O2 P2 Pt S2 -","- C176 H152 Fe4 N16 O8 P8 Pt4 S8 -","4","2","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.1395","0.0973","","","0.2392","0.2644","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513211","15.1625","0.0012","10.255","0.0008","20.9687","0.0017","90","","110.479","0.003","90","","3054.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H70 O39 -","- C43 H70 O39 -","- C86 H140 O78 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.1089","0.0957","","","0.26","0.279","","","","","","1.188","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513212","15.1417","0.0013","10.184","0.001","20.937","0.002","90","","110.926","0.003","90","","3015.6","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H70 N0 O40 -","- C43 H70 O40 -","- C86 H140 O80 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.0945","0.0852","","","0.2413","0.2555","","","","","","1.085","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513223","8.5553","0.0002","7.058","0.0002","18.5846","0.0005","90","","94.668","0.001","90","","1118.48","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O8 -","- C22 H36 O8 -","- C44 H72 O16 -","2","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0312","0.031","","","0.0872","0.0875","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513229","12.0609","0.0002","6.8263","0.0001","29.7481","0.0005","90","","98.082","0.001","90","","2424.87","0.07","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O7 -","- C24 H36 O7 -","- C96 H144 O28 -","4","2","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0373","0.037","","","0.1032","0.1037","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513230","7.9327","0.0014","11.455","0.002","14.741","0.003","90","","91.991","0.004","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 N O2 Si -","- C33 H33 N O2 Si -","- C66 H66 N2 O4 Si2 -","2","1","","Clark, Robert W.; Deaton, T. Maxwell; Zhang, Yan; Moore, Maggie I.; Wiskur, Sheryl L.","Silylation-Based Kinetic Resolution of α-Hydroxy Lactones and Lactams.","Organic letters","2013","15","24","6132","6135","10.1021/ol402982w","","","0.71073","MoKα","","0.0598","0.0466","","","0.0851","0.0907","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513234","11.138","0.003","7.0903","0.0018","14.392","0.004","90","","95.354","0.004","90","","1131.6","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C56 H50 N2 O6 S2 -","2","1","","Ma, Chao; Gu, Jing; Teng, Bin; Zhou, Qing-Qing; Li, Rui; Chen, Ying-Chun","1-azadienes as regio- and chemoselective dienophiles in aminocatalytic asymmetric diels-alder reaction.","Organic letters","2013","15","24","6206","6209","10.1021/ol4030474","","","0.71073","MoKα","","0.0419","0.0374","","","0.0824","0.0858","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1513235","7.3343","0.0002","20.6369","0.0004","7.8664","0.0002","90","","104.127","0.002","90","","1154.63","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 F3 N O11 -","- C21 H26 F3 N O11 -","- C42 H52 F6 N2 O22 -","2","1","","Malik, Michał; Witkowski, Grzegorz; Ceborska, Magdalena; Jarosz, Sławomir","Synthesis of Polyhydroxylated Quinolizidines and Azaspiro[4.5]decanes from d-Xylose.","Organic letters","2013","15","24","6214","6217","10.1021/ol403063v","","","1.54184","CuKα","","0.0284","0.0278","","","0.0743","0.0746","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513239","14.544","0.011","26.44","0.019","25.33","0.03","90","","93.68","0.02","90","","9720","15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H46 B2 S -","- C54 H46 B2 S -","- C432 H368 B16 S8 -","8","4","","Shuto, Ayumi; Kushida, Tomokatsu; Fukushima, Tatsuya; Kaji, Hironori; Yamaguchi, Shigehiro","π-Extended Planarized Triphenylboranes with Thiophene Spacers.","Organic letters","2013","15","24","6234","6237","10.1021/ol403084x","","","0.7107","MoKa","","0.0988","0.088","","","0.2447","0.2571","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513244","11.248","0.005","10.106","0.005","11.44","0.005","90","","104.724","0.011","90","","1257.7","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 Br O5 -","- C28 H31 Br O5 -","- C56 H62 Br2 O10 -","2","1","","Hong, Bor-Cherng; Lin, Cheng-Wei; Liao, Wei-Kai; Lee, Gene-Hsiang","Sequential asymmetric catalysis in Michael-Michael-Michael-aldol reactions: merging organocatalysis with photoredox catalysis in a one-pot enantioselective synthesis of highly functionalized decalines bearing a quaternary carbon stereocenter.","Organic letters","2013","15","24","6258","6261","10.1021/ol403113c","","","0.71073","MoKα","","0.1084","0.0751","","","0.135","0.1475","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513305","7.6657","0.0009","10.1466","0.0012","9.1327","0.0011","90","","111.211","0.002","90","","662.23","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Nie, Li-Yue; Qin, Jiang-Jiang; Huang, Ying; Yan, Lan; Liu, Yu-Bo; Pan, Yue-Xing; Jin, Hui-Zi; Zhang, Wei-Dong","Sesquiterpenoids fromInula lineariifoliaInhibit Nitric Oxide Production","Journal of Natural Products","2010","73","6","1117","1120","10.1021/np100124a","","","0.71073","MoKα","","0.0391","0.0361","","","0.0872","0.0884","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513340","6.0514","0.0001","30.4883","0.0005","9.9339","0.0002","90","","94.478","0.0007","90","","1827.18","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Thiosemicarbazone","","","- C18 H19 N3 O S2 -","- C18 H19 N3 O S2 -","- C72 H76 N12 O4 S8 -","4","2","","Kate, Anup N.; Kumbhar, Anupa A.; Khan, Ayesha A.; Joshi, Pranaya V.; Puranik, Vedavati G.","Monitoring Cellular Uptake and Cytotoxicity of Copper(II) Complex Using a Fluorescent Anthracene Thiosemicarbazone Ligand.","Bioconjugate chemistry","2013","25","1","102","","10.1021/bc400385d","","","0.71073","MoKα","","0.054","0.0477","","","0.1235","0.1289","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513355","11.7016","0.0005","13.6677","0.0006","13.7418","0.0006","90","","108.591","0.001","90","","2083.1","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","2","","Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang","Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.","Journal of natural products","2014","77","2","339","345","10.1021/np400936t","","","1.54178","CuKα","","0.0485","0.0481","","","0.132","0.1327","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513356","5.6773","0.0002","13.9911","0.0005","13.0148","0.0005","90","","95.41","0.002","90","","1029.18","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C44 H68 O10 -","2","1","","Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang","Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.","Journal of natural products","2014","77","2","339","345","10.1021/np400936t","","","1.54178","CuKα","","0.0472","0.0471","","","0.1185","0.1187","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513357","7.6925","0.0007","10.9091","0.0008","10.288","0.0008","90","","90.238","0.005","90","","863.34","0.12","132","2","132","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl N2 O5 -","- C17 H17 Cl N2 O5 -","- C34 H34 Cl2 N4 O10 -","2","1","","Jansen, Rolf; Sood, Sakshi; Huch, Volker; Kunze, Brigitte; Stadler, Marc; Müller, Rolf","Pyrronazols, Metabolites from the Myxobacteria Nannocystis pusilla and N. exedens, Are Unusual Chlorinated Pyrone-Oxazole-Pyrroles.","Journal of natural products","2014","77","2","320","326","10.1021/np400877r","","","0.71073","MoKα","","0.0393","0.0346","","","0.0841","0.0875","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513366","8.0086","0.0001","14.9302","0.0003","15.3044","0.0003","90","","94.648","0.001","90","","1823.93","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H46 Cl2 N4 O6 -","- C39 H46 Cl2 N4 O6 -","- C78 H92 Cl4 N8 O12 -","2","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0724","0.046","","","0.0998","0.1134","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513370","10.5137","0.0004","13.1195","0.0005","15.3947","0.0006","90","","92.885","0.003","90","","2120.77","0.14","131.6","","131.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N O5.5 -","- C23 H32 N O5.5 -","- C92 H128 N4 O22 -","4","2","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.0412","0.0391","","","0.1011","0.1036","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513371","9.9972","0.0008","7.3788","0.0003","15.5846","0.001","90","","103.612","0.007","90","","1117.34","0.13","102.7","","102.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","2","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","1.5418","CuKα","","0.0331","0.0329","","","0.0864","0.0866","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513372","9.9909","0.0003","7.57278","0.00019","13.7572","0.0004","90","","90.46","0.003","90","","1040.82","0.05","101.5","","101.5","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","2","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","1.5418","CuKα","","0.0435","0.0434","","","0.1137","0.1138","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513375","8.1278","0.0002","6.9825","0.0002","16.1268","0.0004","90","","92.741","0.002","90","","914.19","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chao, Chih-Hua; Cheng, Ju-Chien; Shen, De-Yang; Wu, Tian-Shung","Anti-Hepatitis C Virus Dinorditerpenes from the Roots of Flueggea virosa.","Journal of natural products","2014","77","1","22","28","10.1021/np400528h","","x-ray","1.54178","CuKα","","0.0371","0.0366","","","0.103","0.1036","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513394","7.4523","0.0008","5.5812","0.0005","10.725","0.001","90","","104.486","0.005","90","","431.9","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","1","","Alcoberro, Sandra; Gómez-Palomino, Alejandro; Solà, Ricard; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Stereoselective titanium-mediated aldol reactions of a chiral lactate-derived ethyl ketone with ketones.","Organic letters","2014","16","2","584","587","10.1021/ol403461b","","","0.71073","MoKα","","0.0982","0.0542","","","0.1115","0.1284","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513406","5.1476","0.001","24.198","0.005","9.0518","0.0017","90","","90.242","0.004","90","","1127.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H5 N12 O2.5 -","- C7 H5 N12 O2.5 -","- C28 H20 N48 O10 -","4","2","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0731","0.0401","","","0.0712","0.0816","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513414","12.049","0.002","5.323","0.0011","13.632","0.003","90","","114.5","0.03","90","","795.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl O4 -","- C17 H16 Cl O4 -","- C34 H32 Cl2 O8 -","2","1","","Liu, Le; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhICl2 and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds.","Organic letters","2014","16","2","436","439","10.1021/ol403321n","","","0.71073","MoKα","","0.0799","0.0489","","","0.0949","0.119","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513427","15.7825","0.0002","5.8322","0.0001","18.8095","0.0002","90","","113.102","0.001","90","","1592.51","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","2","","Morin, Marie S. T.; Arndtsen, Bruce A.","Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.","Organic letters","2014","16","4","1056","1059","10.1021/ol4035512","","","1.54178","CuKα","","0.0281","0.028","","","0.0722","0.0723","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513428","8.5432","0.0002","16.2125","0.0004","11.468","0.0005","90","","90.352","0.002","90","","1588.36","0.09","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H30 F6 Mn N6 O6 S2 -","- C26 H30 F6 Mn N6 O6 S2 -","- C52 H60 F12 Mn2 N12 O12 S4 -","2","1","","Shen, Duyi; Miao, Chengxia; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Efficient benzylic and aliphatic C-h oxidation with selectivity for methylenic sites catalyzed by a bioinspired manganese complex.","Organic letters","2014","16","4","1108","1111","10.1021/ol4037083","","","0.7107","MoKα","","0.0354","0.0324","","","0.0698","0.0717","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513443","15.6508","0.0006","6.3555","0.0003","24.6704","0.0012","90","","101.826","0.002","90","","2401.85","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2.5 S Si -","- C24 H32 N O2.5 S Si -","- C96 H128 N4 O10 S4 Si4 -","4","2","","Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo","Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues","Organic Letters","2014","16","4","1224","1227","10.1021/ol500142c","","","0.71073","MoKα","","0.042","0.0354","","","0.0969","0.111","","","","","","1.083","","","","has coordinates","218674","2020-10-21","18:00:00",""
"1513447","8.891","0.0003","9.473","0.0002","9.472","0.0003","90","","110.488","0.001","90","","747.31","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Holmquist, Melireth; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Enantioselective addition of nitromethane to 2-acylpyridine N-oxides. Expanding the generation of quaternary stereocenters with the Henry reaction.","Organic letters","2014","16","4","1204","1207","10.1021/ol500082d","","","0.71073","MoKα","","0.091","0.0486","","","0.1125","0.1465","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513457","9.9229","0.0003","10.8841","0.0003","9.9414","0.0003","90","","99.819","0.001","90","","1057.96","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Br N O4 -","- C24 H22 Br N O4 -","- C48 H44 Br2 N2 O8 -","2","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0309","0.0264","","","0.0609","0.0625","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513458","9.4102","0.0003","10.467","0.0004","10.3023","0.0004","90","","98.469","0.001","90","","1003.68","0.06","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C48 H44 F2 N2 O8 -","2","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0378","0.0345","","","0.0866","0.0895","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513462","9.664","0.002","10.003","0.002","14.245","0.003","90","","109.73","0.003","90","","1296.2","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F3 O2 -","- C14 H15 F3 O2 -","- C56 H60 F12 O8 -","4","2","","Yasu, Yusuke; Arai, Yusuke; Tomita, Ren; Koike, Takashi; Akita, Munetaka","Highly Regio- and Diastereoselective Synthesis of CF3-Substituted Lactones via Photoredox-Catalyzed Carbolactonization of Alkenoic Acids.","Organic letters","2014","16","3","780","783","10.1021/ol403500y","","","0.71073","MoKα","","0.0713","0.0485","","","0.1167","0.1238","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513466","13.0277","0.0002","17.4618","0.0003","15.417","0.0003","90","","112.166","0.001","90","","3247.97","0.1","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H82 I2 N4 O Zn -","- C70 H82 I2 N4 O Zn -","- C140 H164 I4 N8 O2 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.0658","0.0627","","","0.1529","0.1571","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513482","10.0332","0.0004","8.471","0.0004","12.9591","0.0006","90","","107.322","0.004","90","","1051.46","0.08","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C42 H42 Br2 N4 O8 -","2","1","","Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters","Organic Letters","2014","16","3","776","779","10.1021/ol403480v","","","0.71073","MoKα","","0.0512","0.0355","","","0.0976","0.1168","","","","","","0.792","","","","has coordinates","218609","2020-10-21","18:00:00",""
"1513491","15.123","0.004","10.409","0.003","15.834","0.004","90","","95.863","0.004","90","","2479.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H47 Br2 N3 O5 -","- C50 H47 Br2 N3 O5 -","- C100 H94 Br4 N6 O10 -","2","1","","Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang","Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction: Highly Efficient Construction of Enantiopure Fully Substituted Tetrahydro-1,2-oxazines.","Organic letters","2014","16","3","752","755","10.1021/ol403463h","","","0.71073","MoKα","","0.1131","0.0607","","","0.1522","0.1799","","","","","","0.987","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513506","8.404","0.0002","10.9966","0.0002","11.7955","0.0004","90","","110.235","0.004","90","","1022.81","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C46 H38 N2 O4 S2 -","2","1","","Qiao, Baokun; Liu, Xinfei; Duan, Shaobo; Yan, Lin; Jiang, Zhiyong","Highly Enantioselective Organocatalytic α-Sulfenylation of Azlactones.","Organic letters","2014","16","3","672","675","10.1021/ol403303k","","","1.5418","CuKα","","0.0393","0.0365","","","0.0959","0.0987","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513507","9.0174","0.0007","9.9046","0.0009","14.5441","0.0012","90","","97.245","0.007","90","","1288.62","0.19","295.96","0.1","295.96","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","2","","Zhang, Gen; Ma, Yunxia; Cheng, Guangbin; Liu, Dabin; Wang, Rui","A Unique Combined Source of ""CN"" from 1,2-Dichloroethane and TMSN3 in the Copper-Catalyzed Cyanation of a C(sp(3))-H Bond Adjacent to a Nitrogen Atom.","Organic letters","2014","16","3","656","659","10.1021/ol500045p","","","0.7107","MoKα","","0.0884","0.0539","","","0.1158","0.1383","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513509","11.5559","0.0016","6.328","0.0009","13.4204","0.0018","90","","96.817","0.003","90","","974.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C42 H38 Br2 O8 -","2","1","","Hao, Xiaoyu; Liu, Xiaohua; Li, Wei; Tan, Fei; Chu, Yangyang; Zhao, Xiaohu; Lin, Lili; Feng, Xiaoming","Chiral Lewis acid catalyzed asymmetric cycloadditions of disubstituted ketenes for the synthesis of β-lactones and δ-lactones.","Organic letters","2014","16","1","134","137","10.1021/ol4031217","","","0.71073","MoKα","","0.0596","0.0473","","","0.1255","0.1317","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513510","10.535","0.006","8.839","0.005","11.434","0.006","90","","93.082","0.01","90","","1063.2","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Hao, Xiaoyu; Liu, Xiaohua; Li, Wei; Tan, Fei; Chu, Yangyang; Zhao, Xiaohu; Lin, Lili; Feng, Xiaoming","Chiral Lewis acid catalyzed asymmetric cycloadditions of disubstituted ketenes for the synthesis of β-lactones and δ-lactones.","Organic letters","2014","16","1","134","137","10.1021/ol4031217","","","0.71073","MoKα","","0.1135","0.0556","","","0.1408","0.1708","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513513","9.122","0.002","16.331","0.004","12.941","0.003","90","","108.021","0.004","90","","1833.3","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H39 N3 O12 -","- C39 H39 N3 O12 -","- C78 H78 N6 O24 -","2","1","","Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Porous organic material from discotic tricarboxyamide: side chain-core interactions.","Organic letters","2014","16","1","38","41","10.1021/ol402865t","","","0.71073","MoKα","","0.0918","0.0477","","","0.0939","0.1094","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513516","10.2195","0.0005","4.7644","0.0003","13.9604","0.0008","90","","107.933","0.003","90","","646.71","0.06","222","","222","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0407","0.0383","","0.0967","0.0943","0.0967","","","","","","1.0015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513517","10.1746","0.0008","4.7518","0.0004","13.9532","0.001","90","","107.731","0.004","90","","642.56","0.09","200","","200","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0474","0.0372","","0.1004","0.0923","0.1004","","","","","","1.0113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513532","7.8564","0.0002","10.2682","0.0003","10.0915","0.0003","90","","103.955","0.001","90","","790.06","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C32 H46 N2 O8 S2 -","2","1","","Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.","Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.","Organic letters","2014","16","1","74","77","10.1021/ol403035g","","","1.54178","CuKα","","0.0231","0.0231","","","0.0592","0.0592","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513535","9.563","0.003","9.128","0.003","10.913","0.004","90","","92.657","0.007","90","","951.6","0.6","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","PheBK","ethyl 4-(tert-butoxycarbonylamino)-3-oxo-5-phenylpentanoate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1748","0.0799","","","0.2006","0.244","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513536","13.863","0.015","5.14","0.005","13.888","0.016","90","","107.36","0.02","90","","944.5","1.8","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-gF(b-OH)-OEt","(3R,4S)-ethyl 4-((tert-butoxycarbonyl)amino)-3-hydroxy-5-phenylpentanoate","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C36 H54 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1083","0.0602","","","0.1517","0.1791","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513538","10.544","0.0008","9.6062","0.0008","21.5794","0.0016","90","","100.859","0.002","90","","2146.6","0.3","100","2","100","2","","","101.325","","","","Syntehsis","4","P 1 21 1","P 2yb","4","Tetra hybrid peptide","Boc-U-(R,S)F-U-(R,S)F-OEt","","- C38 H60 N4 O13 -","- C38 H60 N4 O13 -","- C76 H120 N8 O26 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.0663","0.0548","","","0.1503","0.1583","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513539","10.62159","0.00013","7.29245","0.0001","19.6083","0.0002","90","","98.1569","0.0011","90","","1503.44","0.03","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O -","- C16 H21 Br O -","- C64 H84 Br4 O4 -","4","2","","Germain, Nicolas; Guénée, Laure; Mauduit, Marc; Alexakis, Alexandre","Asymmetric conjugate addition to α-substituted enones/enolate trapping.","Organic letters","2014","16","1","118","121","10.1021/ol403104s","","","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0705","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513544","14.824","0.003","11.994","0.003","17.503","0.004","90","","90.27","0.003","90","","3112","1.2","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 S Si -","- C29 H45 N O4 S Si -","- C116 H180 N4 O16 S4 Si4 -","4","2","","Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao","Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.","Organic letters","2014","16","1","318","321","10.1021/ol403388w","","","0.71073","MoKα","","0.2318","0.0883","","","0.1645","0.2266","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513545","5.8785","0.0017","18.843","0.005","9.875","0.003","90","","95.496","0.014","90","","1088.8","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H28 Br N O4 S -","- C18 H28 Br N O4 S -","- C36 H56 Br2 N2 O8 S2 -","2","1","","Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao","Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.","Organic letters","2014","16","1","318","321","10.1021/ol403388w","","","0.71073","MoKα","","0.108","0.0591","","","0.1316","0.1513","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513554","5.717","0.0011","7.812","0.0016","12.901","0.003","90","","93.75","0.03","90","","574.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C30 H24 O4 -","2","1","","Wang, Haining; Dong, Ben; Wang, Yang; Li, Jingfu; Shi, Yian","A palladium-catalyzed regioselective hydroesterification of alkenylphenols to lactones with phenyl formate as CO source.","Organic letters","2014","16","1","186","189","10.1021/ol403171p","","","0.71073","MoKα","","0.0651","0.0471","","","0.106","0.115","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513615","12.8807","0.0005","26.5173","0.0009","16.1073","0.0006","90","","105.997","0.004","90","","5288.6","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H45 K Mg N2 -","- C22 H45 K Mg N2 -","- C132 H270 K6 Mg6 N12 -","6","3","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.0729","0.0468","","","0.0923","0.0975","","","","","","0.805","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513663","11.5779","0.0007","23.3582","0.0015","15.6591","0.001","90","","101.95","0.002","90","","4143.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H116 Fe2 N10 O -","- C96 H116 Fe2 N10 O -","- C192 H232 Fe4 N20 O2 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0428","0.0393","","","0.1041","0.1083","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513712","18.0913","0.0018","7.5678","0.0008","22.361","0.002","90","","93.183","0.005","90","","3056.8","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Zhang, Qi; Nguyen, Hien M.","Rhodium-catalyzed regioselective opening of vinyl epoxides with Et3N·3HF reagent ‒ formation of allylic fluorohydrins","Chemical Science","2014","5","1","291","","10.1039/c3sc51949j","","","0.71073","MoKα","","0.0602","0.0353","","","0.0762","0.0856","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513749","8.4099","0.0002","5.3783","0.0002","23.8999","0.0007","90","","100.092","0.002","90","","1064.29","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","2004uv02cj02b","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.54178","CuKα","","0.0488","0.0479","","","0.1207","0.1222","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513750","7.821","0.0005","5.916","0.0003","22.9298","0.0012","90","","94.223","0.004","90","","1058.06","0.1","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0574","0.0502","","","0.1324","0.1391","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513754","7.5041","0.0004","5.1979","0.0003","24.164","0.0013","90","","92.664","0.003","90","","941.51","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N3 O4 -","- C21 H22 N3 O4 -","- C42 H44 N6 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.051","0.0497","","","0.1262","0.1271","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513769","9.837","0.0007","9.5017","0.0006","10.7087","0.0008","90","","107.165","0.008","90","","956.34","0.12","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Parrott, Edward P. J.; Tan, Nicholas Y.; Hu, Rongrong; Zeitler, J. Axel; Tang, Ben Zhong; Pickwell-MacPherson, Emma","Direct evidence to support the restriction of intramolecular rotation hypothesis for the mechanism of aggregation-induced emission: temperature resolved terahertz spectra of tetraphenylethene","Materials Horizons","2014","1","2","251","","10.1039/c3mh00078h","","x-ray","1.5418","CuKα","","0.0523","0.0486","","","0.1273","0.132","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513787","11.0525","0.0017","27.518","0.004","11.4121","0.0017","90","","94.477","0.003","90","","3460.3","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C138 H138 N18 O36 S6 -","6","3","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.039","0.0377","","","0.0993","0.1009","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513798","5.6548","0.0014","27.587","0.007","8.526","0.002","90","","95.291","0.005","90","","1324.4","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0387","0.0344","","","0.0895","0.0921","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513803","14.115","0.012","18.546","0.016","28.97","0.03","90","","102.032","0.009","90","","7417","12","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H68 N4 O37.63 S4 -","- C64 H68 N4 O37.625 S4 -","- C256 H272 N16 O150.5 S16 -","4","2","","Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu","Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.","The journal of physical chemistry. B","2014","118","9","2433","2441","10.1021/jp4110008","","","0.71075","MoKα","","0.1432","0.092","","","0.2105","0.2501","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513820","7.618","0.005","8.981","0.005","18.678","0.012","90","","93.644","0.01","90","","1275.3","1.4","373","2","373","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","","Zhang, Dewu; Ge, Hanlin; Zou, Jian-Hua; Tao, Xiaoyu; Chen, Ridao; Dai, Jungui","Periconianone A, a New 6/6/6 Carbocyclic Sesquiterpenoid from Endophytic Fungus Periconia sp. with Neural Anti-inflammatory Activity.","Organic letters","2014","16","5","1410","1413","10.1021/ol500197x","","","1.54178","CuKα","","0.0422","0.0414","","","0.101","0.1021","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513822","10.0375","0.001","41.669","0.003","10.5117","0.0009","90","","110.473","0.004","90","","4118.8","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H37 N7 O10 -","- C46 H37 N7 O10 -","- C184 H148 N28 O40 -","4","2","","Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel","Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites","Organic Letters","2014","16","5","1302","1305","10.1021/ol403643d","","","0.71075","MoKα","","","0.0503","","","","0.1151","","","","","","1.072","","","","has coordinates","218602","2020-10-21","18:00:00",""
"1513831","15.6616","0.0006","36.288","0.0012","19.8167","0.0007","90","","93.443","0.002","90","","11242.1","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H38 I N O5 Si2 -","- C23 H38 I N O5 Si2 -","- C368 H608 I16 N16 O80 Si32 -","16","8","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.1305","0.0744","","","0.1857","0.2164","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513860","8.802","0.0007","10.1477","0.0008","10.3699","0.0008","90","","114.98","0.002","90","","839.6","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O2 P -","- C18 H23 O2 P -","- C36 H46 O4 P2 -","2","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0461","0.0328","","","0.0737","0.0795","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513874","11.779","0.0013","17.451","0.002","13.849","0.0016","90","","110.544","0.004","90","","2665.7","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H83 O7 P -","- C56 H83 O7 P -","- C112 H166 O14 P2 -","2","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0624","0.0524","","","0.0955","0.0999","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513921","10.649","0.008","19.364","0.014","22.911","0.016","90","","100.61","0.03","90","","4644","6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Leu-(R)Gamma Val]5-OMe","t-Butyloxycarbonyl-[leucyl-R-Gamma-valyl]5-methyl ester","","- C73 H132 N10 O17 -","- C73 H132 N10 O17 -","- C146 H264 N20 O34 -","2","1","","Sonti, Rajesh; Dinesh, Bhimareddy; Basuroy, Krishnayan; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","C12 Helices in Long Hybrid (αγ)n Peptides Composed Entirely of Unconstrained Residues with Proteinogenic Side Chains.","Organic letters","2014","16","6","1656","1659","10.1021/ol500307p","","","0.71073","MoKα","","0.4246","0.1178","","","0.2571","0.4086","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513946","8.2102","0.001","7.2353","0.0009","29.835","0.004","90","","90.168","0.002","90","","1772.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N4 O4 -","- C18 H17 Cl N4 O4 -","- C72 H68 Cl4 N16 O16 -","4","2","","Yin, Qin; You, Shu-Li","Asymmetric Chlorination/Ring Expansion for the Synthesis of α-Quaternary Cycloalkanones.","Organic letters","2014","16","6","1810","1813","10.1021/ol5005565","","","0.71073","MoKα","","0.0591","0.0533","","","0.1413","0.148","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514123","13.1315","0.0003","9.8741","0.0002","13.7239","0.0004","90","","103.615","0.001","90","","1729.46","0.07","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H58 Fe P2 -","- C38 H58 Fe P2 -","- C76 H116 Fe2 P4 -","2","1","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0693","0.0541","","","0.1224","0.1297","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514124","13.2558","0.0002","9.2386","0.0001","13.4456","0.0002","90","","99.992","0.001","90","","1621.64","0.04","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H46 Fe P2 -","- C38 H46 Fe P2 -","- C76 H92 Fe2 P4 -","2","1","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0811","0.0583","","","0.1216","0.1324","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514138","6.6348","0.0009","11.6431","0.0015","10.7797","0.0014","90","","99.155","0.008","90","","822.12","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C36 H34 Cl2 O8 -","2","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0775","0.0407","","","0.0785","0.0906","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514170","14.8427","0.0015","12.9239","0.0008","15.4124","0.0014","90","","118.131","0.012","90","","2607.2","0.5","98.3","","98.3","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","2","","Xia, Hong-Min; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Chen, Xiao-Guang; Zhang, Dan; Li, Li; Zhang, Dong-Ming","A,D-seco-Limonoids from the Stems of Clausena emarginata.","Journal of natural products","2014","77","4","784","791","10.1021/np400797s","","","1.5418","CuKα","","0.0497","0.0488","","","0.1331","0.1341","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514172","9.6443","0.0006","4.7764","0.0003","11.5683","0.0007","90","","94.929","0.005","90","","530.92","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Cl O4 -","- C9 H13 Cl O4 -","- C18 H26 Cl2 O8 -","2","1","","Chang, Ya-Chih; Lu, Chung-Kuang; Chiang, Yin-Ru; Wang, Guei-Jane; Ju, Yu-Ming; Kuo, Yueh-Hsiung; Lee, Tzong-Huei","Diterpene Glycosides and Polyketides from Xylotumulus gibbisporus.","Journal of natural products","2014","77","4","751","757","10.1021/np400523k","","","1.54178","CuKα","","0.0544","0.0523","","","0.1409","0.146","","","","","","1.227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514173","10.8732","0.0008","6.6552","0.0005","12.7886","0.001","90","","105.053","0.006","90","","893.67","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Bautista, Elihú; Toscano, Rubén A; Ortega, Alfredo","5,10-seco-neo-Clerodanes and neo-Clerodanes from Salvia microphylla.","Journal of natural products","2014","77","4","1088","1092","10.1021/np4009893","","","0.71073","MoKα","","0.0507","0.0429","","","0.105","0.1092","","","","","","0.961","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514180","6.9978","0.0003","11.1764","0.0005","20.4376","0.0009","90","","98.054","0.002","90","","1582.66","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O5 -","- C34 H52 O5 -","- C68 H104 O10 -","2","1","","Peng, Xing-Rong; Liu, Jie-Qing; Wang, Cui-Fang; Li, Xu-Yang; Shu, Yi; Zhou, Lin; Qiu, Ming-Hua","Hepatoprotective Effects of Triterpenoids from Ganoderma cochlear.","Journal of natural products","2014","77","4","737","743","10.1021/np400323u","","","1.54178","CuKα","","0.0416","0.041","","","0.1177","0.1186","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514210","11.0231","0.0016","6.0412","0.0008","17.742","0.003","90","","106.574","0.005","90","","1132.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Br N2 O2 -","- C24 H31 Br N2 O2 -","- C48 H62 Br2 N4 O4 -","2","1","","Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane.","Organic letters","2014","16","8","2134","2137","10.1021/ol5005609","","","0.71073","MoKα","","0.062","0.0473","","","0.1097","0.115","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514211","15.553","0.005","9.326","0.005","32.444","0.005","90","","94.255","0.005","90","","4693","3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O5 -","- C23 H35 N O5 -","- C184 H280 N8 O40 -","8","4","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","x-ray","0.71073","MoKα","","0.0982","0.0669","","","0.1643","0.1808","","","","","","1.068","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1514214","9.2339","0.0008","11.8223","0.0011","17.1508","0.0015","90","","98.572","0.002","90","","1851.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 F3 N O7 -","- C14 H20 F3 N O7 -","- C56 H80 F12 N4 O28 -","4","2","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","","0.71073","MoKα","","0.1921","0.0601","","","0.0964","0.1313","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514220","12.6698","0.0006","5.9884","0.0004","12.7916","0.0008","90","","112.067","0.002","90","","899.43","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","APE3","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C34 H34 Br2 N4 O8 S2 -","2","1","","Pascual-Escudero, Ana; González-Esguevillas, María; Padilla, Silvia; Adrio, Javier; Carretero, Juan C","Enantioselective Synthesis of α-Heteroarylpyrrolidines by Copper-Catalyzed 1,3-Dipolar Cycloaddition of α-Silylimines.","Organic letters","2014","16","8","2228","2231","10.1021/ol5007373","","","0.71073","","","0.0335","0.0277","","","0.0768","0.1","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514221","6.0087","0.0004","17.4567","0.0009","15.2518","0.0012","90","","91.114","0.002","90","","1599.49","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","APE2","","","- C17 H14 Br N3 O2 -","- C17 H14 Br N3 O2 -","- C68 H56 Br4 N12 O8 -","4","2","","Pascual-Escudero, Ana; González-Esguevillas, María; Padilla, Silvia; Adrio, Javier; Carretero, Juan C","Enantioselective Synthesis of α-Heteroarylpyrrolidines by Copper-Catalyzed 1,3-Dipolar Cycloaddition of α-Silylimines.","Organic letters","2014","16","8","2228","2231","10.1021/ol5007373","","","0.71073","","","0.1224","0.0541","","","0.1331","0.183","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514273","12.669","0.004","12.248","0.004","31.45","0.01","90","","90.014","0.006","90","","4880","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","palladium(II)carbene","","","- C55 H55 Cl2 N2 P Pd -","- C55 H55 Cl2 N2 P Pd -","- C220 H220 Cl8 N8 P4 Pd4 -","4","2","","Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M.","Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media","Catalysis Science & Technology","2014","4","5","1456","","10.1039/c4cy00192c","","","0.71073","MoKα","","0.0823","0.0767","","","0.1611","0.1644","","","","","","1.288","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514275","10.7577","0.0011","13.0244","0.0013","25.943","0.003","90","","90.884","0.002","90","","3634.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H72 Mo N6 O8 P4 -","- C82 H72 Mo N6 O8 P4 -","- C164 H144 Mo2 N12 O16 P8 -","2","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0373","0.0355","","","0.091","0.0918","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514285","7.7976","0.0002","13.3596","0.0004","15.247","0.0004","90","","93.639","0.002","90","","1585.12","0.08","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H30 Cl N O2 Pt S -","- C40 H30 Cl N O2 Pt S -","- C80 H60 Cl2 N2 O4 Pt2 S2 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0641","0.0418","","","0.079","0.0826","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514286","7.5661","0.0002","12.3042","0.0003","7.9592","0.0003","90","","105.511","0.003","90","","713.97","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0398","0.0319","","","0.0677","0.0695","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514292","11.1925","0.0012","8.1206","0.0009","21.465","0.002","90","","101.402","0.003","90","","1912.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C80 H76 Cl4 N8 O16 -","4","2","","Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang","Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation","Chemical Science","2014","5","5","1988","","10.1039/c3sc53314j","","","0.71073","MoKα","","0.044","0.0381","","","0.1157","0.1229","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514294","5.7359","0.0002","17.005","0.0004","9.7453","0.0007","90","","102.621","0.007","90","","927.58","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N O2 S -","- C19 H22 F3 N O2 S -","- C38 H44 F6 N2 O4 S2 -","2","1","","Buesking, Andrew W.; Ellman, Jonathan A.","Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls","Chemical Science","2014","5","5","1983","","10.1039/c4sc00084f","","","1.54178","CuKα","","0.0399","0.0377","","","0.0917","0.0926","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514297","9.7989","0.0016","9.7523","0.0016","22.829","0.004","90","","90.326","0.002","90","","2181.5","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0894","0.0639","","","0.1289","0.1384","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514300","10.3326","0.0005","6.3617","0.0003","14.1521","0.0007","90","","96.731","0.002","90","","923.85","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker","Organocatalytic [4+2] addition reactions via tetraenamine intermediate","Chemical Science","2014","5","5","2052","","10.1039/c4sc00081a","","","0.56086","AgKα","","0.0384","0.0344","","","0.0754","0.0774","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514344","6.05","0.003","33.448","0.015","8.747","0.004","90","","95.376","0.014","90","","1762.3","1.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","2","","Smith, Siobhan R.; Leckie, Stuart M.; Holmes, Reuben; Douglas, James; Fallan, Charlene; Shapland, Peter; Pryde, David; Slawin, Alexandra M. Z.; Smith, Andrew D.","α-Ketophosphonates as Ester Surrogates: Isothiourea-Catalyzed Asymmetric Diester and Lactone Synthesis.","Organic letters","2014","16","9","2506","2509","10.1021/ol500873s","","","0.71075","MoKα","","","0.1074","","","","0.2924","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514347","8.7575","0.0007","22.141","0.0017","10.8356","0.0009","90","","91.285","0.002","90","","2100.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","2","","Yin, Qin; You, Shu-Li","Asymmetric Chlorocyclization of Indole-3-yl-benzamides for the Construction of Fused Indolines.","Organic letters","2014","16","9","2426","2429","10.1021/ol5007532","","","0.71073","MoKα","","0.0479","0.0385","","","0.091","0.0964","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514354","9.3216","0.0004","13.2025","0.0006","13.8291","0.0006","90","","107.968","0.001","90","","1618.92","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C72 H108 O10 -","2","1","","Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang","New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.","Organic letters","2014","16","9","2434","2437","10.1021/ol500808p","","","1.54178","CuKα","","0.0679","0.0678","","","0.1822","0.1827","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514363","9.6584","0.0004","19.8105","0.0008","11.0401","0.0006","90","","109.791","0.002","90","","1987.62","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 N6 O8 -","- C37 H55 N6 O8 -","- C74 H110 N12 O16 -","2","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.0543","0.0479","","","0.1263","0.1321","","","","","","0.995","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514429","11.8419","0.0003","6.5568","0.0001","20.7441","0.0004","90","","102.819","0.001","90","","1570.53","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","2","","Lathrop, Stephen P.; Rovis, Tomislav","A photoisomerization-coupled asymmetric Stetter reaction: application to the total synthesis of three diastereomers of (-)-cephalimysin A.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1668","","10.1039/C3SC22292F","","","0.71073","MoKα","","0.075","0.0497","","","0.1177","0.1254","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514494","14.0101","0.0006","15.7187","0.0007","19.934","0.0008","90","","97.6912","0.0005","90","","4350.4","0.3","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","{[ONOcat]Fe(py)}2","","- C45 H58 Fe N5 O2 -","- C45 H58 Fe N5 O2 -","- C180 H232 Fe4 N20 O8 -","4","2","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0426","0.0354","","","0.0841","0.0877","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514510","16.5029","0.0002","7.0004","0.0001","17.5337","0.0002","90","","103.817","0.001","90","","1967","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O6 -","- C23 H21 N O6 -","- C92 H84 N4 O24 -","4","2","","Corbett, Michael T.; Johnson, Jeffrey S.","Enantioselective synthesis of hindered cyclic dialkyl ethers via catalytic oxa-Michael/Michael desymmetrization.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2828","2832","10.1039/C3SC51022K","","","1.54178","CuKα","","0.0304","0.0294","","","0.0744","0.0754","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514523","8.3357","0.0013","11.294","0.002","9.9646","0.0017","90","","103.551","0.008","90","","912","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C38 H50 N2 O8 -","2","1","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0494","0.0467","","","0.1226","0.1261","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514524","7.3372","0.0007","22.647","0.003","20.618","0.002","90","","90.112","0.006","90","","3426","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0517","0.0452","","","0.1139","0.1191","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514525","9.0939","0.0016","30.695","0.005","9.139","0.0016","90","","94.405","0.005","90","","2543.5","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0294","0.0294","","","0.0759","0.0759","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514538","11.2356","0.0002","11.9742","0.0003","24.8296","0.0006","90","","93.447","0.001","90","","3334.46","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H57 Cl O5 -","- C34.5 H57 Cl O5 -","- C138 H228 Cl4 O20 -","4","2","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0514","0.0503","","","0.1435","0.1446","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514555","14.199","0.004","14.985","0.005","14.939","0.005","90","","103.184","0.005","90","","3094.8","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H106 B2 Fe2 O P6 -","- C54 H106 B2 Fe2 O P6 -","- C108 H212 B4 Fe4 O2 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1702","0.0933","","","0.1635","0.1769","","","","","","1.533","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514577","13.8131","0.0006","9.7933","0.0005","18.8547","0.0009","90","","91.597","0.001","90","","2549.6","0.2","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 P4 Se8 U -","- C48 H40 P4 Se8 U -","- C96 H80 P8 Se16 U2 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0276","0.0226","","","0.0463","0.0474","","","","","","0.659","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514578","13.8899","0.0019","9.9688","0.0014","18.862","0.003","90","","91.609","0.002","90","","2610.7","0.7","141","2","141","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 Np P4 Se8 -","- C48 H40 Np P4 Se8 -","- C96 H80 Np2 P8 Se16 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.077","0.0414","","","0.0622","0.0704","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514607","4.92063","0.0001","15.6607","0.0004","10.4554","0.0003","90","","99.6328","0.0014","90","","794.34","0.03","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru","Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations","Chemical Science","2013","4","3","1111","","10.1039/c2sc22045h","","","1.54187","CuKα","","","0.0337","","","","0.0951","","","","","","0.487","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514628","8.6436","0.0003","12.2137","0.0004","10.588","0.0003","90","","100.721","0.002","90","","1098.27","0.06","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C52 H46 N2 O6 S2 -","2","1","","Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio","Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes","Chemical Science","2013","4","12","4499","","10.1039/c3sc52379a","","","1.54187","CuKα","","0.0844","0.0592","","","0.1455","0.1877","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514645","11.663","0.004","5.822","0.002","21.566","0.008","90","","100.89","0.02","90","","1438","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H27 Br F3 N O8 S -","- C28 H27 Br F3 N O8 S -","- C56 H54 Br2 F6 N2 O16 S2 -","2","1","","Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping","Enantioselective intermolecular bromoesterification of allylic sulfonamides","Chemical Science","2013","4","6","2652","","10.1039/c3sc50446h","","","1.54178","CuKα","","0.026","0.0258","","","0.0645","0.0646","","","","","","1.07","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1514650","21.267","0.002","11.483","0.0013","26.049","0.003","90","","111.875","0.002","90","","5903.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H95 Fe N10 O6 -","- C54 H83 Fe N10 O6 -","- C216 H332 Fe4 N40 O24 -","4","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.1395","0.0846","","","0.2127","0.2525","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514701","9.4884","0.0004","7.3139","0.0003","12.2804","0.0006","90","","105.801","0.002","90","","820.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-((1R,3S)-3-Methoxycyclohexyl)-5-phenylimidazolidine-2,4-dione","","- C16 H20 N2 O3.33 -","- C16 H20 N2 O3.33 -","- C32 H40 N4 O6.66 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0275","0.0269","","","0.0688","0.0694","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514702","10.7474","0.0007","7.1883","0.0005","12.3435","0.0008","90","","112.278","0.002","90","","882.42","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","compound (S,R,S)-7","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0251","0.025","","","0.0662","0.0664","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514708","7.89","0.03","5.6","0.02","16.51","0.06","90","","102.65","0.07","90","","712","5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 F5 N O3 -","- C15 H8 F5 N O3 -","- C30 H16 F10 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1561","","","","0.43","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514711","12.1824","0.0008","7.56","0.0004","12.3739","0.0006","90","","106.815","0.006","90","","1090.9","0.11","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.061","0.0444","","","0.1024","0.1145","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514736","10.37","0.0003","18.852","0.0008","12.632","0.0005","90","","113.607","0.002","90","","2262.83","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H71 N2 O4 Si Sr -","- C46 H71 N2 O4 Si Sr -","- C92 H142 N4 O8 Si2 Sr2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.109","0.064","","","0.1119","0.1238","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514743","11.822","0.003","47.948","0.009","12.119","0.003","90","","104.545","0.006","90","","6649","3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F3 O2 -","- C18 H12 Br F3 O2 -","- C288 H192 Br16 F48 O32 -","16","8","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71073","MoKα","","0.1084","0.0638","","","0.1433","0.1668","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514744","6.039","0.005","27.449","0.018","11.299","0.008","90","","104.404","0.013","90","","1814","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 O2 -","- C22 H19 F3 O2 -","- C88 H76 F12 O8 -","4","2","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","1.54178","CuKα","","0.1492","0.1131","","","0.2972","0.3357","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514764","11.8286","0.0002","25.5279","0.0004","14.3047","0.0002","90","","111.974","0.0008","90","","4005.65","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 1 21 1","P 2yb","4","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1'-binaphthalene)rhodium) ((R,R)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C96 H76 B Cl8 O4 P2 Rh -","- C96 H76 B Cl8 O4 P2 Rh -","- C192 H152 B2 Cl16 O8 P4 Rh2 -","2","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0751","0.0432","","0.0814","0.0464","0.0464","","","","","","1.1097","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514778","12.8803","0.0007","10.3954","0.0006","16.5478","0.0009","90","","90.063","0.001","90","","2215.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H50 N4 O14 S -","- C45 H50 N4 O14 S -","- C90 H100 N8 O28 S2 -","2","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0311","0.0301","","","0.0833","0.0843","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514779","11.6928","0.0007","11.2669","0.0006","20.6483","0.0011","90","","96.676","0.001","90","","2701.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 N5 O6 S2 -","- C29 H21 N5 O6 S2 -","- C116 H84 N20 O24 S8 -","4","2","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0512","0.0465","","","0.1452","0.1496","","","","","","1.231","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514801","9.3736","0.001","15.178","0.0011","10.1053","0.0009","90","","107.302","0.004","90","","1372.7","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl3 N O6 Pd S -","- C24 H28 Cl3 N O6 Pd S -","- C48 H56 Cl6 N2 O12 Pd2 S2 -","2","1","","Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro","Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts","Chemical Science","2013","4","9","3753","","10.1039/c3sc51206a","","","0.7107","MoKα","","0.0289","0.0261","","","0.0686","0.0696","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514815","11.3194","0.0006","5.7682","0.0003","14.8959","0.0008","90","","94.364","0.004","90","","969.77","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 Fe N3 -","- C25 H21 Fe N3 -","- C50 H42 Fe2 N6 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","1.54178","CuKα","","0.0829","0.0666","","","0.1815","0.1999","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514830","7.151","0.0008","29.386","0.003","9.6851","0.001","90","","100.773","0.002","90","","1999.4","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O4 Si -","- C20 H18 Fe O4 Si -","- C80 H72 Fe4 O16 Si4 -","4","2","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0443","0.0358","","0.091","0.0852","0.091","","","","","","0.9951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514867","13.1176","0.001","5.17328","0.00011","17.1353","0.0012","90","","112.756","0.008","90","","1072.31","0.13","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21.5 H16.5 F6 O6 -","- C21.5 H16.5 F6 O6 -","- C43 H33 F12 O12 -","2","1","","Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa","A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.","Nanoscale","2013","5","4","1298","1300","10.1039/c2nr30880k","","","1.54187","CuKα","","","0.0583","","","","0.1669","","","","","","1.135","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514868","13.308","0.006","5.176","0.003","15.272","0.007","90","","98.749","0.01","90","","1039.7","0.9","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 F6 O6 -","- C18 H14 F6 O6 -","- C36 H28 F12 O12 -","2","1","","Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa","A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.","Nanoscale","2013","5","4","1298","1300","10.1039/c2nr30880k","","","0.71075","MoKα","","","0.1057","","","","0.3487","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514887","11.2993","0.0015","7.8614","0.0011","14.373","0.002","90","","94.716","0.01","90","","1272.4","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H41 N3 O3 -","- C27 H41 N3 O3 -","- C54 H82 N6 O6 -","2","1","","Li, Weina; Tian, Tian; Zhu, Wei; Cui, Jiecheng; Ju, Yong; Li, Guangtao","Metal-free click approach for facile production of main chain poly(bile acid)s","Polymer Chemistry","2013","4","10","3057","","10.1039/c3py00180f","","","0.71073","MoKα","","0.0529","0.0398","","","0.0769","0.082","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514903","12.847","0.003","7.442","0.0015","13.875","0.003","90","","106.04","0.03","90","","1274.9","0.5","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","4","","","- C22 H39 Na O9 S -","- C22 H39 Na O9 S -","- C44 H78 Na2 O18 S2 -","2","1","","Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao","A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities","Soft Matter","2013","9","3","638","","10.1039/c2sm27062e","","","0.71073","MoKα","","0.0567","0.0482","","","0.1092","0.1141","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514906","6.8863","0.0009","10.0489","0.0009","12.7212","0.0013","90","","90.543","0.01","90","","880.26","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Cd N4 O8 S -","- C12 H16 Cd N4 O8 S -","- C24 H32 Cd2 N8 O16 S2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0678","0.0625","","","0.1454","0.1545","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514919","8.3875","0.0006","12.9511","0.0008","13.3838","0.0009","90","","98.248","0.006","90","","1438.81","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","2","","Sen, Supriti; Sarkar, Sandipan; Chattopadhyay, Basab; Moirangthem, Anuradha; Basu, Anupam; Dhara, Koushik; Chattopadhyay, Pabitra","A ratiometric fluorescent chemosensor for iron: discrimination of Fe2+ and Fe3+ and living cell application.","The Analyst","2012","137","14","3335","3342","10.1039/c2an35258c","","","0.71073","MoKα","","0.0458","0.0376","","","0.1129","0.1193","","","","","","0.68","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514946","10.8509","0.0001","9.3445","0.0001","12.7734","0.0002","90","","107.297","0.0015","90","","1236.6","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 F3 N2 O4 -","- C27 H27 F3 N2 O4 -","- C54 H54 F6 N4 O8 -","2","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0369","0.036","","0.0957","0.0946","0.0957","","","","","","0.9957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514956","8.3591","0.001","33.576","0.004","12.1989","0.0015","90","","99.083","0.003","90","","3380.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 F6 N O7 P -","- C30 H48 F6 N O7 P -","- C120 H192 F24 N4 O28 P4 -","4","2","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.052","0.046","","","0.1085","0.1123","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514978","10.1928","0.0005","6.6518","0.0004","12.7044","0.0006","90","","93.098","0.005","90","","860.11","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 2-[(1S,2R,3R,4S)-2-methyl-2,4-dinitro-3- phenylcyclohexyl]acetate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","0.71073","MoKα","","0.0831","0.0608","","","0.1323","0.1457","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514985","11.4194","0.0001","10.9563","0.0001","12.2162","0.0001","90","","104.877","0.001","90","","1477.19","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","RajanBabu 1762","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C56 H70 N2 O14 Si2 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0599","0.0426","","","0.1043","0.1138","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515021","9.0685","0.0004","9.5467","0.0004","10.5065","0.0005","90","","107.563","0.0017","90","","867.19","0.07","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 Br F3 N O3 -","- C17 H15 Br F3 N O3 -","- C34 H30 Br2 F6 N2 O6 -","2","1","","Corbett, Michael T.; Xu, Qihai; Johnson, Jeffrey S.","Trisubstituted 2-Trifluoromethyl Pyrrolidines via Catalytic Asymmetric Michael Addition/Reductive Cyclization.","Organic letters","2014","16","9","2362","2365","10.1021/ol500679w","","","1.54178","CuKα","","0.0178","0.0177","","","0.0462","0.0463","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515040","11.2309","0.0006","23.8183","0.0012","20.3932","0.0011","90","","102.308","0.005","90","","5329.8","0.5","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0811","0.0688","","0.0944","0.0808","0.0756","","","","","","1.0638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515041","11.3478","0.0013","24.0164","0.0016","20.6607","0.0017","90","","102.06","0.009","90","","5506.5","0.9","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Gd6 N11 O54 -","- C69 H93 Cu2 Gd6 N11 O54 -","- C138 H186 Cu4 Gd12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0878","0.0697","","0.0866","0.073","0.0695","","","","","","1.0001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515042","11.259","0.005","24.017","0.005","20.506","0.005","90","","101.793","0.005","90","","5428","3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0765","0.0589","","0.0723","0.0602","0.0576","","","","","","1.0794","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515043","11.36","","24","","20.66","","90","","101.988","0.0001","90","","5509.9","0.002","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 N11 O54 Y6 -","- C69 H93 Cu2 N11 O54 Y6 -","- C138 H186 Cu4 N22 O108 Y12 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.2348","0.1076","","0.1178","0.1011","0.1004","","","","","","1.1358","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515057","19.3772","0.0008","34.3744","0.001","20.7308","0.0007","90","","115.432","0.002","90","","12470.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H0 Co5 O25 -","- C159 Co5 O25 -","- C318 Co10 O50 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.0912","0.0602","","","0.1493","0.1655","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515058","20.6536","0.0003","33.4974","0.0005","20.7926","0.0003","90","","118.619","0.001","90","","12627.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H O24 Zn4 -","- C159 O24 Zn4 -","- C318 O48 Zn8 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.1038","0.0868","","","0.2131","0.2226","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515065","20.126","0.003","18.866","0.003","22.188","0.004","90","","94.783","0.002","90","","8395","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C96 H128 O89 Pb16 -","- C96 H128 O89 Pb16 -","- C192 H256 O178 Pb32 -","2","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0707","0.0588","","","0.1516","0.1613","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515082","10.149","0.0001","11.5785","0.0001","19.7361","0.0001","90","","93.295","0.001","90","","2315.36","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26.5 H22 Cl3 N O3 -","- C26.5 H22 Cl3 N O3 -","- C106 H88 Cl12 N4 O12 -","4","2","","Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio","Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols","Chemical Science","2012","3","10","2949","","10.1039/c2sc20590d","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0805","0.0816","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515102","12.1931","0.0013","13.7529","0.0015","18.886","0.002","90","","91.471","0.001","90","","3166","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl2 Cr F6 N10 P -","- C70 H58 Cl2 Cr F6 N10 P -","- C140 H116 Cl4 Cr2 F12 N20 P2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0831","0.0436","","","0.1078","0.1404","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515106","12.646","0.005","13.785","0.006","18.779","0.008","90","","90.702","0.005","90","","3273","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H52 F6 I2 N8 P Rh -","- C66 H52 F6 I2 N8 P Rh -","- C132 H104 F12 I4 N16 P2 Rh2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1692","0.1127","","","0.2865","0.3143","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515128","10.2991","0.0007","19.4178","0.0012","13.0747","0.0009","90","","101.982","0.004","90","","2557.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ti(Me)(NAr)3{Li(py)}3","","- C52 H69 Li3 N6 Ti -","- C52 H69 Li3 N6 Ti -","- C104 H138 Li6 N12 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1163","0.0708","","0.0841","0.0535","0.0493","","","","","","1.1051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515173","17.7436","0.0014","5.5873","0.0003","22.281","0.002","90","","105.469","0.003","90","","2128.9","0.3","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H50 F O9 P -","- C49 H46 F O9 P -","- C98 H92 F2 O18 P2 -","2","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0575","","","","0.0621","","","","","","1.11","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515224","9.957","0.002","21.918","0.005","15.524","0.003","90","","104.837","0.003","90","","3275","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H75 N3 O17 Rh2 -","- C68 H75 N3 O17 Rh2 -","- C136 H150 N6 O34 Rh4 -","2","1","","Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.","Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1589","1593","10.1039/C2SC01134D","","","0.71073","MoKα","","0.0933","0.0589","","","0.0987","0.1095","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515227","7.0453","0.0003","24.2072","0.0008","9.1599","0.0004","90","","109.031","0.003","90","","1476.81","0.11","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe N2 O4 P -","- C34 H31 Fe N2 O4 P -","- C68 H62 Fe2 N4 O8 P2 -","2","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.057","0.0576","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515252","10.3431","0.0004","9.0814","0.0004","10.9394","0.0004","90","","102.94","0.002","90","","1001.44","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C46 H40 Cl2 N2 O4 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0279","0.0268","","","0.0625","0.0631","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515253","11.9219","0.0004","12.6553","0.0004","13.531","0.0004","90","","106.461","0.002","90","","1957.82","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","jn203b","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C92 H80 Cl4 N4 O8 S4 -","4","2","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0426","0.0343","","","0.0778","0.0819","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515276","6.8516","0.0004","26.1435","0.0015","12.6653","0.0007","90","","102.975","0.003","90","","2210.7","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C48 H140 N12 O60 S4 -","2","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0524","0.0437","","","0.1022","0.106","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515292","11.5473","0.0002","18.9633","0.0003","16.926","0.0003","90","","98.798","0.002","90","","3662.76","0.11","130","2","130.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H35 Ag O3 P2 -","- C43 H35 Ag O3 P2 -","- C172 H140 Ag4 O12 P8 -","4","2","","Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Poyraz, M.; Kubicki, M.; Charalabopoulos, K.; Hadjikakou, S. K.","Mixed ligand-silver(I) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis.","Metallomics : integrated biometal science","2012","4","6","545","560","10.1039/c2mt20039b","","","1.5418","CuKα","","0.0911","0.0862","","","0.2447","0.2486","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515318","9.569","0.0019","17.605","0.004","10.472","0.002","90","","114.97","0.03","90","","1599.2","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl2 N4 O4 Zn -","- C35 H34 Cl2 N4 O4 Zn -","- C70 H68 Cl4 N8 O8 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.71073","MoKα","","0.0283","0.0277","","","0.0752","0.0758","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515325","6.7598","0.0004","6.7421","0.0002","15.7289","0.0005","90","","93.646","0.004","90","","715.4","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O -","- C18 H23 N O -","- C36 H46 N2 O2 -","2","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0405","0.0369","","","0.0986","0.1005","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515332","11.3513","0.0019","5.7944","0.001","11.73","0.002","90","","117.303","0.006","90","","685.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","","Rossegger, Elisabeth; Oláh, László; Fischer, Roland; Kaschnitz, Petra; Varga, Olívia; Kállay, Mihály; Scheipl, Gregor; Stelzer, Franz; Wiesbrock, Frank","Synthesis of a poly(2-azanorbornene) with a high degree of cis-TT-stereoregularity and a regular secondary solution structure","Polymer Chemistry","2012","3","10","2760","","10.1039/c2py20219k","","","0.71073","MoKα","","0.0979","0.0503","","","0.0837","0.095","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515346","5.0665","0.0002","43.206","0.002","14.1396","0.0008","90","","99.686","0.003","90","","3051.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N3 O6 -","- C31 H35 N3 O6 -","- C124 H140 N12 O24 -","4","2","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Photo-induced charge-transfer complex formation and organogelation by a tripeptide","Soft Matter","2012","8","20","5621","","10.1039/c2sm25062d","","","0.71073","MoKα","","0.0758","0.0552","","","0.1228","0.1321","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515354","12.317","0.002","4.6108","0.0008","19.488","0.003","90","","107.519","0.004","90","","1055.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C46 H64 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.104","0.0624","","","0.1354","0.1628","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515355","12.1914","0.0014","4.6342","0.0006","17.341","0.002","90","","107.849","0.005","90","","932.6","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","12","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.1602","0.0972","","","0.2219","0.255","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515356","4.5914","0.0001","19.6481","0.0004","11.2393","0.0003","90","","90.872","0.001","90","","1013.81","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","14 form 2","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0488","0.0376","","","0.0886","0.0944","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515357","12.275","0.004","4.6302","0.0015","20.791","0.007","90","","102.108","0.009","90","","1155.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17","","- C25 H36 N4 O2 -","- C25 H36 N4 O2 -","- C50 H72 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0789","0.0625","","","0.1518","0.1623","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515377","12.181","0.0011","16.841","0.004","20.805","0.0014","90","","102.322","0.014","90","","4169.6","1.1","122","","122.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Biotin[6]uril","","- C70 H108 N12 O20 S6 -","- C70 H107.621 N12 O20 S6 -","- C140 H215.243 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.114","0.0758","","","0.201","0.2322","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515378","12.468","0.012","16.713","0.016","21.06","0.02","90","","103.28","0.05","90","","4271","7","151","2","151","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H114 I N12 Na O23 S6 -","- C70 H114 I N12 Na O23 S6 -","- C140 H228 I2 N24 Na2 O46 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.1125","0.0641","","","0.1375","0.159","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515390","9.3751","0.0016","9.8572","0.0017","16.631","0.003","90","","101.792","0.002","90","","1504.5","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H39 N O6 S -","- C33 H39 N O6 S -","- C66 H78 N2 O12 S2 -","2","1","","Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun","Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.","Organic letters","2014","16","9","2370","2373","10.1021/ol500700d","","","0.71073","MoKα","","0.0393","0.0361","","","0.0762","0.0785","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515436","11.6322","0.0006","5.663","0.0003","13.3325","0.0006","90","","102.479","0.001","90","","857.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C42 H36 O4 S2 -","2","1","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0322","0.0316","","","0.0831","0.0835","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515441","7.6164","0.0002","5.7256","0.0002","14.7508","0.0005","90","","94.881","0.002","90","","640.93","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(4-methylphenyl)disulfide","bis(4-methylphenyl)disulfide","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.0503","0.038","","","0.0833","0.0901","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515457","8.2835","0.0004","13.979","0.0007","10.5581","0.0005","90","","90.255","0.002","90","","1222.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0453","0.0366","","","0.0882","0.0931","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515473","7.7381","0.0004","7.317","0.0004","14.5532","0.0008","90","","91.323","0.002","90","","823.78","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C36 H42 N6 O4 S2 -","2","1","","Albrecht, Łukasz; Albrecht, Anna; Ransborg, Lars Krogager; Jørgensen, Karl Anker","Asymmetric organocatalytic [3 + 2]-annulation strategy for the synthesis of N-fused heteroaromatic compounds","Chemical Science","2011","2","7","1273","","10.1039/c1sc00122a","","x-ray","0.71073","MoKα","","0.0243","0.0239","","","0.0652","0.0656","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515481","16.022","0.005","10.006","0.002","17.448","0.004","90","","95.44","0.005","90","","2784.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N8 O2 -","- C29 H36 N8 O2 -","- C116 H144 N32 O8 -","4","2","","Fuentes, José A.; Lebl, Tomas; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Synthesis of organocatalysts using non-covalent chemistry; understanding the reactivity of ProNap, an enamine-type organocatalyst that can self assemble with complementary co-catalysts","Chemical Science","2011","2","10","1997","","10.1039/c1sc00299f","","","1.54178","CuKα","","0.0727","0.0588","","","0.148","0.1645","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515545","11.0978","0.0011","10.0421","0.001","15.8898","0.0016","90","","99.529","0.002","90","","1746.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H42 N2 O4 -","- C41 H42 N2 O4 -","- C82 H84 N4 O8 -","2","1","","Li, Jie; Chen, Gang; Wang, Zheng; Zhang, Ruzhou; Zhang, Xumu; Ding, Kuiling","Spiro-2,2′-bichroman-based bisoxazoline (SPANbox) ligands for ZnII-catalyzed enantioselective hydroxylation of β-keto esters and 1,3-diester","Chemical Science","2011","2","6","1141","","10.1039/c0sc00607f","","","0.71073","MoKα","","0.075","0.0608","","","0.1302","0.1373","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515546","9.9624","0.0004","17.8137","0.0008","12.6175","0.0006","90","","98.264","0.002","90","","2215.94","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O2 S -","- C12 H18 Br N O2 S -","- C72 H108 Br6 N6 O12 S6 -","6","3","","Chuang, Kangway V.; Navarro, Raul; Reisman, Sarah E.","Benzoquinone-derived sulfinyl imines as versatile intermediates for alkaloid synthesis: Total synthesis of (‒)-3-demethoxyerythratidinone","Chemical Science","2011","2","6","1086","","10.1039/c1sc00095k","","","0.71073","MoKα","","0.0344","0.0257","","","0.0308","0.0315","","","","","","1.083","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515577","9.548","0.004","5.573","0.002","13.512","0.005","90","","102.084","0.006","90","","703.1","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 F3 N O4 -","- C13 H18 F3 N O4 -","- C26 H36 F6 N2 O8 -","2","1","","Royzen, Maksim; Taylor, Michael T.; Deangelis, Andrew; Fox, Joseph M.","Total Synthesis of Hyacinthacine A2: Stereocontrolled 5-aza-cyclooctene Photoisomerization and Transannular Hydroamination with Planar-to-Point Chirality Transfer.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2162","2165","10.1039/C1SC00442E","","","0.71073","MoKα","","0.0409","0.0376","","","0.099","0.1025","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515607","9.7467","0.0002","14.1261","0.0003","20.0486","0.0004","90","","95.845","0.001","90","","2746","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 O4 Si -","- C30 H38 O4 Si -","- C120 H152 O16 Si4 -","4","2","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","0.0863","0.0779","","","0.2133","0.2246","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515650","11.2346","0.0002","7.9046","0.0002","14.0597","0.0003","90","","94.892","0.001","90","","1244.02","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl N O5 S2 -","- C27 H22 Cl N O5 S2 -","- C54 H44 Cl2 N2 O10 S4 -","2","1","","Atienza, Roxanne L.; Roth, Howard S.; Scheidt, Karl A.","N-heterocyclic carbene-catalyzed rearrangements of vinyl sulfones.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1772","1776","10.1039/C1SC00194A","","","0.71073","MoKα","","0.0634","0.0404","","","0.0764","0.0947","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515662","12.363","0.005","6.388","0.003","17.867","0.008","90","","98.728","0.004","90","","1394.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","2","","Li, Hui; Zhang, Fu-Min; Tu, Yong-Qiang; Zhang, Qing-Wei; Chen, Zhi-Min; Chen, Zhi-Hua; Li, Jian","Enantioselective bromination/semipinacol rearrangement for the synthesis of β-bromoketones containing an all-α-carbon quaternary center","Chemical Science","2011","2","9","1839","","10.1039/c1sc00295c","","","0.71073","MoKα","","0.0925","0.0473","","","0.0779","0.0901","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515678","8.962","0.0007","10.4716","0.0007","12.3795","0.001","90","","100.903","0.003","90","","1140.8","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C56 H58 N2 O4 S2 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0493","0.0432","","","0.1153","0.1227","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515711","11.882","0.003","8.409","0.002","44.412","0.01","90","","91.766","0.004","90","","4435.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 B F2 N2 O0 -","- C20 H21 B F2 N2 -","- C200 H210 B10 F20 N20 -","10","5","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.1302","0.0754","","","0.1882","0.2155","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515734","8.154","0.002","7.971","0.002","12.393","0.003","90","","104.93","0.003","90","","778.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Shiraki, Saori; Natarajan, Arunkumar; Garcia-Garibay, Miguel A","The synthesis and stereospecific solid-state photodecarbonylation of hexasubstituted meso- and d,l-ketones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1480","1487","10.1039/c1pp05080j","","","0.71073","MoKα","","0.0325","0.0305","","","0.0789","0.0803","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515755","9.164","0.0016","14.0102","0.0017","9.5202","0.0018","90","","117.23","0.02","90","","1086.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B N O2 P -","- C23 H29 B N O2 P -","- C46 H58 B2 N2 O4 P2 -","2","1","","Rast, Slavko; Mohar, Barbara; Stephan, Michel","Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.","Organic letters","2014","16","10","2688","2691","10.1021/ol500970x","","","0.71073","MoKα","","0.0745","0.0583","","","0.1426","0.1584","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515756","11.8787","0.0002","8.9358","0.0002","12.7533","0.0003","90","","108.685","0.002","90","","1282.36","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 B O P -","- C13 H14 B O P -","- C52 H56 B4 O4 P4 -","4","2","","Rast, Slavko; Mohar, Barbara; Stephan, Michel","Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.","Organic letters","2014","16","10","2688","2691","10.1021/ol500970x","","","1.54184","CuKα","","0.0491","0.0459","","","0.1324","0.1376","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515766","11.686","0.012","7.737","0.007","10.674","0.011","90","","114.187","0.005","90","","880.4","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,8-DMeDNTT","2,8-DMeDNTT","","- C24 H16 S2 -","- C24 H16 S2 -","- C48 H32 S4 -","2","1","","Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo","Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors","Chemical Science","2010","1","2","179","","10.1039/c0sc00156b","","","0.7107","MoKα","","0.1027","0.0731","","","0.1702","0.1929","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515788","9.5228","0.0013","7.4316","0.0011","9.7945","0.0014","90","","103.092","0.003","90","","675.14","0.17","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H19 O4 P Si -","- C9 H19 O4 P Si -","- C18 H38 O8 P2 Si2 -","2","1","","Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi","Catalytic asymmetric hydrophosphonylation of ynones","Chemical Science","2010","1","4","488","","10.1039/c0sc00268b","","","0.71073","MoKα","","0.0412","0.0388","","","0.0968","0.099","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515816","6.7539","0.0011","19.324","0.003","21.197","0.004","90","","94.231","0.003","90","","2758.9","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09189a","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","2","","Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.","Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","3","387","392","10.1039/C0SC00280A","","","0.71073","MoKα","","0.1235","0.0696","","","0.1454","0.1777","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515838","10.6909","0.0019","10.6557","0.0016","12.547","0.002","90","","110.269","0.004","90","","1340.8","0.4","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C52 H82 N2 O18 -","2","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0535","0.0466","","","0.102","0.1082","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515839","5.9601","0.001","10.917","0.0017","20.891","0.004","90","","94.816","0.004","90","","1354.5","0.4","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C52 H82 N2 O18 -","2","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0453","0.043","","","0.1044","0.1061","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515841","13.5873","0.0014","6.9161","0.0007","15.7114","0.0017","90","","98.786","0.002","90","","1459.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br N4 O4.5 -","- C12 H16 Br N4 O4.5 -","- C48 H64 Br4 N16 O18 -","4","2","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0437","0.0346","","","0.0795","0.0829","","","","","","1.017","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515842","6.7838","0.0007","8.118","0.0009","12.9579","0.0014","90","","100.117","0.002","90","","702.51","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br2 N4 O3 -","- C12 H12 Br2 N4 O3 -","- C24 H24 Br4 N8 O6 -","2","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0243","0.0227","","","0.0488","0.0491","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515846","9.2556","0.0009","8.0917","0.0008","11.7613","0.0012","90","","91.799","0.002","90","","880.41","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N2 O3 S -","- C17 H17 Br N2 O3 S -","- C34 H34 Br2 N4 O6 S2 -","2","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0282","0.0251","","","0.056","0.057","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515881","9.6031","0.0001","8.4478","0.0001","10.8364","0.0002","90","","101.527","0.0004","90","","861.37","0.02","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","eri666re","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Arai, Takayoshi; Matsumura, Eri; Masu, Hyuma","Bis(imidazolidine)pyridine-NiCl2 Catalyst for Nitro-Mannich Reaction of Isatin-Derived N-Boc Ketimines: Asymmetric Synthesis of Chiral 3-Substituted 3-Amino-2-oxindoles.","Organic letters","2014","16","10","2768","2771","10.1021/ol501085y","","","1.54178","CuKα","","0.0263","0.0262","","","0.0697","0.0698","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515925","8.349","0.003","5.2884","0.0017","9.007","0.003","90","","101.9","0.004","90","","389.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08185b","","","- C6 H7 Br O4 -","- C6 H7 Br O4 -","- C12 H14 Br2 O8 -","2","1","","Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A.","High Tg aliphatic polyesters by the polymerization of spirolactide derivatives","Polymer Chemistry","2010","1","6","870","","10.1039/c0py00029a","","","0.71073","MoKα","","0.0369","0.0316","","","0.0772","0.0814","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515926","5.7525","0.0012","7.0293","0.0015","7.8151","0.0016","90","","99.916","0.002","90","","311.29","0.11","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","08191a","","","- C6 H6 O4 -","- C6 H6 O4 -","- C12 H12 O8 -","2","1","","Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A.","High Tg aliphatic polyesters by the polymerization of spirolactide derivatives","Polymer Chemistry","2010","1","6","870","","10.1039/c0py00029a","","","0.71073","MoKα","","0.0359","0.0335","","","0.0921","0.0953","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515932","10.1039","0.0003","7.5996","0.0002","19.6507","0.0005","90","","101.655","0.0019","90","","1477.78","0.07","293","","293","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O4 S -","- C30 H51 N O4 S -","- C60 H102 N2 O8 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid‒amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","powder diffraction","","1.5406","CuKα1","","","","","","","","","3.9524","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515933","9.9056","0.0003","7.6387","0.0003","19.5268","0.0006","90","","104.788","0.002","90","","1428.57","0.08","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O4 S -","- C30 H51 N O4 S -","- C60 H102 N2 O8 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid‒amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","","","0.71073","MoKα","","0.077","0.0568","","","0.104","0.1134","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515934","10.1765","0.0004","7.5262","0.0003","19.5268","0.0008","90","","102.747","0.002","90","","1458.71","0.1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O5 S -","- C30 H51 N O5 S -","- C60 H102 N2 O10 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid‒amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","","","0.71073","MoKα","","0.1282","0.0719","","","0.109","0.1297","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515935","10.2484","0.0003","7.5897","0.0002","19.3681","0.0005","90","","105.323","0.002","90","","1452.94","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O6 S -","- C30 H51 N O6 S -","- C60 H102 N2 O12 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid‒amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","","","0.71073","MoKα","","0.0763","0.0553","","","0.1025","0.1117","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515937","9.872","0.005","4.921","0.003","16.859","0.009","90","","96.518","0.009","90","","813.7","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2NaG","(2Z)-[(2-{[(naphthalen-1-yloxy)acetyl]amino}propanoyl) imino]ethanoic acid","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C34 H36 N4 O10 -","2","1","","Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M.","The delicate balance between gelation and crystallisation: structural and computational investigations","Soft Matter","2010","6","17","4144","","10.1039/c0sm00409j","","","0.71073","MoKα","","0.1748","0.09","","","0.1911","0.2337","","","","","","0.865","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515976","6.0539","0.0002","11.5542","0.0004","13.5149","0.0005","90","","102.108","0.002","90","","924.31","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Kumar, Chebolu Naga Sesha Sai Pavan; Chein, Rong-Jie","Synthesis of labdane diterpenes galanal a and B from (+)-sclareolide.","Organic letters","2014","16","11","2990","2992","10.1021/ol501121v","","","0.71073","MoKα","","0.0597","0.0406","","","0.0801","0.0875","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516000","12.219","0.002","6.766","0.001","20.899","0.004","90","","105.443","0.002","90","","1665.4","0.5","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Solomon, Marissa; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J.","Vibrational deactivation of singlet oxygen: does it play a role in stereoselectivity during photooxygenation?","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2008","7","5","531","533","10.1039/b719387d","","","0.71073","MoKα","","0.1108","0.0457","","","0.0881","0.1034","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516008","10.8171","0.0004","6.2921","0.0003","15.093","0.0005","90","","96.093","0.003","90","","1021.46","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0517","0.0476","","","0.1282","0.1336","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516018","5.04229","0.00017","18.3451","0.0005","12.8083","0.0004","90","","97.227","0.003","90","","1175.37","0.06","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H30 N4 O7 S2 -","- C19 H30 N4 O7 S2 -","- C38 H60 N8 O14 S4 -","2","1","","Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Rüdiger W; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sanchez-Garcia, Elsa; Sander, Wolfram","Conformation and dynamics of a cyclic disulfide-bridged peptide: effects of temperature and solvent.","The journal of physical chemistry. B","2013","117","13","3560","3570","10.1021/jp4007334","","","0.71073","MoKα","","0.052","0.0372","","","0.0662","0.0709","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516020","15.2751","0.0003","8.0457","0.0002","15.9079","0.0003","90","","116.395","0.001","90","","1751.25","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H60 O12 -","- C36 H60 O12 -","- C72 H120 O24 -","2","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0472","0.0468","","","0.1362","0.1368","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516024","15.2138","0.0003","8.0132","0.0002","16.3249","0.0003","90","","116.964","0.001","90","","1773.84","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H58 O10 -","- C36 H58 O10 -","- C72 H116 O20 -","2","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.037","0.0364","","","0.1031","0.1038","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516029","11.53","0.0008","15.337","0.0007","20.85","0.0017","90","","103.737","0.003","90","","3581.6","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33.5 H34 Cl5 N O P2 Si Ti -","- C33.5 H34 Cl5 N O P2 Si Ti -","- C134 H136 Cl20 N4 O4 P8 Si4 Ti4 -","4","2","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0568","0.045","","","0.1102","0.1448","","","","","","1.143","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516033","6.0714","0.0008","17.224","0.002","19.62","0.003","90","","97.108","0.007","90","","2036","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","2","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0534","","","","0.1437","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516034","11.615","0.004","8.416","0.003","15.096","0.005","90","","109.245","0.008","90","","1393.2","0.8","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 N O6 S -","- C29 H31 Cl2 N O6 S -","- C58 H62 Cl4 N2 O12 S2 -","2","1","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0502","","","","0.124","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516038","9.5594","0.0012","5.8786","0.0007","29.704","0.004","90","","96.345","0.002","90","","1659","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","2","","O'Mahony, John; Karlsson, Bjorn C. G.; Mizaikoff, Boris; Nicholls, Ian A.","Correlated theoretical, spectroscopic and X-ray crystallographic studies of a non-covalent molecularly imprinted polymerisation system.","The Analyst","2007","132","11","1161","1168","10.1039/b706258c","","","0.71073","MoKα","","0.0609","0.0532","","","0.1493","0.1628","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516051","8.1308","0.0002","17.5736","0.0003","11.0262","0.0002","90","","94.94","0.001","90","","1569.65","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19.26 N O5.13 -","- C18 H19.26 N O5.13 -","- C72 H77.04 N4 O20.52 -","4","2","","Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui","Cytotoxic alkaloids from the whole plants of Zephyranthes candida.","Journal of natural products","2012","75","12","2113","2120","10.1021/np3005425","","","1.54178","CuKα","","0.0282","0.0282","","","0.0732","0.0732","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516055","10.876","0.003","6.7384","0.0017","14.743","0.003","90","","92.481","0.012","90","","1079.5","0.5","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,4R,5R,10bS)-5-(benzo[d][1,3]dioxol-5-yl)-10-methoxy-1-oxo-1,3,3a,4,5,10b- hexahydrofuro[3',4':5,6]naphtho[2,3-d][1,3]dioxole-4-carboxylic acid compound with propan-2-one (2:1)","","- C23.5 H21 O9.5 -","- C23.5 H21 O9.5 -","- C47 H42 O19 -","2","1","","Thanh, Van Trinh Thi; Pham, Van Cuong; Mai, Huong Doan Thi; Litaudon, Marc; Guéritte, Françoise; Retailleau, Pascal; Nguyen, Van Hung; Chau, Van Minh","Cytotoxic lignans from fruits of Cleistanthus indochinensis: synthesis of cleistantoxin derivatives.","Journal of natural products","2012","75","9","1578","1583","10.1021/np3003832","","","1.54187","CuKα","","0.108","0.0651","","","0.1637","0.2109","","","","","","0.959","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516057","17.039","0.005","6.2992","0.0013","21.025","0.006","90","","97.831","0.006","90","","2235.6","1","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H15 Mo O5 P -","- C26 H15 Mo O5 P -","- C104 H60 Mo4 O20 P4 -","4","2","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.1402","0.0704","","","0.1455","0.2063","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516099","6.4088","0.0019","17.279","0.005","8.579","0.003","90","","101.67","0.006","90","","930.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles.","Organic letters","2012","14","23","6068","6071","10.1021/ol302955u","","","0.7107","MoKα","","0.0486","0.0415","","","0.0934","0.0999","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516115","8.5089","0.0002","9.1505","0.0002","12.5241","0.0002","90","","96.049","0.002","90","","969.71","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(15S,16R,21S)-(-)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","1.54184","CuKα","","0.031","0.0301","","","0.0787","0.0801","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516117","8.4914","0.001","9.1548","0.0011","12.4788","0.0015","90","","95.838","0.003","90","","965","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Plus,minus)-andransinine (racemic conglomerate)","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.0413","0.0373","","","0.0902","0.0932","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516119","8.5096","0.0001","9.1538","0.0001","12.5333","0.0001","90","","96.03","0.001","90","","970.882","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(15R,16S,21R)-(+)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","1.54184","CuKα","","0.0349","0.0347","","","0.0908","0.0911","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516134","9.154","0.003","16.606","0.005","13.184","0.004","90","","91.919","0.004","90","","2003","1.1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 N O2 S Si -","- C19 H27 N O2 S Si -","- C76 H108 N4 O8 S4 Si4 -","4","2","","Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro","Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.","Organic letters","2014","16","11","3028","3031","10.1021/ol501143c","","","0.71075","MoKα","","","0.026","","","","0.0661","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516135","11.1188","0.0003","10.5531","0.0003","15.6491","0.0005","90","","110.738","0.008","90","","1717.26","0.13","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H25 N O2 S Sn -","- C14 H25 N O2 S Sn -","- C56 H100 N4 O8 S4 Sn4 -","4","2","","Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro","Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.","Organic letters","2014","16","11","3028","3031","10.1021/ol501143c","","","0.71075","MoKα","","","0.017","","","","0.0434","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516139","8.6499","0.0001","30.9257","0.0003","11.9013","0.0002","90","","95.343","0.001","90","","3169.82","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C104 H128 Cl4 F24 Ir4 N16 O2 P4 -","4","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.042","0.035","","","0.0888","0.0902","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516148","11.639","0.0007","5.5765","0.0003","15.5447","0.001","90","","106.278","0.003","90","","968.48","0.1","100","","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S)-ethyl 3-(1H-indol-3-yl)-2-(4-methylphenylsulfonamido)butanoate","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C42 H48 N4 O8 S2 -","2","1","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","0.71073","MoKα","","0.0465","0.0341","","","0.0678","0.072","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516152","7.952","0.002","12.184","0.004","14.721","0.004","90","","92.596","0.004","90","","1424.8","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C64 H52 Br4 O12 -","4","2","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0672","0.0471","","","0.1002","0.1092","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516154","6.2085","0.0015","5.3383","0.0012","15.239","0.004","90","","95.715","0.004","90","","502.6","0.2","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0378","0.0341","","","0.0793","0.0813","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516339","8.4867","0.0006","6.5654","0.0005","11.1325","0.0007","90","","108.878","0.003","90","","586.92","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","1.54178","CuKα","","0.1015","0.0853","","","0.2531","0.291","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516383","7.6007","0.0002","7.3647","0.0002","16.11","0.0004","90","","93.9836","0.001","90","","899.61","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl2 N4 -","- C19 H18 Cl2 N4 -","- C38 H36 Cl4 N8 -","2","1","","Ma, Yan; Hao, Rui; Shao, Guangsheng; Wang, Yuan","An excellent fluorescent dye with a twistable aromatic chain and its axially chiral crystals.","The journal of physical chemistry. A","2009","113","17","5066","5072","10.1021/jp900514e","","","0.71073","MoKα","","0.0504","0.035","","","0.0865","0.0917","","","","","","1.064","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1516431","12.622","0.011","7.267","0.006","16.01","0.014","90","","110.752","0.015","90","","1373","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27 N Si -","- C36 H27 N Si -","- C72 H54 N2 Si2 -","2","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.3351","0.1195","","","0.2594","0.3578","","","","","","0.837","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516457","7.3662","0.0004","17.2624","0.0008","11.3119","0.0007","90","","107.957","0.004","90","","1368.33","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C56 H76 N4 O8 S4 -","4","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0389","0.0297","","","0.0594","0.0608","","","","","","0.874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516460","10.2019","0.0012","13.2716","0.0008","11.3946","0.0009","90","","100.893","0.008","90","","1515","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0342","0.0289","","","0.0639","0.065","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516523","6.546","0.003","12.058","0.006","8.846","0.005","90","","97.94","0.03","90","","691.5","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5S,E)-1-but-2-enoyl-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.0526","0.0358","","","0.0784","0.0828","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516595","9.9116","0.0002","7.094","0.0001","26.0972","0.0005","90","","94.539","0.001","90","","1829.21","0.06","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-((3S,4aR,5S,6S,7R,8S)-4a,5,6,7,8-pentahydroxy-2,2-dimethyl-7- (3-methylbut-3-en-1-yn-1-yl)octahydro-2H-chromen-3-yl)ethanone","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","2","","Yurchenko, Anton N.; Smetanina, Olga F.; Kalinovsky, Anatoly I.; Pushilin, Michael A.; Glazunov, Valeriy P.; Khudyakova, Yuliya V.; Kirichuk, Natalya N.; Ermakova, Svetlana P.; Dyshlovoy, Sergey A.; Yurchenko, Ekaterina A.; Afiyatullov, Shamil Sh","Oxirapentyns F-K from the Marine-Sediment-Derived Fungus Isaria felina KMM 4639.","Journal of natural products","2014","77","6","1321","1328","10.1021/np500014m","","x-ray","0.71073","MoKα","","0.0362","0.0317","","","0.0871","0.0906","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516614","8.464","0.002","25.375","0.004","10.154","0.002","90","","90.42","0.02","90","","2180.8","0.8","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","2","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.0743","0.0459","","0.1069","0.093","","","","1.013","1.062","1.062","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516619","11.3186","0.0003","15.8687","0.0004","20.1536","0.0014","90","","101.153","0.007","90","","3551.5","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H44 O13 -","- C32 H44 O13 -","- C128 H176 O52 -","4","2","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.1623","0.064","","","0.1477","0.2267","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516631","6.3034","0.0009","6.8102","0.0009","12.5634","0.0017","90","","99.245","0.002","90","","532.31","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C18 H30 N2 O6 S2 -","2","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0422","0.0349","","","0.0806","0.085","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516653","13.576","0.001","8.049","0.001","10.772","0.001","90","","109.89","0.01","90","","1106.9","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O6 -","- C24 H33 N O6 -","- C48 H66 N2 O12 -","2","1","","Li, Chun-Shun; Di, Ying-Tong; He, Hong-Ping; Gao, Suo; Wang, Yue-Hu; Lu, Yang; Zhong, Jia-Liang; Hao, Xiao-Jiang","Daphlongeranines A and B, two novel alkaloids possessing unprecedented skeletons from Daphniphyllum longeracemosum.","Organic letters","2007","9","13","2509","2512","10.1021/ol070942+","","","0.71073","MoKα","","0.0384","0.038","","","0.1","0.1007","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516662","8.2919","0.0008","18.2388","0.0018","10.7413","0.001","90","","106.478","0.002","90","","1557.7","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H44 O11 -","- C32 H44 O11 -","- C64 H88 O22 -","2","1","","Yin, Sheng; Wang, Xiao-Ning; Fan, Cheng-Qi; Liao, Shang-Gao; Yue, Jian-Min","The first limonoid peroxide in the Meliaceae family: walsuronoid A from Walsura robusta.","Organic letters","2007","9","12","2353","2356","10.1021/ol070735+","","","0.71073","MoKα","","0.0609","0.0542","","","0.1248","0.1286","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516663","16.0338","0.0017","5.4918","0.0004","16.9616","0.0018","90","","117.095","0.004","90","","1329.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","2","","Jung, Jae Hoon; Kim, Yong Wook; Kim, Min Ah; Choi, Soo Young; Chung, Young Keun; Kim, Tae-Rae; Shin, Seokmin; Lee, Eun","Efficient chirality transfer in the SmI2-mediated cyclization of aldehydo beta-alkoxyvinyl sulfoxides: asymmetric synthesis of 3-hydroxyoxanes.","Organic letters","2007","9","17","3225","3228","10.1021/ol071176+","","","0.71073","MoKα","","0.1215","0.0606","","","0.1253","0.1507","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516665","10.7866","0.0004","7.7855","0.0003","14.9348","0.0007","90","","99.41","0.004","90","","1237.33","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C60 H72 O8 -","2","1","","Tian, Wen-Jing; Yu, Yang; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng","Norsampsones A-D, Four New Decarbonyl Polycyclic Polyprenylated Acylphloroglucinols from Hypericum sampsonii.","Organic letters","2014","16","13","3448","3451","10.1021/ol501333k","","","1.54178","CuKα","","0.0391","0.034","","","0.078","0.0824","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516752","7.773","0.002","6.401","0.002","8.075","0.003","90","","103.792","0.005","90","","390.2","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","1","","Hong, Bor-Cherng; Wu, Ming-Fun; Tseng, Hsing-Chang; Liao, Ju-Hsiou","Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol.","Organic letters","2006","8","11","2217","2220","10.1021/ol060486+","","","0.71073","MoKα","","0.0561","0.0518","","","0.1301","0.1334","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516755","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo","Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.","Organic letters","2006","8","17","3813","3816","10.1021/ol0614065","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516758","10.4287","0.0019","9.2211","0.0017","15.589","0.003","90","","95.126","0.004","90","","1493.1","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 O3 S -","- C35 H34 O3 S -","- C70 H68 O6 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0499","0.0446","","","0.109","0.1117","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516772","8.048","0.005","8.682","0.005","12.059","0.008","90","","107.03","0.02","90","","805.6","0.9","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","b-D-fructofuranosyl 4-chloro-4-deoxy-a-D-galactopyranoside","","- C12 H23 Cl O11 -","- C12 H23 Cl O11 -","- C24 H46 Cl2 O22 -","2","1","","Takashi Fujimoto; Daisuke Miura; Akari Iwamoto; Tomoya Machinami; Mitsuru Tashiro","Crystal Structure of β-D-Fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside","X-ray Structure Analysis Online","2013","29","","43","44","10.2116/xraystruct.29.43","","","0.71075","MoKα","","","0.0529","","","","0.1415","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516773","10.6163","0.0002","8.2221","0.0002","20.1917","0.0004","90","","97.374","0.002","90","","1747.92","0.06","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","2","","Wu, Xiang; Chen, Shu-Sen; Hu, Yue; Gong, Liu-Zhu","Gold-Catalyzed [1,5]-Hydride Shift onto Unactivated Alkynes To Trigger an Intermolecular Diels-Alder Reaction.","Organic letters","2014","16","14","3820","","10.1021/ol5017355","","","1.54184","CuKα","","0.0394","0.0358","","","0.095","0.0986","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516780","11.2046","0.0005","5.9421","0.0002","15.3755","0.0007","90","","92.792","0.002","90","","1022.47","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Br N2 O2 -","- C26 H19 Br N2 O2 -","- C52 H38 Br2 N4 O4 -","2","1","","Yang, Limin; Wang, Fei; Lee, Richmond; Lv, Yunbo; Huang, Kuo-Wei; Zhong, Guofu","Asymmetric NHC-Catalyzed Aza-Diels-Alder Reactions: Highly Enantioselective Route to α-Amino Acid Derivatives and DFT Calculations.","Organic letters","2014","16","15","3872","3875","10.1021/ol501424f","","","0.71073","MoKα","","0.0573","0.0369","","","0.0917","0.1237","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516799","14.899","0.003","5.697","0.0011","17.092","0.005","90","","93.694","0.007","90","","1447.7","0.6","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 Br3 O6 -","- C32 H25 Br3 O6 -","- C64 H50 Br6 O12 -","2","1","","Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu","Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.","Journal of natural products","2014","77","7","1729","1733","10.1021/np500075m","","","0.71075","MoKα","","","0.066","","","","0.1287","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516811","6.9109","0.0011","13.975","0.002","10.4052","0.0016","90","","106.962","0.003","90","","961.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Gao, Run-Duo; Liu, Chuan; Dai, Li-Xin; Zhang, Wei; You, Shu-Li","Pd(0)-Catalyzed Alkenylation and Allylic Dearomatization Reactions between Nucleophile-Bearing Indoles and Propargyl Carbonate.","Organic letters","2014","16","15","3919","3921","10.1021/ol501704q","","","0.71073","MoKα","","0.0672","0.0567","","","0.1459","0.153","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516813","6.2771","0.001","11.7706","0.0018","8.7028","0.0013","90","","97.826","0.005","90","","637.02","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0482","","","","0.1307","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516819","19.9022","0.0001","17.8522","0.0001","24.9096","0.0001","90","","90.652","0.001","90","","8849.76","0.08","133","","133","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H124 N4 O15 Re2 Ti2 -","- C80 H124 N4 O15 Re2 Ti2 -","- C320 H496 N16 O60 Re8 Ti8 -","4","2","","Chen Li; Xiao Peng; Shou-Chun Zhang; Li-Yuan Chai; Xiao-Yi Yi","Heteropolymetallic complexes containing ReO4-: Catalytic oxidation of sulfide","Inorganica Chimica Acta","2013","398","","113","116","","","x-ray","1.5418","CuKα","","0.0397","0.0359","","","0.0836","0.0849","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516827","7.304","0.0003","15.576","0.0008","11.301","0.0006","90","","100.378","0.003","90","","1264.65","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","","0.71073","MoKα","","0.0424","0.0378","","","0.0911","0.0949","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516969","10.488","0.003","8.97","0.002","10.599","0.003","90","","107.296","0.003","90","","952","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C40 H44 Br4 O4 -","4","2","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0395","0.0368","","","0.0811","0.0831","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516970","11.041","0.002","6.6793","0.0013","12.193","0.002","90","","102.07","0.03","90","","879.3","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0537","0.0494","","","0.1163","0.12","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517040","8.9744","0.0007","13.352","0.001","15.3503","0.0011","90","","92.545","0.001","90","","1837.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 N4 O5 Zn -","- C16 H20 N4 O5 Zn -","- C64 H80 N16 O20 Zn4 -","4","2","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0474","0.0373","","","0.0912","0.095","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517073","7.7819","0.0016","6.151","0.0012","18.029","0.004","90","","97.73","0.03","90","","855.1","0.3","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.0474","0.0461","","","0.1166","0.1181","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517135","11.732","0.003","20.372","0.005","13.555","0.003","90","","95.244","0.003","90","","3226.1","1.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 N O4 Ti -","- C37 H39 N O4 Ti -","- C148 H156 N4 O16 Ti4 -","4","2","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71075","MoKα","","0.0477","0.041","","","0.0857","0.0883","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517141","13.2719","0.0012","18.6748","0.0017","15.4381","0.0015","90","","107.912","0.002","90","","3640.9","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H89 N3 O8 Ti2 -","- C87 H89 N3 O8 Ti2 -","- C174 H178 N6 O16 Ti4 -","2","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0672","0.055","","","0.1243","0.133","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517142","12.96","0.0012","12.0807","0.001","19.156","0.0016","90","","91.357","0.002","90","","2998.3","0.4","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C69 H65 N3 O8 Ti2 -","- C69 H65 N3 O8 Ti2 -","- C138 H130 N6 O16 Ti4 -","2","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0938","0.0641","","","0.1168","0.1317","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517152","5.2333","0.0005","15.577","0.002","16.8148","0.0019","90","","94.495","0.01","90","","1366.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O,O'-dipropyl-ethylenediamine-N,N'-di-S,S-(2,2'-dibenzyl) acetate dihydrochloride","","- C26 H38 Cl2 N2 O4 -","- C26 H38 Cl2 N2 O4 -","- C52 H76 Cl4 N4 O8 -","2","1","","Dejana P. Dimitrijevic; Verica V. Glodovic; Gordana P. Radic; Santiago Garcia-Granda; Laura Menendez-Taboada; Marija Milovanovic; Vladislav Volarevic; Nebojsa Arsenijevic; Goran A. Bogdanovic; Srecko R. Trifunovic","Stereospecific ligands and their complexes. Part XV. Synthesis, characterization and cytotoxicity of novel platinum(IV) complexes with some esters of ethylenediamine-N,,N'N'-di-S,,S-(2,2''-dibenzyl)acetic acid. Crystal structure of O,,O''-dipropyl-ethylenediamine‒N,,N''-di-S,,S-(2,2''-dibenzyl)acetate dihydrochloride","Inorganica Chimica Acta","2013","402","","83","89","","","","1.54184","CuKα","","0.1346","0.0522","","","0.0913","0.1159","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517202","8.117","0.005","7.669","0.005","28.305","0.005","90","","94.859","0.005","90","","1755.6","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O2 -","- C18 H24 Cl N O2 -","- C72 H96 Cl4 N4 O8 -","4","2","","Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra","N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation","Catal. Sci. Technol.","2014","4","11","3945","","10.1039/C4CY00609G","","","0.71069","MoKα","","0.1054","0.0633","","","0.1043","0.1188","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517203","11.20234","0.00015","14.9864","0.0003","14.7402","0.0003","90","","107.993","0.0016","90","","2353.6","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H46 Cl4 N2 O P2 Ru -","- C53 H46 Cl4 N2 O P2 Ru -","- C106 H92 Cl8 N4 O2 P4 Ru2 -","2","1","","Chen, Xiangning; Zhou, Han; Zhang, Kunyu; Li, Jiawen; Huang, Hanmin","Highly enantioselective hydrogenation of steric hindrance enones catalyzed by ru complexes with chiral diamine and achiral phosphane.","Organic letters","2014","16","15","3912","3915","10.1021/ol501648a","","","1.5418","CuKα","","0.032","0.0314","","","0.081","0.082","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517211","11.8212","0.0009","10.6057","0.0008","18.6077","0.0017","90","","97.779","0.004","90","","2311.4","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H50 F6 N4 O4 Zn2 -","- C46 H50 F6 N4 O4 Zn2 -","- C92 H100 F12 N8 O8 Zn4 -","2","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0733","0.0438","","","0.0738","0.0841","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517227","9.5701","0.0004","7.9131","0.0003","13.6352","0.0006","90","","108.404","0.005","90","","979.77","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N3 -","- C23 H19 Cl2 N3 -","- C46 H38 Cl4 N6 -","2","1","","Zhang, Wenjun; Ma, Liang; Li, Sumei; Liu, Zhong; Chen, Yuchan; Zhang, Haibo; Zhang, Guangtao; Zhang, Qingbo; Tian, Xinpeng; Yuan, Chengshan; Zhang, Si; Zhang, Weimin; Zhang, Changsheng","Indimicins A-E, Bisindole Alkaloids from the Deep-Sea-Derived Streptomyces sp. SCSIO 03032.","Journal of natural products","2014","77","8","1887","","10.1021/np500362p","","","1.54184","CuKα","","0.0373","0.0324","","","0.0787","0.0822","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517232","5.526","0.0009","11.111","0.002","13.716","0.002","90","","98.463","0.009","90","","833","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 S -","- C16 H23 N O2 S -","- C32 H46 N2 O4 S2 -","2","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0435","0.0367","","","0.0971","0.101","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517235","11.8178","0.0008","6.1413","0.0004","12.0958","0.0008","90","","95.858","0.005","90","","873.29","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C38 H42 N2 O6 S2 -","2","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0657","0.0422","","","0.0855","0.0939","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517247","9.6514","0.0005","13.5727","0.0008","28.8023","0.0014","90","","99.6158","0.0017","90","","3720","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","4","","Azuma, Takumi; Murata, Akihiro; Kobayashi, Yusuke; Inokuma, Tsubasa; Takemoto, Yoshiji","A Dual Arylboronic Acid-Aminothiourea Catalytic System for the Asymmetric Intramolecular Hetero-Michael Reaction of α,β-Unsaturated Carboxylic Acids.","Organic letters","2014","16","16","4256","4259","10.1021/ol501954r","","","0.71075","MoKα","","","0.0554","","","","0.1448","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517268","11.9866","0.0001","7.7683","0.0001","14.6557","0.0002","90","","110.8","","90","","1275.73","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O7 -","- C30 H40 O7 -","- C60 H80 O14 -","2","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0308","0.0305","","","0.0822","0.0825","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517272","7.7279","0.0012","7.7892","0.0009","17.775","0.003","90","","92.256","0.005","90","","1069.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O7 -","- C26 H24 O7 -","- C52 H48 O14 -","2","1","","Pudhom, Khanitha; Teerawatananond, Thapong","Rhytidenones A-F, Spirobisnaphthalenes from Rhytidhysteron sp. AS21B, an Endophytic Fungus.","Journal of natural products","2014","77","8","1962","","10.1021/np500068y","","","0.71073","MoKα","","0.0546","0.0396","","","0.0961","0.1204","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517302","12.1698","0.0011","12.3293","0.0012","26.72","0.003","90","","98.314","0.002","90","","3967.1","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H43 Br2 O0.5 P2 Pd -","- C45.5 H43 Br2 O0.5 P2 Pd -","- C182 H172 Br8 O2 P8 Pd4 -","4","2","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0695","0.0452","","","0.0866","0.0953","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517303","10.2832","0.0009","12.9507","0.0012","10.9322","0.001","90","","112.013","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 Cl2 N O P Pd -","- C25 H26 Br2 Cl2 N O P Pd -","- C50 H52 Br4 Cl4 N2 O2 P2 Pd2 -","2","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0296","0.0269","","","0.0559","0.0568","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517357","8.4484","0.0019","6.0156","0.0013","16.494","0.004","90","","104.755","0.003","90","","810.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O3 -","- C18 H17 Br O3 -","- C36 H34 Br2 O6 -","2","1","","Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J.","Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4504","4511","10.1039/C4SC01440E","","","0.71073","MoKα","","0.0281","0.025","","","0.0583","0.0599","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517373","16.5653","0.0002","7.6049","0.0001","23.1068","0.0003","90","","98.408","0.001","90","","2879.65","0.06","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50.5 N0.5 O4.5 -","- C31 H49.5 N0.5 O4.5 -","- C124 H198 N2 O18 -","4","2","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.0576","0.0545","","","0.1537","0.1582","","","","","","0.928","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1517375","8.6352","0.0001","9.5547","0.0001","22.1075","0.0003","90","","96.19","","90","","1813.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","2","","Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui","Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.","Journal of natural products","2014","77","8","1948","","10.1021/np500465g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0749","0.075","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517379","9.5735","0.0002","9.44199","0.00019","10.4447","0.0002","90","","109.162","0.002","90","","891.82","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.028","0.0276","","","0.0724","0.0728","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517380","7.67421","0.00012","12.52462","0.00016","9.64312","0.00018","90","","100.659","0.0017","90","","910.87","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C40 H56 N4 O6 -","2","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0254","0.0251","","","0.0659","0.0662","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517384","8.99959","0.00015","9.16301","0.00014","15.8136","0.0003","90","","100.223","0.0017","90","","1283.34","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O9 -","- C28 H36 O9 -","- C56 H72 O18 -","2","1","","Fu, Ying; Wu, Ping; Xue, Jinghua; Wei, Xiaoyi","Cytotoxic and Antibacterial Quinone Sesquiterpenes from a Myrothecium Fungus.","Journal of natural products","2014","77","8","1791","","10.1021/np500142g","","","1.54184","CuKα","","0.032","0.0299","","","0.0763","0.0785","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517407","13.649","0.0013","7.6848","0.0014","23.486","0.007","90","","96.889","0.018","90","","2445.7","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-{3-[((2R)-3-{[2-(2,3-Dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}-2- hydroxypropyl)oxy]-4,5-difluorophenyl}propanoic acid, hydrochloride salt","","- C25 H32 Cl F2 N O4 -","- C25 H32 Cl F2 N O4 -","- C100 H128 Cl4 F8 N4 O16 -","4","2","","Vogt, Frederick G.; Williams, Glenn R.; Strohmeier, Mark; Johnson, Matthew N.; Copley, Royston C. B.","Solid-state NMR analysis of a complex crystalline phase of ronacaleret hydrochloride.","The journal of physical chemistry. B","2014","118","34","10266","10284","10.1021/jp505061j","","","0.71073","MoKα","","0.0609","0.0423","","","0.0974","0.109","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517419","6.0935","0.0012","8.9206","0.0017","14.327","0.003","90","","100.014","0.002","90","","766.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C32 H32 Cl2 N2 O8 -","2","1","","Liu, Kang; Teng, Huai-Long; Wang, Chun-Jiang","Et3N-Catalyzed Tandem Formal [4 + 3] Annulation/Decarboxylation/Isomerization of Methyl Coumalate with Imine Esters: Access to Functionalized Azepine Derivatives.","Organic letters","2014","16","17","4508","","10.1021/ol5020569","","","0.71073","MoKα","","0.0346","0.0324","","","0.0837","0.0859","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517452","6.596","0.001","25.254","0.004","17.052","0.003","90","","91.13","0.009","90","","2839.9","0.8","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C120 H120 O48 -","12","6","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0606","","","","0.1843","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517459","12.731","0.002","15.301","0.003","13.247","0.002","90","","109.038","0.003","90","","2439.3","0.7","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","compound 4a","","","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C92 H88 Cl4 F12 N2 O14 P6 Ru2 S4 -","2","1","","Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter","Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis","Chem. Sci.","2015","6","1","693","","10.1039/C4SC02087A","","","0.71073","MoKα","","0.0838","0.0571","","","0.1098","0.1212","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517485","5.5715","0.0011","8.068","0.0016","20.262","0.004","90","","92.513","0.002","90","","909.9","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2R*,3aR*,4'S*,5'S*,6aS*,E)-4'-hydroxy-5'-((R*)-3-hydroxybutyl)- 4-((R*)-5-methyldihydrofuran-2(3H)-ylidene)hexahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5(3H)-one","","- C19 H28 O6 -","- C19 H28 O6 -","- C38 H56 O12 -","2","1","","Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi","Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.","Organic letters","2014","16","18","4695","4697","10.1021/ol502216j","","","0.71073","MoKα","","0.0305","0.0302","","","0.0857","0.0862","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517486","15.188","0.005","5.728","0.002","18.462","0.007","90","","106.78","0.005","90","","1537.7","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-((2R,3aR,4'S,5'S,6aS,E)-4'-((4-bromobenzoyl)oxy)-4- ((R)-5-methyldihydrofuran-2(3H)-ylidene)-5-oxooctahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5'-yl)butan-2-yl 4-bromobenzoate","","- C33 H34 Br2 O8 -","- C33 H34 Br2 O8 -","- C66 H68 Br4 O16 -","2","1","","Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi","Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.","Organic letters","2014","16","18","4695","4697","10.1021/ol502216j","","","0.71073","MoKα","","0.0622","0.0486","","","0.1169","0.1213","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517500","7.1926","0.0004","8.6657","0.0003","12.0477","0.0005","90","","97.974","0.005","90","","743.66","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 Br N O3 -","- C17 H12 Br N O3 -","- C34 H24 Br2 N2 O6 -","2","1","","Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.","Organic letters","2014","16","16","4244","4247","10.1021/ol501941n","","","0.71073","MoKα","","0.058","0.0419","","","0.0724","0.0806","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517506","7.5547","0.0002","13.2602","0.0003","9.458","0.0002","90","","91.7472","0.0014","90","","947.03","0.04","200","","200","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C36 H40 N4 O8 S4 -","2","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0333","0.0297","","0.0767","0.0747","0.0767","","","","","","0.9999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517507","7.5629","0.0002","23.846","0.0005","7.9703","0.0001","90","","92.1068","0.0012","90","","1436.43","0.05","200","","200","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C32 H32 N2 O4 S2 -","- C32 H32 N2 O4 S2 -","- C64 H64 N4 O8 S4 -","2","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0549","0.0383","","0.0843","0.0779","0.0843","","","","","","0.977","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517509","7.5263","0.0001","18.5552","0.0003","18.2559","0.0003","90","","101.391","0.001","90","","2499.25","0.07","200","","200","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C24 H25 Br N2 O4 S2 -","- C24 H25 Br N2 O4 S2 -","- C96 H100 Br4 N8 O16 S8 -","4","2","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0621","0.0391","","0.0799","0.0723","0.0799","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517510","14.4613","0.0007","11.6161","0.0004","15.1339","0.0008","90","","106.069","0.0017","90","","2442.9","0.2","200","","200","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C24 H25 Br N2 O4 S2 -","- C24 H25 Br N2 O4 S2 -","- C96 H100 Br4 N8 O16 S8 -","4","2","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0766","0.0542","","0.1313","0.1183","0.1313","","","","","","0.9888","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517518","8.8724","0.0003","23.5963","0.0007","9.6318","0.0003","90","","96.888","0.003","90","","2001.92","0.11","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H49 Al Cl7 N7 O7 Tc -","- C21 H49 Al Cl7 N7 O7 Tc -","- C42 H98 Al2 Cl14 N14 O14 Tc2 -","2","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0341","0.0305","","","0.0651","0.0674","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517657","9.9249","0.0004","8.819","0.0003","11.1611","0.0004","90","","105.551","0.002","90","","941.14","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Iyer, Akila; Jockusch, Steffen; Sivaguru, J.","Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.","The journal of physical chemistry. A","2014","118","45","10596","10602","10.1021/jp505678b","","","1.54178","CuKα","","0.0331","0.0315","","","0.0765","0.0776","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517658","9.9205","0.0004","8.8195","0.0003","11.1609","0.0004","90","","105.611","0.002","90","","940.49","0.06","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Iyer, Akila; Jockusch, Steffen; Sivaguru, J.","Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.","The journal of physical chemistry. A","2014","118","45","10596","10602","10.1021/jp505678b","","","1.54178","CuKα","","0.0263","0.026","","","0.0647","0.0648","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517756","11.3583","0.0007","18.9687","0.0007","11.4532","0.0005","90","","109.69","0.005","90","","2323.3","0.2","295","0.2","295","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H40 Cl2 N4 O3 P2 Re2 -","- C50 H40 Cl2 N4 O3 P2 Re2 -","- C100 H80 Cl4 N8 O6 P4 Re4 -","2","1","","B. Machura; M. Wolff; J. Palion; E. Benoist","Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties","Inorganica Chimica Acta","2013","404","","144","154","","","","0.71073","MoKα","","0.0436","0.0375","","","0.0728","0.0759","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517767","11.1666","0.0006","25.646","0.0012","11.1679","0.0006","90","","99.532","0.002","90","","3154.1","0.3","100","1","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H68 O32 Zr7 -","- C54 H68 O32 Zr7 -","- C108 H136 O64 Zr14 -","2","1","","Lars Orzechowski; Joachim Roll","Synthesis and Crystal Structure of [Cp3Zr3(u2-O2CH)3(u2-OH)3(u3-O)]2 [CpZr(O2CH)5] and [Cp3Zr3(u2-O2CH)3(u2-OH)3(u3-O)] [B(C6F5)4]","Inorganica Chimica Acta","2013","404","","192","196","","","","0.71073","MoKα","","0.0197","0.0191","","","0.0415","0.0417","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517775","10.2957","0.0011","7.0518","0.0014","15.9392","0.0019","90","","96.954","0.003","90","","1148.7","0.3","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 Cu N O4 -","- C13 H11 Cu N O4 -","- C52 H44 Cu4 N4 O16 -","4","2","","Yi Gou; Miao Yu; Yuguang Li; Yuhuai Peng; Wu Chen","Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine","Inorganica Chimica Acta","2013","404","","224","229","","","","0.71073","MoKα","","0.0689","0.0571","","","0.1027","0.1051","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517780","15.9142","0.0007","7.9235","0.0004","20.8037","0.001","90","","106.326","0.003","90","","2517.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H48 N4 S4 -","- C65 H48 N4 S4 -","- C130 H96 N8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.078","0.0557","","","0.1379","0.1511","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517787","9.2797","0.0008","7.6305","0.0005","12.3433","0.0009","90","","96.185","0.006","90","","868.93","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Islam, Kobirul; Das, Deb K.; Khan, Abu T.","Hydrated ferric sulfate catalyzed synthesis of 5,6-unsubstituted 1,4-dihydropyridines using three-component reaction","Tetrahedron Letters","2014","55","41","5613","5617","10.1016/j.tetlet.2014.08.067","","","0.71073","MoKα","","0.1072","0.0903","","","0.2634","0.2762","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517801","5.7333","0.0004","11.7399","0.0009","11.8211","0.0009","90","","101.702","0.004","90","","779.12","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Maji, Tapan; Tunge, Jon A.","Catalytic α-Monoallylation of Aryl Acetonitriles.","Organic letters","2014","16","19","5072","5075","10.1021/ol5024294","","","1.54178","CuKα","","0.0474","0.0455","","","0.1206","0.1221","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517815","11.9525","0.0006","7.8235","0.0005","16.048","0.001","90","","108.111","0.007","90","","1426.31","0.16","294.29","0.1","294.29","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N2 O7 S -","- C30 H29 Cl N2 O7 S -","- C60 H58 Cl2 N4 O14 S2 -","2","1","","Yang, Yu-Jie; Zhang, Hai-Rui; Zhu, Shi-Ya; Zhu, Ping; Hui, Xin-Ping","Highly Stereoselective Synthesis of Functionalized Pyrrolo[3,2-c]quinolines via N-Heterocyclic Carbene Catalyzed Cascade Sequence.","Organic letters","2014","16","19","5048","5051","10.1021/ol5023917","","","0.71","MoKα","","0.0552","0.0441","","","0.0896","0.0994","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517816","8.97246","0.00007","14.38622","0.00013","10.17414","0.00008","90","","100.045","0.0008","90","","1293.15","0.019","99.9","0.14","99.9","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","x-ray","1.54184","CuKα","","0.035","0.0346","","","0.0959","0.0965","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517817","10.5399","0.00016","16.39067","0.00019","10.65777","0.00014","90","","102.33","0.0014","90","","1798.72","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0407","0.0355","","","0.0915","0.1107","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517877","12.3145","0.0003","26.4751","0.0006","14.4338","0.0003","90","","107.168","0.002","90","","4496.14","0.18","123","1","123","1","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C146 H128 Cl12 F48 Fe4 Hg12 P20 -","4","2","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0295","0.0237","","","0.0384","0.0387","","","","","","0.86","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517889","5.7962","0.0003","29.2094","0.0014","15.6928","0.0008","90","","97.272","0.003","90","","2635.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","HM-II-156A-needles","tostediazene","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C120 H120 N12 O18 -","6","3","","Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D.","Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","170","173","10.1039/C4SC02494J","","","1.54178","CuKα","","0.0448","0.0431","","","0.111","0.1126","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1517890","10.369","0.007","5.883","0.009","12.35","0.008","90","","102.52","0.01","90","","735.4","1.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N0 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Yin, Guo-Ping; Li, Liang-Chun; Zhang, Qing-Zhe; An, Yue-Wei; Zhu, Jing-Jing; Wang, Zhi-Min; Chou, Gui-Xin; Wang, Zheng-Tao","iNOS Inhibitory Activity of Sesquiterpenoids and a Monoterpenoid from the Rhizomes of Curcuma wenyujin.","Journal of natural products","2014","77","10","2161","2169","10.1021/np400984c","","","1.54178","CuKα","","0.0569","0.0538","","","0.1478","0.1565","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517900","14.053","0.002","6.2308","0.0009","14.438","0.002","90","","95.626","0.003","90","","1258.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Br Cl O6 -","- C28 H24 Br Cl O6 -","- C56 H48 Br2 Cl2 O12 -","2","1","","Meninno, Sara; Fuoco, Tiziana; Tedesco, Consiglia; Lattanzi, Alessandra","Straightforward Enantioselective Access to γ-Butyrolactones Bearing an All-Carbon β-Quaternary Stereocenter.","Organic letters","2014","16","18","4746","4749","10.1021/ol502148a","","","0.71073","MoKα","","0.1182","0.0608","","","0.132","0.1902","","","","","","0.75","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517907","7.6582","0.0004","6.5979","0.0003","26.7169","0.0014","90","","96.346","0.002","90","","1341.68","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C60 H84 O8 -","2","1","","Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei","Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.","Organic letters","2014","16","19","5092","5095","10.1021/ol502441n","","","0.71073","MoKα","","0.0542","0.0424","","","0.1013","0.1074","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517924","6.1206","0.0002","14.3568","0.0004","10.8114","0.0003","90","","97.956","0.001","90","","940.88","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C42 H48 N4 O14 -","2","1","","Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei","Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.","Organic letters","2014","16","19","5016","5019","10.1021/ol502307u","","","1.54178","CuKα","","0.0376","0.0376","","","0.1112","0.1112","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517925","8.8619","0.0005","7.5272","0.0005","12.6082","0.0008","90","","90.851","0.003","90","","840.94","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei","Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.","Organic letters","2014","16","19","5016","5019","10.1021/ol502307u","","","1.54178","CuKα","","0.0832","0.0828","","","0.2086","0.2099","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517927","7.483","0.002","9.48","0.003","24.88","0.007","90","","97.096","0.003","90","","1751.4","0.9","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Didodecyloxy-3-methylazobenzene","","","- C37 H60 N2 O2 -","- C37 H60 N2 O2 -","- C74 H120 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0867","0.0496","","","0.1431","0.2018","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517934","10.383","0.0011","10.0793","0.0011","12.2195","0.0013","90","","93.307","0.008","90","","1276.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O7 -","- C29 H32 O7 -","- C58 H64 O14 -","2","1","","Liu, Long; Wang, Cheng-Qian; Liu, Dan; He, Wei-Gang; Xu, Jin-Yi; Lin, Ai-Jun; Yao, He-Quan; Tanabe, Genzoh; Muraoka, Osamu; Xie, Wei-Jia; Wu, Xiao-Ming","Construction of 3,6-Anhydrohexosides via Intramolecular Cyclization of Triflates and Its Application to the Synthesis of Natural Product Isolated from Leaves of Sauropus rostratus.","Organic letters","2014","16","19","5004","5007","10.1021/ol5022838","","","1.54178","CuKα","","0.0382","0.0314","","","0.0879","0.0926","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517945","10.1059","0.0009","20.1867","0.0017","17.7321","0.0016","90","","104.134","0.002","90","","3507.9","0.5","147","2","147","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C83 H64 Cl2 N4 O8 P4 Rh2 -","- C83 H64 Cl2 N4 O8 P4 Rh2 -","- C166 H128 Cl4 N8 O16 P8 Rh4 -","2","1","","Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo","Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.","Organic letters","2014","16","20","5490","5493","10.1021/ol502772m","","","0.71073","MoKα","","0.0327","0.0277","","","0.0661","0.0683","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517948","10.5974","0.0008","8.8771","0.0006","11.6962","0.0009","90","","93.9888","0.0019","90","","1097.65","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H20 F2 N2 O -","- C29 H20 F2 N2 O -","- C58 H40 F4 N4 O2 -","2","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.0455","0.0382","","","0.0877","0.0938","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517958","9.7042","0.0013","4.9681","0.0007","13.5275","0.0019","90","","93.494","0.002","90","","650.97","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N6 O7 -","- C8 H12 N6 O7 -","- C16 H24 N12 O14 -","2","1","","Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli","Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity","The Journal of Physical Chemistry C","2014","","","141007164223007","","10.1021/jp5062418","","","0.71073","MoKα","","0.0417","0.0359","","","0.1034","0.1107","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517968","12.9385","0.0001","7.6586","0.0001","13.3685","0.0002","90","","117.233","0.001","90","","1177.86","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O9 -","- C27 H34 O9 -","- C54 H68 O18 -","2","1","","Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides.","Organic letters","2014","16","20","5478","5481","10.1021/ol5027552","","","1.54178","CuKα","","0.0375","0.0372","","","0.0971","0.0975","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517969","12.9928","0.0002","8.2074","0.0001","13.2455","0.0002","90","","99.287","0.001","90","","1393.95","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O10 -","- C29 H36 O10 -","- C58 H72 O20 -","2","1","","Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides.","Organic letters","2014","16","20","5478","5481","10.1021/ol5027552","","","1.54178","CuKα","","0.0299","0.0296","","","0.0773","0.0777","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517975","12.4127","0.001","9.7948","0.0008","15.3247","0.0013","90","","90.878","0.007","90","","1863","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","2","","Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang","Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.","Organic letters","2014","16","20","5398","5401","10.1021/ol502602t","","","1.54178","CuKα","","0.0819","0.0529","","","0.1113","0.1275","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517976","11.1288","0.0011","20.891","0.002","13.4526","0.0013","90","","111.287","0.001","90","","2914.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 S Si -","- C29 H45 N O4 S Si -","- C116 H180 N4 O16 S4 Si4 -","4","2","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.051","0.0431","","","0.1052","0.1093","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517979","6.8436","0.0004","26.8023","0.0014","8.3932","0.0005","90","","90.9","0.0013","90","","1539.33","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-((1-(naphthalen-2-yl)ethyl)carbamoyl)picolinic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0268","0.0255","","","0.0664","0.0673","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517980","6.8507","0.0004","26.777","0.0017","8.4103","0.0005","90","","90.84","0.002","90","","1542.63","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0338","0.0321","","","0.0857","0.087","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517981","5.4249","0.0002","16.5948","0.0006","11.417","0.0004","90","","98.277","0.002","90","","1017.11","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.0307","0.0306","","","0.0806","0.0808","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517982","5.4288","0.0002","16.6067","0.0006","11.4114","0.0004","90","","98.2867","0.0018","90","","1018.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.031","0.0309","","","0.0762","0.0763","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518013","5.844","0.005","24.19","0.005","17.139","0.005","90","0.005","98.979","0.005","90","0.005","2393","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N3 O3 S -","- C26 H19 N3 O2 S -","- C104 H76 N12 O8 S4 -","4","2","","Rout, Subhrajit; Ray, Sumit K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Asymmetric direct vinylogous Michael addition to 2-enoylpyridine N-oxides catalyzed by bifunctional thio-urea.","Organic letters","2014","16","21","5568","5571","10.1021/ol5025794","","","0.71069","MoKα","","0.1002","0.0727","","","0.1871","0.2208","","","","","","1.078","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518047","6.1577","0.0001","16.993","0.0003","7.443","0.0001","90","","91.874","0.001","90","","778.4","0.02","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H20 Cl F2 N3 O5 -","- C12 H20 Cl F2 N3 O5 -","- C24 H40 Cl2 F4 N6 O10 -","2","1","","Tambutet, Guillaume; Becerril-Jiménez, Fabiola; Dostie, Starr; Simard, Ryan; Prévost, Michel; Mochirian, Philippe; Guindon, Yvan","Dual-face nucleoside scaffold featuring a stereogenic all-carbon quaternary center. Intramolecular silicon tethered group-transfer reaction.","Organic letters","2014","16","21","5698","5701","10.1021/ol502777r","","x-ray","1.54178","CuKα","","0.023","0.0229","","","0.0604","0.0605","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518063","8.5383","0.0005","5.9356","0.0004","27.0049","0.0016","90","","92.912","0.005","90","","1366.84","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.1249","0.1218","","","0.3002","0.3028","","","","","","1.337","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518065","5.9203","0.0003","16.7817","0.0008","13.9222","0.0007","90","","92.625","0.005","90","","1381.76","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.1201","0.0708","","","0.1125","0.1371","","","","","","1.03","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518066","7.1266","0.0004","11.183","0.0005","8.7503","0.0005","90","","105.47","0.006","90","","672.11","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","1.54184","CuKα","","0.0568","0.0509","","","0.1136","0.1178","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518077","10.162","0.003","12.396","0.003","9.499","0.003","90","","118.5","0.1","90","","1051.6","1.1","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- As2 Ba2 Se5 -","- As2 Ba2 Se5 -","- As8 Ba8 Se20 -","4","2","","Cordier, Gerhard; Schwidetzky, Cristoph; Schafer, Herbert","Darstellung und struktur von Ba2As2Se5","Revue de Chimie Minerale","1985","22","","93","100","","","x-ray","0.71069","MoKα","","","","","","0.089","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518125","9.9016","0.0002","10.9184","0.0002","19.2975","0.0004","90","","102.826","0.001","90","","2034.19","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 F N6 O3 -","- C21 H25 F N6 O3 -","- C84 H100 F4 N24 O12 -","4","2","","Grillot, Anne-Laure; Le Tiran, Arnaud; Shannon, Dean; Krueger, Elaine; Liao, Yusheng; O'Dowd, Hardwin; Tang, Qing; Ronkin, Steve; Wang, Tiansheng; Waal, Nathan; Li, Pan; Lauffer, David; Sizensky, Emmanuelle; Tanoury, Jerry; Perola, Emanuele; Grossman, Trudy H.; Doyle, Tim; Hanzelka, Brian; Jones, Steven; Dixit, Vaishali; Ewing, Nigel; Liao, Shengkai; Boucher, Brian; Jacobs, Marc; Bennani, Youssef; Charifson, Paul S.","Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.","Journal of medicinal chemistry","2014","57","21","8792","8816","10.1021/jm500563g","","","1.54178","CuKα","","0.0371","0.0338","","","0.0851","0.0871","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518132","10.5788","0.001","7.7312","0.0007","10.8099","0.001","90","","90.385","0.001","90","","884.09","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong","Indole alkaloids with new skeleton activating neural stem cells.","Organic letters","2014","16","21","5808","5811","10.1021/ol5029223","","","0.71073","MoKα","","0.0318","0.031","","","0.0836","0.0843","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518133","10.2476","0.0004","7.3019","0.0003","10.2973","0.0004","90","","94.765","0.001","90","","767.85","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C38 H48 N4 O2 -","2","1","","Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong","Indole alkaloids with new skeleton activating neural stem cells.","Organic letters","2014","16","21","5808","5811","10.1021/ol5029223","","","1.54178","CuKα","","0.051","0.051","","","0.1448","0.1448","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518143","8.3745","0.0004","10.0838","0.0005","14.5833","0.0007","90","","103.496","0.003","90","","1197.51","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N2 O4 -","- C13 H9 N2 O4 -","- C52 H36 N8 O16 -","4","2","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0834","","","","0.21","","","","","","0.706","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518145","7.1667","0.0004","5.2718","0.0003","15.7374","0.0009","90","","101.26","0.003","90","","583.14","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0354","","","","0.1047","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518146","7.1322","0.0004","5.2282","0.0003","15.7662","0.0009","90","","101.237","0.003","90","","576.63","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0501","","","","0.1089","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518153","16.5841","0.0003","6.431","0.0001","18.0484","0.0004","90","","104.578","0.002","90","","1862.93","0.06","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C80 H88 Br4 N4 O12 -","4","2","","Zhan, Gu; He, Qing; Yuan, Xin; Chen, Ying-Chun","Asymmetric direct vinylogous Michael additions of allyl alkyl ketones to maleimides through dienamine catalysis.","Organic letters","2014","16","22","6000","6003","10.1021/ol503017h","","","1.54184","CuKα","","0.058","0.0528","","","0.1552","0.1625","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518191","13.627","0.0006","20.5145","0.0007","13.926","0.0006","90","","116.816","0.006","90","","3474.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H105 K O8 -","- C75 H105 K O8 -","- C150 H210 K2 O16 -","2","1","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","0.71073","MoKα","","0.084","0.0599","","","0.1216","0.1418","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518236","6.0994","0.0017","22.475","0.006","11.962","0.004","90","","91.895","0.005","90","","1638.9","0.8","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H27 N O4 S -","- C13 H27 N O4 S -","- C52 H108 N4 O16 S4 -","4","2","","Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A.","Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.","Journal of medicinal chemistry","2014","57","22","9644","9657","10.1021/jm501399d","","","0.71073","MoKα","","0.167","0.0828","","","0.1511","0.189","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518269","9.584","0.003","4.1885","0.0011","11.089","0.003","90","","93.215","0.004","90","","444.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H6 Br N O -","- C9 H6 Br N O -","- C18 H12 Br2 N2 O2 -","2","1","","Chen, Wenwen; Wang, Bo; Liu, Nan; Huang, Dayun; Wang, Xinyan; Hu, Yuefei","Tandem Synthesis of 3-Halo-5-Substituted Isoxazoles from 1-Copper(I) Alkynes and Dihaloformaldoximes.","Organic letters","2014","16","23","6140","","10.1021/ol503008t","","","0.71073","MoKα","","0.1128","0.0474","","","0.09","0.1094","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518273","6.3758","0.0001","7.2968","0.0003","23.1833","0.0009","90","","90.148","0.005","90","","1078.55","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 N O5 S Si -","- C19 H31 N O5 S Si -","- C38 H62 N2 O10 S2 Si2 -","2","1","","Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.","Organic letters","2014","16","23","6104","","10.1021/ol5029496","","x-ray","0.71069","MoKα","","0.0602","0.0452","","","0.086","0.0926","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518274","7.0702","0.0006","12.6435","0.0005","12.345","0.001","90","","95.852","0.003","90","","1097.79","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H28 Br N O4 S Si -","- C18 H28 Br N O4 S Si -","- C36 H56 Br2 N2 O8 S2 Si2 -","2","1","","Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.","Organic letters","2014","16","23","6104","","10.1021/ol5029496","","","0.71073","MoKα","","0.0791","0.045","","","0.0975","0.1248","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518276","6.7037","0.0001","10.0938","0.0002","9.5452","0.0002","90","","108.132","0.001","90","","613.81","0.02","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0341","0.0324","","","0.0785","0.0796","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518281","15.5983","0.0006","12.4215","0.0003","16.8136","0.0007","90","","117.23","0.005","90","","2896.7","0.2","200","","200","","","","","","","","see text","3","P 1 21 1","P 2yb","4","Vaticanol B permethyl analog","","","- C66 H62 O12 -","- C66 H62 O12 -","- C132 H124 O24 -","2","1","","Davis, Rohan A.; Beattie, Karren D.; Xu, Min; Yang, Xinzhou; Yin, Sheng; Holla, Harish; Healy, Peter C.; Sykes, Melissa; Shelper, Todd; Avery, Vicky M.; Elofsson, Mikael; Sundin, Charlotta; Quinn, Ronald J.","Solving the Supply of Resveratrol Tetramers from Papua New Guinean Rainforest Anisoptera Species That Inhibit Bacterial Type III Secretion Systems.","Journal of natural products","2014","77","12","2633","2640","10.1021/np500433z","","x-ray","0.7107","MoKα","","0.1173","0.0572","","","0.1337","0.1498","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518292","9.1715","0.0007","6.5653","0.0004","11.0048","0.0009","90","","92.975","0.001","90","","661.75","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui","Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.","Organic letters","2014","16","23","6052","","10.1021/ol503046u","","","1.54178","CuKα","","0.0354","0.0339","","","0.0864","0.0878","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518293","6.9819","0.0007","7.4115","0.0006","15.405","0.0011","90","","93.279","0.006","90","","795.85","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C34 H52 O6 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui","Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.","Organic letters","2014","16","23","6052","","10.1021/ol503046u","","","1.54178","CuKα","","0.1264","0.0683","","","0.1234","0.1538","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518299","9.7368","0.0011","10.0377","0.0011","10.8538","0.0012","90","","98.496","0.0013","90","","1049.2","0.2","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C44 H56 O16 -","2","1","","Yun, Young Sook; Fukaya, Haruhiko; Nakane, Takahisa; Takano, Akihito; Takahashi, Shigeru; Takahashi, Yuji; Inoue, Hideshi","A New Bis-seco-abietane Diterpenoid from Hyptis crenata Pohl ex Benth.","Organic letters","2014","16","23","6188","","10.1021/ol503086n","","","0.71073","MoKα","","0.034","0.0313","","","0.0708","0.0726","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518304","13.8842","0.0006","5.6862","0.0002","14.2638","0.0006","90","","108.43","0.001","90","","1068.35","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C52 H42 Cl2 N4 O4 -","2","1","","Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin","H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.","Organic letters","2014","16","23","6112","","10.1021/ol502965p","","","0.71073","MoKα","","0.0832","0.0475","","","0.0963","0.1138","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518305","6.6247","0.0004","4.8406","0.0003","17.9155","0.001","90","","90.42","0.002","90","","574.49","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C24 H28 N4 O4 S2 -","2","1","","Baumann, Marcus; Baxendale, Ian R.","Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.","Organic letters","2014","16","23","6076","","10.1021/ol502845h","","x-ray","0.71073","MoKα","","0.0354","0.0325","","","0.0776","0.0794","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518342","9.7143","0.0001","22.5934","0.0001","12.6641","0.0001","90","","106.703","0.001","90","","2662.23","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-dibenzyl-6-(3-(2-bromophenyl)-3-oxo-1-phenylpropyl)piperazine-2,3,5-trione","","- C33 H27 Br N2 O4 -","- C33 H27 Br N2 O4 -","- C132 H108 Br4 N8 O16 -","4","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0187","0.0185","","","0.0475","0.0477","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518345","12.14306","0.00017","6.28576","0.00007","13.0165","0.0002","90","","108.566","0.0017","90","","941.82","0.02","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0304","0.0281","","","0.069","0.0706","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518377","7.8491","0.0004","6.205","0.0004","11.2346","0.0006","90","","95.747","0.003","90","","544.42","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0243","0.0242","","","0.0638","0.0639","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518385","7.695","0.0002","20.3926","0.0004","9.0759","0.0002","90","","103.862","0.002","90","","1382.72","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H42 O6 -","- C33 H42 O6 -","- C66 H84 O12 -","2","1","","Tian, Wen-Jing; Qiu, Yu-Qin; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng","Dioxasampsones A and B, two polycyclic polyprenylated acylphloroglucinols with unusual epoxy-ring-fused skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6346","6349","10.1021/ol503122m","","","1.54178","CuKα","","0.0319","0.0306","","","0.0898","0.0928","","","","","","0.797","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518386","10.4239","0.0002","8.4186","0.0002","14.8476","0.0003","90","","102.195","0.002","90","","1273.54","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","vernavosine","","","- C24 H33 I N2 O5 -","- C24 H33 I N2 O5 -","- C48 H66 I2 N4 O10 -","2","1","","Nge, Choy-Eng; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Criofolinine and vernavosine, new pentacyclic indole alkaloids incorporating pyrroloazepine and pyridopyrimidine moieties derived from a common yohimbine precursor.","Organic letters","2014","16","24","6330","6333","10.1021/ol503072g","","","0.71073","MoKα","","0.0502","0.0382","","","0.0876","0.1011","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518395","11.1559","0.0002","10.7765","0.0002","11.6429","0.0002","90","","96.22","","90","","1391.49","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H40 O5 -","- C33 H40 O5 -","- C66 H80 O10 -","2","1","","Zhu, Hucheng; Chen, Chunmei; Yang, Jing; Li, Xiao-Nian; Liu, Junjun; Sun, Bin; Huang, Sheng-Xiong; Li, Dongyan; Yao, Guangmin; Luo, Zengwei; Li, Yan; Zhang, Jinwen; Xue, Yongbo; Zhang, Yonghui","Bioactive acylphloroglucinols with adamantyl skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6322","6325","10.1021/ol5030579","","","1.54178","CuKα","","0.0276","0.0276","","","0.0723","0.0723","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518399","10.77","0.002","14.24","0.003","11.19","0.002","90","","91","0.03","90","","1715.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","2","","Yan, Hong; Rong, Guangwei; Liu, Defu; Zheng, Yang; Chen, Jie; Mao, Jincheng","Stereoselective intermolecular nitroaminoxylation of terminal aromatic alkynes: trapping alkenyl radicals by TEMPO.","Organic letters","2014","16","24","6306","6309","10.1021/ol5030585","","","0.71073","MoKα","","0.0982","0.061","","","0.126","0.144","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518414","10.4672","0.0015","6.4647","0.0009","17.515","0.002","90","","107.273","0.009","90","","1131.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Nishiwaki, Hisashi; Fujiwara, Satomi; Wukirsari, Tuti; Iwamoto, Hiroyuki; Mori, Shigeki; Nishi, Kosuke; Sugahara, Takuya; Yamauchi, Satoshi; Shuto, Yoshihiro","Revised Stereochemistry of Ficifolidione and Its Biological Activities against Insects and Cells","Journal of Natural Products","2014","","","141212125500007","","10.1021/np5006746","","","1.54187","CuKα","","0.0734","0.0588","","","0.1382","0.1577","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518415","6.121","0.0003","17.2462","0.0009","10.9175","0.0006","90","","101.537","0.007","90","","1129.21","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Nishiwaki, Hisashi; Fujiwara, Satomi; Wukirsari, Tuti; Iwamoto, Hiroyuki; Mori, Shigeki; Nishi, Kosuke; Sugahara, Takuya; Yamauchi, Satoshi; Shuto, Yoshihiro","Revised Stereochemistry of Ficifolidione and Its Biological Activities against Insects and Cells","Journal of Natural Products","2014","","","141212125500007","","10.1021/np5006746","","","1.54187","CuKα","","0.0468","0.0444","","","0.109","0.1109","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518418","9.834","0.0006","19.1669","0.0011","12.3417","0.0007","90","","106.885","0.001","90","","2226","0.2","99","2","99","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(CNPh)(1a)]BF4)2","","","- C48 H44 B2 F8 Fe N4 P2 -","- C48 H44 B2 F8 Fe N4 P2 -","- C96 H88 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Mezzetti, Antonio","Isonitrile iron(II) complexes with chiral N2P2 macrocycles in the enantioselective transfer hydrogenation of ketones.","Organic letters","2014","16","24","6460","6463","10.1021/ol503295c","","","0.71073","MoKα","","0.0333","0.029","","","0.0708","0.073","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518481","4.6451","0.0003","11.3065","0.0008","12.3885","0.0007","90","","94.458","0.002","90","","648.67","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O6 -","- C12 H13 Cl O6 -","- C24 H26 Cl2 O12 -","2","1","","Wu, Jing; Tokunaga, Taiki; Kondo, Mitsuru; Ishigami, Kota; Tokuyama, Shinji; Suzuki, Tomohiro; Choi, Jae-Hoon; Hirai, Hirofumi; Kawagishi, Hirokazu","Erinaceolactones A to C, from the Culture Broth of Hericium erinaceus.","Journal of natural products","2015","78","1","155","158","10.1021/np500623s","","","0.71075","MoKα","","","0.0555","","","","0.1384","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518491","8.8649","0.0008","20.8055","0.0019","9.1083","0.0008","90","","101.487","0.003","90","","1646.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H37 Co2 N3 O5 P2 Si -","- C29.97 H34.91 Co2 N3 O5 P2 Si -","- C59.94 H69.82 Co4 N6 O10 P4 Si2 -","2","1","","Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier","Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.","Organic letters","2015","17","2","250","253","10.1021/ol503329g","","","0.71073","MoKα","","0.0234","0.0225","","","0.0584","0.0591","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518517","10.352","0.0004","7.212","0.0001","13.32","0.0009","90","","110.332","0.002","90","","932.49","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","TriboI","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0587","0.0423","","","0.1264","0.1431","","","","","","0.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518568","10.9519","0.0005","18.6953","0.0007","14.864","0.0006","90","","100.907","0.003","90","","2988.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 N5 O8 S -","- C31 H37 N5 O8 S -","- C124 H148 N20 O32 S4 -","4","2","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","1.54178","CuKα","","0.0692","0.0591","","","0.1409","0.1474","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518581","10.68","0.002","10.806","0.002","12.352","0.003","90","","107.01","0.03","90","","1363.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","2","","Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.","A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.","Organic letters","2015","17","3","572","575","10.1021/ol503591d","","","0.71073","MoKα","","0.1563","0.0782","","","0.1602","0.1916","","","","","","0.997","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518582","6.5754","0.0013","10.311","0.002","11.071","0.002","90","","95.19","0.03","90","","747.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N O3 -","- C17 H14 F N O3 -","- C34 H28 F2 N2 O6 -","2","1","","Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.","A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.","Organic letters","2015","17","3","572","575","10.1021/ol503591d","","","0.71073","MoKα","","0.0874","0.0513","","","0.1237","0.1395","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518598","8.4256","0.0012","21.123","0.003","13.804","0.002","90","","95.055","0.007","90","","2447.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H26 B F21 P2 -","- C58 H26 B F21 P2 -","- C116 H52 B2 F42 P4 -","2","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1033","0.048","","","0.0713","0.0852","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518645","12.8948","0.0011","9.7854","0.0008","18.3889","0.0016","90","","94.667","0.006","90","","2312.6","0.3","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C96 H140 N12 O8 -","4","2","","Li, Xun; Taechalertpaisarn, Jaru; Xin, Dongyue; Burgess, Kevin","Protein-Protein Interface Mimicry by an Oxazoline Piperidine-2,4-dione.","Organic letters","2015","17","3","632","635","10.1021/ol5036547","","x-ray","1.54178","CuKα","","0.1065","0.0694","","","0.1565","0.1819","","","","","","1.041","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518647","18.0919","0.0007","10.7097","0.0004","18.935","0.0007","90","","107.979","0.002","90","","3489.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O7 Si -","- C33 H44 N2 O7 Si -","- C132 H176 N8 O28 Si4 -","4","2","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","0.71073","MoKα","","0.1851","0.0874","","","0.1825","0.2369","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518651","7.6192","0.0007","12.0803","0.0011","14.0233","0.0012","90","","102.158","0.001","90","","1261.8","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O2 -","- C31 H27 N3 O2 -","- C62 H54 N6 O4 -","2","1","","Pertejo, Pablo; Corres, Nazaret; Torroba, Tomás; García-Valverde, María","Reversal of Diastereoselectivity in the Synthesis of Peptidomimetic 3-Carboxamide-1,4-benzodiazepin-5-ones.","Organic letters","2015","17","3","612","615","10.1021/ol503628r","","","0.71073","MoKα","","0.0392","0.0381","","","0.1007","0.102","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518652","11.3323","0.0004","8.5548","0.0003","14.1288","0.0005","90","","92.453","0.001","90","","1368.47","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O7 -","- C30 H38 N2 O7 -","- C60 H76 N4 O14 -","2","1","","Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.","Organic letters","2015","17","3","644","647","10.1021/ol503666b","","","1.54178","CuKα","","0.056","0.0552","","","0.1521","0.1529","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518653","13.4499","0.0006","7.46","0.0004","14.9726","0.0007","90","","104.948","0.002","90","","1451.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O7 -","- C32 H36 N2 O7 -","- C64 H72 N4 O14 -","2","1","","Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.","Organic letters","2015","17","3","644","647","10.1021/ol503666b","","","1.54178","CuKα","","0.1064","0.0907","","","0.2211","0.2412","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518654","13.4566","0.0003","8.18811","0.00015","19.1862","0.0004","90","","100.629","0.0007","90","","2077.74","0.07","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H59 F3 O10 -","- C42 H59 F3 O10 -","- C84 H118 F6 O20 -","2","1","","Inahashi, Yuki; Iwatsuki, Masato; Ishiyama, Aki; Matsumoto, Atsuko; Hirose, Tomoyasu; Oshita, Jun; Sunazuka, Toshiaki; Panbangred, Watanalai; Takahashi, Yoko; Kaiser, Marcel; Otoguro, Kazuhiko; O̅mura, Satoshi","Actinoallolides A-E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036.","Organic letters","2015","17","4","864","867","10.1021/ol5037216","","","1.54187","CuKα","","","0.0279","","","","0.0702","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518658","8.2102","0.0016","6.2167","0.0012","14.102","0.003","90","","90.69","0.03","90","","719.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Lou, Yan-Peng; Zheng, Chang-Wu; Pan, Ren-Ming; Jin, Qiao-Wen; Zhao, Gang; Li, Zhong","Enantioselective Direct Mannich Reactions of Cyclic β-Ketoesters Catalyzed by Chiral Phosphine via a Novel Dual-Reagent Catalysis.","Organic letters","2015","17","3","688","691","10.1021/ol503712m","","","1.54178","CuKα","","0.0374","0.0373","","","0.0975","0.0976","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518673","13.6507","0.0006","10.3032","0.0003","13.9805","0.0006","90","","109.803","0.005","90","","1850.02","0.14","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 N2 O9 S -","- C33 H48 N2 O9 S -","- C66 H96 N4 O18 S2 -","2","1","","Shen, Hongyun; Shen, Chao; Chen, Chao; Wang, Anming; Zhang, Pengfei","Novel glycosyl pyridyl-triazole@palladium nanoparticles: efficient and recoverable catalysts for C‒C cross-coupling reactions","Catal. Sci. Technol.","2015","5","4","2065","","10.1039/C5CY00013K","","","0.71073","MoKα","","0.1119","0.0653","","","0.1717","0.1906","","","","","","0.918","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1518693","12.6259","0.0006","5.511","0.0002","13.3809","0.0006","90","","107.086","0.003","90","","889.97","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0559","0.0446","","","0.0976","0.1049","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518697","12.03","0.002","5.6222","0.0009","13.018","0.002","90","","107.387","0.008","90","","840.2","0.2","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.1523","0.0992","","","0.1557","0.1723","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518762","9.7834","0.0007","20.8414","0.0016","12.0955","0.0009","90","","102.57","0.0019","90","","2407.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0329","0.0291","","","0.0656","0.0675","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518763","9.7979","0.0013","20.819","0.003","12.0998","0.0016","90","","102.659","0.003","90","","2408.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0348","0.0293","","","0.0687","0.0718","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518766","9.7682","0.0007","20.7583","0.0015","12.0575","0.0009","90","","103.126","0.0017","90","","2381","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe Ni2 O14 -","- C35 H25 F24 Fe Ni2 O14 -","- C70 H50 F48 Fe2 Ni4 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.045","0.0349","","","0.0657","0.0698","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518846","5.928","0.0004","7.6682","0.0005","11.3533","0.0008","90","","95.944","0.003","90","","513.31","0.06","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H9 Br Cl N O2 -","- C10 H9 Br Cl N O2 -","- C20 H18 Br2 Cl2 N2 O4 -","2","1","","Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao","Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion","Chem. Sci.","2015","6","5","3044","","10.1039/C5SC00221D","","","0.71073","MoKα","","0.0283","0.0264","","","0.054","0.0544","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518871","5.594","0.00016","47.1662","0.0011","9.2545","0.0003","90","","103.425","0.003","90","","2375.06","0.12","279.88","0.1","279.88","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Xu, Bingjia; He, Jiajun; Mu, Yingxiao; Zhu, Qiangzhong; Wu, Sikai; Wang, Yifan; Zhang, Yi; Jin, Chongjun; Lo, Changcheng; Chi, Zhenguo; Lien, Alan; Liu, Siwei; Xu, Jiarui","Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission","Chem. Sci.","2015","6","5","3236","","10.1039/C5SC00466G","","","1.54184","CuKα","","0.066","0.0566","","","0.1381","0.1437","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518917","11.97738","0.00016","19.6767","0.0003","14.88601","0.00019","90","","98.107","0.0012","90","","3473.2","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H96 Br4 Cl4 P6 S4 W3 -","- C51 H96 Br4 Cl4 P6 S4 W3 -","- C102 H192 Br8 Cl8 P12 S8 W6 -","2","1","","Eva M. Guillamon; Marta Blasco; Rosa Llusar","Enantioselective synthesis of tungsten trimetallic cluster chalcogenides","Inorganica Chimica Acta","2015","424","","248","253","","","","0.71073","MoKα","","0.0358","0.0333","","","0.0819","0.084","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518919","12.02802","0.00015","24.0309","0.0003","12.3079","0.0002","90","","90.6703","0.0014","90","","3557.28","0.09","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H88 Br4 Cl4 P6 S4 W3 -","- C56 H88 Br4 Cl4 P6 S4 W3 -","- C112 H176 Br8 Cl8 P12 S8 W6 -","2","1","","Eva M. Guillamon; Marta Blasco; Rosa Llusar","Enantioselective synthesis of tungsten trimetallic cluster chalcogenides","Inorganica Chimica Acta","2015","424","","248","253","","","","0.71073","MoKα","","0.067","0.0509","","","0.1125","0.127","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518942","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518943","11.0079","0.0002","6.36439","0.00012","13.7975","0.001","90","","110.712","0.008","90","","904.16","0.08","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0313","","","","0.0816","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518947","9.0634","0.0015","5.8062","0.0011","9.8369","0.0015","90","","90.567","0.012","90","","517.63","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C20 H18 F6 N4 O2 -","2","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0684","0.0436","","","0.1306","0.1464","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518986","9.2686","0.0002","7.5344","0.0001","22.0069","0.0005","90","","91.349","0.002","90","","1536.39","0.05","173","0.14","173","0.14","","","","","","","","2","P 1 21 1","P 2yb","4","","BDPM-DHT","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0578","0.0557","","","0.1504","0.1517","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519067","10.988","0.003","10.615","0.003","17.472","0.002","90","","91.55","0.01","90","","2037.1","0.8","","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Cs6 H5 Mo10 O42 P V2 -","- Cs6 Mo9.93 O41 P V2.07 -","- Cs12 Mo19.86 O82 P2 V4.14 -","2","1","","Hashimoto, Masato; Selling, Anna; Hakansson, Mikael; Pettersson, Lage","Multicomponent Polyanions. 52. Crystal Structure of Hexacaesium Monohydrogen Decamolybdo(VI)divanado(IV)phosphate(7‒) Dihydrate.","Acta Chemica Scandinavica","1999","53","","305","313","","","x-ray","0.71069","MoKα","","","0.0487","","","0.1382","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519086","10.827","0.005","12.828","0.006","10.889","0.005","90","","118.567","0.009","90","","1328.2","1.1","","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O7 -","","","4","2","","Damsgaard, Anders; Hazell, Rita; Bols, Mikael","Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates","Acta Chemica Scandinavica","1999","53","","521","527","","","x-ray","0.71069","MoKα","","","0.077","","","0.09","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1519101","5.3086","0.0008","7.1465","0.0009","7.6871","0.0009","90","","115.48","0.02","90","","263.27","0.07","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cd H2 O7 P V -","- Cd O7 P V -","- Cd2 O14 P2 V2 -","2","1","","Andre Leclaire; Marie-Madeleine Borel; Josiane Chardon; Bernard Raveau","A cadmium vanadophosphate built up from rutile and HTB-TYPE ribbons: CdVO2(H2O)PO4","Solid State Sciences","2000","2","","293","297","","","x-ray","0.71073","MoKα","","","0.048","","","0.05","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519142","10.227","0.003","18.698","0.003","11.133","0.004","90","","93.41","0.04","90","","2125.1","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H45 Cl3 N2 P Pd -","- C50 H45 Cl3 N2 P Pd -","- C100 H90 Cl6 N4 P2 Pd2 -","2","1","","Brown, Richard; Coles, Simon J.; Hursthouse, Michael B.","C49H43ClN2PPd, CH2Cl2","Crystal Structure Report Archive","1994","","","1198","","","","","0.71069","MoKα","","0.0432","0.0414","","","0.1077","0.1082","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519225","11.345","0.002","8.087","0.002","12.444","0.002","90","","95.23","0.02","90","","1136.9","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C50 H60 O14 -","2","1","","Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B.","C25H30O7","Crystal Structure Report Archive","1999","","","1045","","","","","0.71073","MoKα","","0.0535","0.0364","","","0.0972","0.1165","","","","","","0.846","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519232","9.2535","0.0003","13.1779","0.0004","9.6444","0.0002","90","","113.149","0.001","90","","1081.37","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C50 H60 O14 -","2","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.","C25H30O7","Crystal Structure Report Archive","1999","","","741","","","","","0.71073","MoKα","","0.0445","0.0369","","","0.0817","0.0855","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519287","7.783","0.0007","7.4943","0.0008","18.919","0.002","90","","90.027","0.004","90","","1103.51","0.19","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H29 O8 -","- C24 H29 O8 -","- C48 H58 O16 -","2","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B","C24H29O8","Crystal Structure Report Archive","2000","","","732","","","","","0.71073","MoKα","","0.0844","0.0535","","","0.1174","0.1293","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519326","7.8231","0.0002","12.9445","0.0003","17.3686","0.0004","90","","95.668","0.001","90","","1750.25","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H38 N2 O10 S -","- C36 H38 N2 O10 S -","- C72 H76 N4 O20 S2 -","2","1","","Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Palacios, J. C.; Gordillo, R.; Clemente, F. R.; Cintas, P.; Babiano, R.; Avalos, M.","trans-3-(Tetra-O-acetyl-D-arabino-tetritol-1'-yl)-2-(2-phenyl-4-benzyl-1,3- dioxo-2,4-diazapentyl)-2-phenylthiirane","Crystal Structure Report Archive","2001","","","131","","","","","0.71073","MoKα","","0.0475","0.0418","","","0.1006","0.1037","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519348","7.6905","0.0015","9.93","0.002","9.0526","0.0018","90","","97.07","0.03","90","","686.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Littlechild, Jenny A.; Coles, Simon J.; Hursthouse, Michael B.","C15H17NO4","Crystal Structure Report Archive","2001","","","780","","","","","0.71073","MoKα","","0.0779","0.0626","","","0.1451","0.1562","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519352","5.1549","0.0002","31.1802","0.0012","5.4853","0.0003","90","","90.609","0.002","90","","881.61","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 Br N -","- C19 H26 Br N -","- C38 H52 Br2 N2 -","2","1","","Hii, Mimi K. K.; Horton, Peter N.; Hursthouse, Michael B.","C19H26NBr","Crystal Structure Report Archive","2001","","","1015","","","","","0.71073","MoKα","","0.0425","0.0389","","","0.0883","0.09","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519410","12.1037","0.0002","6.87725","0.00012","16.6432","0.0003","90","","92.6683","0.0016","90","","1383.88","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0829","0.0823","","","0.2479","0.2481","","","","","","1.078","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519411","7.0438","0.0005","11.6921","0.0007","9.8846","0.0007","90","","108.47","0.008","90","","772.13","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O3 -","- C18 H19 Cl O3 -","- C36 H38 Cl2 O6 -","2","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0336","0.0328","","","0.0886","0.0893","","","","","","1.062","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519423","9.4882","0.0018","10.3774","0.0019","15.575","0.003","90","","107.509","0.006","90","","1462.5","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kim, Jinhee; Sim, Mikyung; Kim, Namhoon; Hong, Sungwoo","Asymmetric C‒H functionalization of cyclopropanes using an isoleucine-NH2bidentate directing group","Chem. Sci.","2015","6","6","3611","","10.1039/C5SC01137J","","","0.71073","MoKα","","0.1687","0.1445","","","0.3846","0.3965","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519439","9.1167","0.0001","7.9295","0.0001","11.3854","0.0008","90","","105.727","0.007","90","","792.25","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 F3 N S -","- C17 H18 F3 N S -","- C34 H36 F6 N2 S2 -","2","1","","Chen, Jiean; Meng, Sixuan; Wang, Leming; Tang, Hongmei; Huang, Yong","Highly enantioselective sulfa-Michael addition reactions using N-heterocyclic carbene as a non-covalent organocatalyst","Chem. Sci.","2015","6","7","4184","","10.1039/C5SC00878F","","","1.54187","CuKα","","0.0501","0.0436","","","0.1147","0.1223","","","","","","1.11","","","","has coordinates","143356","2020-10-21","18:00:00",""
"1519443","17.821","0.002","49.945","0.005","18.529","0.002","90","","108.269","0.006","90","","15661","3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 -","- C219 H207 Cu15 F45 N48 O117.666 P6 S15 -","- C438 H414 Cu30 F90 N96 O235.332 P12 S30 -","2","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","0.71073","MoKα","","0.0621","0.0514","","","0.1454","0.1564","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519511","8.1183","0.0007","5.928","0.0005","9.0398","0.0007","90","","113","0.007","90","","400.46","0.06","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","1","","Hursthouse, Michael B.; Brown, P. M.; Murphy, Patrick J.; Light, Mark E.","4,4-Dimethyl-2,5,8,10-tetraoxatricyclodecane","Crystal Structure Report Archive","2002","","","32","","","","","0.71073","MoKα","","0.0609","0.0374","","","0.068","0.0751","","","","","","0.995","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1519512","9.2892","0.0002","9.6862","0.0002","16.786","0.0006","90","","92.111","0.001","90","","1509.33","0.07","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H45 F3 N O3 P Pd S -","- C28 H45 F3 N O3 P Pd S -","- C56 H90 F6 N2 O6 P2 Pd2 S2 -","2","1","","Gelbrich, Thomas; Hursthouse, Michael B.; Cazin, C. S. J.; Bedford, R. B.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.","(Tricyclohexylphosphine)-(trifluoromethanesulfonato-O)-(2-((dimethylamino) methul)phenyl-C,N)-palladium","Crystal Structure Report Archive","2002","","","35","","","","","0.71073","MoKα","","0.042","0.0341","","","0.0734","0.0772","","","","","","0.903","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519520","11.3936","0.0003","10.8972","0.0003","19.5047","0.0007","90","","104.239","0.001","90","","2347.27","0.12","120","2","120","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H48 -","- C27 H48 -","- C108 H192 -","4","2","","Frampton, C. S.; Hursthouse, Michael B.; Coles, Simon J.","5alpha-cholestane - C27H48","Crystal Structure Report Archive","2002","","","51","","","","","0.71073","MoKα","","0.1185","0.0616","","","0.1117","0.1369","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519552","5.9385","0.0008","13.0338","0.0019","10.4518","0.0016","90","","104.583","0.006","90","","782.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Wood, Mark E.; Horton, Peter N.; Hursthouse, Michael B.","4-allyl-3-benzoyl-2-tert-butyl-1,3-oxazolidin-5-one","Crystal Structure Report Archive","2003","","","895","","","","","0.71073","MoKα","","0.0907","0.0735","","","0.1785","0.1968","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519556","5.9385","0.0008","13.0338","0.0019","10.4518","0.0016","90","","104.583","0.006","90","","782.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Wood, Mark E.; Horton, Peter N.; Hursthouse, Michael B.","C17H21NO3","Crystal Structure Report Archive","2003","","","980","","","","","0.71073","MoKα","","0.0907","0.0735","","","0.1785","0.1968","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519569","5.4663","0.0002","17.828","0.0012","8.1473","0.0005","90","","90.423","0.003","90","","793.96","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C30 H40 O10 S2 -","2","1","","ii, Mimi; Light, Mark E.; Hursthouse, Michael B.","C15H20O5S","Crystal Structure Report Archive","2003","","","1210","","","","","0.71073","MoKα","","0.0538","0.0418","","","0.1167","0.1301","","","","","","0.761","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519577","8.6737","0.0002","22.2346","0.0004","9.8649","0.0002","90","","104.924","0.001","90","","1838.33","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 Br N2 O -","- C17 H29 Br N2 O -","- C68 H116 Br4 N8 O4 -","4","2","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C17H29BrN2O","Crystal Structure Report Archive","2003","","","950","","","","","0.71073","MoKα","","0.048","0.0403","","","0.0854","0.0895","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519588","8.713","0.004","6.582","0.004","15.739","0.007","90","","101.7","0.05","90","","883.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Marson, Charles M.; Coles, Simon J.; Hursthouse, Michael B.","3-benzyl-6-ethyl-7-(hydroxymethyl)-1,8-dioxa-4-azacycloundecane-5,9,11-trione","Crystal Structure Report Archive","2004","","","892","","","","","0.71073","MoKα","","0.0811","0.057","","","0.0983","0.1043","","","","","","1.38","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519596","8.5936","0.0018","7.2355","0.0014","15.311","0.007","90","","103.98","0.03","90","","923.8","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","","Croft, Anna K.; Foley, Mark K.; Horton, Peter N.; Hursthouse, Michael B.","C20H24N2O5","Crystal Structure Report Archive","2004","","","876","","","","","0.71073","MoKα","","0.0573","0.0468","","","0.1083","0.1134","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519613","9.4572","0.0003","7.77569","0.00019","19.2277","0.0005","90","","103.188","0.003","90","","1376.64","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun","Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.","Journal of natural products","2015","78","5","1037","1044","10.1021/np5010196","","","1.54184","CuKα","","0.0485","0.0475","","","0.1284","0.131","","","","","","1.039","","","","has coordinates","138268","2020-10-21","18:00:00",""
"1519614","12.4345","0.0004","6.06696","0.00015","12.7077","0.0004","90","","115.588","0.004","90","","864.64","0.05","249","30","249","30","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun","Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.","Journal of natural products","2015","78","5","1037","1044","10.1021/np5010196","","","1.54184","CuKα","","0.0451","0.0445","","","0.1227","0.124","","","","","","1.037","","","","has coordinates","138268","2020-10-21","18:00:00",""
"1519620","9.7456","0.0001","10.052","0.0001","12.315","0.0002","90","","107.912","0.0003","90","","1147.93","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Navarixin Ethanol Solvate","2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino} -3,4-dioxocyclobut-1-en-1-yl)amino]benzamide ethanol solvate","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C46 H58 N6 O12 -","2","1","","Maguire, Courtney K.; Brunskill, Andrew P. J.","Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.","Molecular pharmaceutics","2015","12","6","2061","2067","10.1021/mp5008458","","","1.54178","CuKα","","0.0338","0.0336","","","0.0942","0.0944","","","","","","1.054","","","","has coordinates","141373","2020-10-21","18:00:00",""
"1519621","9.4995","0.0002","9.7624","0.0002","12.7614","0.0003","90","","111.666","0.0006","90","","1099.86","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Navarixin methanol solvate","2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino} -3,4-dioxocyclobut-1-en-1-yl)amino]benzamide methanol solvate","","- C22 H27 N3 O6 -","- C22 H27 N3 O6 -","- C44 H54 N6 O12 -","2","1","","Maguire, Courtney K.; Brunskill, Andrew P. J.","Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.","Molecular pharmaceutics","2015","12","6","2061","2067","10.1021/mp5008458","","","1.54178","CuKα","","0.0303","0.0299","","","0.085","0.0854","","","","","","1.064","","","","has coordinates","141373","2020-10-21","18:00:00",""
"1519644","13.233","0.0003","19.9093","0.0004","13.5733","0.0003","90","","115.271","0.003","90","","3233.79","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(18-crown-6)][P{(CO)2[N(Dipp)]2}2]","","- C64 H92 K N4 O10 P -","- C64 H92 K N4 O10 P -","- C128 H184 K2 N8 O20 P2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","","","0.055","0.0458","","","0.1096","0.1168","","","","","","1.025","","","","has coordinates,has disorder","143342","2020-10-21","18:00:00",""
"1519654","20.7243","0.0006","10.45113","0.00017","21.5504","0.0005","90","","113.543","0.003","90","","4279.1","0.2","180","","180","","","","101","","","","","3","P 1 21 1","P 2yb","4","","","","- C48.5 H58 O6.5 -","- C48.5 H58 O6.5 -","- C194 H232 O26 -","4","2","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.54184","CuKα","","0.091","0.0855","","0.2214","0.2127","0.2213","","","","","","0.9818","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1519659","8.4907","0.0003","8.5157","0.0002","12.152","0.0004","90","","109.005","0.004","90","","830.75","0.05","173.01","0.11","173.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Zhao, Qin; Chen, Guo-Dong; Feng, Xiao-Lin; Yu, Yang; He, Rong-Rong; Li, Xiao-Xia; Huang, Yan; Zhou, Wen-Xia; Guo, Liang-Dong; Zheng, Yi-Zhi; Yao, Xin-Sheng; Gao, Hao","Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp.","Journal of natural products","2015","78","6","1221","1230","10.1021/np500912t","","","1.54178","CuKα","","0.0367","0.0358","","","0.0893","0.0904","","","","","","1.029","","","","has coordinates","141363","2020-10-21","18:00:00",""
"1519660","7.2425","0.0003","8.2512","0.0003","13.6931","0.0005","90","","96.661","0.003","90","","812.77","0.05","173","0.3","173","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Zhao, Qin; Chen, Guo-Dong; Feng, Xiao-Lin; Yu, Yang; He, Rong-Rong; Li, Xiao-Xia; Huang, Yan; Zhou, Wen-Xia; Guo, Liang-Dong; Zheng, Yi-Zhi; Yao, Xin-Sheng; Gao, Hao","Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp.","Journal of natural products","2015","78","6","1221","1230","10.1021/np500912t","","","1.54184","CuKα","","0.0363","0.0311","","","0.0716","0.0759","","","","","","1.094","","","","has coordinates","141363","2020-10-21","18:00:00",""
"1519685","10.7801","0.0003","12.9089","0.0002","23.4459","0.0007","90","","101.782","0.003","90","","3193.97","0.14","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O5 -","- C32 H48 O5 -","- C128 H192 O20 -","4","2","","Xu, Wen-Jun; Zhu, Meng-Di; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Kong, Ling-Yi","Hypermongones A-J, Rare Methylated Polycyclic Polyprenylated Acylphloroglucinols from the Flowers of Hypericum monogynum.","Journal of natural products","2015","78","5","1093","1100","10.1021/acs.jnatprod.5b00066","","","1.54184","CuKα","","0.0674","0.0527","","","0.1443","0.1611","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519697","8.013","0.003","5.1662","0.0018","10.972","0.004","90","","93.376","0.005","90","","453.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H10 Br F O -","- C9 H10 Br F O -","- C18 H20 Br2 F2 O2 -","2","1","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","0.71073","MoKα","","0.0207","0.0187","","","0.0456","0.0465","","","","","","1.044","","","","has coordinates","140290","2020-10-21","18:00:00",""
"1519756","7.3312","0.0004","12.6193","0.0006","14.4778","0.0008","90","","98.847","0.005","90","","1323.47","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C60 H84 O10 -","2","1","","Zhao, Qian-Qian; Song, Qiu-Yan; Jiang, Kan; Li, Guang-Da; Wei, Wen-Jun; Li, Ya; Gao, Kun","Spirochensilides A and B, Two New Rearranged Triterpenoids from Abies chensiensis.","Organic letters","2015","17","11","2760","2763","10.1021/acs.orglett.5b01166","","","1.54184","CuKα","","0.0838","0.0629","","","0.1423","0.1788","","","","","","1.124","","","","has coordinates","152911","2020-10-21","18:00:00",""
"1519788","9.6827","0.0001","22.3776","0.0002","16.0124","0.0002","90","","91.846","0.001","90","","3467.7","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H15 Cl3 N5 O P3 -","- C10 H15 Cl3 N5 O P3 -","- C80 H120 Cl24 N40 O8 P24 -","8","4","","Davies, David B.; Besli, S.; Kilic, A.; Coles, Simon J.; Hursthouse, Michael B.","C10H15Cl3N5OP3","Crystal Structure Report Archive","2007","","","346","","","","","0.71073","MoKα","","0.0345","0.0316","","","0.0696","0.0714","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519834","9.3955","0.0005","4.8267","0.0002","10.9702","0.0005","90","","104.999","0.003","90","","480.54","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N4 O -","- C9 H12 N4 O -","- C18 H24 N8 O2 -","2","1","","Huth, Susanne L.; Hursthouse, Michael B.; Withnell, James","2-(1H-1,2,4-Triazol-1-ylmethyl)aniline","Crystal Structure Report Archive","2007","","","363","","","","","0.71073","MoKα","","0.0755","0.0553","","","0.0988","0.1107","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519845","8.1461","0.0003","5.973","0.0002","9.5815","0.0003","90","","100.94","0.002","90","","457.73","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Huth, Susanne L.; Hursthouse, Michael B.; Withnell, James","6-Morpholinopyridine-2-carbaldehyde","Crystal Structure Report Archive","2007","","","355","","","","","0.71073","MoKα","","0.0355","0.0331","","","0.0779","0.0801","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519861","9.7832","0.0002","10.042","0.0002","11.5984","0.0002","90","","109.228","0.001","90","","1075.9","0.04","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl N5 O2 P3 -","- C18 H25 Cl N5 O2 P3 -","- C36 H50 Cl2 N10 O4 P6 -","2","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Coles, Simon J.; Hursthouse, Michael B.","C18H25ClN5O2P3","Crystal Structure Report Archive","2007","","","298","","","","","0.71073","MoKα","","0.0348","0.034","","","0.1002","0.1012","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519914","10.9342","0.0002","8.2762","0.0003","12.6979","0.0004","90","","92.78","0.002","90","","1147.73","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","2","","Dervisi, A.; Horton, Peter N.; Callear, Samantha K.; Hursthouse, Michael B.","C12H14N4O2","Crystal Structure Report Archive","2008","","","603","","","","","0.71073","MoKα","","0.056","0.0454","","","0.103","0.1083","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519923","6.1791","0.0002","23.0423","0.0006","6.9392","0.0002","90","","110.037","0.001","90","","928.21","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C42 H68 O6 -","2","1","","Hosseini, Abolfazl; Seidel, Daniel; Miska, Andreas; Schreiner, Peter R.","Fluoride-assisted activation of calcium carbide: a simple method for the ethynylation of aldehydes and ketones.","Organic letters","2015","17","11","2808","2811","10.1021/acs.orglett.5b01219","","","1.54178","CuKα","","0.0283","0.0279","","","0.0746","0.0747","","","","","","1.125","","","","has coordinates","140289","2020-10-21","18:00:00",""
"1519953","8.2165","0.0004","7.0534","0.0005","10.0677","0.0007","90","","104.266","0.004","90","","565.47","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylpiperazinium oxalate dihydrate","","- C7 H18 N2 O6 -","- C7 H18 N2 O6 -","- C14 H36 N4 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","1-Methylpiperazine oxalate dihydrate","Crystal Structure Report Archive","2008","","","566","","","","","0.71073","MoKα","","0.0462","0.0344","","","0.0761","0.0788","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519957","9.4109","0.0012","8.7365","0.0011","12.4478","0.0014","90","","102.099","0.009","90","","1000.7","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diammoniumpropane L-tartrate","","- C7 H16 N2 O6 -","- C7 H16 N2 O6 -","- C28 H64 N8 O24 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1,3-Diammoniumpropane L-tartrate","Crystal Structure Report Archive","2008","","","584","","","","","0.71073","MoKα","","0.1122","0.0575","","","0.0972","0.1134","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519961","5.5528","0.0006","16.018","0.0018","11.7768","0.0019","90","","103.378","0.009","90","","1019.1","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Di-1-phenylethylammonium tartrate","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","","Callear, Samantha K.; Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Di-1-phenylethylammonium tartrate","Crystal Structure Report Archive","2008","","","557","","","","","0.71073","MoKα","","0.052","0.0398","","","0.086","0.0922","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519973","5.2139","0.0017","11.14","0.007","7.489","0.003","90","","95.32","0.03","90","","433.1","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methylammonium tartrate monohydrate","","- C5 H13 N O7 -","- C5 H13 N O7 -","- C10 H26 N2 O14 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Methylammonium tartrate monohydrate","Crystal Structure Report Archive","2008","","","577","","","","","0.71073","MoKα","","0.0826","0.0558","","","0.1035","0.1137","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519985","5.6889","0.0004","8.9638","0.0004","13.2457","0.0011","90","","97.112","0.003","90","","670.26","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Toluidinium toluene-4-sulphonate","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Toluidinium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","569","","","","","0.71073","MoKα","","0.0831","0.0579","","","0.098","0.1066","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519986","11.6414","0.0017","6.2915","0.0008","22.249","0.003","90","","96.148","0.007","90","","1620.2","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetramethylbutylammonium aniline-4-sulphonate","","- C14 H26 N2 O3 S -","- C14 H26 N2 O3 S -","- C56 H104 N8 O12 S4 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.","Tetramethylbutylammonium aniline-4-sulphonate","Crystal Structure Report Archive","2008","","","572","","","","","0.71073","MoKα","","0.2587","0.1006","","","0.1908","0.2561","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519996","7.6534","0.0008","6.9693","0.0007","10.5603","0.001","90","","104.616","0.005","90","","545.05","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Tartaric Acid and 1,2-dimethylimidazole","","- C9 H14 N2 O6 -","- C9 H14 N2 O6 -","- C18 H28 N4 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium L-tartrate","Crystal Structure Report Archive","2008","","","516","","","","","0.71073","MoKα","","0.0826","0.0518","","","0.1036","0.1177","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519999","9.4777","0.0006","7.3392","0.0003","13.4089","0.0006","90","","91.432","0.005","90","","932.41","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha","Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.","Organic letters","2015","17","11","2840","2843","10.1021/acs.orglett.5b01257","","","0.71073","MoKα","","0.0595","0.044","","","0.0866","0.0961","","","","","","1.052","","","","has coordinates","141408","2020-10-21","18:00:00",""
"1520032","7.874","0.0008","7.9775","0.0008","12.3173","0.0011","90","","92.715","0.002","90","","772.84","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C44 H24 N4 -","2","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0414","0.0402","","","0.1091","0.1111","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520111","8.82965","0.00014","10.54451","0.00018","9.86508","0.00016","90","","90.6454","0.0016","90","","918.42","0.03","295.8","0.2","295.8","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Zhang, Dong-Bo; Yu, Dao-Geng; Sun, Meng; Zhu, Xu-Xin; Yao, Xiao-Jun; Zhou, Shuang-Yan; Chen, Jian-Jun; Gao, Kun","Ervatamines A-I, Anti-inflammatory Monoterpenoid Indole Alkaloids with Diverse Skeletons from Ervatamia hainanensis.","Journal of natural products","2015","78","6","1253","1261","10.1021/acs.jnatprod.5b00051","","","1.54184","CuKα","","0.0583","0.0578","","","0.1514","0.1524","","","","","","1.039","","","","has coordinates","140133","2020-10-21","18:00:00",""
"1520203","8.9411","0.0003","11.0719","0.0003","10.9373","0.0004","90","","99.81","0.002","90","","1066.91","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl N O2 S -","- C22 H28 Cl N O2 S -","- C44 H56 Cl2 N2 O4 S2 -","2","1","","Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B.","C22H28Cl1N1O2S1","Crystal Structure Report Archive","2008","","","443","","","","","0.71073","MoKα","","0.047","0.0404","","","0.1043","0.1078","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520224","10.363","0.003","9.318","0.002","11.453","0.004","90","","112.7","0.04","90","","1020.3","0.6","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O2 S -","- C22 H22 N4 O2 S -","- C44 H44 N8 O4 S2 -","2","1","","Wang, Linqing; Yang, Dongxu; Li, Dan; Wang, Rui","Catalytic Enantioselective Ring-Opening and Ring-Closing Reactions of 3-Isothiocyanato Oxindoles and N-(2-Picolinoyl)aziridines.","Organic letters","2015","17","12","3004","3007","10.1021/acs.orglett.5b01291","","","0.71073","MoKα","","0.1","0.0598","","","0.125","0.1618","","","","","","0.994","","","","has coordinates","140271","2020-10-21","18:00:00",""
"1520236","7.536","0.0004","14.218","0.0008","9.716","0.0006","90","","96.571","0.003","90","","1034.2","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Glutaric Acid & 4-Methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium glutarate","Crystal Structure Report Archive","2008","","","467","","","","","0.71073","MoKα","","0.098","0.0559","","","0.0977","0.1108","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520241","9.7285","0.0005","13.3392","0.0007","12.9849","0.0005","90","","103.791","0.003","90","","1636.48","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-nitrophenyl)acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C64 H64 N16 O24 -","8","4","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-nitrophenyl)acetamide","Crystal Structure Report Archive","2008","","","1371","","","","","0.71073","MoKα","","0.0647","0.0499","","","0.1194","0.1273","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520248","9.7285","0.0005","13.3392","0.0007","12.9849","0.0005","90","","103.791","0.003","90","","1636.48","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-nitrophenyl)acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C64 H64 N16 O24 -","8","4","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-Nitrophenyl)acetamide","Crystal Structure Report Archive","2008","","","541","","","","","0.71073","MoKα","","0.0649","0.0503","","","0.121","0.1287","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520263","8.2251","0.0001","10.3695","0.0001","9.9358","0.0001","90","","94.251","0.0007","90","","845.095","0.016","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Rhodium complex","12a","","- C16 H18 N4 O2 S -","- C16 H18 N4 O2 S -","- C32 H36 N8 O4 S2 -","2","1","","Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A.","Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones","RSC Advances","2015","5","64","51722","51729","10.1039/C5RA08220J","","","0.71073","MoKα","","0.0297","0.0291","","","0.0791","0.08","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520268","6.3073","0.0001","17.6438","0.0004","9.5481","0.0002","90","","96.552","0.001","90","","1055.62","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C36 H48 N10 O8 P6 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Yesilot, Serkan","C18H24N5O4P3","Crystal Structure Report Archive","2008","","","410","","","","","0.71073","MoKα","","0.0294","0.0282","","","0.0645","0.0654","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520289","10.455","0.0004","14.6532","0.0008","18.1135","0.001","90","","94.095","0.002","90","","2767.9","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H27 Cr N Na O14 S24 -","- C37 H27 Cr N Na O14 S24 -","- C74 H54 Cr2 N2 Na2 O28 S48 -","2","1","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C37H27CrNNaO14S24","Crystal Structure Report Archive","2009","","","1234","","","","","0.71073","MoKα","","0.0896","0.0641","","","0.1221","0.136","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520292","5.615","0.016","10.35","0.03","11.29","0.03","90","","102.9","0.03","90","","640","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C22 H28 Cl2 N2 O2 S2 -","2","1","","Chen, Xiao-Yang; Sun, Li-Sen; Gao, Xiang; Sun, Xing-Wen","Diastereoselective Allylation ofN-tert-Butanesulfinyl Imines: An Asymmetric Synthesis Experiment for the Undergraduate Organic Laboratory","Journal of Chemical Education","2015","92","4","714","","10.1021/ed500292q","","","0.71073","MoKα","","0.0508","0.0352","","","0.08","0.0995","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520309","14.7772","0.0013","11.1085","0.001","16.6848","0.0013","90","","92.405","0.004","90","","2736.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B F2 N O3 -","- C12 H18 B F2 N O3 -","- C96 H144 B8 F16 N8 O24 -","8","4","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0954","0.0794","","","0.1921","0.2043","","","","","","1.123","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520339","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C38H27CrNNaO12S24","Crystal Structure Report Archive","2009","","","1232","","","","","0.71073","MoKα","","0.1731","0.0976","","","0.1964","0.2397","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520344","12.0167","0.0003","5.5605","0.0001","17.6399","0.0004","90","","109.85","0.002","90","","1108.65","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O9 S -","- C20 H24 O9 S -","- C40 H48 O18 S2 -","2","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-phenylsulfanyl- tetrahydropyran-3-yl ester","Crystal Structure Report Archive","2009","","","847","","","","","0.71073","MoKα","","0.0513","0.0441","","","0.0836","0.0876","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520379","8.7283","0.0002","25.8978","0.0004","10.1531","0.0002","90","","109.86","0.002","90","","2158.55","0.08","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","2","","Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24.","Journal of natural products","2015","78","6","1442","1445","10.1021/acs.jnatprod.5b00103","","","1.54184","CuKα","","0.035","0.0337","","","0.0922","0.0937","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520380","8.1342","0.0001","18.9651","0.0002","15.1089","0.0001","90","","102.491","0.001","90","","2275.62","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","2","","Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24.","Journal of natural products","2015","78","6","1442","1445","10.1021/acs.jnatprod.5b00103","","","1.54184","CuKα","","0.0323","0.032","","","0.0887","0.0892","","","","","","1.051","","","","has coordinates","141362","2020-10-21","18:00:00",""
"1520413","6.2194","0.0002","7.6717","0.0002","13.7114","0.0005","90","","101.551","0.002","90","","640.97","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C26 H28 N8 O2 S2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C13H14N4OS","Crystal Structure Report Archive","2009","","","637","","","","","0.71073","MoKα","","0.0419","0.0375","","","0.0804","0.0833","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520428","8.4342","0.0003","7.2543","0.0002","9.661","0.0003","90","","103.079","0.002","90","","575.77","0.03","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I N O2 Si -","- C8 H14 I N O2 Si -","- C16 H28 I2 N2 O4 Si2 -","2","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C8H14INO2Si","Crystal Structure Report Archive","2009","","","652","","","","","0.71073","MoKα","","0.0271","0.0242","","","0.0481","0.0495","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520436","8.2919","0.0003","5.9109","0.0002","12.402","0.0005","90","","96.272","0.002","90","","604.22","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C28 H30 N6 O4 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C14H15N3O2","Crystal Structure Report Archive","2009","","","627","","","","","0.71073","MoKα","","0.0435","0.0357","","","0.0827","0.0868","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520438","6.278","0.0003","7.5736","0.0002","13.9057","0.0007","90","","101.879","0.002","90","","647.02","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C28 H30 N6 O2 S2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C14H15N3OS","Crystal Structure Report Archive","2009","","","631","","","","","0.71073","MoKα","","0.0664","0.0474","","","0.1012","0.1111","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520453","11.7763","0.0013","5.828","0.0003","16.1543","0.0009","90","","104.773","0.006","90","","1072.06","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H19 N4 O -","- C28 H19 N4 O -","- C56 H38 N8 O2 -","2","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0741","0.0576","","","0.1505","0.1681","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520542","6.62144","0.00014","20.1343","0.0004","9.362","0.0002","90","","100.915","0.002","90","","1225.54","0.04","293.69","0.1","293.69","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N O4 -","- C32 H25 N O4 -","- C64 H50 N2 O8 -","2","1","","Zhao, Shuai; Zhao, Yuan-Yuan; Lin, Jun-Bing; Xie, Ting; Liang, Yong-Min; Xu, Peng-Fei","Organocatalyzed Asymmetric Vinylogous Allylic-Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Olefinic Azlactones: Facile Access to Chiral Multifunctional α-Amino Acid Derivatives.","Organic letters","2015","17","13","3206","3209","10.1021/acs.orglett.5b01066","","x-ray","1.54184","CuKα","","0.0336","0.0312","","","0.0776","0.0796","","","","","","1.026","","","","has coordinates","140259","2020-10-21","18:00:00",""
"1520570","7.269","0.001","10.484","0.001","8.094","0.001","90","","99.41","0.01","90","","608.53","0.13","","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O4 -","","","2","1","","Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland","Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries","Acta Chemica Scandinavica","1999","53","","1023","1037","10.3891/acta.chem.scand.53-1023","","x-ray","0.71073","MoKα","","","0.035","","","0.091","","","","","","","","","","","","176428","2020-10-21","18:00:00",""
"1520581","9.9462","0.0012","10.3018","0.0011","12.8708","0.0015","90","","108.547","0.014","90","","1250.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Al N2 O2 -","- C27 H37 Al N2 O2 -","- C54 H74 Al2 N4 O4 -","2","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0463","0.0382","","","0.0795","0.0828","","","","","","1.028","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520595","7.9384","0.0005","7.0246","0.0005","12.9394","0.0008","90","","98.464","0.004","90","","713.7","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EM03-093B","sarpong38","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.0403","0.039","","","0.1064","0.1078","","","","","","1.067","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520636","10.39896","0.00019","9.11807","0.00017","13.7409","0.0003","90","","108.291","0.008","90","","1237.06","0.07","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 S2 -","- C29 H32 N2 S2 -","- C58 H64 N4 S4 -","2","1","","Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.","Organic letters","2015","17","13","3362","3365","10.1021/acs.orglett.5b01644","","","1.54187","CuKα","","0.0334","0.0313","","","0.0839","0.0911","","","","","","1.11","","","","has coordinates","140263","2020-10-21","18:00:00",""
"1520639","10.1227","0.0016","25.116","0.004","11.547","0.0018","90","","97.553","0.006","90","","2910.3","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl N2 O2 S -","- C33 H29 Cl N2 O2 S -","- C132 H116 Cl4 N8 O8 S4 -","4","2","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.1743","0.0617","","","0.1165","0.1618","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520657","5.6762","0.0006","10.5443","0.0011","14.1611","0.0014","90","","100.294","0.004","90","","833.92","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C36 H34 Br2 O10 -","2","1","","Sinha, Debarshi; Biswas, Arnab; Singh, Vinod K.","Chiral Phosphine-Silver(I) Complex Catalyzed Enantioselective Interrupted Feist-Bénary Reaction with Ynones: The Aldol-Cycloisomerization Cascade.","Organic letters","2015","17","13","3302","3305","10.1021/acs.orglett.5b01468","","","0.71073","MoKα","","0.0872","0.0518","","","0.1107","0.1256","","","","","","0.904","","","","has coordinates","140257","2020-10-21","18:00:00",""
"1520678","8.921","0.002","6.656","0.001","12.04","0.002","90","","110.19","0.01","90","","671","0.2","","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 O6 -","- C11 N5 O6 -","- C22 N10 O12 -","2","1","","Gorbitz, Carl Henrik; Husdal, Johanne","Cocrystallizing Agents for Amino Acids. II. The Crystal Structures of L-Histidine.4,5-Imidazoledicarboxylic Acid (1:1) and L-Lysine.4,5- Imidazoledicarboxylic Acid (1:1)","Acta Chemica Scandinavica","1998","52","","218","226","10.3891/acta.chem.scand.52-0218","","x-ray","0.71069","MoKα","","","0.035","","","0.041","","","","","","","2.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520679","6.634","0.002","28.629","0.007","7.057","0.002","90","","97.53","0.02","90","","1328.7","0.6","","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O6 -","- C11 N4 O6 -","- C44 N16 O24 -","4","2","","Gorbitz, Carl Henrik; Husdal, Johanne","Cocrystallizing Agents for Amino Acids. II. The Crystal Structures of L-Histidine.4,5-Imidazoledicarboxylic Acid (1:1) and L-Lysine.4,5- Imidazoledicarboxylic Acid (1:1)","Acta Chemica Scandinavica","1998","52","","218","226","10.3891/acta.chem.scand.52-0218","","x-ray","0.71069","MoKα","","","0.052","","","0.045","","","","","","","1.73","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520683","10.868","0.0008","6.8325","0.0006","12.6102","0.001","90","","103.793","0.005","90","","909.38","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","REJIII-035E2","sarpong111","","- C20 H24 Cl N3 O -","- C20 H24 Cl N3 O -","- C40 H48 Cl2 N6 O2 -","2","1","","Johnson, Rebecca E.; de Rond, Tristan; Lindsay, Vincent N. G.; Keasling, Jay D.; Sarpong, Richmond","Synthesis of Cycloprodigiosin Identifies the Natural Isolate as a Scalemic Mixture.","Organic letters","2015","17","14","3474","3477","10.1021/acs.orglett.5b01527","","","1.54178","CuKα","","0.0562","0.0467","","","0.1104","0.1169","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520689","7.002","0.001","6.637","0.002","19.154","0.002","90","","95.42","0.02","90","","886.2","0.3","","","138","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 N O4 -","- C38 N2 O8 -","2","1","","Aukrust, Inger Reidun; Nilsen, Nils Olav; Romming, Christian; Skattebol, Lars","Reactions of Myrtenylzinc Bromide with Carbonyl Compounds. Regio- and Diastereo-selectivity","Acta Chemica Scandinavica","1998","52","","385","390","10.3891/acta.chem.scand.52-0385","","x-ray","0.7093","MoKα","","","0.0649","","","0.1441","","","","","","","0.938","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520721","6.1311","0.0002","17.3576","0.0007","8.5062","0.0004","90","","98.395","0.002","90","","895.54","0.06","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.","Journal of natural products","2015","78","7","1635","1646","10.1021/acs.jnatprod.5b00195","","","1.54178","CuKα","","0.0386","0.0382","","","0.1009","0.1015","","","","","","1.035","","","","has coordinates","152862","2020-10-21","18:00:00",""
"1520729","6.6067","0.0003","19.709","0.001","9.7407","0.0005","90","","109.22","0.002","90","","1197.65","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H31 N O3 S2 -","- C25 H31 N O3 S2 -","- C50 H62 N2 O6 S4 -","2","1","","Fernández-Valparís, Javier; Romo, Juan Manuel; Romea, Pedro; Urpí, Fèlix; Kowalski, Hubert; Font-Bardia, Mercè","Stereoselective Alkylation of (S)-N-Acyl-4-isopropyl-1,3-thiazolidine-2-thiones Catalyzed by (Me3P)2NiCl2.","Organic letters","2015","17","14","3540","3543","10.1021/acs.orglett.5b01626","","","0.71073","MoKα","","0.0321","0.0293","","","0.0742","0.0762","","","","","","1.108","","","","has coordinates","154786","2020-10-21","18:00:00",""
"1520959","14.07","0.0005","10.406","0.0003","14.8885","0.0004","90","","103.249","0.003","90","","2121.84","0.12","190","2","190","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C100 H160 O8 -","4","2","","Challinor, Victoria L.; Johnston, Ryne C.; Bernhardt, Paul V.; Lehmann, Reginald P.; Krenske, Elizabeth H.; De Voss, James J.","Biosynthetic insights provided by unusual sesterterpenes from the medicinal herb Aletris farinosa","Chem. Sci.","2015","6","10","5740","","10.1039/C5SC02056E","","x-ray","1.5418","CuKα","","0.0469","0.0446","","","0.125","0.1279","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520960","9.566","0.002","10.649","0.002","17.115","0.003","90","","95.18","0.03","90","","1736.4","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H30 Br N2 O5 P Pd -","- C34 H30 Br N2 O5 P Pd -","- C68 H60 Br2 N4 O10 P2 Pd2 -","2","1","","Xie, Lan-Gui; Bagutski, Viktor; Audisio, Davide; Wolf, Larry M.; Schmidts, Volker; Hofmann, Kathrin; Wirtz, Cornelia; Thiel, Walter; Thiele, Christina M.; Maulide, Nuno","Dynamic behaviour of monohaptoallylpalladium species: internal coordination as a driving force in allylic alkylation chemistry","Chem. Sci.","2015","6","10","5734","","10.1039/C5SC01867F","","","0.71073","MoKα","","0.0909","0.059","","","0.1068","0.1127","","","","","","1.151","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521091","5.513","","8.289","","5.307","","90","","96.22","","90","","241.088","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Te O F2","","- F2 O Te -","- F2 O Te -","- F8 O4 Te4 -","4","2","","Guillet, L.; Ider, A.; Laval, J.P.; Frit, B.","Crystal structure of Te O F2","Journal of Fluorine Chemistry","1999","93","","33","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521277","8.9698","0.0004","18.4284","0.0008","12.3981","0.0005","90","","98.31","0.002","90","","2027.88","0.15","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N4 O -","- C20 H27 Br N4 O -","- C80 H108 Br4 N16 O4 -","4","2","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0228","0.0226","","","0.0588","0.059","","","","","","0.977","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521278","10.0804","0.0003","9.9982","0.0003","19.7575","0.0006","90","","103.299","0.0017","90","","1937.88","0.1","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N7 O7 -","- C33 H53 N7 O7 -","- C66 H106 N14 O14 -","2","1","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0444","0.0425","","","0.1073","0.1089","","","","","","1.065","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521732","5.2829","","5.2998","","23.99059","","90","","90.27","","90","","671.689","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bi0.9 Sr3.1 Mn O6","","- Bi0.9 Mn O6 Sr3.1 -","- Bi0.9 Mn O6 Sr3.1 -","- Bi3.6 Mn4 O24 Sr12.4 -","4","2","","Pelloquin, D.; Maignan, A.; Hervieu, M.; Michel, C.; Raveau, B.","Two new Sr-rich layered manganites with a 1:1 Bi-Sr ordering: 1201 Bi0.4 Sr2.6 Mn O5-d and 2201 Bi0.9 Sr3.1 Mn O6-d","Journal of Solid State Chemistry","2000","151","","210","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523468","5.62","","10.59","","5.598","","90","","98.93","","90","","329.131","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Ir U -","- Ir U -","- Ir8 U8 -","8","4","","Dommann, A.; Fischer, P.; Hulliger, F.; Siegrist, T.","The magnetic structure of U Ir","Journal of Magnetism and Magnetic Materials","1987","67","","323","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525050","7.159","","9.19","","8.809","","90","","99.66","","90","","571.337","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs Pr (P O3)4","","- Cs O12 P4 Pr -","- Cs O12 P4 Pr -","- Cs2 O24 P8 Pr2 -","2","1","","Palkina, K.K.; Maksimova, S.I.; Kuznetsov, V.G.","Crystal structure of Cs Pr (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","284","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525350","15.858","","6.985","","6.641","","90","","97.55","","90","","729.234","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ca (H3 O)2 (U O2)2 (Si O4)2 (H2 O)2","","- Ca H10 O16 Si2 U2 -","- Ca O16 Si2 U2 -","- Ca2 O32 Si4 U4 -","2","1","","Stohl, F.V.; Smith, D.K.jr.","The crystal chemistry of the uranyl silicate minerals","American Mineralogist","1981","66","","610","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525764","6.4334","","9.522","","11.111","","90","","92.56","","90","","679.968","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cs2 Np (S O4)3 (H2 O)2","","- Cs2 H4 Np O14 S3 -","- Cs2 Np O14 S3 -","- Cs4 Np2 O28 S6 -","2","1","","Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.","Synthesis, crystal structure and characteristics of double cesium neptunium(IV) sulfate","Radiokhimiya","2000","42","","40","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525801","14.957","","16.535","","16.159","","90","","108.586","","90","","3787.92","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na4 (H3 O) (Na (H P O4)2 (P O4)4 Mo18 O49) (H2 O)16","","- Mo18 Na5 O40 P6 -","- Mo18 Na5 O40 P6 -","- Mo36 Na10 O80 P12 -","2","1","","Lin, Z.-Z.; Zhang, H.-H.; Huang, C.-C.; Wu, X.-Y.; Zhao, S.-L.; Sun, R.-Q.; Lin, Z.-H.","Hydrothermal synthesis and structure of a novel molybdenum phosphate: Na4 (H3 O) (Na (H P O4)2 (P O4)4 Mo18 O49) * 16(H2 O)","Jiegon Huaxue","2001","20","","447","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","146857","2020-10-21","18:00:00",""
"1525813","6.8738","","4.9178","","5.7018","","90","","98.829","","90","","190.46","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn2 (B O3) (O H)0.75 F0.25","","- B F0.25 H0.75 O3.75 Zn2 -","- B F0.25 H0.75 O3.75 Zn2 -","- B2 F0.5 H1.5 O7.5 Zn4 -","2","1","","Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.","(O H)-F disorder in non-centrosymmetric Zn2 (B O3) (O H)0.75 F0.25: ab initio structure determination and NMR study: comparison with tridymite and fluoride borates","Journal of Alloys Compd.","2001","315","","287","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526096","5.212","","13.581","","7.394","","90","","102.11","","90","","511.731","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs Mn (P O3)4","","- Cs Mn O12 P4 -","- Cs Mn O12 P4 -","- Cs2 Mn2 O24 P8 -","2","1","","Murashova, E.V.; Chudinova, N.N.","Synthesis and crystal structure of the double polyphosphate Cs Mn (P O3)4","Neorganicheskie Materialy","2000","36","","1512","1515","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526109","4.925","","6.437","","7.928","","90","","107.316","","90","","239.944","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cs H2 (P O4)0.72 (As O4)0.28","","- As0.28 Cs H2 O4 P0.72 -","- As0.279 Cs H2 O4 P0.721 -","- As0.558 Cs2 H4 O8 P1.442 -","2","1","","Naili, H.; Vendier, L.; Jaud, J.; Mhiri, T.","The influence of partial substitution of phosphorus by arsenic in monoclinic Cs H2 P O4. x-ray single crystal, vibrational and phase transitions in the mixed Cs H2 (P O4)0.72 (As O4)0.28","Solid State Sciences","2001","3","","677","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526217","24.45","","10.335","","12.21","","90","","118.6","","90","","2708.89","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs10 (Li11 H3) (Li8 Si40 O96) (H2 O)12","","- Cs9.94 Li8 O96 Si40 -","- Cs9.94 Li8 O96 Si40 -","- Cs9.94 Li8 O96 Si40 -","1","0.5","","Park, S.-H.; Daniels, P.; Gies, H.","RUB-23: a new microporous lithosilicate containing spiro-5 building units","Microporous and Mesoporous Materials","2000","37","","129","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","147353","2020-10-21","18:00:00",""
"1526398","4.7725","","7.871","","6.8618","","90","","106.142","","90","","247.597","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","V (P2 O7)","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Rousse, G.; Wurm, C.; Rodriguez-Carvajal, J.; Morcrette, M.; Gaubicher, J.; Masquelier, C.","Crystal structure of a new vanadium(IV) diphosphate: V P2 O7, prepared by lithium extraction from Li V P2 O7","International Journal of Inorganic Materials","2001","3","","881","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526627","5.3096","","12.002","","7.8311","","90","","109.07","","90","","471.656","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Pr3 Cl3 (Si2 O7)","","- Cl3 O7 Pr3 Si2 -","- Cl3 O7 Pr3 Si2 -","- Cl6 O14 Pr6 Si4 -","2","1","","Sieke, C.; Schleid, T.","Pr4 S3 (Si2 O7) und Pr3 Cl3 (Si2 O7) : durch weiche Fremdanionen modifizierte Derivate von Praseodymsilicat","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","196","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","147856","2020-10-21","18:00:00",""
"1526902","7.021","","8.393","","4.94","","90","","109.71","","90","","274.046","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Sc (P2 O7)","","- Li O7 P2 Sc -","- Li O7 P2 Sc -","- Li2 O14 P4 Sc2 -","2","1","","Vitins, G.; Kanepe, Z.; Vitins, A.; Dindune, A.; Ronis, J.; Lusis, A.","Structural and conductivity studies in Li Fe P2 O7, Li Sc P2 O7 and Na Sc P2 O7","Journal of Solid State Electrochemistry","2000","4","","146","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527409","7.9814","","6.0657","","4.9054","","90","","93.95","","90","","236.92","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Na (B Si2 O5) (O H)2","","- B H2 Na O7 Si2 -","- B H2 Na O7 Si2 -","- B2 H4 Na2 O14 Si4 -","2","1","","Ghose, S.; Wan, C.","Structural chemistry of borosilicates, part II: Searlesite, Na B Si2 O5 (O H): Absolute configuration, hydrogen locations, and refinement of the structure","American Mineralogist","1976","61","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528860","10.933","","9.429","","14.276","","90","","96.538","","90","","1462.1","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","Cu3 (I)3 (P H2 B H2 N (C H3)3)3","","- C9 H39 B3 Cu3 I3 N3 P3 -","- C9 H39 B3 Cu3 I3 N3 P3 -","- C18 H78 B6 Cu6 I6 N6 P6 -","2","1","","Schwan, K.C.; Adolf, A.; Scheer, M.; Bodensteiner, M.; Zabel, M.","Synthesis and crystal structures of novel copper(I) complexes of a phosphanylborane","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1383","1387","","","","","","","","","","","","","","","","","","","","","","has coordinates","151605","2020-10-21","18:00:00",""
"1529064","9.2715","0.0004","36.7577","0.0015","11.3129","0.0005","90","","90.098","0.004","90","","3855.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 N8 O9 -","- C37 H54 N8 O9 -","- C148 H216 N32 O36 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","x-ray","0.71073","MoKα","","0.2072","0.157","","","0.3787","0.411","","","","","","1.063","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529065","13.3658","0.0002","9.4864","0.0001","17.7634","0.0002","90","","104.204","0.001","90","","2183.42","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N8 O13 -","- C39.275 H65.1 N8 O12.275 -","- C78.55 H130.2 N16 O24.55 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.0623","0.0575","","","0.1487","0.1518","","","","","","1.08","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529067","17.7309","0.0007","9.6245","0.0003","26.236","0.001","90","","107.755","0.004","90","","4263.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C156 H256 N32 O48 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1477","0.0918","","","0.2165","0.253","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529068","9.769","0.005","13.318","0.005","17.543","0.005","90","0.005","103.191","0.005","90","0.005","2222.2","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C78 H128 N16 O24 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71069","MoKα","","0.0658","0.0571","","","0.1425","0.1496","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529213","7.946","0.0007","9.4371","0.0009","9.6309","0.001","90","","100.506","0.003","90","","710.09","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0446","0.038","","","0.0998","0.1154","","","","","","1.085","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529257","11.1369","0.0006","12.7954","0.0006","13.7775","0.0006","90","","105.869","0.005","90","","1888.49","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C76 H80 N8 O20 S4 -","4","2","","Feng, Huan-Xi; Tan, Rui; Liu, Yan-Kai","An Efficient One-Pot Approach to the Construction of Chiral Nitrogen-Containing Heterocycles under Mild Conditions.","Organic letters","2015","17","15","3794","3797","10.1021/acs.orglett.5b01772","","","1.54184","CuKα","","0.07","0.0534","","","0.1288","0.1436","","","","","","1.048","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529284","8.2578","0.0003","7.6701","0.0003","12.4589","0.0005","90","","99.389","0.003","90","","778.55","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C34 H54 N2 O4 -","2","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","","1.54178","CuKα","","0.0423","0.0389","","","0.1047","0.1103","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529285","8.5383","0.0005","7.6057","0.0004","12.8523","0.0008","90","","104.589","0.007","90","","807.71","0.09","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","x-ray","0.71073","MoKα","","0.0517","0.0377","","","0.0666","0.0686","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529298","9.9993","0.0002","12.9855","0.0002","13.4171","0.0002","90","","110.184","0.002","90","","1635.17","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H44 N4 O6 -","- C40 H44 N4 O6 -","- C80 H88 N8 O12 -","2","1","","Zhang, Wei; Huang, Xiao-Jun; Zhang, Sheng-Yuan; Zhang, Dong-Mei; Jiang, Ren-Wang; Hu, Jian-Yang; Zhang, Xiao-Qi; Wang, Lei; Ye, Wen-Cai","Geleganidines A-C, Unusual Monoterpenoid Indole Alkaloids from Gelsemium elegans.","Journal of natural products","2015","78","8","2036","2044","10.1021/acs.jnatprod.5b00351","","","1.54178","CuKα","","0.0435","0.0404","","","0.1044","0.1088","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529299","8.3147","0.0006","19.2037","0.0013","14.1567","0.001","90","","102.128","0.002","90","","2210","0.3","120","2","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H68 N6 O9 -","- C43 H67 N6 O9 -","- C86 H134 N12 O18 -","2","1","","Cayuela, Angelina; Kennedy, Stuart R.; Soriano, M. Laura; Jones, Christopher D.; Valcárcel, Miguel; Steed, Jonathan W.","Fluorescent carbon dot‒molecular salt hydrogels","Chem. Sci.","2015","6","11","6139","","10.1039/C5SC01859E","","","0.71073","MoKα","","0.0695","0.0572","","","0.1404","0.1492","","","","","","1.029","","","","has coordinates,has disorder","170980","2020-10-21","18:00:00",""
"1529306","7.9409","0.0005","6.3235","0.0006","13.5701","0.0009","90","","97.834","0.006","90","","675.05","0.09","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Hyldgaard, Mette G.; Purup, Stig; Bond, Andrew D.; Fretté, Xavier C; Qu, Haiyan; Jensen, Katrine T.; Christensen, Lars P.","Guaianolides and a seco-Eudesmane from the Resinous Exudates of Cushion Bush (Leucophyta brownii) and Evaluation of Their Cytostatic and Anti-inflammatory Activity.","Journal of natural products","2015","78","8","1877","1885","10.1021/acs.jnatprod.5b00208","","","0.7107","MoKα","","0.053","0.0424","","","0.0983","0.1025","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529317","8.499","","8.394","","11.73","","90","","104.19","","90","","811.292","","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 I N5 -","- C16 H14 I N5 -","- C32 H28 I2 N10 -","2","1","","Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K.","Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.","Journal of medicinal chemistry","2015","58","15","5930","5941","10.1021/acs.jmedchem.5b00529","","","1.5418","CuKα","","0.0654","0.0613","","","0.1525","0.164","","","","","","1.217","","","","has coordinates","154669","2020-10-21","18:00:00",""
"1529349","10.6416","0.0003","13.3076","0.0006","17.3445","0.0005","90","","92.328","0.002","90","","2454.2","0.15","293","2","293.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl2 Cu2 O6 P2 S2 -","- C36 H62 Cl2 Cu2 O6 P2 S2 -","- C72 H124 Cl4 Cu4 O12 P4 S4 -","2","1","","Wang, Ding; Cao, Peng; Wang, Bing; Jia, Tao; Lou, Yazhou; Wang, Min; Liao, Jian","Copper(I)-Catalyzed Asymmetric Pinacolboryl Addition of N-Boc-imines Using a Chiral Sulfoxide-Phosphine Ligand.","Organic letters","2015","17","10","2420","2423","10.1021/acs.orglett.5b00934","","","0.71073","MoKα","","0.0651","0.0471","","","0.1096","0.1219","","","","","","1.023","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529396","21.6418","0.0013","6.1229","0.0002","21.6668","0.0012","90","","116.016","0.007","90","","2580.2","0.3","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C26 H18 N2 O11 -","- C26 H18 N2 O11 -","- C104 H72 N8 O44 -","4","2","","Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.","Journal of natural products","2015","78","8","1963","1968","10.1021/acs.jnatprod.5b00304","","","1.54184","CuKα","","0.0981","0.0924","","0.2447","0.2405","0.2447","","","","","","1.0402","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529402","5.225","0.0004","13.44","0.0011","11.8487","0.001","90","","90.133","0.002","90","","832.06","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","wd154","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C38 H40 Br2 N2 O2 -","2","1","","Dziechciejewski, Wojciech J.; Weber, Regina; Sowada, Oliver; Boysen, Mike M. K.","Cycloalkene Carbonitriles in Rhodium-Catalyzed 1,4-Addition and Formal Synthesis of Vabicaserin.","Organic letters","2015","17","17","4132","4135","10.1021/acs.orglett.5b01849","","","0.71073","MoKα","","0.0485","0.0464","","","0.1197","0.1215","","","","","","1.087","","","","has coordinates","154795","2020-10-21","18:00:00",""
"1529421","5.917","0.0015","7.864","0.002","13.651","0.003","90","","101.24","0.003","90","","623","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Rybak, Taras; Hall, Dennis G.","Stereoselective and Regiodivergent Allylic Suzuki-Miyaura Cross-Coupling of 2-Ethoxydihydropyranyl Boronates: Synthesis and Confirmation of Absolute Stereochemistry of Diospongin B.","Organic letters","2015","17","17","4156","4159","10.1021/acs.orglett.5b01906","","","0.71073","MoKα","","0.0521","0.0407","","","0.0949","0.0997","","","","","","1.035","","","","has coordinates","154793","2020-10-21","18:00:00",""
"1529426","14.86","0.003","23.898","0.005","15.103","0.003","90","","98.87","0.03","90","","5299.3","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene dihydrate dimethylacetamide (2/1.3) methanol (1/0.5) solvate","","- C104.7 H101.78 N1.3 O9.84 P6 Pt3 -","- C104.7 H97.7 N1.3 O9.84 P6 Pt3 -","- C209.4 H195.4 N2.6 O19.68 P12 Pt6 -","2","1","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0625","0.0474","","","0.1255","0.1373","","","","","","1.041","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529446","7.04536","0.00005","13.74167","0.00011","11.14078","0.0001","90","","93.7268","0.0007","90","","1076.31","0.015","160","4","160","4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C48 H64 O8 -","2","1","","Wu, Ping; Yao, Lei; Xu, Liangxiong; Xue, Jinghua; Wei, Xiaoyi","Bisacremines A-D, Dimeric Acremines Produced by a Soil-Derived Acremonium persicinum Strain.","Journal of natural products","2015","78","9","2161","2166","10.1021/np501037x","","","1.5418","CuKα","","0.0418","0.0408","","","0.1111","0.1124","","","","","","1.068","","","","has coordinates","160544","2020-10-21","18:00:00",""
"1529457","11.4215","0.0003","32.7681","0.0009","11.5118","0.0003","90","","116.753","0.001","90","","3847.22","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C176 H208 O48 -","8","4","","Lu, Yuanyuan; Xue, Yongbo; Liu, Junjun; Yao, Guangmin; Li, Dongyan; Sun, Bin; Zhang, Jinwen; Liu, Yanfei; Qi, Changxing; Xiang, Ming; Luo, Zengwei; Du, Guang; Zhang, Yonghui","(±)-Acortatarinowins A-F, Norlignan, Neolignan, and Lignan Enantiomers from Acorus tatarinowii.","Journal of natural products","2015","78","9","2205","2214","10.1021/acs.jnatprod.5b00328","","","1.54178","CuKα","","0.0553","0.0552","","","0.137","0.1377","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529475","10.31","0.01","7.955","0.008","11.875","0.012","90","","90.15","0.02","90","","973.9","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-1-(2,4-dinitrophenyl)-2-(2-(iodomethyl)-2-phenylcyclohexylidene)hydrazine","","- C19 H19 I N4 O4 -","- C19 H19 I N4 O4 -","- C38 H38 I2 N8 O8 -","2","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0414","0.0375","","","0.1044","0.1078","","","","","","1.043","","","","has coordinates","170962","2020-10-21","18:00:00",""
"1529507","6.3155","0.0003","7.7433","0.0004","15.0935","0.0009","90","","100.579","0.003","90","","725.57","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0386","0.0382","","","0.0971","0.0976","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529509","6.309","0.002","7.753","0.002","15.117","0.005","90","","100.736","0.014","90","","726.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0237","0.0234","","","0.0573","0.0576","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529847","9.702","0.003","7.4213","0.0019","12.862","0.004","90","","103.265","0.005","90","","901.4","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0396","","","","0.0959","","","","","","1.05","","","","has coordinates","154506","2020-10-21","18:00:00",""
"1529873","11.5233","0.0013","7.6374","0.0008","11.6452","0.0013","90","","110.244","0.002","90","","961.56","0.18","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Reddy, B. V. Subba; Reddy, C. Ravikumar; Reddy, M. Rajashekhar; Yarlagadda, Suresh; Sridhar, B.","Substrate Directed C-H Activation for the Synthesis of Benzo[c]cinnolines through a Sequential C-C and C-N Bond Formation.","Organic letters","2015","17","15","3730","3733","10.1021/acs.orglett.5b01717","","","0.71073","MoKα","","0.0621","0.0601","","","0.1826","0.1846","","","","","","1.152","","","","has coordinates","154524","2020-10-21","18:00:00",""
"1530010","4.937","","6.746","","7.764","","90","","106.13","","90","","248.401","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Te O F3","","- F3 K O Te -","- F3 K O Te -","- F6 K2 O2 Te2 -","2","1","","Gorbunova, Yu.E.; Linde, S.A.; Buslaev, Yu.A.; Pakhomov, V.I.; Kokunov, Yu.V.","Structure of crystalline oxofluoride compounds of tellurium(IV)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530372","5.514","","5.734","","7.973","","90","","90.42","","90","","252.078","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Na3 (Fe F6)","","- F6 Fe Na3 -","- F6 Fe Na3 -","- F12 Fe2 Na6 -","2","1","","Matvienko, E.N.; Yakubovich, O.V.; Simonov, M.A.; Ivashchenko, A.N.; Belov, N.V.; Mel'nikov, O.K.","The crystal structure of the synthetic Fe-cryolite Na3 Fe F6","Doklady Akademii Nauk SSSR","1981","257","","105","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530387","16.472","0.002","18.563","0.0004","11.996","0.002","90","","92.581","0.01","90","","3664.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","2","","Fanelli, Roberto; Salah, Khoubaib Ben Haj; Inguimbert, Nicolas; Didierjean, Claude; Martinez, Jean; Cavelier, Florine","Access to α,α-Disubstituted Disilylated Amino Acids and Their Use in Solid-Phase Peptide Synthesis.","Organic letters","2015","17","18","4498","4501","10.1021/acs.orglett.5b02175","","","1.54184","CuKα","","0.091","0.0711","","","0.1853","0.2092","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530391","7.3331","0.0001","10.1624","0.0002","19.3573","0.0003","90","","97.23","","90","","1431.07","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O5 -","- C32 H48 O5 -","- C64 H96 O10 -","2","1","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.1036","0.1026","","","0.2723","0.2762","","","","","","1.366","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530393","7.9562","0.0003","33.6801","0.0014","12.617","0.0005","90","","107.429","0.002","90","","3225.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 O6 -","- C34 H54 O6 -","- C136 H216 O24 -","4","2","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0701","0.0663","","","0.1867","0.1902","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530650","8.523","","11.132","","10.609","","90","","98.36","","90","","995.865","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Na6 Hf (S O4)5 (H2 O)","","- H2 Hf Na6 O21 S5 -","- H Hf Na6 O21 S5 -","- H2 Hf2 Na12 O42 S10 -","2","1","","Rogachev, D.L.; Kuznetsov, V.Ya.; Dikareva, L.M.; Sadikov, G.G.; Porai-Koshits, M.A.","Structure of the double sulfate of hafnium and sodium Hf (S O4)2 (Na2 S O4)3 (H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1980","21","","148","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530654","7.401","","17.439","","7.293","","90","","105.44","","90","","907.308","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ca (Al2 Si6 O16) (H2 O)5","","- Al2 Ca H10 O21 Si6 -","- Al2 Ca O21 Si6 -","- Al4 Ca2 O42 Si12 -","2","1","","Rouse, R.C.; Peacor, D.R.","Crystal structure of the zeolite mineral goosecreekite, Ca Al2 Si6 O16 (H2 O)5","American Mineralogist","1986","71","","1494","1501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530680","6.931","","7.69","","6.984","","90","","109.69","","90","","350.478","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","K2 (U2 O7)","","- K2 O7 U2 -","- K2 O7 U2 -","- K4 O14 U4 -","2","1","","Saine, M.C.","Synthese et Structure de K U2 O7 Monoclinique","Journal of the Less-Common Metals","1989","154","","361","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","155819","2020-10-21","18:00:00",""
"1530690","7.378","0.0005","14.3067","0.001","36.57","0.003","90","","92.36","0.001","90","","3856.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H60.5 Br N2 O5.25 S2 -","- C38 H60.5 Br N2 O5.25 S2 -","- C152 H242 Br4 N8 O21 S8 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","x-ray","0.71073","MoKα","","0.1177","0.0678","","","0.1592","0.188","","","","","","0.981","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530838","6.9","","7.16","","9.1","","90","","86","","90","","448.481","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Co Br2 (H2 O)6","","- Br2 Co H12 O6 -","- Br2 Co O6 -","- Br4 Co2 O12 -","2","1","","Stroganov, E.V.; Kozhina, I.I.; Andreev, S.N.; Solov'ev, V.E.","Investigation of crystal structure of hydrates of metal salts of transition elements the crystal structure of Co Br26 (H2 O)","Vestnik Leningradskogo Universiteta, Fizika, Khimiya","1961","1961","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530857","6.506","","11.368","","8.338","","90","","90.79","","90","","616.622","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Mn U O2 (S O4)2 (H2 O)5","","- H10 Mn O15 S2 U -","- Mn O15 S2 U -","- Mn2 O30 S4 U2 -","2","1","","Tabachenko, V.V.; Serezhkin, V.I.; Serezhkina, L.B.; Kovba, L.M.","Crystal structure of manganese sulfatouranylate Mn U O2 (S O4)2 (H2 O)5","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1563","1568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531020","9.814","","8.261","","7.619","","90","","108.5","","90","","585.778","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca O (B2 O3)4 (H2 O)2","","- B8 Ca H4 O15 -","- B8 Ca O15 -","- B16 Ca2 O30 -","2","1","","Zayakina, N.V.; Brovkin, A.A.","Crystal structure of Ca O (B2 O3)4 (H2 O)2 = Ca B8 O11 (O H)4","Kristallografiya","1978","23","","1167","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531044","7.0717","0.0001","8.8439","0.0001","19.5443","0.0003","90","","96.556","0.001","90","","1214.33","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C60 H44 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0766","0.0746","","","0.223","0.2278","","","","","","0.961","","","","has coordinates,has disorder","170977","2020-10-21","18:00:00",""
"1531046","8.1626","0.0001","12.2302","0.0002","11.0742","0.0001","90","","101.402","0.001","90","","1083.72","0.02","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C54 H46 N2 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0371","0.0365","","","0.0941","0.1","","","","","","1.107","","","","has coordinates","170977","2020-10-21","18:00:00",""
"1531336","7.474","","7.636","","7.461","","90","","120","","90","","368.762","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs0.4 Zn0.4 Fe1.6 F6","","- Cs0.4 F6 Fe1.6 Zn0.4 -","- Cs0.4 F6 Fe1.6 Zn0.4 -","- Cs1.2 F18 Fe4.8 Zn1.2 -","3","1.5","","Hartung, A.; Verscharen, W.; Binder, F.; Babel, D.","Die pseudohexagonale Wolframbronzestruktur der monoklinen Phase Cs0.4 Zn0.4 Fe1.6 F6 und verwandter Caesium-Uebergangsmetallfluoride","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","106","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","156768","2020-10-21","18:00:00",""
"1531570","10.655","","5.9418","","14.57","","90","","111.34","","90","","859.181","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K (C F3 (S O3))","","- C F3 K O3 S -","- C F3 K O3 S -","- C6 F18 K6 O18 S6 -","6","3","","Korus, G.; Jansen, M.","Kristallstruktur, Phasenumwandlung und Kaliumionenleitfaehigkeit von Kaliumtrifluormethylsulfonat","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1599","1605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531795","6.58475","0.00012","12.3394","0.0002","13.1873","0.0003","90","","101.317","0.0018","90","","1050.66","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O9 -","- C22 H26 O9 -","- C44 H52 O18 -","2","1","","Wang, Yuezhou; Qi, Shuang; Zhan, Ying; Zhang, Nanwen; Wu, An-An; Gui, Fu; Guo, Kai; Yang, Yanru; Cao, Shugeng; Hu, Zhiyu; Zheng, Zhonghui; Song, Siyang; Xu, Qingyan; Shen, Yuemao; Deng, Xianming","Aspertetranones A-D, Putative Meroterpenoids from the Marine Algal-Associated Fungus Aspergillus sp. ZL0-1b14.","Journal of natural products","2015","78","10","2405","2410","10.1021/acs.jnatprod.5b00487","","","1.54184","CuKα","","0.0252","0.0251","","","0.0663","0.0664","","","","","","1.045","","","","has coordinates","170087","2020-10-21","18:00:00",""
"1532116","4.8091","","8.0574","","6.928","","90","","109.379","","90","","253.243","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Fe (P2 O7)","","- Fe Li O7 P2 -","- Fe Li O7 P2 -","- Fe2 Li2 O14 P4 -","2","1","","Rousse, G.; Rodriguez-Carvajal, J.; Wurm, C.; Masquelier, C.","A neutron diffraction study of the antiferromagnetic diphosphate Li Fe P2 O7","Solid State Sciences","2002","4","","973","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532382","7.667","","17.351","","11.97","","90","","101.61","","90","","1559.79","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ce Cd4 Cl11 (H2 O)13","","- Cd4 Ce Cl11 H26 O13 -","- Cd4 Ce Cl11 O13 -","- Cd8 Ce2 Cl22 O26 -","2","1","","Yahyaoui, S.; Naili, H.; Daran, J.C.; Ben Hassen, R.; Donadieu, B.; Ben Salah, A.","Crystal structure and thermal study of the new hydrated cadmium - cerium(III) chloride Ce Cd4 Cl11 * 13(H2 O)","Journal of Solid State Chemistry","2003","173","","328","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532474","10.2741","0.0005","14.6818","0.0007","14.6417","0.0007","90","","102.077","0.003","90","","2159.71","0.18","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H63 Ge N Si -","- C50 H63 Ge N Si -","- C100 H126 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0588","0.0426","","","0.0897","0.0965","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532500","10.0901","0.0007","23.7955","0.0017","31.205","0.002","90","","90.532","0.002","90","","7492","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H72 B F24 I P3 Pd -","- C68 H72 B F24 I P3 Pd -","- C272 H288 B4 F96 I4 P12 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0658","0.0632","","","0.1651","0.1675","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532741","10.7411","","11.9678","","11.7722","","90","","116.062","","90","","1359.41","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","La6 (Mo8 O33)","","- La6 Mo8 O33 -","- La6 Mo8 O33 -","- La12 Mo16 O66 -","2","1","","Brize, V.; Georges, S.; Kodjikian, S.; Goutenoire, F.; Suard, E.","La6 Mo8 O33 : a new ordered defect scheelite superstructure","Journal of Solid State Chemistry","2004","177","","2617","2627","","","","","","","","","","","","","","","","","","","","","","has coordinates","158719","2020-10-21","18:00:00",""
"1533455","7.334","","5.32","","16.022","","90","","96.34","","90","","621.305","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ba3 Cu2 Al2 F16","","- Al2 Ba3 Cu2 F16 -","- Al2 Ba3 Cu2 F16 -","- Al4 Ba6 Cu4 F32 -","2","1","","Gredin, P.; Corbel, G.; Wright, J.P.; Dupont, N.; de Kozak, A.","The crystal structure of Ba3 Cu2 Al2 F16: a relative of Ba4 Cu2 Al3 F21","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1960","1964","","","","","","","","","","","","","","","","","","","","","","has coordinates","159699","2020-10-21","18:00:00",""
"1533742","5.7769","","5.602","","8.9722","","90","","102.893","","90","","283.04","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hg (I O3)2","","- Hg I2 O6 -","- Hg I2 O6 -","- Hg2 I4 O12 -","2","1","","Bentria, B.; Bagieu-Beucher, M.; Benbertal, D.; Mosset, A.; Zaccaro, J.","Crystal engineering strategy for quadratic nonlinear optics. Part II: Hg (I O3)2","Solid State Sciences","2003","5","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533752","15.85","","14.986","","18.23","","90","","107.329","","90","","4133.59","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Bi6 O4.5 (O H)3.5)2 (N O3)11","","- Bi12 H7 N11 O49 -","- Bi12 N11 O49 -","- Bi48 N44 O196 -","4","2","","Henry, N.; Deniard, P.; Evain, M.; Jobic, S.; Mentre, O.; Abraham, F.","(Bi6 O4.5 (O H)3.5)2 (N O3)11: a new anhydrous bismuth basic nitrate. Synthesis and structure determination from twinned crystals","Journal of Solid State Chemistry","2003","176","","127","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533879","5.70751","","7.04953","","5.4693","","90","","122.365","","90","","185.874","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Na Ca (Si O3 (O H))","","- Ca H Na O4 Si -","- Ca H Na O4 Si -","- Ca2 H2 Na2 O8 Si2 -","2","1","","Kenyon, N.J.; Weller, M.T.","The effect of calcium on phase formation in the sodium aluminium silicate carbonate system and the structure of Na Ca Si O3 O H","Microporous and Mesoporous Materials","2003","59","","185","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534099","13.9954","0.0019","19.389","0.003","14.02","0.002","90","","115.309","0.002","90","","3439.3","0.9","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 Cl N4 O4 P -","- C62 H60 Cl N4 O4 P -","- C124 H120 Cl2 N8 O8 P2 -","2","1","","Gao, Xing; Han, Jianwei; Wang, Limin","Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.","Organic letters","2015","17","18","4596","4599","10.1021/acs.orglett.5b02323","","","0.71073","MoKα","","0.1028","0.0861","","","0.2341","0.2495","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534100","12.0658","0.001","17.7295","0.0013","13.2309","0.001","90","","104.155","0.002","90","","2744.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H65 N4 O5 P -","- C65 H65 N4 O5 P -","- C130 H130 N8 O10 P2 -","2","1","","Gao, Xing; Han, Jianwei; Wang, Limin","Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.","Organic letters","2015","17","18","4596","4599","10.1021/acs.orglett.5b02323","","","0.71073","MoKα","","0.1192","0.06","","","0.1167","0.1386","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534110","10.469","0.003","11.122","0.003","11.473","0.004","90","","92.129","0.015","90","","1335","0.7","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 I N3 O4 S -","- C25 H22 Cl2 I N3 O4 S -","- C50 H44 Cl4 I2 N6 O8 S2 -","2","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.","Organic letters","2015","17","18","4424","4427","10.1021/acs.orglett.5b02026","","x-ray","0.71073","MoKα","","0.072","0.0503","","","0.1055","0.1149","","","","","","0.999","","","","has coordinates","160462","2020-10-21","18:00:00",""
"1534111","9.9179","0.0015","5.7432","0.0007","14.186","0.002","90","","95.817","0.009","90","","803.88","0.19","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","CBT-V-255-01","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.","Organic letters","2015","17","18","4424","4427","10.1021/acs.orglett.5b02026","","x-ray","0.71073","MoKα","","0.1043","0.0448","","","0.0803","0.096","","","","","","1","","","","has coordinates,has disorder","160463","2020-10-21","18:00:00",""
"1534112","11.3632","0.0014","11.802","0.0015","15.831","0.002","90","","109.817","0.002","90","","1997.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 S -","- C21 H21 N O5 S -","- C84 H84 N4 O20 S4 -","4","2","","Qiao, Baokun; Huang, Yin-Jun; Nie, Jing; Ma, Jun-An","Highly Regio-, Diastereo-, and Enantioselective Mannich Reaction of Allylic Ketones and Cyclic Ketimines: Access to Chiral Benzosultam.","Organic letters","2015","17","18","4608","4611","10.1021/acs.orglett.5b02351","","","0.71073","MoKα","","0.0436","0.0376","","","0.0993","0.1041","","","","","","1.03","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1534128","11.1595","0.0011","6.7253","0.0007","11.4275","0.0012","90","","103.413","0.001","90","","834.25","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0359","0.0334","","","0.0849","0.0872","","","","","","1.033","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534425","4.204","","10.422","","12.491","","90","","93.9","","90","","546.014","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","C (N H2)2 N H C S2","","- C2 H5 N3 S2 -","- C2 H5 N3 S2 -","- C8 H20 N12 S8 -","4","2","","Gattow, G.; Eul, W.; Kiel, G.","Untersuchungen ueber Guanidinodithioformiate 4. Kristall- und Molekuelstruktur der Guanidinodithioameisensaeure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","497","","167","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","161157","2020-10-21","18:00:00",""
"1534492","6.243","","5.807","","8.424","","90","","102.83","","90","","297.771","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ce Zr F7","","- Ce F7 Zr -","- Ce F7 Zr -","- Ce2 F14 Zr2 -","2","1","","Genkina, E.A.; Maksimov, B.A.; Fedorov, P.P.","Crystal structure of CeZrF7 - a representative of the family of Ln(Zr,Hf)F7 compounds.","Kristallografiya","1994","39","","422","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534571","7.661","","7.971","","10.074","","90","","118.39","","90","","541.191","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Tl2 (Zn I4)","","- I4 Tl2 Zn -","- I4 Tl2 Zn -","- I8 Tl4 Zn2 -","2","1","","Ammlung, R.L.; Scaringe, R.P.; Whitmore, D.H.; Ibers, J.A.; Shriver, D.F.","Trends in heavy-metal solid state ionic conductors: a comparison of Cu+, Ag+, IN+, and Tl+ transport","Journal of Solid State Chemistry","1979","29","","401","415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534992","7.596","","20.033","","7.624","","90","","91.157","","90","","1159.91","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4)2 ((V O)6 O2 (O H)2 (S O3)4 (H2 O)2)","","- H14 N2 O24 S4 V6 -","- N2 O24 S4 V6 -","- N4 O48 S8 V12 -","2","1","","Manos, M.J.; Miras, H.N.; Tangoulis, V.; Kabanos, T.A.; Slawin, A.M.Z.; Woollins, J.D.","Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies","Angew. Chem. Int. ed.","2003","42","","425","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","162091","2020-10-21","18:00:00",""
"1535074","12.158","","10.7","","12.671","","90","","92.03","","90","","1647.34","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K7 Na (Ta6 O19) (H2 O)14","","- H28 K7 Na O33 Ta6 -","- K7 Na O33 Ta6 -","- K14 Na2 O66 Ta12 -","2","1","","Hartl, H.; Pickhard, F.","Die Kristallstrukturen von K8 Ta6 O19 . 16(H2 O) und K7 Na Ta6 O19 . 14(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1311","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535145","8.29","","15.22","","8.59","","90","","111.56","","90","","1008","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Ca (Xe F2)4) (As F6)2","","- As2 Ca F20 Xe4 -","- As2 Ca F20 Xe4 -","- As4 Ca2 F40 Xe8 -","2","1","","Benkic, P.; Tramsek, M.; Zemva, B.","(Ca (Xe F2)4) (As F6)2: (n = 4, 2.5): the first coordination compounds of Ca(2+) with Xe F2 ligand","Solid State Sciences","2002","4","","1425","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535286","15.352","","6.184","","9.566","","90","","108.8","","90","","859.714","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Rb (D2 P O4)","","- D2 O4 P Rb -","- O4 P Rb -","- O32 P8 Rb8 -","8","4","","Suzuki, S.; Arai, K.; Sumita, M.; Makita, Y.","X-ray diffraction study of monoclinic Rb D2 P 04","Journal of the Physical Society of Japan","1983","52","","2394","2400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535499","7.344","","13.656","","10.483","","90","","102.04","","90","","1028.21","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca (Si2 O2 N2)","","- Ca N2 O2 Si2 -","- Ca N2 O2 Si2 -","- Ca12 N24 O24 Si24 -","12","6","","Hoeppe, H.A.; Stadler, F.; Oeckler, O.; Schnick, W.","Ca [Si2 O2 N2] - A Novel Layer Silicate","Angew. Chem. Int. ed.","2004","43","","5540","5542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535907","7.906","","6.372","","4.883","","90","","107.73","","90","","234.307","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs (D2 P O4)","","- Cs D2 O4 P -","- Cs D2 O4 P -","- Cs2 D4 O8 P2 -","2","1","","Itoh, K.; Hagiwara, T.; Nakamura, E.","Order disorder type phase transition in ferroelectric Cs D2 P O4 studied by X-ray structure analysis","Journal of the Physical Society of Japan","1983","52","","2626","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535957","7.594","","5.762","","7.174","","90","","107.62","","90","","299.183","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ba Sn2 O2 (O H)2","","- Ba H2 O4 Sn2 -","- Ba H2 O4 Sn2 -","- Ba2 H4 O8 Sn4 -","2","1","","Nesper, R.; von Schnering, H.G.","Barium-Oxohydroxostannat(II) Ba (Sn O (O H)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","499","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536159","9.137","","4.097","","12.765","","90","","111.75","","90","","443.83","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Tl Sb Se2","","- Sb Se2 Tl -","- Sb Se2 Tl -","- Sb4 Se8 Tl4 -","4","2","","Wacker, K.; Salk, M.; Decker-Schultheiss, G.; Keller, E.","Die Kristallstruktur der geordneten Phase der Verbindung Tl Sb Se2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","606","","51","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536372","6.2051","","8.3444","","11.7028","","90","","93.564","","90","","604.774","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(Hg2) (N O3)2","","- Hg2 N2 O6 -","- Hg2 N2 O6 -","- Hg8 N8 O24 -","4","2","","Weil, M.","Single crystal growth and crystal structure of anhydrous mercury(I) nitrate, Hg2 (N O3)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1547","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","164051","2020-10-21","18:00:00",""
"1536379","8.136","","6.126","","9.84","","90","","100.95","","90","","481.508","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Cs Hg2 Cl5","","- Cl5 Cs Hg2 -","- Cl5 Cs Hg2 -","- Cl10 Cs2 Hg4 -","2","1","","Pakhomov, V.I.; Ivanova-Korfini, I.I.; Goryunov, A.V.; Lotfullin, R.Sh.; Boguslavskii, A.A.","Structure of CsHg2Cl5 crystals","Zhurnal Neorganicheskoi Khimii","1991","36","","1408","1413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536564","12.846","","13.857","","9.651","","90","","109.43","","90","","1620.11","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(Cu I)3 P12","","- Cu3 I3 P12 -","- Cu3 I3 P12 -","- Cu12 I12 P48 -","4","2","","Pfitzner, A.; Freudenthaler, E.","(Cu I)3 P12: a solid containing a new polymer of phosphorus predicted by theory","Angewandte Chemie (Edition international)","1995","34","","1647","1649","","","","","","","","","","","","","","","","","","","","","","has coordinates","164315","2020-10-21","18:00:00",""
"1537008","33.6265","","6.4023","","19.0593","","90","","90.192","","90","","4103.19","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Cu Br)3 (P4 Se4)","","- Br3 Cu3 P4 Se4 -","- Br3 Cu3 P4 Se4 -","- Br36 Cu36 P48 Se48 -","12","6","","Reiser, S.; Nilges, T.; Pfitzner, A.","(Cu Br)3 P4 Se4: a low symmetric variant of the (Cu I)3 P4 Se4 structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","563","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","164952","2020-10-21","18:00:00",""
"1537215","9.2968","","4.1706","","9.1984","","90","","92.827","","90","","356.218","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(N H4) (Hg Cl2 (S C N))","","- C H4 Cl2 Hg N2 S -","- C Cl2 Hg N2 S -","- C2 Cl4 Hg2 N4 S2 -","2","1","","Gacemi, A.; Benbertal, D.; Mosset, A.; Bagieu-Beucher, M.; Lecchi, A.","Two mercury chloro thiocyanate complexes: N H4(Hg Cl2(S C N)) and N H4(Hg Cl(S C N)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2516","2520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537247","13.25","","10.426","","16.596","","90","","107.23","","90","","2189.76","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K8 ((O2 N)6 Pt3 O3 Pt O3 Pt3 (N O2)6) (H2 O)7","","- H14 K8 N12 O37 Pt7 -","- K8 N12 O37 Pt7 -","- K16 N24 O74 Pt14 -","2","1","","Lapkin, V.V.; Surazhskaya, M.D.; Shubochkin, L.K.; Larina, T.B.; Koz'min, P.A.","Synthesis and structure of new seven-nuclear platinum oxonitrocomplex of mixed valency K8((O2N)6Pt3(mue-O)3 PtIV(mue-O)3Pt3(NO2)6) 7H2O","Zhurnal Neorganicheskoi Khimii","1991","36","","609","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","165291","2020-10-21","18:00:00",""
"1537600","8.43","","25.8","","7.91","","90","","90","","90","","1720.38","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Pb7 As9 S20","","- As9 Pb7 S20 -","- As9 Pb7 S20 -","- As18 Pb14 S40 -","2","1","","le Bihan, M.T.","Recherches structurales sur les sulfo-arseniures naturels du gisement de Binn.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1959","249","","719","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","165878","2020-10-21","18:00:00",""
"1537601","24.52","","7.91","","8.43","","90","","90","","90","","1635.03","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Pb6 As10 S20","","- As10 Pb6 S20 -","- As10 Pb6 S20 -","- As20 Pb12 S40 -","2","1","","le Bihan, M.T.; Petiau, J.","Contribution a l'etude structurale des sulfo-arseniures de plomb du gisement de Binn. Structure cristalline de la rathite III.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","2196","2198","","","","","","","","","","","","","","","","","","","","","","has coordinates","165879","2020-10-21","18:00:00",""
"1538051","5.7","","10.76","","5.73","","90","","99.8","","90","","346.304","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Pt U -","- Pt U -","- Pt8 U8 -","8","4","","Frings, P.H.; Vettier, C.; Menovsky, A.; Dommann, A.; Hulliger, F.","The magnetic and nuclear structure of U Pt","Physik (Berlin)","1989","156","","832","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538322","8.115","","6.459","","5.483","","90","","101.3","","90","","281.819","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","N H4 (P O S (N H2)2)","","- H8 N3 O P S -","- H8 N3 O P S -","- H16 N6 O2 P2 S2 -","2","1","","Mootz, D.; Look, W.; Sassmannshausen, G.","Die Kristallstruktur von Ammonium-diamidothiophosphat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","358","","282","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538420","6.4479","0.001","40.961","0.005","17.888","0.003","90","","91.687","0.008","90","","4722.4","1.2","122","2","122","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-((12R,14R)-6-isobutyryl-12,14-diisopropyl-2.2.4.4.8.8.10,10-octamethyl- 1,3,9,11-teraoxo-1,2,3,4,8,9,10,11,12,14-decahydrochromeno[3,2-b]xanthen-13-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","","- C48 H55 F3 O10 -","- C48 H55 F3 O10 -","- C192 H220 F12 O40 -","4","2","","Hans, Marcus; Charpentier, Maël; Huch, Volker; Jauch, Johann; Bruhn, Torsten; Bringmann, Gerhard; Quandt, Dietmar","Stereoisomeric Composition of Natural Myrtucommulone A.","Journal of natural products","2015","78","10","2381","2389","10.1021/acs.jnatprod.5b00358","","","0.71073","MoKα","","0.1333","0.0915","","","0.1989","0.2133","","","","","","1.23","","","","has coordinates,has disorder","255422","2020-10-21","18:00:00",""
"1539688","7.886","","19.278","","7.869","","90","","112.8","","90","","1102.82","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ba3 (Sn2 P4)","","- Ba3 P4 Sn2 -","- Ba3 P4 Sn2 -","- Ba12 P16 Sn8 -","4","2","","Eisenmann, B.; Jordan, H.; Schaefer, H.","Ba3 Sn2 P4, ein neues Inophosphidostannat(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","532","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","168677","2020-10-21","18:00:00",""
"1539796","10.123","","7.503","","12.651","","90","","102.29","","90","","938.859","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Na4 (Rh2 (S O4)4 (H2 O)2) (H2 O)4","","- H12 Na4 O22 Rh2 S4 -","- Na4 O22 Rh2 S4 -","- Na4 O22 Rh2 S4 -","1","0.5","","Dikareva, L.M.; Zefirov, Yu.V.; Baranovskii, I.B.; Zhilyaev, A.N.; Porai-Koshits, M.A.","The molecular structures of binuclear rhodium(II) complexes with different numbers of bridging sulphato-groups","Zhurnal Neorganicheskoi Khimii","1987","32","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","168836","2020-10-21","18:00:00",""
"1540269","9.201","","13.044","","9.888","","90","","109.35","","90","","1119.7","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C (N H2)3)4 (Ti O (C O3)3) (H2 O)2","","- C7 H28 N12 O12 Ti -","- C7 N12 O12 Ti -","- C14 N24 O24 Ti2 -","2","1","","Li, P.-J.; Huang, S.-H.; Huang, K.-Y.; Mak, T.C.W.; Wang, R.-J.","Crystal structure of tetraguanidinium tri(carbonato)oxo titanium(IV) dihydrate, (C(NH2)3)4(TiO(CO3)3) (H2O)2","Inorganica Chimica Acta","1990","175","","105","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540376","10.248","0.002","9.553","0.002","11.932","0.003","90","","99.477","0.004","90","","1152.2","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C32 H54 N2 O16 -","2","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0776","0.0524","","","0.1165","0.1261","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540377","10.375","0.0011","17.5559","0.0019","10.8576","0.0012","90","","95.023","0.002","90","","1970","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","2","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0564","0.0411","","","0.1002","0.1085","","","","","","1.02","","","","has coordinates","170828","2020-10-21","18:00:00",""
"1540378","11.0948","0.0013","6.112","0.0007","15.1863","0.0018","90","","92.704","0.002","90","","1028.7","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C38 H48 N4 O12 S2 -","2","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.048","0.0459","","","0.1208","0.1229","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540379","9.6081","0.0009","10.7346","0.001","20.0544","0.0018","90","","91.493","0.001","90","","2067.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","2","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0462","0.0396","","","0.1067","0.1113","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540413","8.6504","0.0003","9.7776","0.0004","16.3783","0.0006","90","","98.688","0.002","90","","1369.38","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 Se -","- C31 H28 N2 O3 Se -","- C62 H56 N4 O6 Se2 -","2","1","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0392","0.0304","","","0.0683","0.073","","","","","","1.082","","","","has coordinates,has disorder","282777","2023-04-20","11:56:44",""
"1540414","11.244","0.002","7.6728","0.0014","12.837","0.002","90","","98.983","0.004","90","","1093.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S Se -","- C22 H23 Br N2 O2 S Se -","- C44 H46 Br2 N4 O4 S2 Se2 -","2","1","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0201","0.0177","","","0.0381","0.0386","","","","","","1.004","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540452","6.0264","0.0004","14.0749","0.0012","12.3126","0.001","90","","94.934","0.006","90","","1040.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Adduct of N-methylimidazole and 5-methyl-2-phenylbenzo[d][1,3,2]dioxaborole","","- C24 H25 B N2 O2 -","- C24 H25 B N2 O2 -","- C48 H50 B2 N4 O4 -","2","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0561","0.043","","","0.0931","0.1008","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540476","8.719","0.0008","5.6224","0.0006","17.2361","0.0012","90","","96.032","0.008","90","","840.26","0.13","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0534","0.0471","","","0.1243","0.1322","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540482","8.5617","0.0002","5.5085","0.0001","17.2021","0.0005","90","","103.015","0.001","90","","790.45","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","","1.54178","CuKα","","0.0291","0.0288","","","0.0739","0.0741","","","","","","1.039","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540483","9.9132","0.0008","7.0748","0.0006","11.5133","0.0011","90","","104.337","0.009","90","","782.32","0.12","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0371","0.0334","","","0.0834","0.0871","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540514","9.2138","0.0009","7.3606","0.0006","16.9811","0.0012","90","","102.272","0.008","90","","1125.33","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","2","","Guo, Wenqiang; Zhang, Zhenzhen; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Penicyclones A-E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2.","Journal of natural products","2015","78","11","2699","2703","10.1021/acs.jnatprod.5b00655","","","1.5418","CuKα","","0.0545","0.0471","","","0.1215","0.1308","","","","","","1.046","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1540525","12.0328","0.0004","21.7465","0.0006","15.6177","0.0004","90","","95.277","0.001","90","","4069.4","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O15 -","- C40 H53 N O15 -","- C160 H212 N4 O60 -","4","2","","Reis, Mariana A.; André, Vânia; Duarte, M. Teresa; Lage, Hermann; Ferreira, Maria-José U","12,17-Cyclojatrophane and Jatrophane Constituents of Euphorbia welwitschii.","Journal of natural products","2015","78","11","2684","2690","10.1021/acs.jnatprod.5b00631","","","0.71069","MoKα","","0.1149","0.068","","","0.1662","0.1949","","","","","","0.969","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540528","7.132","0.002","27.174","0.006","9.624","0.002","90","","90.614","0.007","90","","1865.1","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","2","","Xie, Chunfeng; Sun, Lingmei; Liao, Kai; Liu, Sheng; Wang, Meicheng; Xu, Jing; Bartlam, Mark; Guo, Yuanqiang","Bioactive ent-Pimarane and ent-Abietane Diterpenoids from the Whole Plants of Chloranthus henryi.","Journal of natural products","2015","78","11","2800","2807","10.1021/acs.jnatprod.5b00781","","","1.54187","CuKα","","0.033","0.0328","","","0.0901","0.0903","","","","","","1.049","","","","has coordinates","170807","2020-10-21","18:00:00",""
"1540529","6.7178","0.0011","17.015","0.002","34.5","0.006","90","","90.064","0.006","90","","3943.5","1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H36 O3 -","- C21 H36 O3 -","- C168 H288 O24 -","8","4","","Xie, Chunfeng; Sun, Lingmei; Liao, Kai; Liu, Sheng; Wang, Meicheng; Xu, Jing; Bartlam, Mark; Guo, Yuanqiang","Bioactive ent-Pimarane and ent-Abietane Diterpenoids from the Whole Plants of Chloranthus henryi.","Journal of natural products","2015","78","11","2800","2807","10.1021/acs.jnatprod.5b00781","","","1.54187","CuKα","","0.038","0.0373","","","0.0972","0.0977","","","","","","1.009","","","","has coordinates","170807","2020-10-21","18:00:00",""
"1540536","6.359","0.002","22.998","0.005","32.023","0.007","90","","90.01","0.001","90","","4683","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C180 H252 N36 O60 -","12","6","","Zhang, Xiaofei; Yang, Haodong; Tang, Pingping","Transition-Metal-Free Oxidative Aliphatic C-H Azidation.","Organic letters","2015","17","23","5828","5831","10.1021/acs.orglett.5b03001","","","1.54187","CuKα","","0.0806","0.0682","","","0.1499","0.1575","","","","","","1.099","","","","has coordinates","170834","2020-10-21","18:00:00",""
"1540545","9.726","0.005","17.928","0.009","17.689","0.009","90","","90.136","0.008","90","","3084","3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl Mg N6 -","- C27 H43 B Cl Mg N6 -","- C108 H172 B4 Cl4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0667","0.0541","","","0.1405","0.1531","","","","","","1.048","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540548","9.724","0.004","18.118","0.007","17.751","0.006","90","","90.132","0.006","90","","3127","2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Br Mg N6 -","- C27 H43 B Br Mg N6 -","- C108 H172 B4 Br4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.088","0.0653","","","0.171","0.1845","","","","","","1.076","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540553","6.7708","0.0003","15.0499","0.0006","18.2635","0.0007","90","","98.942","0.004","90","","1838.43","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methylbut-3-en-1-yl)-N-(4-nitrobenzenesulfonyl)-2-methoxyaniline","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Oda, Susumu; Franke, Jana; Krische, Michael J.","Diene hydroaminomethylation via ruthenium-catalyzed C‒C bond forming transfer hydrogenation: beyond carbonylation","Chem. Sci.","2016","7","1","136","","10.1039/C5SC03854E","","","1.54184","CuKα","","0.043","0.0406","","","0.1088","0.1112","","","","","","1.05","","","","has coordinates","175938","2020-10-21","18:00:00",""
"1540572","8.4033","0.0017","8.2068","0.0016","10.092","0.002","90","","92.33","0.03","90","","695.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","DTABN","4-(di-tert-butylamino)benzonitrile","","- C15 H22 N2 -","- C15 H22 N2 -","- C30 H44 N4 -","2","1","","Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A.","Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.","The journal of physical chemistry. A","2015","119","49","11820","11836","10.1021/acs.jpca.5b09368","","x-ray","1.54178","CuKα","","0.0297","0.0294","","","0.0768","0.077","","","","","","1.026","","","","has coordinates","173599","2020-10-21","18:00:00",""
"1540636","11.421","0.002","9.2213","0.0017","15.188","0.003","90","","106.112","0.003","90","","1536.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Cu0 N4 O8 Zn -","- C32 H34 N4 O8 Zn -","- C64 H68 N8 O16 Zn2 -","2","1","","Tai, Xi-Shi; You, Hai-Ying","A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property","Crystals","2015","5","4","608","","10.3390/cryst5040608","","","0.71073","MoKα","","0.0711","0.0439","","","0.1013","0.1156","","","","","","1.005","","","","has coordinates,has disorder","170840","2020-10-21","18:00:00",""
"1540692","7.72422","0.0001","8.94615","0.00012","17.2197","0.0002","90","","101.049","0.0013","90","","1167.86","0.03","288.94","0.1","288.94","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","2","","Xiao, Wei; Yin, Xiang; Zhou, Zhi; Du, Wei; Chen, Ying-Chun","Asymmetric α,γ-Regioselective [3 + 3] Formal Cycloadditions of α,β-Unsaturated Aldehydes via Cascade Dienamine-Dienamine Catalysis.","Organic letters","2016","18","1","116","119","10.1021/acs.orglett.5b03355","","x-ray","1.54184","CuKα","","0.0319","0.0304","","","0.0856","0.0874","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540724","9.43","0.0019","4.738","0.0009","18.556","0.004","90","","91.27","0.03","90","","828.9","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O4 -","- C15 H24 N4 O4 -","- C30 H48 N8 O8 -","2","1","","Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike","Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation","Energy Environ. Sci.","2016","9","2","644","","10.1039/C5EE03085D","","","0.71073","MoKα","","0.2255","0.2218","","","0.4964","0.5053","","","","","","2.728","","","","has coordinates","177878","2020-10-21","18:00:00",""
"1540726","8.6391","0.0001","7.926","0.0001","11.5438","0.0002","90","","98.41","0.001","90","","781.945","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-19(R)-hydroxyeburnamenine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.0514","0.0419","","","0.0918","0.1068","","","","","","1.071","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540727","14.2796","0.0004","7.9986","0.0002","15.778","0.0005","90","","116.781","0.002","90","","1608.81","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Larutienine B","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","2","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.064","0.0473","","","0.0948","0.1004","","","","","","0.917","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540728","9.9492","0.0005","8.2037","0.0004","13.0494","0.0007","90","","109.845","0.003","90","","1001.84","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Paucidactinine","","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C46 H48 N4 O14 -","2","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.0664","0.0535","","","0.1226","0.1282","","","","","","1.037","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540927","11.52","","5.308","","7.882","","90","","99.3","","90","","475.635","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Na2 Be O2","","- Be Na2 O2 -","- Be Na2 O2 -","- Be8 Na16 O16 -","8","4","","Schuldt, D.; Hoppe, R.","Ueber Synthese und Aufbau von Na2(BeO2): Na8(OBeO2BeO2BeO2BeO)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","578","","119","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541012","11.881","","7.344","","11.762","","90","","111.52","","90","","954.74","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Cs4 (Pb O3)","","- Cs4 O3 Pb -","- Cs4 O3 Pb -","- Cs16 O12 Pb4 -","4","2","","Stoll, H.; Brazel, B.; Hoppe, R.","Neue Oxoplumbate(II) mit Inselstruktur: Rb4 (Pb O3) und Cs4 (Pb O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","564","","45","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541157","5.67","","10.984","","10.601","","90","","93.88","","90","","658.709","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(N2 H6)3 (Zr2 F13) F","","- F14 H18 N6 Zr2 -","- F14 H18 N6 Zr2 -","- F28 H36 N12 Zr4 -","2","1","","Rahten, A.; Leban, I.; Zemva, B.; Milicev, S.","Crystal structure and vibrational spectra of hydrazinium (2+) tri-mue-fluoro bis(pentafluorozirconate (IV)) fluoride and vibrational spectra of its hafnium analogue","Journal of Crystallographic and Spectroscopic Research","1990","20","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541178","9.772","","16.797","","14.812","","90","","96.4","","90","","2416.09","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs2 Ce (S O4)3","","- Ce Cs2 O12 S3 -","- Ce Cs2 O12 S3 -","- Ce8 Cs16 O96 S24 -","8","4","","Rogachev, D.L.; Rastsvetaeva, R.K.; Kuznetsov, V.Ya.; Dikareva, L.M.","Crystal structure of dicesium cerium(IV) tris(sulfate)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1989","30","","105","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541285","11.02","","4.746","","8.646","","90","","98.94","","90","","446.7","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Be (O H)2","","- Be H2 O2 -","- Be H2 O2 -","- Be12 H24 O24 -","12","6","","Nadezhina, T.N.; Burshtein, I.F.; Pushcharovskii, D.Yu.; Rastsvetaeva, R.K.; Voloshin, A.V.","Crystal structure of a new natural form of Be (O H)2","Doklady Akademii Nauk SSSR","1989","305","","95","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541319","9.376","","16.376","","3.623","","90","","101.17","","90","","545.743","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Y4 O (O H)9 (N O3)","","- H9 N O13 Y4 -","- H9 N O13 Y4 -","- H18 N2 O26 Y8 -","2","1","","Norlund Christensen, A.; Nielsen, M.; O'Reilly, K.P.J.; Wroblewski, T.","Structure of Y4 O (O H)9 N O3 from x-ray and neutron powder diffraction data","Acta Chemica Scandinavica (43,1989-)","1992","46","","224","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541556","12.061","","12.346","","14.908","","90","","99.402","","90","","2190.06","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","(Cu (N H3)3) (Cu (N H3)4) (Cu (N H3)5) (Te4 (W (C N)3)4) (H2 O)5","","- C12 H46 Cu3 N24 O5 Te4 W4 -","- C12 Cu3 N24 O5 Te4 W4 -","- C24 Cu6 N48 O10 Te8 W8 -","2","1","","Fedin, V.P.; Gerasimenko, A.V.; Kalinina, I.V.; Virovets, A.V.","Cyano-bridged cluster-metal coordination compound: synthesis and crystal structure of (Cu (N H3)3) (Cu (N H3)4) (Cu (N H3)5) (W4 Te4 (C N)12) * 5(H2 O)","Inorganica Chimica Acta","2002","331","","48","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","172909","2020-10-21","18:00:00",""
"1541690","8.743","","11.264","","6.102","","90","","110.12","","90","","564.26","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca B3 O4 (O H)3 H2 O","","- B3 Ca H5 O8 -","- B3 Ca H5 O8 -","- B12 Ca4 H20 O32 -","4","2","","Hainsworth, F.N.; Petch, H.E.","The Structural Basis of Ferroelectricity in Colemanite","Canadian Journal of Physics","1966","44","","3083","3107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541701","10.79","","10.36","","7.3","","90","","110","","90","","766.814","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca6.5 Nb1.5 (Si2 O7)2 O4","","- Ca6.5 Nb1.5 O18 Si4 -","- Ca6.5 Nb1.5 O18 Si4 -","- Ca13 Nb3 O36 Si8 -","2","1","","Li, T.-J.; Simonov, V.I.; Belov, N.V.","The crystal structure of niokalite","Doklady Akademii Nauk SSSR","1966","167","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","173134","2020-10-21","18:00:00",""
"1541742","18.6","","5.636","","7.421","","90","","101.42","","90","","762.539","","","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","Na2 Ca (Ca3 Ce) (Ti0.5 Nb0.5) (Si2 O7)2 O1.5 F2.5","","- Ca4 Ce F2.5 Na2 Nb0.5 O15.5 Si4 Ti0.5 -","- Ca4 Ce F2.5 Na2 Nb0.5 O15.5 Si4 Ti0.5 -","- Ca8 Ce2 F5 Na4 Nb O31 Si8 Ti -","2","1","","Simonov, V.I.; Belov, N.V.","Characteristics of the crystal structure of rinkite","Kristallografiya","1967","12","","848","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541777","6.21","","10.9","","12.94","","90","","95","","90","","872.563","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 (Cr2 O7) (H2 O)2","","- Cr2 H4 Na2 O9 -","- Cr2 Na2 O9 -","- Cr8 Na8 O36 -","4","2","","Kharitonov, Yu.A.; Kuz'min, E.A.; Belov, N.V.","Determination of the crystal structure of sodium bichromate Na2 Cr2 O7 (H2 O)2","Kristallografiya","1970","15","","942","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542238","6.154","","5.739","","8.299","","90","","102.89","","90","","285.716","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Sm Zr F7","","- F7 Sm Zr -","- F7 Sm Zr -","- F14 Sm2 Zr2 -","2","1","","Poulain, M.; Lucas, J.","Structure cristalline de Sm Zr F7. Relations structurales avec le type Re O3","Journal of Solid State Chemistry","1973","8","","132","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542268","8.3056","0.0001","28.5217","0.0005","12.1649","0.0002","90","","90.909","0.001","90","","2881.38","0.08","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","2","","Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min","Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.","Organic letters","2016","18","3","444","447","10.1021/acs.orglett.5b03487","","","1.54178","CuKα","","0.037","0.036","","","0.0963","0.0975","","","","","","1.014","","","","has coordinates","177447","2020-10-21","18:00:00",""
"1542269","8.7852","0.0001","14.5469","0.0002","11.599","0.0001","90","","110.9","","90","","1384.79","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O11 -","- C29 H40 O11 -","- C58 H80 O22 -","2","1","","Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min","Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.","Organic letters","2016","18","3","444","447","10.1021/acs.orglett.5b03487","","","1.54178","CuKα","","0.0262","0.0261","","","0.0731","0.0732","","","","","","1.034","","","","has coordinates","177447","2020-10-21","18:00:00",""
"1542287","9.873","0.002","7.792","0.0016","11.34","0.002","90","","91.557","0.006","90","","872.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Shaffer, Corena V.; Cai, Shengxin; Peng, Jiangnan; Robles, Andrew J.; Hartley, Rachel M.; Powell, Douglas R.; Du, Lin; Cichewicz, Robert H.; Mooberry, Susan L.","Texas Native Plants Yield Compounds with Cytotoxic Activities against Prostate Cancer Cells.","Journal of natural products","2016","79","3","531","540","10.1021/acs.jnatprod.5b00908","","","1.54178","CuKα","","0.1323","0.1117","","","0.2602","0.2975","","","","","","1.098","","","","has coordinates","181437","2020-10-21","18:00:00",""
"1542292","9.0877","0.0003","15.0437","0.0004","9.2994","0.0003","90","","111.757","0.004","90","","1180.78","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Garve, Lennart K. B.; Petzold, Martin; Jones, Peter G.; Werz, Daniel B.","[3 + 3]-Cycloaddition of Donor-Acceptor Cyclopropanes with Nitrile Imines Generated in Situ: Access to Tetrahydropyridazines.","Organic letters","2016","18","3","564","567","10.1021/acs.orglett.5b03598","","","0.71073","MoKα","","0.0394","0.037","","","0.0915","0.0933","","","","","","1.053","","","","has coordinates","177441","2020-10-21","18:00:00",""
"1542311","8.3889","0.0004","21.3112","0.001","11.195","0.0006","90","","93.127","0.003","90","","1998.43","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45.5 H52.5 N6 O1.5 Zn -","- C45.5 H48.82 N6 O1.5 Zn -","- C91 H97.64 N12 O3 Zn2 -","2","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.0901","0.0584","","","0.1629","0.1776","","","","","","1.045","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542322","14.208","0.003","20.222","0.004","14.512","0.003","90","","108.954","0.003","90","","3943.4","1.4","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N4 O2 Zn -","- C41.5 H54 N4 O2 Zn -","- C166 H216 N16 O8 Zn4 -","4","2","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0503","0.0435","","","0.0978","0.1005","","","","","","1.074","","","","has coordinates","175138","2020-10-21","18:00:00",""
"1542332","8.4621","0.0004","10.291","0.0006","8.8558","0.0006","90","","105.314","0.006","90","","743.81","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O4 P -","- C16 H17 O4 P -","- C32 H34 O8 P2 -","2","1","","Bigler, Raphael; Mezzetti, Antonio","Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts","Organic Process Research & Development","2016","20","2","253","","10.1021/acs.oprd.5b00391","","x-ray","0.71073","MoKα","","0.0477","0.0413","","","0.0878","0.0927","","","","","","1.03","","","","has coordinates","177428","2020-10-21","18:00:00",""
"1542362","10.4822","0.0004","5.9694","0.0002","17.3911","0.0007","90","","106.202","0.002","90","","1044.98","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H18 Br N O4 -","- C25 H18 Br N O4 -","- C50 H36 Br2 N2 O8 -","2","1","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.0369","0.0276","","","0.0529","0.0606","","","","","","1.031","","","","has coordinates","177439","2020-10-21","18:00:00",""
"1542363","10.763","0.006","20.038","0.011","11.832","0.007","90","","117.008","0.015","90","","2274","2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Br N O4 -","- C26 H20 Br N O4 -","- C104 H80 Br4 N4 O16 -","4","2","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.2085","0.101","","","0.1854","0.2293","","","","","","0.986","","","","has coordinates","177439","2020-10-21","18:00:00",""
"1542386","8.8562","0.0002","9.9924","0.0003","11.4351","0.0003","90","","105.077","0.003","90","","977.11","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0367","0.0355","","","0.0973","0.0991","","","","","","1.079","","","","has coordinates","175746","2020-10-21","18:00:00",""
"1542390","9.4429","0.0012","7.8615","0.001","37.294","0.005","90","","97.23","0.002","90","","2746.5","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O13 -","- C29 H32 O13 -","- C116 H128 O52 -","4","2","","Shi, Yi-Ming; Cai, Song-Liang; Li, Xiao-Nian; Liu, Miao; Shang, Shan-Zhai; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","LC-UV-Guided Isolation and Structure Determination of Lancolide E: A Nortriterpenoid with a Tetracyclo[5.4.0.0(2,4).0(3,7)]undecane-Bridged System from a ""Talented"" Schisandra Plant.","Organic letters","2016","18","1","100","103","10.1021/acs.orglett.5b03334","","","0.71073","MoKα","","0.1427","0.1414","","","0.346","0.3474","","","","","","1.075","","","","has coordinates","175750","2020-10-21","18:00:00",""
"1542393","5.575","0.0004","7.9619","0.0005","23.2886","0.0015","90","","90.492","0.003","90","","1033.69","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br O7 P -","- C20 H22 Br O7 P -","- C40 H44 Br2 O14 P2 -","2","1","","Horwitz, Matthew A.; Zavesky, Blane P.; Martinez-Alvarado, Jesus I; Johnson, Jeffrey S.","Asymmetric Organocatalytic Reductive Coupling Reactions between Benzylidene Pyruvates and Aldehydes.","Organic letters","2016","18","1","36","39","10.1021/acs.orglett.5b03127","","","1.54178","CuKα","","0.0426","0.0405","","","0.0942","0.0951","","","","","","1.13","","","","has coordinates","175753","2020-10-21","18:00:00",""
"1542410","8.0698","0.0009","6.5112","0.0007","35.008","0.004","90","","92.98","0.002","90","","1837","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-(4-nitrobenzoyloxy)biphenyl-2-carboxylate","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C84 H60 N4 O24 -","4","2","","Joshi, Prabhakar Ramchandra; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Oxygenative and Dehydrogenative [3 + 3] Benzannulation Reactions of α,β-Unsaturated Aldehydes and γ-Phosphonyl Crotonates Mediated by Air: Regioselective Synthesis of 4-Hydroxybiaryl-2-carboxylates.","Organic letters","2016","18","4","752","755","10.1021/acs.orglett.6b00016","","","0.71073","MoKα","","0.0747","0.0678","","","0.1396","0.1427","","","","","","1.237","","","","has coordinates","177437","2020-10-21","18:00:00",""
"1542411","10.4012","0.0003","6.5192","0.0002","12.5869","0.0003","90","","94.667","0.002","90","","850.66","0.04","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Jiao, Wei-Hua; Shi, Guo-Hua; Xu, Ting-Ting; Chen, Guo-Dong; Gu, Bin-Bin; Wang, Zhuo; Peng, Shuang; Wang, Shu-Ping; Li, Jia; Han, Bing-Nan; Zhang, Wei; Lin, Hou-Wen","Dysiherbols A-C and Dysideanone E, Cytotoxic and NF-κB Inhibitory Tetracyclic Meroterpenes from a Dysidea sp. Marine Sponge.","Journal of natural products","2016","79","2","406","411","10.1021/acs.jnatprod.5b01079","","","1.54178","CuKα","","0.0467","0.0441","","","0.1295","0.1378","","","","","","1.085","","","","has coordinates","177413","2020-10-21","18:00:00",""
"1542422","11.854","0.006","6.07","0.003","12.641","0.006","90","","104.097","0.006","90","","882.2","0.8","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N3 Ni O3 -","- C18 H25 N3 Ni O3 -","- C36 H50 N6 Ni2 O6 -","2","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0463","0.0345","","","0.0631","0.0662","","","","","","0.977","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542433","8.8757","0.0006","20.3411","0.0011","10.7976","0.0007","90","","101.728","0.007","90","","1908.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","[9-BBN(I-DCDM)2][HBCF]","","- C36 H27 B2 Cl4 F15 N4 -","- C36 H27 B2 Cl4 F15 N4 -","- C72 H54 B4 Cl8 F30 N8 -","2","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0725","0.0528","","0.0879","0.0785","0.0879","","","","","","0.9775","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1542446","9.7486","0.0002","14.4556","0.0003","10.3782","0.0002","90","","102.099","0.001","90","","1430.03","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N O7 -","- C31 H43 N O7 -","- C62 H86 N2 O14 -","2","1","","Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin","Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.","Organic letters","2016","18","5","1108","","10.1021/acs.orglett.6b00214","","","1.54178","CuKα","","0.0888","0.0555","","","0.1459","0.1718","","","","","","1.176","","","","has coordinates","177460","2020-10-21","18:00:00",""
"1542491","7.4235","0.0004","9.6339","0.0004","7.5209","0.0003","90","","99.728","0.002","90","","530.14","0.04","92","2","92","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-1-ferrocenylethanone","","- C12 H11 Cl Fe O -","- C12 H11 Cl Fe O -","- C24 H22 Cl2 Fe2 O2 -","2","1","WM4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanone","IUCrData","2016","1","1","x152177","","10.1107/S241431461502177X","","","0.71073","MoKα","","0.021","0.0206","","","0.0524","0.0527","","","","","","1.061","","","","has coordinates,has Fobs","177540","2020-10-21","18:00:00",""
"1542514","6.588","0.002","16.582","0.005","19.448","0.007","90","","95.051","0.007","90","","2116.3","1.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3,5-Di-tert-butyl-2-hydroxybenzyl)[(R)-1-phenylethyl]amine","2,4-Di-tert-butyl-6-({[(R)-1-phenylethyl]amino}methyl)phenol","","- C23 H33 N O -","- C23 H33 N O -","- C92 H132 N4 O4 -","4","2","HB4018","Zhang, Fangqin; Zhang, Yongbin; Liu, Diansheng","2,4-Di-tert-butyl-6-({[(R)-1-phenylethyl]amino}methyl)phenol","IUCrData","2016","1","2","x160205","","10.1107/S2414314616002054","","","0.71073","MoKα","","0.1689","0.0844","","","0.1694","0.2116","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","177492","2020-10-21","18:00:00",""
"1542521","8.8945","0.0002","21.16","0.0005","9.0481","0.0002","90","","91.63","0.0019","90","","1702.23","0.07","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","2","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.0451","0.0368","","","0.0783","0.0847","","","","","","1.074","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542522","7.503","0.003","10.304","0.005","10.253","0.005","90","","92.82","0.04","90","","791.7","0.6","293.02","0.1","293.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.2768","0.104","","","0.2241","0.3441","","","","","","0.959","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542539","11.1671","0.0002","7.62443","0.00014","14.6056","0.0003","90","","94.1026","0.0019","90","","1240.37","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C52 H54 N2 O14 S2 -","2","1","","Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] cycloaddition of donor‒acceptor aziridines with aldehydes via carbon‒carbon bond cleavage","Chem. Sci.","2016","7","6","3775","","10.1039/C5SC04151A","","x-ray","1.54184","CuKα","","0.0534","0.0526","","","0.1353","0.1366","","","","","","1.071","","","","has coordinates","185138","2020-10-21","18:00:00",""
"1542564","9.4965","0.0002","11.4906","0.0003","9.9133","0.0003","90","","95.247","0.001","90","","1077.21","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30.01 N2 O4 -","- C23.004 H30.011 N2 O4 -","- C46.008 H60.022 N4 O8 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0441","0.0424","","","0.1192","0.1216","","","","","","1.069","","","","has coordinates,has disorder","183579","2020-10-21","18:00:00",""
"1542565","9.6195","0.0002","11.6392","0.0002","9.6441","0.0001","90","","94.229","0.001","90","","1076.85","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C46 H60 N4 O8 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0451","0.0418","","","0.1131","0.1161","","","","","","1.047","","","","has coordinates","183579","2020-10-21","18:00:00",""
"1542582","11.0798","0.00008","21.9977","0.00013","11.88015","0.00009","90","","102.003","0.0007","90","","2832.25","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-({2-[1-(benzyl)pyrrolidine-2-carboxamide]-phenyl}phenylmethylene)-(S)-pentenylglycinato-N,N',N?,O}nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","2","","Miles, Jennifer A.; Yeo, David J.; Rowell, Philip; Rodriguez-Marin, Silvia; Pask, Christopher M.; Warriner, Stuart L.; Edwards, Thomas A.; Wilson, Andrew J.","Hydrocarbon constrained peptides ‒ understanding preorganisation and binding affinity","Chem. Sci.","2016","7","6","3694","","10.1039/C5SC04048E","","","1.54184","CuKα","","0.0285","0.0274","","","0.0688","0.0696","","","","","","1.037","","","","has coordinates,has disorder","185140","2020-10-21","18:00:00",""
"1542590","13.2144","0.0012","5.6194","0.0005","14.8801","0.0013","90","","111.914","0.002","90","","1025.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl O -","- C26 H21 Cl O -","- C52 H42 Cl2 O2 -","2","1","","Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.","Organic letters","2016","18","6","1298","1301","10.1021/acs.orglett.6b00238","","","0.71073","MoKα","","0.1724","0.0676","","","0.0701","0.1065","","","","","","0.973","","","","has coordinates","181459","2020-10-21","18:00:00",""
"1542596","7.2371","0.0007","9.8802","0.001","15.9674","0.0016","90","","97.002","0.002","90","","1133.2","0.2","199","2","199","2","","","","","","","","6","P 1 21 1","P 2yb","4","19a","","","- C18 H27 Cl N2 O12 S -","- C18 H27 Cl N2 O12 S -","- C36 H54 Cl2 N4 O24 S2 -","2","1","","Liang, Yong; Suzol, Sazzad H.; Wen, Zhiwei; Artiles, Alain G.; Mathivathanan, Logesh; Raptis, Raphael G.; Wnuk, Stanislaw F.","Uracil Nucleosides with Reactive Group at C5 Position: 5-(1-Halo-2-sulfonylvinyl)uridine Analogues.","Organic letters","2016","18","6","1418","1421","10.1021/acs.orglett.6b00346","","","0.71073","MoKα","","0.0764","0.0597","","","0.1166","0.1251","","","","","","1.156","","","","has coordinates","181456","2020-10-21","18:00:00",""
"1542618","7.5013","0.0001","11.6919","0.0002","14.619","0.0002","90","","103.882","0.001","90","","1244.7","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C54 H64 O16 -","2","1","","Wang, Guo-Cai; Yu, Jin-Hai; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Limonoids and Triterpenoids as 11β-HSD1 Inhibitors from Walsura robusta.","Journal of natural products","2016","79","4","899","906","10.1021/acs.jnatprod.5b00952","","","1.54178","CuKα","","0.0424","0.0423","","","0.1051","0.1053","","","","","","1.062","","","","has coordinates","183583","2020-10-21","18:00:00",""
"1542619","7.4553","0.0002","12.0869","0.0004","28.1295","0.0007","90","","90.18","0.002","90","","2534.78","0.13","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C108 H136 O32 -","4","2","","Wang, Guo-Cai; Yu, Jin-Hai; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Limonoids and Triterpenoids as 11β-HSD1 Inhibitors from Walsura robusta.","Journal of natural products","2016","79","4","899","906","10.1021/acs.jnatprod.5b00952","","","1.54178","CuKα","","0.0477","0.0432","","","0.1106","0.1147","","","","","","1.025","","","","has coordinates","183583","2020-10-21","18:00:00",""
"1542632","10.8044","0.0014","6.7767","0.0008","12.3031","0.0014","90","","113.354","0.015","90","","827","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C38 H30 Br2 O8 -","2","1","","Sun, Xue-Li; Chen, Ying-Han; Zhu, Dan-Yang; Zhang, Yan; Liu, Yan-Kai","Substrate-Controlled, One-Pot Synthesis: Access to Chiral Chroman-2-one and Polycyclic Derivatives.","Organic letters","2016","18","4","864","867","10.1021/acs.orglett.6b00160","","","1.54184","CuKα","","0.0783","0.0577","","","0.1378","0.1759","","","","","","1.098","","","","has coordinates","177288","2020-10-21","18:00:00",""
"1542633","7.1955","0.0001","19.2595","0.0003","7.6395","0.0001","90","","101.353","0.002","90","","1037.98","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C46 H56 O10 -","2","1","","Wang, Peng; Li, Rui-Jun; Liu, Rui-Huan; Jian, Kai-Li; Yang, Ming-Hua; Yang, Lei; Kong, Ling-Yi; Luo, Jun","Sarglaperoxides A and B, Sesquiterpene-Normonoterpene Conjugates with a Peroxide Bridge from the Seeds of Sarcandra glabra.","Organic letters","2016","18","4","832","835","10.1021/acs.orglett.6b00112","","","1.54184","CuKα","","0.0361","0.0358","","","0.1017","0.1023","","","","","","1.039","","","","has coordinates","177289","2020-10-21","18:00:00",""
"1542670","16.9083","0.0003","5.97938","0.00011","23.1232","0.0004","90","","103.885","0.001","90","","2269.47","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 S -","- C24 H32 N2 O3 S -","- C96 H128 N8 O12 S4 -","4","2","","Yoshizaki, Soichi; Nakamura, Yu; Masutomi, Koji; Yoshida, Tomoka; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of 1,6-Enynes with Cyclopropylideneacetamides.","Organic letters","2016","18","3","388","391","10.1021/acs.orglett.5b03387","","","1.54187","CuKα","","0.0712","0.0463","","","0.1158","0.1451","","","","","","1.124","","","","has coordinates","177320","2020-10-21","18:00:00",""
"1542691","5.8834","0.0013","11.064","0.002","11.101","0.002","90","","102.611","0.006","90","","705.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 F N2 O2 S -","- C14 H17 F N2 O2 S -","- C28 H34 F2 N4 O4 S2 -","2","1","","Hajra, Saumen; Aziz, Sk Mohammad; Jana, Bibekananda; Mahish, Prosenjit; Das, Dhiraj","Synthesis of Chiral Spiro-Aziridine Oxindoles via Aza-Corey-Chaykovsky Reaction of Isatin Derived N-tert-Butanesulfinyl Ketimines.","Organic letters","2016","18","3","532","535","10.1021/acs.orglett.5b03564","","","0.71073","MoKα","","0.0459","0.0379","","","0.0893","0.0967","","","","","","1.092","","","","has coordinates","177340","2020-10-21","18:00:00",""
"1542701","10.2811","0.0014","11.149","0.0016","11.3115","0.0017","90","","115.56","0.002","90","","1169.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O3 -","- C26 H20 Cl F3 N2 O3 -","- C52 H40 Cl2 F6 N4 O6 -","2","1","","Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui","Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a ""Building Block"".","Organic letters","2016","18","5","956","","10.1021/acs.orglett.5b03566","","","0.71073","MoKα","","0.0307","0.0294","","","0.0678","0.0688","","","","","","1.005","","","","has coordinates","177351","2020-10-21","18:00:00",""
"1542705","9.2196","0.0018","6.1859","0.0012","14.23","0.003","90","","94.59","0.03","90","","809","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin","C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds.","Organic letters","2016","18","5","1178","","10.1021/acs.orglett.6b00310","","","1.54178","CuKα","","0.0305","0.0304","","","0.0837","0.0838","","","","","","1.071","","","","has coordinates","177354","2020-10-21","18:00:00",""
"1542719","5.804","0.002","22.592","0.007","6.639","0.002","90","","115.905","0.004","90","","783.1","0.4","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0301","0.0296","","","0.0755","0.0757","","","","","","1.049","","","","has coordinates","177369","2020-10-21","18:00:00",""
"1542723","5.9781","0.0018","19.198","0.006","7.657","0.002","90","","108.46","0.003","90","","833.6","0.4","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O3 S -","- C16 H18 Br N O3 S -","- C32 H36 Br2 N2 O6 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.029","0.0277","","","0.0671","0.0678","","","","","","1.111","","","","has coordinates","177373","2020-10-21","18:00:00",""
"1542725","7.819","0.002","11.246","0.003","9.64","0.002","90","","94.539","0.004","90","","845","0.4","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C34 H32 Br2 N2 O8 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0316","0.0301","","","0.062","0.0629","","","","","","1.107","","","","has coordinates","177376","2020-10-21","18:00:00",""
"1542742","11.0077","0.0006","9.7685","0.0006","14.9709","0.0007","90","","103.216","0.003","90","","1567.17","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H40 O7 S -","- C33 H40 O7 S -","- C66 H80 O14 S2 -","2","1","","Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.","A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors","Chem. Sci.","2016","7","7","4259","","10.1039/C6SC00633G","","","0.71073","MoKα","","0.1106","0.0497","","","0.1087","0.136","","","","","","0.895","","","","has coordinates","185107","2020-10-21","18:00:00",""
"1542761","15.775","0.005","7.137","0.003","16.382","0.005","90","","107.97","0.03","90","","1754.4","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 Br2 Cl O3 -","- C15 H19 Br2 Cl O3 -","- C60 H76 Br8 Cl4 O12 -","4","2","","Gutiérrez-Cepeda, Adrián; Fernández, José J; Norte, Manuel; López-Rodríguez, Matías; Brito, Iván; Muller, Christian D.; Souto, María L","Additional Insights into the Obtusallene Family: Components of Laurencia marilzae.","Journal of natural products","2016","79","4","1184","1188","10.1021/acs.jnatprod.5b01080","","","1.5418","CuKα","","0.0846","0.0647","","","0.1704","0.2058","","","","","","0.995","","","","has coordinates","183581","2020-10-21","18:00:00",""
"1542826","28.172","0.005","4.935","0.001","10.375","0.002","90","","90.3","0.01","90","","1442.4","0.5","120","","120","","","","","","","","Synthesized by Lee Brooks, Keele University","2","P 1 21 1","P 2yb","4","","(S)-7-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.82","Synchrotron","","0.0853","0.0852","","0.0804","0.0804","0.0804","","","","","","0.9344","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1542827","18.43381","0.00043","7.175975","0.000086","11.02071","0.00026","90","","101.974","0.0028","90","","1426.1","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-13-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542828","16.00237","0.00029","7.154313","0.000081","12.40169","0.00026","90","","109.825","0.0015","90","","1335.67","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-11-methylheptacosane","","- C28 H58 -","- C28 H58 -","- C56 H116 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.79975","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542829","16.0129","0.00024","7.14458","0.000071","14.09635","0.00026","90","","118.06","0.00096","90","","1423.14","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-11-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80025","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542830","21.44393","0.00075","4.937406","0.000076","12.34557","0.0004","90","","105.625","0.0015","90","","1258.81","0.06","80","","80","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-9-methylpentacosane","","- C26 H54 -","- C26 H54 -","- C52 H108 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80025","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542831","23.4884","0.0013","4.93921","0.0001","12.33521","0.00059","90","","109.295","0.0024","90","","1350.68","0.1","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-9-methylheptacosane","","- C28 H58 -","- C28 H58 -","- C56 H116 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542832","25.6203","0.0018","4.93638","0.00018","12.32668","0.00091","90","","112.448","0.004","90","","1440.84","0.16","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-9-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542833","27.78145","0.00044","4.933812","0.00004","12.38987","0.00021","90","","115.68","0.00077","90","","1530.52","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-9-methylhentriacontane","","- C32 H66 -","- C32 H66 -","- C64 H132 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","269087","2021-09-10","11:46:11",""
"1542834","28.09291","0.00037","4.932501","0.000029","10.36893","0.00012","90","","90.4059","0.00059","90","","1436.77","0.03","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(S)-7-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) via single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542841","11.89","0.0008","4.9621","0.0003","21.4281","0.0014","90","","90.663","0.006","90","","1264.16","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACM-INA","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C54 H48 Cl2 N6 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","","","0.71073","MoKα","","0.1248","0.0679","","","0.0795","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","213153","2020-10-21","18:00:00",""
"1542842","16.959","0.006","4.7993","0.0015","17.285","0.005","90","","113.55","0.04","90","","1289.7","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 Cl N2 O8 -","- C28 H24 Cl N2 O8 -","- C56 H48 Cl2 N4 O16 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","","","0.71073","MoKα","","0.1999","0.0882","","","0.0964","0.1435","","","","","","0.998","","","","has coordinates,has Fobs","213154","2020-10-21","18:00:00",""
"1542843","21.7202","0.0015","5.0077","0.0014","11.8457","0.0017","90","","93.954","0.013","90","","1285.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C54 H48 Cl2 N6 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0607","2.0013","","","","","","","has coordinates,has Fobs","213155","2020-10-21","18:00:00",""
"1542847","7.0572","0.0006","15.4665","0.0013","13.2112","0.0011","90","","98.98","0.007","90","","1424.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","2","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0276","0.0256","","","0.055","0.0558","","","","","","1.057","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542946","10.7495","0.0003","10.9897","0.0003","11.3193","0.0003","90","","106.928","0.001","90","","1279.25","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C58 H84 O8 -","2","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0313","0.0313","","","0.0803","0.0804","","","","","","1.05","","","","has coordinates","182531","2020-10-21","18:00:00",""
"1542947","11.0867","0.0004","10.5463","0.0004","11.7485","0.0004","90","","109.197","0.001","90","","1297.29","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C58 H84 O8 -","2","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.071","0.0709","","","0.19","0.1902","","","","","","1.116","","","","has coordinates","182531","2020-10-21","18:00:00",""
"1542949","13.38314","0.00017","6.24052","0.00006","16.58575","0.00016","90","","105.584","0.0012","90","","1334.28","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hilario-Martínez, J Ciciolil; Zeferino-Díaz, Reyna; Muñoz-Hernández, Miguel A; Hernández-Linares, Ma Guadalupe; Cabellos, José Luis; Merino, Gabriel; Sandoval-Ramírez, Jesús; Jin, Zhendong; Fernández-Herrera, María A","Regioselective Spirostan E-Ring Opening for the Synthesis of Dihydropyran Steroidal Frameworks.","Organic letters","2016","18","8","1772","1775","10.1021/acs.orglett.6b00492","","x-ray","1.54184","CuKα","","0.0524","0.0517","","","0.1446","0.1455","","","","","","1.04","","","","has coordinates","182533","2020-10-21","18:00:00",""
"1542958","10.6807","0.001","8.6932","0.0008","12.7653","0.0012","90","","101.848","0.002","90","","1160","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0475","0.0399","","","0.1007","0.1064","","","","","","1.046","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542979","11.5579","0.0005","9.9279","0.0004","12.5271","0.0005","90","","95.03","0.002","90","","1431.89","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Menthone-4-methylthiosemicarbazone","2-[(E)-(2S,5R)-2-Isopropyl-5-methylcyclohexylidene]-N-methylhydrazine-1-carbothioamide","","- C12 H23 N3 S -","- C12 H23 N3 S -","- C48 H92 N12 S4 -","4","2","BX4002","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira","2-[(E)-(2S,5R)-2-Isopropyl-5-methylcyclohexylidene]-N-methylhydrazine-1-carbothioamide","IUCrData","2016","1","3","x160459","","10.1107/S2414314616004594","","","0.71073","MoKα","","0.0649","0.0444","","","0.096","0.104","","","","","","1.061","","","","has coordinates,has Fobs","180631","2020-10-21","18:00:00",""
"1542985","13.85","0.003","15.604","0.003","14.083","0.003","90","","90.44","0.03","90","","3043.5","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H68 Ca2 N16 O24 S4 -","- C40 H68 Ca2 N16 O24 S4 -","- C80 H136 Ca4 N32 O48 S8 -","2","1","","Sun, Jia; Xie, Chuang; Zhang, Xia; Bao, Ying; Hou, Baohong; Wang, Zhao; Gong, Junbo; Hao, Hongxun; Wang, Yongli; Wang, Jingkang; Yin, Qiuxiang","Preparation and Dehydration Kinetics of Complex Sulfadiazine Calcium Hydrate with Both Channel-Type and Coordinated Water","Organic Process Research & Development","2016","20","4","780","","10.1021/acs.oprd.6b00027","","","0.71073","MoKα","","0.0729","0.0498","","","0.1008","0.1104","","","","","","1.036","","","","has coordinates","182509","2020-10-21","18:00:00",""
"1543009","10.1594","0.0006","11.9897","0.0005","12.8474","0.0008","90","","107.684","0.007","90","","1490.97","0.15","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","2","","Zhao, Feng; Li, Nan; Zhu, Yi-Fan; Han, Zhi-Yong","Enantioselective Construction of Functionalized Tetrahydrocarbazoles Enabled by Asymmetric Relay Catalysis of Gold Complex and Chiral Brønsted Acid.","Organic letters","2016","18","7","1506","1509","10.1021/acs.orglett.6b00012","","","0.71073","MoKα","","0.0992","0.0556","","","0.1243","0.1778","","","","","","1.087","","","","has coordinates","181400","2020-10-21","18:00:00",""
"1543034","9.6625","0.0002","21.1407","0.0006","13.3829","0.0003","90","","95.786","0.002","90","","2719.82","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H49 N O2 Si -","- C24 H49 N O2 Si -","- C96 H196 N4 O8 Si4 -","4","2","","Guignard, Guillaume; Llor, Núria; Molins, Elies; Bosch, Joan; Amat, Mercedes","Enantioselective Total Synthesis of Fluvirucinin B1.","Organic letters","2016","18","8","1788","1791","10.1021/acs.orglett.6b00513","","x-ray","1.54184","CuKα","","0.0878","0.0666","","","0.1759","0.1855","","","","","","1.153","","","","has coordinates,has disorder","182526","2020-10-21","18:00:00",""
"1543035","7.2253","0.0001","13.6771","0.0003","12.9015","0.0002","90","","103.485","0.001","90","","1239.79","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N3 O2 -","- C30 H35 N3 O2 -","- C60 H70 N6 O4 -","2","1","","Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang","Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.","Organic letters","2016","18","8","1816","1819","10.1021/acs.orglett.6b00549","","","1.54178","CuKα","","0.0367","0.0359","","","0.0957","0.0965","","","","","","1.033","","","","has coordinates","182528","2020-10-21","18:00:00",""
"1543036","7.9708","0.0004","10.4075","0.0006","11.9312","0.0007","90","","95.083","0.002","90","","985.87","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N O2.5 -","- C10 H14 N O2.5 -","- C40 H56 N4 O10 -","4","2","","Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang","Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.","Organic letters","2016","18","8","1816","1819","10.1021/acs.orglett.6b00549","","","1.54178","CuKα","","0.0348","0.0346","","","0.0842","0.0847","","","","","","1.093","","","","has coordinates","182528","2020-10-21","18:00:00",""
"1543065","9.4796","0.0015","7.155","0.0012","13.651","0.002","90","","90.968","0.004","90","","925.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R)-8-Bromo-1-[(E)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-b]furan","","- C20 H13 Br2 N O3 -","- C20 H13 Br2 N O3 -","- C40 H26 Br4 N2 O6 -","2","1","PK4003","Fang, Xiaoqin; Wang, Yifeng","(1R,2R)-8-Bromo-1-[(E)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-b]furan","IUCrData","2016","1","4","x160515","","10.1107/S2414314616005150","","","0.71073","MoKα","","0.0518","0.0411","","","0.0885","0.0934","","","","","","0.972","","","","has coordinates,has Fobs","182000","2020-10-21","18:00:00",""
"1543084","9.8263","0.0004","7.4617","0.0002","11.9888","0.0004","90","","91.956","0.001","90","","878.52","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","","- C20 H20 Fe O4 -","- C20 H20 Fe O4 -","- C40 H40 Fe2 O8 -","2","1","WM4012","Naier, Benjamin; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","IUCrData","2016","1","4","x160569","","10.1107/S2414314616005691","","","0.71073","MoKα","","0.0235","0.0212","","","0.0511","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","182045","2020-10-21","18:00:00",""
"1543109","9.0098","0.0006","7.1744","0.0005","14.3213","0.001","90","","92.2","0.005","90","","925.05","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Apocidine A","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C42 H48 N4 O8 -","2","1","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","0.71073","MoKα","","0.0717","0.0495","","","0.0951","0.113","","","","","","1.054","","","","has coordinates","183588","2020-10-21","18:00:00",""
"1543112","8.8859","0.0002","26.1897","0.0005","13.3329","0.0002","90","","91.416","0.001","90","","3101.87","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H36 Cl N O10 -","- C31 H36 Cl N O10 -","- C124 H144 Cl4 N4 O40 -","4","2","","Kashima, Kenichi; Teraoka, Kota; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Atroposelective [2 + 2 + 2] Cycloaddition of Ortho-Substituted Phenyl Diynes with Nitriles: Effect of Ortho Substituents on Regio- and Enantioselectivity.","Organic letters","2016","18","9","2170","2173","10.1021/acs.orglett.6b00791","","","1.54186","CuKα","","0.0453","0.0417","","","0.1064","0.1124","","","","","","1.067","","","","has coordinates,has disorder","184996","2020-10-21","18:00:00",""
"1543113","15.708","0.002","17.744","0.003","16.623","0.003","90","","99.335","0.002","90","","4571.8","1.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H44 O10 -","- C50 H44 O10 -","- C200 H176 O40 -","4","2","","Du, Wen-Ke; Hung, Hsin-Yi; Kuo, Ping-Chung; Hwang, Tsong-Long; Shiu, Ler-Chun; Shiu, Kom-Bei; Lee, E-Jian; Tai, Shih-Huang; Wu, Tian-Shung","Dragonbloodin A1 and A2: Flavan Trimers and Anti-inflammatory Principles from Sanguis Draconis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b00593","","","0.71073","MoKα","","0.1044","0.0696","","","0.1677","0.1821","","","","","","1.086","","","","has coordinates","182122","2020-10-21","18:00:00",""
"1543117","11.7774","0.0006","14.2384","0.0007","16.4779","0.0008","90","","93.145","0.002","90","","2759","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 Br2 N O6 S -","- C23 H33 Br2 N O6 S -","- C92 H132 Br8 N4 O24 S4 -","4","2","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0792","0.0424","","","0.1041","0.1267","","","","","","1.037","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543147","6.1031","0.0002","8.4657","0.0003","18.0015","0.0006","90","","94.016","0.001","90","","927.8","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui","(±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.","Journal of natural products","2016","79","5","1322","1328","10.1021/acs.jnatprod.5b01119","","","1.54178","CuKα","","0.0318","0.0317","","","0.081","0.0811","","","","","","1.054","","","","has coordinates","183585","2020-10-21","18:00:00",""
"1543150","12.6572","0.0004","6.67349","0.00019","15.317","0.0005","90","","97.611","0.003","90","","1282.39","0.07","103.3","","103.3","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O10.79 -","- C24 H28 O10.79 -","- C48 H56 O21.58 -","2","1","","Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.","Journal of natural products","2016","79","5","1415","1422","10.1021/acs.jnatprod.6b00160","","","1.5418","CuKα","","0.0635","0.0619","","","0.1767","0.179","","","","","","1.064","","","","has coordinates,has disorder","183587","2020-10-21","18:00:00",""
"1543153","5.9375","0.0005","12.3627","0.0014","12.7571","0.0011","90","","99.297","0.008","90","","924.12","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Cl N O3 -","- C20 H18 Cl N O3 -","- C40 H36 Cl2 N2 O6 -","2","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.0974","0.0601","","","0.1346","0.1741","","","","","","1.003","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543154","5.9479","0.0005","12.3464","0.0013","12.9363","0.0012","90","","99.635","0.008","90","","936.58","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O3 -","- C20 H18 Br N O3 -","- C40 H36 Br2 N2 O6 -","2","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.1018","0.0619","","","0.1616","0.196","","","","","","0.981","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543158","8.514","0.0003","22.5","0.0007","11.0395","0.0004","90","","107.154","0.001","90","","2020.71","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl 2-(5-amino-4-cyano-3-(4-(dimethylamino)phenyl)thiophen-2-yl)malonate","","- C20 H23 N3 O4 S -","- C20 H23 N3 O4 S -","- C80 H92 N12 O16 S4 -","4","2","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0791","0.0812","","","","","","1.043","","","","has coordinates","184991","2020-10-21","18:00:00",""
"1543163","6.8436","0.0005","10.3886","0.0006","9.9058","0.0006","90","","104.893","0.007","90","","680.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H10 F N O3 S -","- C16 H10 F N O3 S -","- C32 H20 F2 N2 O6 S2 -","2","1","","Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong","UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.","Organic letters","2016","18","9","2280","2283","10.1021/acs.orglett.6b00878","","x-ray","0.71073","MoKα","","0.0671","0.05","","","0.1079","0.1216","","","","","","1.066","","","","has coordinates","184995","2020-10-21","18:00:00",""
"1543167","9.5461","0.0005","11.8724","0.0006","15.9962","0.0008","90","","90.104","0.002","90","","1812.93","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(E)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","SJ4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","N'-[(E)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination","IUCrData","2016","1","4","x160662","","10.1107/S2414314616006623","","","1.54178","CuKα","","0.0506","0.0423","","","0.1027","0.1085","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","182307","2020-10-21","18:00:00",""
"1543189","10.298","","9.153","","10.795","","90","","104.69","","90","","984.25","","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","m-P4A","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0475","0.0448","","","0.12","0.1232","","","","","","1.061","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543191","9.9253","0.0007","9.3614","0.0005","22.1685","0.0016","90","","99.015","0.007","90","","2034.3","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","p-P4A","","- C27 H20 O -","- C27 H20 O -","- C108 H80 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.1964","0.1163","","","0.2996","0.3571","","","","","","1.082","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543196","7.7686","0.0008","6.4525","0.0006","13.9164","0.0013","90","","91.238","0.001","90","","697.42","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl N4 O3 -","- C13 H13 Cl N4 O3 -","- C26 H26 Cl2 N8 O6 -","2","1","","McCallum, T.; Barriault, L.","Direct alkylation of heteroarenes with unactivated bromoalkanes using photoredox gold catalysis","Chem. Sci.","2016","","","","","10.1039/C6SC00807K","","","0.71073","MoKα","","0.0293","0.0278","","","0.0711","0.0727","","","","","","1.034","","","","has coordinates","182327","2020-10-21","18:00:00",""
"1543220","9.991","0.003","14.1075","0.0015","15.656","0.004","90","","102","0.02","90","","2158.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3055","0.0853","","","0.1336","0.1815","","","","","","0.999","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543221","9.971","0.003","14.1307","0.0015","15.65","0.004","90","","101.71","0.02","90","","2159.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3217","0.0918","","","0.1083","0.1552","","","","","","0.967","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543222","9.6028","0.0009","14.6523","0.0009","15.5726","0.0016","90","","97.34","0.008","90","","2173.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.208","0.067","","","0.1314","0.184","","","","","","0.966","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543223","9.5964","0.0009","14.6438","0.0008","15.5585","0.0015","90","","97.429","0.008","90","","2168","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.2336","0.0708","","","0.127","0.1844","","","","","","0.978","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543224","8.2745","0.0008","6.0367","0.0006","14.8609","0.0014","90","","104.746","0.005","90","","717.86","0.12","120","2","120.06","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-1H-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","2","SJ4026","Juma, Rashid M.; Golen, James A.; Manke, David R.","4-Chloro-1H-indole-2,3-dione","IUCrData","2016","1","4","x160689","","10.1107/S2414314616006891","","","1.54178","CuKα","","0.0423","0.0379","","","0.0923","0.0959","","","","","","1.037","","","","has coordinates,has Fobs","182423","2020-10-21","18:00:00",""
"1543233","5.6231","0.0006","4.993","0.0006","12.5145","0.0014","90","","91.916","0.007","90","","351.16","0.07","120","2","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Chloro-1H-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C16 H8 Cl2 N2 O4 -","2","1","SU4040","Golen, James A.; Manke, David R.","6-Chloro-1H-indole-2,3-dione","IUCrData","2016","1","4","x160690","","10.1107/S2414314616006908","","","1.54178","CuKα","","0.0342","0.0305","","","0.0681","0.0701","","","","","","1.124","","","","has coordinates,has Fobs","182432","2020-10-21","18:00:00",""
"1543253","8.9612","0.0003","5.0796","0.0002","12.5535","0.0004","90","","102.438","0.001","90","","558.02","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Benzimidazolium L-aspartate","1H-benzo[d]imidazol-3-ium 2-azaniumylsuccinate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","1","SU4038","Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.","Benzimidazolium L-aspartate","IUCrData","2016","1","5","x160677","","10.1107/S2414314616006775","","","0.71073","MoKα","","0.0299","0.0278","","","0.0709","0.0729","","","","","","1.037","","","","has coordinates,has Fobs","182570","2020-10-21","18:00:00",""
"1543259","5.9126","0.0003","22.9872","0.0019","12.2565","0.0008","90","","90.513","0.001","90","","1665.76","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Li, Xiao-Dong; Li, Xiao-Ming; Li, Xin; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Aspewentins D-H, 20-Nor-isopimarane Derivatives from the Deep Sea Sediment-Derived Fungus Aspergillus wentii SD-310.","Journal of natural products","2016","79","5","1347","1353","10.1021/acs.jnatprod.5b01153","","","1.54178","CuKα","","0.1221","0.0838","","","0.2491","0.2967","","","","","","1.1","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543290","13.9735","0.0017","18.272","0.0011","22.168","0.003","90","","94.534","0.012","90","","5642.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H170 K2 O24 S3 Si6 U2 -","- C79 H170 K2 O24 S3 Si6 U2 -","- C158 H340 K4 O48 S6 Si12 U4 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0642","0.0463","","","0.1053","0.1327","","","","","","1.156","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543308","12.8125","0.0002","15.5638","0.0003","16.7344","0.0003","90","","110.994","0.008","90","","3115.51","0.19","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H58 Cu F6 N2 O P3 -","- C61 H58 Cu F6 N2 O P3 -","- C122 H116 Cu2 F12 N4 O2 P6 -","2","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0721","0.0621","","","0.1567","0.1649","","","","","","1.069","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543334","13.2027","0.0005","11.5719","0.0005","18.2672","0.0008","90","","96.299","0.002","90","","2774","0.2","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C64 H66 O12 -","- C64 H66 O12 -","- C128 H132 O24 -","2","1","","Morcillo, Sara P.; Miguel, Delia; Álvarez de Cienfuegos, Luis; Justicia, José; Abbate, Sergio; Castiglioni, Ettore; Bour, Christophe; Ribagorda, María; Cárdenas, Diego J.; Paredes, José Manuel; Crovetto, Luis; Choquesillo-Lazarte, Duane; Mota, Antonio J.; Carreño, M. Carmen; Longhi, Giovanna; Cuerva, Juan M.","Stapled helical o-OPE foldamers as new circularly polarized luminescence emitters based on carbophilic interactions with Ag(i)-sensitivity","Chem. Sci.","2016","7","9","5663","","10.1039/C6SC01808D","","","1.54178","CuKα","","0.0412","0.0358","","","0.0873","0.0915","","","","","","1.055","","","","has coordinates","186339","2020-10-21","18:00:00",""
"1543338","5.4774","0.0011","14.656","0.003","11.788","0.002","90","","103.09","0.03","90","","921.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C46 H34 Br2 O6 -","2","1","","Zhou, Yong; Zhu, Fu-Lin; Liu, Zhen-Ting; Zhou, Xiao-Mao; Hu, Xiang-Ping","Chiral Ferrocenyl P,N-Ligands for Palladium-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Esters with β-Ketoesters: Access to Functionalized Chiral 2,3-Dihydrofurans.","Organic letters","2016","18","11","2734","2737","10.1021/acs.orglett.6b01192","","","0.71073","MoKα","","0.0355","0.0336","","","0.0781","0.0793","","","","","","1.087","","","","has coordinates","184978","2020-10-21","18:00:00",""
"1543359","9.3889","0.0011","11.6277","0.0014","16.0269","0.0018","90","","96.069","0.004","90","","1739.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","2","","Fernández-Pérez, Héctor; Lao, Joan R.; Vidal-Ferran, Anton","Stereoselective Rh-Catalyzed Hydrogenative Desymmetrization of Achiral Substituted 1,4-Dienes.","Organic letters","2016","18","12","2836","2839","10.1021/acs.orglett.6b01088","","","0.71073","MoKα","","0.1277","0.0903","","","0.2405","0.2703","","","","","","1.035","","","","has coordinates","184962","2020-10-21","18:00:00",""
"1543361","8.246","0.0003","6.3133","0.0003","11.1291","0.0004","90","","97.945","0.004","90","","573.81","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.0372","0.0364","","","0.1026","0.1034","","","","","","1.099","","","","has coordinates","184966","2020-10-21","18:00:00",""
"1543376","9.4876","0.0004","8.0486","0.0003","16.3501","0.0007","90","","104.642","0.002","90","","1207.98","0.09","115","2","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 O P2 -","- C31 H26 O P2 -","- C62 H52 O2 P4 -","2","1","","Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain","Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01275","","x-ray","0.71073","MoKα","","0.0368","0.0354","","","0.0794","0.0808","","","","","","1.045","","","","has coordinates","183190","2020-10-21","18:00:00",""
"1543377","12.391","0.0006","8.0519","0.0004","14.1295","0.0005","90","","107.842","0.002","90","","1341.92","0.11","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H28 Fe P2 -","- C34 H28 Fe P2 -","- C68 H56 Fe2 P4 -","2","1","","Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain","Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01275","","x-ray","0.71073","MoKα","","0.0332","0.032","","","0.0702","0.0712","","","","","","1.05","","","","has coordinates,has disorder","183190","2020-10-21","18:00:00",""
"1543389","8.0163","0.0007","5.9409","0.00059","10.63","0.001","90","","108.56","0.0051","90","","479.91","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M","Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.","Organic letters","2016","18","12","2796","2799","10.1021/acs.orglett.6b00840","","","0.71073","MoKα","","0.044","0.0367","","","0.0869","0.0919","","","","","","1.041","","","","has coordinates","184967","2020-10-21","18:00:00",""
"1543409","10.222","0.0003","20.4529","0.0006","11.0286","0.0003","90","","102.19","0.002","90","","2253.76","0.11","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N6 O3 Pd -","- C24 H22 N6 O3 Pd -","- C96 H88 N24 O12 Pd4 -","4","2","","Ye, Xiaohan; Xu, Chang; Wojtas, Lukasz; Akhmedov, Novruz G.; Chen, Hao; Shi, Xiaodong","Silver-Free Palladium-Catalyzed sp(3) and sp(2) C-H Alkynylation Promoted by a 1,2,3-Triazole Amine Directing Group.","Organic letters","2016","18","12","2970","2973","10.1021/acs.orglett.6b01319","","","1.54178","CuKα","","0.0356","0.03","","","0.058","0.0597","","","","","","1.028","","","","has coordinates","184972","2020-10-21","18:00:00",""
"1543433","11.2983","0.0004","40.617","0.002","11.3731","0.0004","90","","112.949","0.004","90","","4806.1","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H19 F3 N2 O3 S -","- C25 H19 F3 N2 O3 S -","- C200 H152 F24 N16 O24 S8 -","8","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.092","0.0784","","","0.2049","0.2157","","","","","","1.065","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543437","14.501","0.002","8.8433","0.0014","17.883","0.003","90","","107.206","0.003","90","","2190.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H23 F4 N2 O2 S -","- C21 H23 F4 N2 O2 S -","- C84 H92 F16 N8 O8 S4 -","4","2","","Xie, Chen; Zhang, Lijun; Sha, Wanxing; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Detrifluoroacetylative in Situ Generation of Free 3-Fluoroindolin-2-one-Derived Tertiary Enolates: Design, Synthesis, and Assessment of Reactivity toward Asymmetric Mannich Reactions.","Organic letters","2016","18","13","3270","3273","10.1021/acs.orglett.6b01516","","","0.71073","MoKα","","0.0657","0.0487","","","0.1231","0.1361","","","","","","1.027","","","","has coordinates","184948","2020-10-21","18:00:00",""
"1543497","10.8375","0.0004","9.941","0.0003","11.3983","0.0004","90","","101.181","0.004","90","","1204.69","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl 2-((4-tert-butyl-5-morpholinooxazol-2-yl)(phenyl)methyl)malonate","","- C23 H30 N2 O6 -","- C23 H29 N2 O6 -","- C46 H58 N4 O12 -","2","1","","Luo, Weiwei; Yuan, Xiao; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","A N,N′-dioxide/Mg(OTf)2complex catalyzed enantioselective α-addition of isocyanides to alkylidene malonates","Chem. Sci.","2016","7","7","4736","","10.1039/C6SC00689B","","x-ray","1.54184","CuKα","","0.0762","0.0735","","","0.1906","0.1967","","","","","","1.051","","","","has coordinates","185124","2020-10-21","18:00:00",""
"1543506","6.3586","0.0004","13.6276","0.0009","11.7469","0.0008","90","","104.559","0.002","90","","985.21","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C40 H34 N6 O16 -","2","1","VM4009","Sivakumar, P.; Niranjana Devi, R.; Israel, S.; Chakkaravarthi, G.","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","IUCrData","2016","1","6","x160979","","10.1107/S2414314616009792","","","0.71073","MoKα","","0.078","0.0452","","","0.1005","0.1172","","","","","","1.085","","","","has coordinates,has Fobs","183852","2020-10-21","18:00:00",""
"1543511","8.248","0.004","10.279","0.004","14.929","0.006","90","","92.57","0.01","90","","1264.4","0.9","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H40 N6 Ni S2 -","","","2","1","","Laskar, Inamur Rahaman; Das, Debasis; Mostafa, Golam; Welch, Alan J.; Chaudhuri, Nirmalendu Ray","Syntheses and Characterization of N,N'-Dipropyl-1,2-ethanediamine and N,N'-diisopropyl-1,2-ethanediamine Complexes of Nickel(II): Thermal Studies and X-Ray Single Crystal Structure Analysis of [Ni(N,N'-Dipropyl-1,2-ethanediamine)2(NCS)2]","Acta Chemica Scandinavica","1998","52","","702","708","10.3891/acta.chem.scand.52-0702","","x-ray","1.5406","CuKα","","","","","","","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1543617","13.2183","0.0019","18.536","0.003","16.295","0.002","90","","113.704","0.002","90","","3655.7","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K2(DMF)3][Se6Sn2(mBDCA-5t)]","","- C48 H60 K2 N8 O7.5 Se6 Sn2 -","- C48 H60 K2 N8 O7.5 Se6 Sn2 -","- C96 H120 K4 N16 O15 Se12 Sn4 -","2","1","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.1017","0.0718","","","0.1873","0.21","","","","","","1.035","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543642","7.7825","0.0011","33.713","0.005","9.4309","0.0013","90","","108.491","0.002","90","","2346.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N O6 -","- C27 H26 N O6 -","- C108 H104 N4 O24 -","4","2","","Zheng, Kai-Lu; Shu, Wen-Ming; Ma, Jun-Rui; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated N-H/α,β-C(sp(3))-H Trifunctionalization of Pyrrolidine: Intermolecular [3 + 2] Cycloaddition for the Construction of 2,3-Dihydro-1H-Pyrrolizine Derivatives.","Organic letters","2016","18","15","3526","3529","10.1021/acs.orglett.6b01369","","","0.71073","MoKα","","0.0814","0.0483","","","0.1213","0.143","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543657","6.8692","0.0012","12.221","0.002","11.7933","0.0019","90","","105.726","0.005","90","","953","0.3","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11β-Hydroxymedroxyprogesterone","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","ZL4009","Yusop, Sharifah Nurfazilah Wan; Sultan, Sadia; Yamin, Bohari M.; Shah, Syed Adnan Ali; Naz, Humera","11β-Hydroxymedroxyprogesterone","IUCrData","2016","1","7","x161075","","10.1107/S2414314616010750","","","0.71073","MoKα","","0.0664","0.0535","","","0.1144","0.122","","","","","","1.087","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"1543725","13.2223","0.0003","19.43","0.0004","13.7491","0.0003","90","","103.14","0.001","90","","3439.79","0.13","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H44 O9 -","- C33 H44 O9 -","- C132 H176 O36 -","4","2","","Zhou, Bin; Wu, Yan; Dalal, Seema; Cassera, Maria B.; Yue, Jian-Min","Euphorbesulins A-P, Structurally Diverse Diterpenoids from Euphorbia esula.","Journal of natural products","2016","79","8","1952","1961","10.1021/acs.jnatprod.6b00205","","","1.54178","CuKα","","0.0772","0.0747","","","0.1902","0.1939","","","","","","1.031","","","","has coordinates","186253","2020-10-21","18:00:00",""
"1543736","8.199","0.002","7.653","0.002","8.986","0.003","90","","104.005","0.003","90","","547.1","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Kotha, Sambasivarao; Bandi, Vijayalakshmi; Gunta, Rama; Gaddamedi, Sreevani","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","IUCrData","2016","1","7","x161173","","10.1107/S2414314616011731","","","0.71075","MoKα","","","0.0419","","","","0.0856","","","","","","0.852","","","","has coordinates,has Fobs","184677","2020-10-21","18:00:00",""
"1543749","12.1091","0.0005","8.3218","0.0004","12.7681","0.0006","90","","93.387","0.004","90","","1284.39","0.1","173","0.2","173","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0341","0.0335","","","0.0913","0.0922","","","","","","1.053","","","","has coordinates","187961","2020-10-21","18:00:00",""
"1543750","10.7392","0.0003","9.6056","0.0004","12.9349","0.0004","90","","91.623","0.003","90","","1333.78","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0331","0.032","","","0.0824","0.0836","","","","","","1.057","","","","has coordinates","187961","2020-10-21","18:00:00",""
"1543753","9.6138","0.0002","8.8891","0.0002","11.7292","0.0003","90","","97.127","0.001","90","","994.61","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4S)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","XU4010","Rida, Mohammed; El Bakri, Youness; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","(3S,4S)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161175","","10.1107/S2414314616011755","","","1.54178","CuKα","","0.0312","0.0296","","","0.0733","0.0749","","","","","","1.048","","","","has coordinates,has Fobs","184738","2020-10-21","18:00:00",""
"1543765","7.1149","0.0003","26.5631","0.0011","8.515","0.0004","90","","90.955","0.003","90","","1609.06","0.12","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","2","","Suh, Sung-Eun; Chenoweth, David M.","Aryne Compatible Solvents are not Always Innocent.","Organic letters","2016","18","16","4080","4083","10.1021/acs.orglett.6b01977","","","0.71073","MoKα","","0.0748","0.0632","","","0.1647","0.1719","","","","","","1.08","","","","has coordinates","187959","2020-10-21","18:00:00",""
"1543768","7.9088","0.0002","13.4071","0.0004","9.205","0.0003","90","","93.738","0.003","90","","973.97","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H12 N4 O6 S -","- C21 H12 N4 O6 S -","- C42 H24 N8 O12 S2 -","2","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","1.54184","CuKα","","0.0427","0.042","","","0.1065","0.1071","","","","","","1.025","","","","has coordinates","187960","2020-10-21","18:00:00",""
"1543775","12.8116","0.0003","7.9273","0.00017","16.8621","0.0004","90","","95.3096","0.0013","90","","1705.19","0.07","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H22 F10 O8 -","- C40 H22 F10 O8 -","- C80 H44 F20 O16 -","2","1","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.54187","CuKα","","","0.0931","","","","0.3054","","","","","","1.114","","","","has coordinates","184848","2020-10-21","18:00:00",""
"1543798","10.523","0.001","9.378","0.001","12.89","0.001","90","","91.59","0.01","90","","1271.6","0.2","198","2","198","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","2","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0934","0.0549","","","0.0933","0.1044","","","","","","1.226","","","","has coordinates","184882","2020-10-21","18:00:00",""
"1543807","11.911","0.004","5.8447","0.0013","12.531","0.003","90","","103.47","0.02","90","","848.4","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br O2 -","- C21 H19 Br O2 -","- C42 H38 Br2 O4 -","2","1","","Ahlin, Joachim S. E.; Cramer, Nicolai","Chiral N-Heterocyclic Carbene Ligand Enabled Nickel(0)-Catalyzed Enantioselective Three-Component Couplings as Direct Access to Silylated Indanols.","Organic letters","2016","18","13","3242","3245","10.1021/acs.orglett.6b01492","","","0.71073","MoKα","","0.0636","0.0482","","","0.1108","0.123","","","","","","1.063","","","","has coordinates","184890","2020-10-21","18:00:00",""
"1543814","8.1254","0.0007","14.0815","0.0011","10.0099","0.0008","90","","110.328","0.004","90","","1073.98","0.15","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl N O3 S -","- C23 H26 Cl N O3 S -","- C46 H52 Cl2 N2 O6 S2 -","2","1","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0953","0.0908","","","0.2392","0.2433","","","","","","1.11","","","","has coordinates","184897","2020-10-21","18:00:00",""
"1543859","9.6176","0.0009","5.2126","0.0005","21.768","0.002","90","","101.123","0.003","90","","1070.79","0.17","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0523","0.038","","","0.0861","0.0922","","","","","","1.075","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543860","9.6132","0.0006","5.2239","0.0003","22.4134","0.0016","90","","101.453","0.002","90","","1103.15","0.12","330","2","330","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1134","0.0772","","","0.1649","0.1893","","","","","","1.082","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543862","9.6123","0.0015","5.1222","0.0009","13.183","0.002","90","","98.609","0.005","90","","641.77","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0652","0.0509","","","0.1002","0.1064","","","","","","1.062","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543863","9.604","0.003","5.1222","0.0016","13.352","0.004","90","","97.137","0.007","90","","651.7","0.3","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0978","0.0521","","","0.1014","0.1167","","","","","","1.044","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543872","9.5118","0.0006","5.1936","0.0004","15.3419","0.001","90","","97.635","0.002","90","","751.18","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.998 H10.996 N O2 S0.9995 -","- C19.992 H43.984 N4 O8 S3.998 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0625","0.0466","","","0.1098","0.1179","","","","","","1.046","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543873","9.5473","0.0006","5.183","0.0003","15.583","0.001","90","","94.98","0.002","90","","768.19","0.08","320","2","320","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.996 H10.992 N O2 S0.999 -","- C19.984 H43.968 N4 O8 S3.996 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0999","0.0657","","","0.1694","0.1887","","","","","","1.073","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543874","9.588","0.004","5.203","0.002","16.101","0.007","90","","99.869","0.013","90","","791.3","0.6","405","2","405","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C5.06 H11.12 N O2 S1.015 -","- C20.24 H44.48 N4 O8 S4.06 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1753","0.1166","","","0.2624","0.2928","","","","","","1.16","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543888","9.3289","0.001","9.9031","0.001","9.8984","0.0012","90","","97.221","0.011","90","","907.21","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-{(Z)-3-Oxo-3-[(E)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","","- C20 H16 N4 O2 S -","- C20 H16 N4 O2 S -","- C40 H32 N8 O4 S2 -","2","1","","Sharma, Devinder K.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","N-{(Z)-3-Oxo-3-[(E)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","IUCrData","2016","1","8","x161276","","10.1107/S2414314616012761","","","0.71073","MoKα","","0.0773","0.0544","","","0.117","0.1366","","","","","","0.984","","","","has coordinates,has Fobs","185792","2020-10-21","18:00:00",""
"1543910","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543911","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543938","9.6443","0.0014","11.0756","0.0015","28.466","0.004","90","","94.032","0.002","90","","3033.1","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H27 F3 N6 O2 S -","- C32 H27 F3 N6 O2 S -","- C128 H108 F12 N24 O8 S4 -","4","2","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.0608","0.0481","","","0.1234","0.1348","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543976","12.4747","0.0003","8.9839","0.0001","13.2402","0.0003","90","","107.131","0.002","90","","1418.02","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O11 -","- C30 H38 O11 -","- C60 H76 O22 -","2","1","","Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li","Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis","RSC Advances","2016","6","89","85978","85984","10.1039/C6RA14721F","","","1.54178","","","0.0695","0.0637","","","0.18","0.1888","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544026","11.662","0.003","7.774","0.002","12.367","0.003","90","","115.135","0.004","90","","1015","0.4","273","2","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C44 H38 Br2 N4 O4 S2 -","2","1","","Shu, Chao; Shen, Cang-Hai; Wang, Yong-Heng; Li, Long; Li, Tao; Lu, Xin; Ye, Long-Wu","Synthesis of 2-Aza-1,3-butadienes through Gold-Catalyzed Intermolecular Ynamide Amination/C-H Functionalization.","Organic letters","2016","","","","","10.1021/acs.orglett.6b02267","","","0.71073","MoKα","","0.0398","0.0343","","","0.0771","0.0783","","","","","","0.986","","","","has coordinates","186167","2020-10-21","18:00:00",""
"1544143","8.9816","0.0004","29.4224","0.0015","13.9309","0.0007","90","","90.128","0.003","90","","3681.4","0.3","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","4","","Yamamoto, Kosuke; Qureshi, Zafar; Tsoung, Jennifer; Pisella, Guillaume; Lautens, Mark","Combining Ru-Catalyzed C-H Functionalization with Pd-Catalyzed Asymmetric Allylic Alkylation: Synthesis of 3-Allyl-3-aryl Oxindole Derivatives from Aryl α-Diazoamides.","Organic letters","2016","18","19","4954","4957","10.1021/acs.orglett.6b02423","","","1.54178","CuKα","","0.0549","0.0515","","","0.1218","0.1245","","","","","","1.057","","","","has coordinates,has disorder","187976","2020-10-21","18:00:00",""
"1544171","7.659","0.0004","20.714","0.001","10.7415","0.0006","90","","92.162","0.003","90","","1702.91","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.5 H25 Cl O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0677","0.0444","","","0.0932","0.101","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544173","5.917","0.0003","11.503","0.0006","12.0635","0.0006","90","","98.153","0.002","90","","812.78","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0376","0.0353","","","0.0917","0.0935","","","","","","1.034","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544180","6.4138","0.0006","7.6858","0.0007","15.2182","0.0014","90","","99.722","0.003","90","","739.41","0.12","299","2","299.43","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C32 H36 N4 O4 S2 -","2","1","","Aillerie, Alexandre; Lemau de Talencé, Vincent; Dumont, Clément; Pellegrini, Sylvain; Capet, Frédéric; Bousquet, Till; Pélinski, Lydie","Enantioselective transfer hydrogenation, a key step for the synthesis of 3-aminotetrahydroquinolines","New J. Chem.","2016","40","11","9034","","10.1039/C6NJ02249A","","","0.71073","MoKα","","0.0422","0.0359","","","0.0863","0.0903","","","","","","1.02","","","","has coordinates","188264","2020-10-21","18:00:00",""
"1544236","9.20362","0.00017","10.9688","0.0003","19.3712","0.0004","90","","100.345","0.002","90","","1923.79","0.08","295.1","0.5","295.1","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0558","0.0532","","","0.1488","0.1523","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544268","11.1898","0.001","8.5968","0.0008","14.2382","0.0013","90","","103.253","0.003","90","","1333.2","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C7","","- C28 H31 Cl2 Co N5 -","- C28 H31 Cl2 Co N5 -","- C56 H62 Cl4 Co2 N10 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0207","0.0193","","","0.0464","0.0468","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1544357","8.8396","0.0003","17.5572","0.0007","11.6494","0.0004","90","","94.347","0.002","90","","1802.77","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain","Highly enantioselective metallation‒substitution alpha to a chiral nitrile","Chem. Sci.","2017","8","2","1436","","10.1039/C6SC03712G","","","1.54178","CuKα","","0.1283","0.0825","","","0.2026","0.2326","","","","","","1.022","","","","has coordinates","191521","2020-10-21","18:00:00",""
"1544398","8.895","0.005","7.648","0.005","15.091","0.005","90","","98.566","0.005","90","","1015.2","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-({[4-(Benzo[d]thiazol-2-yl)phenyl]imino}methyl)-N,N-diethylaniline","","- C24 H23 N3 S -","- C24 H23 N3 S -","- C48 H46 N6 S2 -","2","1","","Yao, Shun; Zhang, Xin","(E)-4-({[4-(Benzo[d]thiazol-2-yl)phenyl]imino}methyl)-N,N-diethylaniline","IUCrData","2016","1","10","x161621","","10.1107/S2414314616016217","","","0.71069","MoKα","","0.0558","0.0441","","","0.1129","0.122","","","","","","1.044","","","","has coordinates,has Fobs","187666","2020-10-21","18:00:00",""
"1544415","11.3157","0.0004","38.855","0.0013","13.6376","0.0006","90","","113.036","0.005","90","","5517.9","0.4","104.7","","104.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C240 H384 O40 -","8","4","","Lv, Xiao-Jing; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Li, Yu-Huan; Zhang, Dan; Li, Li; Yu, Shi-Shan","Antiviral Triterpenes from the Twigs and Leaves of Lyonia ovalifolia","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00585","","","1.5418","CuKα","","0.0529","0.0506","","","0.1316","0.134","","","","","","1.022","","","","has coordinates","187692","2020-10-21","18:00:00",""
"1544475","9.2381","0.0005","6.9763","0.0006","16.891","0.0008","90","","90.987","0.003","90","","1088.43","0.12","100","","100.01","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O7 -","- C22 H36 O7 -","- C44 H72 O14 -","2","1","","Zhang, Yan; Adnani, Navid; Braun, Doug R.; Ellis, Gregory A.; Barns, Kenneth J.; Parker-Nance, Shirley; Guzei, Ilia A.; Bugni, Tim S.","Micromonohalimanes A and B: Antibacterial Halimane-Type Diterpenoids from a Marine Micromonospora Species","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00555","","x-ray","1.54178","CuKα","","0.0301","0.0297","","","0.0786","0.079","","","","","","1.032","","","","has coordinates,has disorder","187822","2020-10-21","18:00:00",""
"1544485","9.1262","0.0004","11.2141","0.0005","13.5183","0.0006","90","","99.968","0.003","90","","1362.61","0.11","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O10 -","- C25 H38 O10 -","- C50 H76 O20 -","2","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0533","0.0514","","","0.1426","0.1461","","","","","","1.027","","","","has coordinates","187847","2020-10-21","18:00:00",""
"1544492","9.0537","0.0004","9.9085","0.0005","13.6295","0.0007","90","","93.611","0.002","90","","1220.26","0.1","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O9 -","- C25 H34 O9 -","- C50 H68 O18 -","2","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0331","0.0329","","","0.0854","0.0857","","","","","","1.058","","","","has coordinates","187854","2020-10-21","18:00:00",""
"1544586","12.957","0.002","5.3621","0.001","14.44","0.003","90","","109.548","0.002","90","","945.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9H-Carbazole-9-carbaldehyde","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","2","","Wang, Cong; Wang, An-Ran; Li, Sheng-Li","9H-Carbazole-9-carbaldehyde","IUCrData","2016","1","11","x161757","","10.1107/S2414314616017570","","","0.71073","MoKα","","0.0299","0.0288","","","0.0746","0.0756","","","","","","1.069","","","","has coordinates,has Fobs","188506","2020-10-21","18:00:00",""
"1544588","8.453","0.0014","18.142","0.003","10.3805","0.0015","90","","97.637","0.004","90","","1577.8","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H48 N2 O Zn -","- C35 H48 N2 O Zn -","- C70 H96 N4 O2 Zn2 -","2","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)","Macromolecules","2016","","","","","10.1021/acs.macromol.6b01908","","x-ray","0.71073","MoKα","","0.0649","0.0444","","","0.073","0.0804","","","","","","0.963","","","","has coordinates","188519","2020-10-21","18:00:00",""
"1544590","10.894","0.002","33.799","0.007","21.937","0.005","90","","101.82","0.004","90","","7906","3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H98 N4 O4 Si2 Zn2 -","- C89 H100 N4 O4 Si2 Zn2 -","- C356 H400 N16 O16 Si8 Zn8 -","4","2","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)","Macromolecules","2016","","","","","10.1021/acs.macromol.6b01908","","","0.71073","MoKα","","0.0574","0.0433","","","0.0893","0.0933","","","","","","0.996","","","","has coordinates","188519","2020-10-21","18:00:00",""
"1544688","18.1759","0.0005","9.1998","0.0003","18.1799","0.0005","90","","106.594","0.001","90","","2913.34","0.15","170","2","170","2","","","","","","","","3","P 1 21 1","P 2yb","4","β-pallidopenillin A","","","- C15 H24 O4 -","- C15 H24 O4 -","- C120 H192 O32 -","8","4","","Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh.","Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00624","","","0.71073","MoKα","","0.0404","0.0357","","","0.0882","0.0926","","","","","","1.051","","","","has coordinates","188744","2020-10-21","18:00:00",""
"1544702","20.20836","0.00017","21.378","0.0002","20.70075","0.00019","90","","90.0578","0.0008","90","","8943.02","0.14","123","0.1","123","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H140 F6 N16 O10 P Sb -","- C82 H140 F6 N16 O10 P Sb -","- C328 H560 F24 N64 O40 P4 Sb4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0931","0.0932","","","","","","1.039","","","","has coordinates","193733","2020-10-21","18:00:00",""
"1544705","20.1263","0.0003","21.3089","0.0003","20.7811","0.0002","90","","90.0371","0.0012","90","","8912.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H140 I N16 O14 P -","- C82 H140 I0.9995 N16 O13.998 P -","- C328 H560 I3.998 N64 O55.992 P4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","0.71073","MoKα","","0.0385","0.0362","","","0.0837","0.0862","","","","","","1.041","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544722","11.1727","0.0002","25.9159","0.0005","12.5581","0.0008","90","","91.097","0.006","90","","3635.5","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H48 O12 -","- C37 H48 O12 -","- C148 H192 O48 -","4","2","","Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc","Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.","Journal of natural products","2016","79","11","2873","","10.1021/acs.jnatprod.6b00644","","","1.54187","CuKα","","0.0522","0.0399","","","0.0922","0.1101","","","","","","1.106","","","","has coordinates","188878","2020-10-21","18:00:00",""
"1544759","10.6457","0.0005","19.2443","0.0009","16.2208","0.0008","90","","91.27","0.003","90","","3322.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 2'","[SiP(NMe)3]FeN2","","- C33 H45 Cl0 Fe N5 P3 Si -","- C33 H45 Fe N5 P3 Si -","- C132 H180 Fe4 N20 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0501","0.0461","","","0.1121","0.1145","","","","","","1.1","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544765","10.4566","0.0002","5.9821","0.0001","12.204","0.0003","90","","97.46","0.001","90","","756.93","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","BV4006","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate","IUCrData","2016","1","12","x161924","","10.1107/S2414314616019246","","","0.71073","MoKα","","0.0638","0.042","","","0.1075","0.1215","","","","","","1.046","","","","has coordinates,has Fobs","189036","2020-10-21","18:00:00",""
"1544781","7.8585","0.001","13.8457","0.0017","8.4093","0.001","90","","106.247","0.004","90","","878.45","0.19","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Qiao, Yuben; Xu, Qianqian; Hu, Zhengxi; Li, Xiao-Nian; Xiang, Ming; Liu, Junjun; Huang, Jinfeng; Zhu, Hucheng; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Diterpenoids of the Cassane Type from Caesalpinia decapetala","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00910","","","1.54178","CuKα","","0.066","0.0366","","","0.1015","0.1041","","","","","","1.085","","","","has coordinates","189128","2020-10-21","18:00:00",""
"1544814","10.2447","0.0006","8.1822","0.0004","16.059","0.0008","90","","100.634","0.002","90","","1323.01","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","2","","Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui","Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.","Journal of natural products","2017","80","1","162","168","10.1021/acs.jnatprod.6b00797","","","1.54178","CuKα","","0.0555","0.0454","","","0.1104","0.1203","","","","","","1.047","","","","has coordinates","191355","2020-10-21","18:00:00",""
"1544820","8.715","0.005","7.301","0.004","12.113","0.006","90","","101.209","0.009","90","","756","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Hydroxymethyl-2H-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2H-chromen-2-one","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","TK4026","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2H-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2H-chromen-2-one","IUCrData","2016","1","12","x161989","","10.1107/S2414314616019891","","","0.71073","MoKα","","0.0655","0.0579","","","0.1645","0.1733","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","189283","2020-10-21","18:00:00",""
"1544922","7.1535","0.0009","11.5439","0.001","9.2553","0.0012","90","","110.398","0.014","90","","716.37","0.16","123","0.1","123","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","","1.54184","CuKα","","0.0229","0.0227","","","0.0588","0.059","","","","","","1.071","","","","has coordinates","191359","2020-10-21","18:00:00",""
"1544924","7.098","0.005","11.005","0.005","12.116","0.006","90","","98.904","0.008","90","","935","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0433","0.0409","","","0.1028","0.1048","","","","","","1.059","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544925","7.342","0.004","15.348","0.012","8.002","0.004","90","","98.622","0.008","90","","891.5","1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0471","0.042","","","0.1153","0.1497","","","","","","1.22","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544946","12.8335","0.0005","11.8956","0.0005","12.9307","0.0005","90","","106.751","0.001","90","","1890.26","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","DK-KS-Q87","((8R,8aS)-3-oxo-8a-propyloctahydroindolizin-8-yl)methyl 4-bromophenylcarbamate","","- C19 H25 Br N2 O3 -","- C19 H25 Br N2 O3 -","- C76 H100 Br4 N8 O12 -","4","2","","Srinivas, Kyatham; Singh, Nishant; Das, Dinabandhu; Koley, Dipankar","Organocatalytic, Asymmetric Synthesis of Aza-Quaternary Center of Izidine Alkaloids: Synthesis of (-)-Tricyclic Skeleton of Cylindricine.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03605","","","0.71073","MoKα","","0.0407","0.0317","","","0.0631","0.0655","","","","","","0.994","","","","has coordinates","189701","2020-10-21","18:00:00",""
"1544947","9.3929","0.0012","6.4813","0.0007","17.376","0.002","90","","101.247","0.003","90","","1037.5","0.2","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C40 H52 Br2 N2 O8 -","2","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","0.71075","MoKα","","0.0883","0.049","","","0.1022","0.1448","","","","","","1.098","","","","has coordinates","191404","2020-10-21","18:00:00",""
"1544953","8.3665","0.0008","10.0146","0.001","10.4237","0.001","90","","108.862","0.004","90","","826.47","0.14","123","","123","","","","","","","","Royal","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Royal, Titouan; Baumgartner, Yann; Baudoin, Olivier","Enantioselective α-Arylation of O-Carbamates via Sparteine-Mediated Lithiation and Negishi Cross-Coupling.","Organic letters","2017","19","1","166","169","10.1021/acs.orglett.6b03472","","","1.54178","CuKα","","0.0262","0.026","","0.0544","0.0544","0.0544","","","","","","0.8942","","","","has coordinates","191407","2020-10-21","18:00:00",""
"1544954","11.394","0.0001","19.6042","0.0002","14.8451","0.0001","90","","93.367","0.001","90","","3310.23","0.05","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H86 Cl2 O23 -","- C65 H74 Cl2 O23 -","- C130 H148 Cl4 O46 -","2","1","","Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard","Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03479","","","1.54178","CuKα","","0.1033","0.0989","","","0.2003","0.2024","","","","","","1.008","","","","has coordinates,has disorder","189709","2020-10-21","18:00:00",""
"1544963","7.8462","0.0004","11.066","0.0005","10.6654","0.0006","90","","112.684","0.003","90","","854.4","0.08","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O4 -","- C16 H27 N O4 -","- C32 H54 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1463","0.0683","","","0.1375","0.2071","","","","","","1.139","","","","has coordinates","191408","2020-10-21","18:00:00",""
"1544994","9.1176","0.0012","16.071","0.002","19.36","0.002","90","","98.211","0.004","90","","2807.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 B F15 N -","- C30 H23 B F15 N -","- C120 H92 B4 F60 N4 -","4","2","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1115","0.0612","","","0.1098","0.1284","","","","","","1.045","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545001","8.407","0.0004","23.1784","0.0013","11.0659","0.0006","90","","100.323","0.002","90","","2121.41","0.19","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","2","","Qiao, Yuben; Xu, Qianqian; Hu, Zhengxi; Li, Xiao-Nian; Xiang, Ming; Liu, Junjun; Huang, Jinfeng; Zhu, Hucheng; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Diterpenoids of the Cassane Type from Caesalpinia decapetala.","Journal of natural products","2016","79","12","3134","3142","10.1021/acs.jnatprod.6b00910","","","1.54178","CuKα","","0.0553","0.0545","","","0.1412","0.1422","","","","","","1.075","","","","has coordinates","189878","2020-10-21","18:00:00",""
"1545002","9.4232","0.0002","8.8867","0.0002","18.0421","0.0004","90","","104.356","0.001","90","","1463.69","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O11 -","- C30 H38 O11 -","- C60 H76 O22 -","2","1","","Gao, Lei; Zhang, Rujun; Lan, Jianfeng; Ning, Ruonan; Wu, Di; Chen, Di; Zhao, Weimin","β-Dihydroagarofuran-Type Sesquiterpenes from the Seeds of Celastrus monospermus and Their Lifespan-Extending Effects on the Nematode Caenorhabditis elegans.","Journal of natural products","2016","79","12","3039","3046","10.1021/acs.jnatprod.6b00648","","","1.54178","CuKα","","0.0322","0.0304","","","0.0807","0.0872","","","","","","1.094","","","","has coordinates","189879","2020-10-21","18:00:00",""
"1545055","15.1202","0.0007","5.6812","0.0003","19.0459","0.0008","90","","97.578","0.004","90","","1621.77","0.13","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","2","","Berthet, Mathéo; Legrand, Baptiste; Martinez, Jean; Parrot, Isabelle","A General Approach to the Aza-Diketomorpholine Scaffold","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03656","","","1.54184","CuKα","","0.0635","0.0508","","0.0792","0.057","0.057","","","","","","1.0953","","","","has coordinates","190608","2020-10-21","18:00:00",""
"1545066","9.3634","0.0006","5.3559","0.0003","13.9632","0.0008","90","","107.183","0.006","90","","668.99","0.07","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Lee, Melissa; Sanford, Melanie S.","Remote C(sp(3))-H Oxygenation of Protonated Aliphatic Amines with Potassium Persulfate.","Organic letters","2017","19","3","572","575","10.1021/acs.orglett.6b03731","","","1.54178","CuKα","","0.0628","0.0547","","","0.1525","0.1615","","","","","","0.975","","","","has coordinates","191386","2020-10-21","18:00:00",""
"1545099","9.1532","0.0005","6.0178","0.0003","11.7576","0.0007","90","","94.1913","0.0013","90","","645.9","0.06","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H12 S2 -","- C16 H12 S2 -","- C32 H24 S4 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.6893","synchrotron","","0.051","0.0369","","","0.0738","0.0774","","","","","","0.908","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545144","12.8937","0.0002","6.0514","0.0001","14.068","0.0002","90","","107.517","0.001","90","","1046.75","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0383","0.0379","","","0.0942","0.0948","","","","","","1.057","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545163","13.6336","0.0003","14.6369","0.0003","33.2755","0.0007","90","","89.215","0.002","90","","6639.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H93 N11 O11 -","- C55 H93 N11 O11 -","- C220 H372 N44 O44 -","4","2","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.5418","CuKα","","0.1879","0.1544","","","0.3885","0.4276","","","","","","1.383","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545165","18.8804","0.0008","7.5624","0.0003","18.9543","0.0008","90","","97.589","0.007","90","","2682.6","0.2","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O2 Si -","- C22 H34 N2 O2 Si -","- C88 H136 N8 O8 Si4 -","4","2","","Liu, Zijian; Takeuchi, Toshifumi; Pluta, Roman; Arteaga Arteaga, Fernando; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Alkylamides.","Organic letters","2017","19","3","710","713","10.1021/acs.orglett.6b03890","","","1.54187","CuKα","","0.0959","0.0649","","","0.1825","0.2095","","","","","","0.948","","","","has coordinates,has disorder","191394","2020-10-21","18:00:00",""
"1545166","9.9986","0.0015","18.897","0.003","12.05","0.0019","90","","91.502","0.006","90","","2276","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H57 F7 N3 O12 P -","- C41 H57 F7 N3 O12 P -","- C82 H114 F14 N6 O24 P2 -","2","1","","Saito, Fumito; Bode, Jeffrey W.","Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds","Chem. Sci.","2017","8","4","2878","","10.1039/C7SC00021A","","x-ray","0.71073","MoKα","","0.0486","0.0366","","","0.0686","0.0732","","","","","","1.013","","","","has coordinates","195002","2020-10-21","18:00:00",""
"1545169","5.9062","0.0003","9.1377","0.0004","13.7532","0.0006","90","","90.423","0.002","90","","742.23","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-R-1-(benzyloxy)-5,5-dichloro-6-methylhept-2-yn-4-ol","","- C15 H18 Cl2 O2 -","- C15 H18 Cl2 O2 -","- C30 H36 Cl4 O4 -","2","1","","Sempere Molina, Yeshua; Ruchti, Jonathan; Carreira, Erick M.","Enantioselective Addition of Alkynes to α,α-Dichlorinated Aldehydes.","Organic letters","2017","19","4","743","745","10.1021/acs.orglett.6b03692","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0668","0.0689","","","","","","0.975","","","","has coordinates","193642","2020-10-21","18:00:00",""
"1545172","10.5646","0.0016","6.8915","0.001","12.256","0.0017","90","","95.573","0.005","90","","888.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H17 Ag Cl N3 O S -","- C17 H17 Ag Cl N3 O S -","- C34 H34 Ag2 Cl2 N6 O2 S2 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.0712","0.05","","","0.1114","0.1215","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545175","9.16074","0.00006","6.01447","0.00004","10.6243","0.0001","90","","92.073","0.001","90","","584.984","0.008","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(2S,3R,3aR,7aS)-5-Oxo-2-phenylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0714","0.0716","","","","","","1.073","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545178","6.8159","0.0003","9.972","0.0005","17.7839","0.0008","90","","98.748","0.002","90","","1194.68","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0312","0.0307","","","0.0865","0.0868","","","","","","1.109","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545189","11.1099","0.0008","11.0682","0.0008","17.9212","0.0013","90","","99.233","0.001","90","","2175.2","0.3","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Zhou, Yong; Xia, Zi-Lei; Gu, Qing; You, Shu-Li","Chiral Phosphoric Acid Catalyzed Intramolecular Dearomative Michael Addition of Indoles to Enones.","Organic letters","2017","19","4","762","765","10.1021/acs.orglett.6b03610","","","0.71073","MoKα","","0.0532","0.0416","","","0.0955","0.1037","","","","","","1.021","","","","has coordinates","193649","2020-10-21","18:00:00",""
"1545202","7.46453","0.00007","14.64416","0.00012","8.31421","0.00009","90","","109.825","0.0011","90","","854.979","0.015","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C36 H40 O16 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0701","0.0701","","","","","","1.058","","","","has coordinates","191278","2020-10-21","18:00:00",""
"1545216","9.2043","0.0012","19.51","0.003","12.5785","0.0017","90","","101.112","0.013","90","","2216.4","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N3 O4 -","- C25 H20 Cl N3 O4 -","- C100 H80 Cl4 N12 O16 -","4","2","","Maity, Rajendra; Gharui, Chandan; Sil, Arun K.; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael/Hemiketalization/Retro-aldol Reaction of α-Nitroketones with Unsaturated Pyrazolones: Synthesis of 3-Acyloxy Pyrazoles.","Organic letters","2017","19","3","662","665","10.1021/acs.orglett.6b03823","","","0.71073","MoKα","","0.087","0.0643","","","0.1727","0.1987","","","","","","1.08","","","","has coordinates","191308","2020-10-21","18:00:00",""
"1545221","7.6621","0.001","9.8166","0.0011","19.265","0.002","90","","101.448","0.007","90","","1420.2","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C40 H26 O6 -","- C40 H26 O6 -","- C80 H52 O12 -","2","1","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.1183","0.093","","","0.25","0.2975","","","","","","1.08","","","","has coordinates","191313","2020-10-21","18:00:00",""
"1545232","10.6064","0.0002","23.8323","0.0004","13.3936","0.0003","90","","98.0064","0.0012","90","","3352.57","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 N O3 Si -","- C38 H41 N O3 Si -","- C152 H164 N4 O12 Si4 -","4","2","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0536","0.0415","","","0.0992","0.1158","","","","","","1.095","","","","has coordinates","191324","2020-10-21","18:00:00",""
"1545235","11.8946","0.0009","7.631","0.0006","12.2455","0.001","90","","112.27","0.004","90","","1028.59","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1918","0.0901","","","0.1846","0.2607","","","","","","0.907","","","","has coordinates","191327","2020-10-21","18:00:00",""
"1545238","16.515","0.0006","29.077","0.001","19.3491","0.0007","90","","110.59","0.002","90","","8698","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38.625 H55 N2 O14.875 -","- C38.625 H55 N2 O14.875 -","- C309 H440 N16 O119 -","8","4","","Williams, David E.; Dalisay, Doralyn S.; Chen, Jessie; Polishchuck, Elena A.; Patrick, Brian O.; Narula, Gagandeep; Ko, Mary; Av-Gay, Yossef; Li, Haoxin; Magarvey, Nathan; Andersen, Raymond J.","Aminorifamycins and Sporalactams Produced in Culture by a Micromonospora sp. Isolated from a Northeastern-Pacific Marine Sediment Are Potent Antibiotics.","Organic letters","2017","19","4","766","769","10.1021/acs.orglett.6b03619","","x-ray","1.54178","CuKα","","0.0685","0.0629","","","0.1698","0.1762","","","","","","1.029","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545254","10.8723","0.0002","8.4197","0.0002","14.4418","0.0003","90","","93.434","0.001","90","","1319.65","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O9 S -","- C26 H29 N O9 S -","- C52 H58 N2 O18 S2 -","2","1","","Probst, Nicolas; Martin, Amélie; Désiré, Jérôme; Mingot, Agnès; Marrot, Jérôme; Blériot, Yves; Thibaudeau, Sébastien","HF-Induced Intramolecular C-Arylation and C-Alkylation/Fluorination of 2-Aminoglycopyranoses.","Organic letters","2017","19","5","1040","1043","10.1021/acs.orglett.7b00003","","","0.71073","MoKα","","0.0662","0.0485","","","0.1103","0.1197","","","","","","1.031","","","","has coordinates","193636","2020-10-21","18:00:00",""
"1545270","6.4419","0.0001","14.7348","0.0002","10.7176","0.0001","90","","106.31","0.001","90","","976.38","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C36 H44 N4 O14 S2 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0736","0.0742","","","","","","1.045","","","","has coordinates","195188","2020-10-21","18:00:00",""
"1545271","7.0627","0.0002","9.6573","0.0004","10.032","0.0003","90","","110.448","0.004","90","","641.13","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C24 H28 N4 O12 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.033","0.0314","","","0.0779","0.0792","","","","","","1.06","","","","has coordinates","195188","2020-10-21","18:00:00",""
"1545278","6.3152","0.0003","16.8108","0.0008","8.4777","0.0004","90","","101.693","0.001","90","","881.35","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C38 H50 N6 O8 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0271","0.0271","","","0.0681","0.0681","","","","","","1.064","","","","has coordinates","193629","2020-10-21","18:00:00",""
"1545294","19.6602","0.0015","14.7796","0.0012","26.125","0.0019","90","","91.529","0.004","90","","7588.4","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7.833333 -","- C25 H34 O7.83333 -","- C300 H408 O94 -","12","6","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.1573","0.0988","","","0.2565","0.3084","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545317","6.0388","0.0002","20.9417","0.0008","9.9049","0.0004","90","","105.867","0.004","90","","1204.88","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0418","0.039","","","0.1049","0.1095","","","","","","1.038","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545323","7.9588","0.0009","5.6834","0.0006","17.1239","0.0019","90","","90.062","0.002","90","","774.57","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","1","","Li, Guo-Tai; Li, Zhi-Ke; Gu, Qing; You, Shu-Li","Asymmetric Synthesis of 4-Aryl-3,4-dihydrocoumarins by N-Heterocyclic Carbene Catalyzed Annulation of Phenols with Enals.","Organic letters","2017","19","6","1318","1321","10.1021/acs.orglett.7b00088","","","0.71073","MoKα","","0.0334","0.0317","","","0.0888","0.0908","","","","","","0.999","","","","has coordinates","194876","2020-10-21","18:00:00",""
"1545325","14.658","0.006","7.843","0.003","14.692","0.006","90","","109.942","0.008","90","","1587.8","1.1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 N3 O2 -","- C40 H39 N3 O2 -","- C80 H78 N6 O4 -","2","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.082","0.0491","","","0.1014","0.12","","","","","","0.99","","","","has coordinates","193631","2020-10-21","18:00:00",""
"1545326","8.812","0.00014","9.83567","0.00018","11.24951","0.00019","90","","108.818","0.0018","90","","922.9","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N2 O6 P -","- C15 H20 Cl N2 O6 P -","- C30 H40 Cl2 N4 O12 P2 -","2","1","","Du, Fei; Zhou, Jiao; Peng, Yungui","Asymmetric Reaction of α-Diazomethylphosphonates with α-Ketoesters To Access Optically Active α-Diazo-β-hydroxyphosphonate Derivatives.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00128","","","1.54184","CuKα","","0.0307","0.0306","","","0.0868","0.0869","","","","","","1.073","","","","has coordinates","192671","2020-10-21","18:00:00",""
"1545337","8.32","0.003","3.9035","0.0014","21.515","0.008","90","","91.08","0.005","90","","698.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 S -","- C22 H12 S -","- C44 H24 S2 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0779","0.0641","","","0.1798","0.1911","","","","","","1.061","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545377","10.4395","0.0001","10.8739","0.0001","16.7853","0.0002","90","","95.448","0.001","90","","1896.83","0.03","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cannabidiol","2-[(1R,6R)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl]-5-pentylbenzene-1,3-diol","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","SU4129","Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael","Cannabidiol revisited","IUCrData","2017","2","2","x170276","","10.1107/S2414314617002760","","","1.39222","CuKβ","","0.0336","0.0322","","","0.0861","0.0881","","","","","","1.027","","","","has coordinates,has Fobs","192762","2020-10-21","18:00:00",""
"1545379","6.9962","0.0013","18.654","0.004","12.426","0.003","90","","91.273","0.005","90","","1621.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2R,8R)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C64 H92 Cl8 N4 O4 -","4","2","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1S,2R,8R)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","IUCrData","2017","2","2","x170255","","10.1107/S2414314617002553","","","0.71073","MoKα","","0.0594","0.0381","","","0.0835","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","192764","2020-10-21","18:00:00",""
"1545389","9.4629","0.0004","15.2084","0.0007","15.6029","0.0006","90","","93.466","0.003","90","","2241.39","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H68 F3 N7 O8 -","- C41 H68 F3 N7 O8 -","- C82 H136 F6 N14 O16 -","2","1","","Mendelsohn, Brian A.; Barnscher, Stuart D.; Snyder, Josh T.; An, Zili; Dodd, Jennifer M.; Dugal-Tessier, Julien","Investigation of Hydrophilic Auristatin Derivatives for Use in Antibody Drug Conjugates.","Bioconjugate chemistry","2017","28","2","371","381","10.1021/acs.bioconjchem.6b00530","","","1.54178","CuKα","","0.0325","0.0312","","","0.0913","0.0926","","","","","","1.048","","","","has coordinates","192853","2020-10-21","18:00:00",""
"1545390","12.9683","0.0006","6.3279","0.0003","15.6194","0.0006","90","","90.65","0.004","90","","1281.68","0.1","173","0.1","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54178","CuKα","","0.0498","0.0452","","","0.1152","0.1194","","","","","","1.031","","","","has coordinates","196137","2020-10-21","18:00:00",""
"1545394","10.7132","0.0006","5.9764","0.0003","28.5202","0.0017","90","","93.062","0.004","90","","1823.44","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","2","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","1.54178","CuKα","","0.0692","0.0469","","","0.0925","0.1002","","","","","","1.024","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545410","8.3072","0.0002","8.03313","0.00019","12.8765","0.0003","90","","101.571","0.003","90","","841.82","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.5418","CuKα","","0.031","0.0306","","","0.0834","0.084","","","","","","1.046","","","","has coordinates","193205","2020-10-21","18:00:00",""
"1545425","6.6697","0.0003","12.9985","0.0005","10.514","0.0004","90","","92.171","0.001","90","","910.87","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C38 H52 N4 O10 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0337","0.0318","","","0.0771","0.0786","","","","","","1.049","","","","has coordinates","193348","2020-10-21","18:00:00",""
"1545443","9.067","0.003","8.352","0.003","13.405","0.004","90","","90.005","0.005","90","","1015.1","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","2","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0406","0.0384","","","0.0903","0.0918","","","","","","1.059","","","","has coordinates","193365","2020-10-21","18:00:00",""
"1545444","16.7882","0.0007","10.054","0.0004","17.3664","0.0007","90","","91.709","0.002","90","","2929.9","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br2 N O11 -","- C29 H21 Br2 N O11 -","- C116 H84 Br8 N4 O44 -","4","2","","Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas","A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin.","Organic letters","2017","19","5","1156","1159","10.1021/acs.orglett.7b00194","","","1.54178","CuKα","","0.0392","0.0385","","","0.0936","0.094","","","","","","1.154","","","","has coordinates,has disorder","193366","2020-10-21","18:00:00",""
"1545459","9.0525","0.0012","8.6536","0.0012","10.8768","0.0014","90","","108.402","0.002","90","","808.48","0.19","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","FC-4d","","","- C18 H14 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C36 H30 Br2 N4 O4 -","2","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0264","0.0239","","","0.0572","0.0581","","","","","","1.008","","","","has coordinates","193378","2020-10-21","18:00:00",""
"1545467","10.7121","0.0011","9.923","0.0011","19.323","0.002","90","","97.966","0.003","90","","2034.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H54 Br N2 O4 P S -","- C40 H54 Br N2 O4 P S -","- C80 H108 Br2 N4 O8 P2 S2 -","2","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.0604","0.05","","","0.1301","0.1375","","","","","","1.034","","","","has coordinates,has disorder","193386","2020-10-21","18:00:00",""
"1545471","11.1264","0.0005","23.9534","0.0011","15.5703","0.0007","90","","92.3778","0.0019","90","","4146.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H51 Br O18 -","- C34.5 H51 Br O18 -","- C138 H204 Br4 O72 -","4","2","","Hayashi, Taiki; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Carthamin. 2. Stereoselective Approach to C-Glycosyl Quinochalcone via Desymmetrization.","Organic letters","2017","19","4","866","869","10.1021/acs.orglett.6b03899","","","1.54186","CuKα","","0.1388","0.0948","","","0.2461","0.2955","","","","","","0.982","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545473","15.7527","0.0006","8.9786","0.0003","24.0362","0.0009","90","","108.197","0.004","90","","3229.6","0.2","104.7","","104.7","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.2 H42.09 N3 O9.5 -","- C34.2 H42.1 N3 O9.5 -","- C136.8 H168.4 N12 O38 -","4","2","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0483","0.0443","","","0.1164","0.1207","","","","","","1.023","","","","has coordinates,has disorder","193391","2020-10-21","18:00:00",""
"1545480","15.4975","0.001","7.8125","0.0005","24.1875","0.0018","90","","107.517","0.008","90","","2792.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-[(S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","","- C20 H21.33333 F N O4.66667 -","- C20 H21.3333 F N O4.66667 -","- C120 H128 F6 N6 O28 -","6","3","SJ4083","Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu","(S)-3-[(S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","IUCrData","2017","2","2","x170213","","10.1107/S2414314617002139","","","1.54184","CuKα","","0.052","0.042","","","0.1117","0.119","","","","","","1.058","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545494","5.454","0.0003","8.8013","0.0005","30.2297","0.0018","90","","92.835","0.001","90","","1449.32","0.14","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Glutaminium 4-methylbenzenesulfonate","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","2","BT4036","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","L-Glutaminium 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170162","","10.1107/S2414314617001626","","","0.71073","MoKα","","0.0433","0.0357","","","0.0869","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","193956","2020-10-21","18:00:00",""
"1545503","5.93718","0.00011","16.9484","0.0003","10.8841","0.0002","90","","103.797","0.0019","90","","1063.62","0.03","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","{(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","","- C21 H21 F2 N3 O4 S -","- C21 H21 F2 N3 O4 S -","- C42 H42 F4 N6 O8 S2 -","2","1","SJ4084","Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu","{(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170242","","10.1107/S2414314617002425","","","1.54184","CuKα","","0.0375","0.0334","","","0.0824","0.0853","","","","","","1.05","","","","has coordinates,has Fobs","193967","2020-10-21","18:00:00",""
"1545540","17.2939","0.0018","4.8191","0.0007","16.9544","0.0015","90","","113.529","0.017","90","","1295.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACEMETACINPABA","","","- C28 H25 Cl N2 O8 -","- C28 H25 Cl N2 O8 -","- C56 H50 Cl2 N4 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0404","1.365","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545575","6.399","0.003","11.401","0.006","8.532","0.004","90","","91.285","0.008","90","","622.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0516","0.0493","","","0.0967","0.0982","","","","","","1.012","","","","has coordinates","196189","2020-10-21","18:00:00",""
"1545592","12.2554","0.0007","15.2305","0.0009","13.7518","0.0009","90","","109.929","0.008","90","","2413.1","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Kondoh, Azusa; Kamata, Yuji; Terada, Masahiro","Synthesis of Enantioenriched γ-Amino-α,β-unsaturated Esters Utilizing Palladium-Catalyzed Rearrangement of Allylic Carbamates for Direct Application to Formal [3 + 2] Cycloaddition","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00471","","","0.71075","MoKα","","0.0513","0.0427","","","0.0971","0.1009","","","","","","1.036","","","","has coordinates","194334","2020-10-21","18:00:00",""
"1545624","6.916","0.003","12.812","0.003","7.661","0.002","90","","106.25","0.04","90","","651.7","0.4","","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K2 O15 Si6 Ti -","- K2 O15 Si6 Ti -","- K4 O30 Si12 Ti2 -","2","1","","Xiaodong Zou; Mike S. Dadachov","A New Mixed Framework Compound with Corrugated [Si6O15] Layers: K2TiSi6O15","Journal of Solid State Chemistry","2001","156","","135","142","10.1006/jssc.2000.8972","","x-ray","0.71073","MoKα","","0.0415","0.0329","","","0.0736","0.0765","","","","","","0.98","","","","has coordinates","194418","2020-10-21","18:00:00",""
"1545646","8.0947","0.0002","10.0336","0.0002","7.6711","0.0002","90","","111.392","0.002","90","","580.12","0.03","","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ga2 H11 O13 P3 -","- D11 Ga2 O13 P3 -","- D22 Ga4 O26 P6 -","2","1","","Morris, Russell E.; Harrison, William T. A.; Nicol, Jacqueline M.; Wilkinson, Angus P.; Cheetham, Anthony K.","Determination of complex structures by combined neutron and synchrotron X-ray powder diffraction","Nature","1992","359","","519","522","10.1038/359519a0","powder diffraction","x-ray","1.29915","synchrotron","","","","","","","","0.0291","","","","","","","","","has coordinates","194479","2020-10-21","18:00:00",""
"1545656","10.0039","0.0012","11.6625","0.0013","25.912","0.003","90","","94.479","0.003","90","","3013.9","0.6","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H29 Br N2 O2 -","- C37 H29 Br N2 O2 -","- C148 H116 Br4 N8 O8 -","4","2","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0591","0.0424","","","0.1041","0.1103","","","","","","1.024","","","","has coordinates","196186","2020-10-21","18:00:00",""
"1545657","12.4503","0.0007","9.3115","0.0004","15.1532","0.0008","90","","103.909","0.002","90","","1705.22","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H39 Br N2 O3 -","- C41 H39 Br N2 O3 -","- C82 H78 Br2 N4 O6 -","2","1","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0653","0.0455","","","0.0891","0.0956","","","","","","1.002","","","","has coordinates","196186","2020-10-21","18:00:00",""
"1545659","10.429","0.006","8.033","0.004","13.269","0.007","90","","95.243","0.01","90","","1107","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O -","- C28 H32 O -","- C56 H64 O2 -","2","1","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.072","0.043","","","0.0873","0.1011","","","","","","1.02","","","","has coordinates","196180","2020-10-21","18:00:00",""
"1545660","6.04388","0.00008","22.18157","0.00015","13.72525","0.00015","90","","92.9646","0.0012","90","","1837.58","0.03","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H44 Br N O6 S Si -","- C32 H36 Br N O6 S Si -","- C64 H72 Br2 N2 O12 S2 Si2 -","2","1","","Milde, Bastian; Pawliczek, Martin; Jones, Peter G.; Werz, Daniel B.","Enantioselective Total Synthesis of (+)-Lysergol: A Formal anti-Carbopalladation/Heck Cascade as the Key Step","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00675","","","1.54184","CuKα","","0.0374","0.0365","","","0.0956","0.0964","","","","","","1.016","","","","has coordinates","194627","2020-10-21","18:00:00",""
"1545696","13.2991","0.0006","20.2762","0.0012","15.0236","0.0007","90","","91.184","0.005","90","","4050.3","0.4","200","0.14","200","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15.75 Br2 Cl O6.38 -","- C20 H15.75 Br2 Cl O6.375 -","- C160 H126 Br16 Cl8 O51 -","8","4","","Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana","Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00466K","","x-ray","0.71073","MoKα","","0.1335","0.0759","","","0.1755","0.2089","","","","","","1.018","","","","has coordinates,has disorder","195259","2020-10-21","18:00:00",""
"1545712","10.2886","0.0002","15.0565","0.0003","14.7817","0.0003","90","","91.156","0.001","90","","2289.37","0.08","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H20 B Cl3 F3 N3 O Te -","- C18 H20 B Cl3 F3 N3 O Te -","- C72 H80 B4 Cl12 F12 N12 O4 Te4 -","4","2","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0258","0.0245","","","0.0597","0.0605","","","","","","1.028","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545713","7.2898","0.0008","13.3035","0.0013","11.561","0.0012","90","","104.61","0.002","90","","1084.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H18 B F3 N2 O2 Te2 -","- C20 H18 B F3 N2 O2 Te2 -","- C40 H36 B2 F6 N4 O4 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0439","0.0335","","","0.0561","0.0583","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545714","5.2322","0.0003","10.0668","0.0005","10.7671","0.0005","90","","102.13","0.001","90","","554.46","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C24 H24 N4 O2 S2 -","2","1","","Tan, Wei; Wei, Jianpeng; Jiang, Xuefeng","Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction.","Organic letters","2017","19","8","2166","2169","10.1021/acs.orglett.7b00819","","","0.71073","MoKα","","0.0233","0.023","","","0.0611","0.0615","","","","","","1.052","","","","has coordinates","196173","2020-10-21","18:00:00",""
"1545721","8.3894","0.0004","14.6187","0.0008","10.2645","0.0004","90","","97.613","0.004","90","","1247.76","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H26 O10 -","- C31 H26 O10 -","- C62 H52 O20 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0442","0.0371","","","0.0917","0.0976","","","","","","1.033","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545724","9.6238","0.0013","4.2326","0.0006","13.66","0.002","90","","98.795","0.005","90","","549.88","0.13","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C28 H16 S2 Te2 -","2","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0385","0.0325","","","0.0669","0.0692","","","","","","1.058","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545738","9.68785","0.00012","6.62844","0.00009","15.2024","0.0002","90","","103.889","0.0013","90","","947.69","0.02","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0705","0.0715","","","","","","1.062","","","","has coordinates","197452","2020-10-21","18:00:00",""
"1545740","10.406","0.002","7.8092","0.0014","26.717","0.005","90","","92.9","0.02","90","","2168.3","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 F8 I3 N8 -","- C40 H43 F8 I3 N8 -","- C80 H86 F16 I6 N16 -","2","1","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0449","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545754","8.6396","0.0003","16.1754","0.0006","10.6697","0.0004","90","","107.772","0.0013","90","","1419.92","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O8 -","- C30 H42 O8 -","- C60 H84 O16 -","2","1","","Zhao, Shou; Abu-Omar, Mahdi M.","Renewable Thermoplastics Based on Lignin-Derived Polyphenols","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00064","","","0.71073","MoKα","","0.0451","0.0391","","","0.0796","0.082","","","","","","1.142","","","","has coordinates","195520","2020-10-21","18:00:00",""
"1545775","8.429","0.0003","10.7662","0.0003","11.6292","0.0003","90","","94.266","0.002","90","","1052.41","0.05","193","2","193","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Au I P -","- C22 H25 Au I P -","- C44 H50 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","x-ray","1.54178","CuKα","","0.0451","0.0406","","","0.1109","0.1155","","","","","","0.934","","","","has coordinates","195609","2020-10-21","18:00:00",""
"1545782","10.006","0.001","6.2513","0.0006","10.8417","0.0012","90","","93.336","0.003","90","","677","0.12","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O3 -","- C12 H18 Br N O3 -","- C24 H36 Br2 N2 O6 -","2","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.0977","0.056","","","0.1375","0.1814","","","","","","1.07","","","","has coordinates","197492","2020-10-21","18:00:00",""
"1545860","32.8072","0.0002","14.9123","0.0001","34.9062","0.0002","90","","105.822","0.001","90","","16430.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C285 H317 I24 N48 O15 Zn12 -","- C285 H317 I24 N48 O15 Zn12 -","- C570 H634 I48 N96 O30 Zn24 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0769","0.0781","","","","","","1.02","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545873","10.8556","0.0016","8.4638","0.0013","17.443","0.003","90","","96.664","0.004","90","","1591.8","0.4","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N5 O5 S4 -","- C29 H35 N5 O5 S4 -","- C58 H70 N10 O10 S8 -","2","1","","Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M.","Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00271","","","0.71073","MoKα","","0.0944","0.0683","","","0.173","0.1928","","","","","","1.082","","","","has coordinates,has disorder","195759","2020-10-21","18:00:00",""
"1545884","12.542","0.004","5.445","0.0017","15.507","0.004","90","","94.578","0.006","90","","1055.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0511","0.0442","","","0.1088","0.1131","","","","","","1.034","","","","has coordinates","197489","2020-10-21","18:00:00",""
"1545885","8.0035","0.0007","9.1507","0.0008","9.4828","0.0008","90","","98.897","0.003","90","","686.14","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","1.54178","CuKα","","0.0414","0.0403","","","0.0988","0.0999","","","","","","1.05","","","","has coordinates,has disorder","195824","2020-10-21","18:00:00",""
"1545900","5.4583","0.0003","10.396","0.0006","19.0896","0.001","90","","98.026","0.006","90","","1072.62","0.1","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","60","9","3606","3617","10.1021/acs.jmedchem.7b00254","","x-ray","0.71073","MoKα","","0.0727","0.0509","","","0.1075","0.1217","","","","","","1.054","","","","has coordinates","197450","2020-10-21","18:00:00",""
"1545902","10.0156","0.0008","6.613","0.0005","15.9543","0.0011","90","","91.121","0.007","90","","1056.5","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00253","","x-ray","0.71073","MoKα","","0.0679","0.0484","","","0.1005","0.1124","","","","","","1.076","","","","has coordinates","195874","2020-10-21","18:00:00",""
"1545906","13.3441","0.0006","6.3849","0.0002","16.136","0.0007","90","","95.366","0.002","90","","1368.77","0.1","100","2","99.98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Br N2 O5 S2 -","- C28 H31 Br N2 O5 S2 -","- C56 H62 Br2 N4 O10 S4 -","2","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0302","0.0249","","","0.0543","0.0554","","","","","","0.983","","","","has coordinates","197486","2020-10-21","18:00:00",""
"1545923","12.5069","0.0016","23.641","0.003","25.417","0.003","90","","98.788","0.002","90","","7427","1.6","296","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H60 O11 -","- C37 H56.75 O11 -","- C296 H454 O88 -","8","4","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","0.71073","MoKα","","0.1501","0.0761","","","0.1596","0.1886","","","","","","0.977","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545924","9.7656","0.0001","6.1628","0.0001","15.4441","0.0002","90","","101.53","0.001","90","","910.72","0.02","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata.","Journal of natural products","2017","80","4","1117","1124","10.1021/acs.jnatprod.7b00035","","","1.54178","CuKα","","0.0364","0.0357","","","0.0989","0.0995","","","","","","1.077","","","","has coordinates","196013","2020-10-21","18:00:00",""
"1545939","8.69815","0.00008","8.99657","0.00008","11.2368","0.00011","90","","99.4584","0.0009","90","","867.365","0.014","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian","Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton.","Organic letters","2017","19","7","1804","1807","10.1021/acs.orglett.7b00570","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0886","0.0915","","","","","","1.072","","","","has coordinates","196073","2020-10-21","18:00:00",""
"1545944","10.013","0.003","5.4697","0.0017","11.876","0.004","90","","96.71","0.03","90","","646","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 S -","- C14 H14 N4 S -","- C28 H28 N8 S2 -","2","1","","Haidasz, Evan A.; Pratt, Derek A.","Diazaphenoxazines and Diazaphenothiazines: Synthesis of the ""Correct"" Isomers Reveals They Are Highly Reactive Radical-Trapping Antioxidants.","Organic letters","2017","19","7","1854","1857","10.1021/acs.orglett.7b00615","","","0.71073","MoKα","","0.0717","0.0432","","","0.0968","0.1086","","","","","","1.044","","","","has coordinates","196078","2020-10-21","18:00:00",""
"1545947","8.2596","0.0002","7.268","0.0002","13.7048","0.0005","90","","102.076","0.0015","90","","804.5","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","0.71073","MoKα","","0.041","0.0361","","0.0915","0.0883","0.0915","","","","","","0.9932","","","","has coordinates","196080","2020-10-21","18:00:00",""
"1545955","5.521","0.003","17.785","0.008","9.852","0.005","90","","91.837","0.009","90","","966.9","0.8","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C44 H44 O12 -","2","1","","Zhou, Weiping; Ni, Chunjie; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng","Enantioselective Synthesis of 4H-Pyran via Amine-Catalyzed Formal (3 + 3) Annulation of δ-Acetoxy Allenoate.","Organic letters","2017","19","7","1890","1893","10.1021/acs.orglett.7b00658","","","0.71073","MoKα","","0.1601","0.0592","","","0.1217","0.1545","","","","","","0.927","","","","has coordinates","196088","2020-10-21","18:00:00",""
"1545964","9.4676","0.0005","15.2732","0.0007","12.2821","0.0006","90","","96.493","0.002","90","","1764.61","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C64 H68 O20 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0549","0.0433","","","0.1153","0.1218","","","","","","1.007","","","","has coordinates","196097","2020-10-21","18:00:00",""
"1545966","10.666","0.009","6.294","0.005","11.33","0.009","90","","109.47","0.011","90","","717.1","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0508","0.0432","","","0.1304","0.1399","","","","","","1.076","","","","has coordinates","196099","2020-10-21","18:00:00",""
"1545998","13.869","0.009","9.736","0.008","14.969","0.011","90","","105.103","0.018","90","","1951","3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","liux-1","","- C40 H36 N3 O14 -","- C40 H36 N3 O14 -","- C80 H72 N6 O28 -","2","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.1221","0.0992","","","0.2557","0.3148","","","","","","1.023","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1546005","9.4639","0.0003","6.1799","0.0002","13.1692","0.0005","90","","90.131","0.004","90","","770.21","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0601","0.0582","","","0.1493","0.1522","","","","","","1.09","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1546022","12.578","0.003","22.365","0.005","12.644","0.003","90","","107.727","0.003","90","","3388","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C144 H120 Br8 N16 O32 -","8","4","","Yang, Yu; Ren, Hong-Xia; Chen, Feng; Zhang, Zheng-Bing; Zou, Ying; Chen, Chao; Song, Xiang-Jia; Tian, Fang; Peng, Lin; Wang, Li-Xin","Organocatalytic Asymmetric Annulation between Hydroxymaleimides and Nitrosoarenes: Stereoselective Preparation of Chiral Quaternary N-Hydroxyindolines","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00893","","","0.71073","MoKα","","0.0686","0.0574","","","0.1402","0.1452","","","","","","1.028","","","","has coordinates","196661","2020-10-21","18:00:00",""
"1546041","11.6963","0.0015","7.8375","0.001","18.213","0.002","90","","96.443","0.002","90","","1659","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C72 H72 Cl4 N12 O4 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0693","0.0464","","","0.0871","0.0972","","","","","","1.014","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546042","11.1006","0.0017","6.9951","0.001","30.827","0.005","90","","94.93","0.003","90","","2384.9","0.6","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 B2 Br O4 -","- C22 H31 B2 Br O4 -","- C88 H124 B8 Br4 O16 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0995","0.0494","","","0.0935","0.1093","","","","","","0.944","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546048","3.97954","0.00016","15.2907","0.0003","5.8583","0.0002","90","","94.237","0.005","90","","355.5","0.02","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.410639","","","","","","","","","","11.96","1.49","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546049","13.5539","0.0008","5.4096","0.0003","15.0157","0.0009","90","","108.421","0.006","90","","1044.56","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chlorophenylalanine","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","1.54184","CuKα","","0.0726","0.0685","","","0.164","0.1687","","","","","","1.076","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546050","13.1","0.003","5.4019","0.0012","14.423","0.004","90","","100.712","0.008","90","","1002.9","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-difluoro-phenylalanine","","- C9 H11 F2 N O3 -","- C9 H11 F2 N O3 -","- C36 H44 F8 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0831","0.0452","","","0.0787","0.0894","","","","","","1.03","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546051","6.3036","0.0004","5.3042","0.0003","15.9161","0.0009","90","","97.947","0.003","90","","527.05","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromophenylalanine","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C18 H24 Br2 N2 O6 -","2","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0206","0.0183","","","0.0388","0.0392","","","","","","1","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546052","13.3028","0.0014","5.4628","0.0006","14.0151","0.0015","90","","104.048","0.005","90","","988.02","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-fluorophenylalanine","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0366","0.0324","","","0.0819","0.0844","","","","","","1.031","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546094","9.8947","0.0003","8.25","0.0003","12.8004","0.0004","90","","110.44","0.001","90","","979.12","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Transfer of Chirality in the Rhodium-Catalyzed Chemoselective and Regioselective Allylic Alkylation of Hydroxyarenes with Vinyl Aziridines.","Organic letters","2017","19","11","2897","2900","10.1021/acs.orglett.7b01136","","","0.71073","MoKα","","0.0415","0.0347","","","0.0861","0.0906","","","","","","1.018","","","","has coordinates","197499","2020-10-21","18:00:00",""
"1546095","9.9619","0.0004","24.0179","0.001","15.5925","0.0006","90","","101.3","0.0016","90","","3658.4","0.3","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H49 N O4 -","- C42 H49 N O4 -","- C168 H196 N4 O16 -","4","2","","Tlustý, Martin; Slavík, Petr; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Inherently Chiral Upper-Rim-Bridged Calix[4]arenes Possessing a Seven Membered Ring.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01170","","","1.54178","CuKα","","0.0384","0.0375","","0.0896","0.0886","0.0896","","","","","","0.8561","","","","has coordinates,has disorder","196908","2020-10-21","18:00:00",""
"1546096","8.3201","0.0002","7.3604","0.0002","14.5839","0.0003","90","","105.938","0.002","90","","858.78","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Kumar, Mukesh; Chauhan, Pankaj; Valkonen, Arto; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Functionalized Tricyclic Chromanes via an Organocatalytic Triple Domino Reaction.","Organic letters","2017","19","11","3025","3028","10.1021/acs.orglett.7b01322","","","1.54184","CuKα","","0.0327","0.031","","","0.075","0.0766","","","","","","1.053","","","","has coordinates","197504","2020-10-21","18:00:00",""
"1546110","16.42","0.002","5.9044","0.0008","25.212","0.003","90","","90.487","0.004","90","","2444.2","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","2","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2885","0.2542","","","0.5938","0.6117","","","","","","2.629","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546111","8.48","0.007","5.698","0.004","15.656","0.013","90","","93.2","0.05","90","","755.3","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2549","0.1803","","","0.4062","0.4474","","","","","","1.213","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546164","10.927","0.002","5.4369","0.0014","13.378","0.002","90","","100.686","0.004","90","","781","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C34 H48 O6 -","2","1","","Liu, Yun-Ting; Chen, Ji-Qiang; Li, Lin-Ping; Shao, Xin-Yang; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Tetrasubstituted Cyclic Enones to Chiral Cycloalkanols with Three Contiguous Stereocenters.","Organic letters","2017","19","12","3231","3234","10.1021/acs.orglett.7b01343","","","1.54187","CuKα","","0.0325","0.0304","","","0.0861","0.0909","","","","","","1.081","","","","has coordinates","198428","2020-10-21","18:00:00",""
"1546194","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone and Asymmetric Synthesis of Labda-7,13-(E)-dien-15-ol.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01287","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546202","6.209","0.0002","7.0974","0.0001","19.3995","0.0006","90","","90.588","0.002","90","","854.85","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0332","0.0326","","","0.0884","0.0886","","","","","","1.072","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546203","5.9878","0.0003","7.3276","0.0002","18.7222","0.0007","90","","97.466","0.003","90","","814.49","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0366","0.0314","","","0.0803","0.0958","","","","","","1.173","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546204","6.2011","0.0004","7.0991","0.0004","19.423","0.0013","90","","90.899","0.005","90","","854.94","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0748","0.0641","","","0.1592","0.1664","","","","","","0.991","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546205","5.9893","0.0001","7.3207","0.0001","18.7356","0.0004","90","","97.532","0.002","90","","814.39","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.024","0.0239","","","0.0656","0.0657","","","","","","1.059","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546206","24.3633","0.0004","9.12727","0.00013","31.0898","0.0006","90","","109.128","0.002","90","","6531.8","0.2","99.9","0.2","100","80","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C276 H336 O84 -","12","6","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0464","0.0417","","","0.1069","0.1107","","","","","","1.031","","","","has coordinates,has disorder","197318","2020-10-21","18:00:00",""
"1546212","8.0393","0.0002","8.6325","0.0003","13.2604","0.0004","90","","90.9524","0.0018","90","","920.13","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C42 H46 N6 O6 -","2","1","","Tooriyama, Shino; Mimori, Yuji; Wu, Yuqiu; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Pentacyclic Indole Alkaloid Andranginine and Absolute Configuration of Natural Product Isolated from Kopsia arborea.","Organic letters","2017","19","10","2722","2725","10.1021/acs.orglett.7b01076","","","1.54187","CuKα","","0.0671","0.0441","","","0.109","0.1316","","","","","","1.056","","","","has coordinates","197357","2020-10-21","18:00:00",""
"1546217","6.2656","0.0005","15.4462","0.0011","8.1799","0.0006","90","","94.209","0.003","90","","789.51","0.1","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C42 H30 F2 O4 -","2","1","","Zhang, Zong-Feng; Zhu, Dong-Xing; Chen, Wen-Wen; Xu, Bin; Xu, Ming-Hua","Enantioselective Synthesis of gem-Diaryl Benzofuran-3(2H)-ones via One-Pot Asymmetric Rhodium/Palladium Relay Catalysis.","Organic letters","2017","19","10","2726","2729","10.1021/acs.orglett.7b01070","","","1.54178","CuKα","","0.0311","0.0306","","","0.0828","0.0835","","","","","","1.037","","","","has coordinates","197362","2020-10-21","18:00:00",""
"1546222","9.4386","0.0011","11.6291","0.0013","14.6798","0.0017","90","","93.296","0.003","90","","1608.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","2","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0885","0.0458","","","0.0861","0.1008","","","","","","0.964","","","","has coordinates,has disorder","197367","2020-10-21","18:00:00",""
"1546224","9.717","0.008","11.448","0.008","10.196","0.008","90","","112.48","0.006","90","","1048","1.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C50 H46 N2 O4 S2 -","2","1","","Najib, Atifah; Hirano, Koji; Miura, Masahiro","Palladium-Catalyzed Asymmetric Benzylic Substitution of Secondary Benzyl Carbonates with Nitrogen and Oxygen Nucleophiles.","Organic letters","2017","19","9","2438","2441","10.1021/acs.orglett.7b01022","","","0.71075","MoKα","","0.0378","0.0351","","","0.0855","0.0877","","","","","","1.041","","","","has coordinates","197369","2020-10-21","18:00:00",""
"1546243","16.975","0.008","15.547","0.006","24.68","0.012","90","","101.91","0.03","90","","6373","5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61.5 H59 Al Cl8 N4 Ni -","- C61.5 H59 Al Cl8 N4 Ni -","- C246 H236 Al4 Cl32 N16 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1465","0.0768","","","0.182","0.2091","","","","","","0.924","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546245","12.652","0.0001","23.843","0.0001","12.739","0.0002","90","","100.858","0.001","90","","3774.07","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C137 H166 Al4 Cl19 N8 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.6771","synchrotron","","0.0899","0.0635","","","0.1657","0.1841","","","","","","1.033","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546250","13.827","0.0003","24.6484","0.0005","14.3945","0.0004","90","","99.042","0.003","90","","4844.9","0.2","140","2","140","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H152 K N2 O22 S3 Si4 U -","- C74 H152 K N2 O22 S3 Si4 U -","- C148 H304 K2 N4 O44 S6 Si8 U2 -","2","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0722","0.0627","","","0.1516","0.1607","","","","","","1.052","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546293","8.1504","0.0004","14.5588","0.0006","10.2533","0.0005","90","","101.286","0.003","90","","1193.13","0.1","100","2","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl2 N2 Ni O P2 -","- C20 H34 Cl2 N2 Ni O P2 -","- C40 H68 Cl4 N4 Ni2 O2 P4 -","2","1","","Desrosiers, Jean-Nicolas; Wen, Jialin; Tcyrulnikov, Sergei; Biswas, Soumik; Qu, Bo; Hie, Liana; Kurouski, Dmitry; Wu, Ling; Grinberg, Nelu; Haddad, Nizar; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Garg, Neil K.; Zhang, Xumu; Kozlowski, Marisa C.; Senanayake, Chris H.","Enantioselective Nickel-Catalyzed Mizoroki‒Heck Cyclizations To Generate Quaternary Stereocenters","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01054","","","1.54184","CuKα","","0.0207","0.0202","","","0.0484","0.0486","","","","","","1.023","","","","has coordinates","197744","2020-10-21","18:00:00",""
"1546324","12.556","0.002","13.032","0.001","12.635","0.002","90","","96.73","0.01","90","","2053.2","0.5","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H36 F5 N Te -","- C16 F5 N Te -","- C64 F20 N4 Te4 -","4","2","","Kokunov, Yu. V.; Gorbunova, Yu. E.; Afanasjev, V. M.; Petrov, V. N.; Dadidovich, R. L.; Buslaev, Yu. A.","Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')","Journal of Fluorine Chemistry","1990","50","","285","298","10.1016/S0022-1139(00)84994-5","","x-ray","0.71069","MoKα","","","0.043","","","","","","","","","","","","","","has coordinates","197848","2020-10-21","18:00:00",""
"1546355","14.885","0.006","20.472","0.007","18.004","0.007","90","","91.102","0.013","90","","5485","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H82 N8 O13 -","- C47 H82 N8 O13 -","- C188 H328 N32 O52 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.4006","0.114","","","0.2096","0.3162","","","","","","0.919","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546356","9.289","0.004","20.701","0.008","10.602","0.006","90","","115.928","0.01","90","","1833.5","1.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C56 H104 N8 O24 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.2068","0.0713","","","0.1463","0.2022","","","","","","0.91","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546363","6.823","0.0019","7.936","0.002","14.34","0.004","90","","97.758","0.007","90","","769.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 -","- C19 H22 N2 -","- C38 H44 N4 -","2","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0767","0.0551","","","0.1155","0.1263","","","","","","1.036","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546374","10.1299","0.001","8.6369","0.0008","15.8434","0.0015","90","","93.226","0.002","90","","1384","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 Br2 O3 -","- C31 H28 Br2 O3 -","- C62 H56 Br4 O6 -","2","1","","Kotani, Shunsuke; Kai, Kosuke; Sugiura, Masaharu; Nakajima, Makoto","Sequential Catalysis of Phosphine Oxide for Stereoselective Synthesis of Stereopentads.","Organic letters","2017","19","13","3672","3675","10.1021/acs.orglett.7b01719","","","0.71075","MoKα","","0.1028","0.0593","","","0.1763","0.2072","","","","","","1.119","","","","has coordinates","200734","2020-10-21","18:00:00",""
"1546419","12.428","0.004","5.8759","0.0018","21.526","0.006","90","","99.276","0.008","90","","1551.4","0.8","296","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H34 Br N O5 -","- C34 H34 Br N O5 -","- C68 H68 Br2 N2 O10 -","2","1","","Ni, Chunjie; Chen, Jiangfei; Zhang, Yuwen; Hou, Yading; Wang, Dong; Tong, Xiaofeng; Zhu, Shou-Fei; Zhou, Qi-Lin","Phosphine-Catalyzed Asymmetric (3 + 2) Annulations of δ-Acetoxy Allenoates with β-Carbonyl Amides: Enantioselective Synthesis of Spirocyclic β-Keto γ-Lactams.","Organic letters","2017","19","13","3668","3671","10.1021/acs.orglett.7b01717","","","0.71073","MoKα","","0.192","0.0638","","","0.1619","0.2236","","","","","","0.894","","","","has coordinates","200740","2020-10-21","18:00:00",""
"1546439","11.1034","0.0008","6.1744","0.0004","14.0512","0.001","90","","96.477","0.003","90","","957.16","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 -","- C20 H20 N2 O7 -","- C40 H40 N4 O14 -","2","1","","Boissarie, Patrick; Bélanger, Guillaume","Short Approach toward the Nonracemic A,B,E Tricyclic Core of Calyciphylline B-Type Alkaloids.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01566","","x-ray","1.54186","CuKα","","0.063","0.0486","","","0.1235","0.1365","","","","","","0.958","","","","has coordinates","198320","2020-10-21","18:00:00",""
"1546442","11.632","0.002","10.796","0.002","20.144","0.004","90","","92.25","0.03","90","","2527.7","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O4 P -","- C23 H35 N4 O4 P -","- C92 H140 N16 O16 P4 -","4","2","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0457","0.0411","","","0.1068","0.1101","","","","","","1.045","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546459","6.21152","0.00011","5.70278","0.00014","19.944","0.0003","90","","92.5859","0.0016","90","","705.76","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-3-hydroxy-5-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4-nitrocyclohexan-1-one","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Varró, Gábor; Hegedűs, László; Simon, András; Balogh, Attila; Grün, Alajos; Leveles, Ibolya; Vértessy, Beáta G; Kádas, István","The First Enantioselective Total Synthesis of (-)-trans-Dihydronarciclasine.","Journal of natural products","2017","80","6","1909","1917","10.1021/acs.jnatprod.7b00208","","","1.54184","CuKα","","0.0436","0.0381","","","0.1095","0.116","","","","","","0.917","","","","has coordinates","198374","2020-10-21","18:00:00",""
"1546465","9.2873","0.0004","11.4628","0.0004","9.2961","0.0004","90","","98.91","0.001","90","","977.71","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O6 -","- C20 H20 Br N O6 -","- C40 H40 Br2 N2 O12 -","2","1","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.0331","0.029","","","0.0705","0.0725","","","","","","1.051","","","","has coordinates","198405","2020-10-21","18:00:00",""
"1546470","11.113","0.004","4.9271","0.0018","13.773","0.005","90","","101.305","0.012","90","","739.5","0.5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 O -","- C24 H14 O -","- C48 H28 O2 -","2","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","","1.54187","CuKα","","0.1561","0.1172","","","0.3206","0.4226","","","","","","1.395","","","","has coordinates","198410","2020-10-21","18:00:00",""
"1546472","9.4913","0.0006","16.766","0.0011","10.7446","0.0007","90","","109.854","0.007","90","","1608.17","0.19","294.78","0.1","294.78","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Cl2 N O4 S -","- C32 H37 Cl2 N O4 S -","- C64 H74 Cl4 N2 O8 S2 -","2","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.71073","MoKα","","0.069","0.0531","","","0.1188","0.1352","","","","","","1.052","","","","has coordinates,has disorder","198412","2020-10-21","18:00:00",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546508","10.0992","0.0003","20.5006","0.0007","13.57","0.0005","90","","90.2639","0.0005","90","","2809.5","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N6 Ni O3 -","- C31 H32 N6 Ni O3 -","- C124 H128 N24 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","0.71073","MoKα","","0.0478","0.0364","","","0.0759","0.081","","","","","","1.032","","","","has coordinates","200673","2020-10-21","18:00:00",""
"1546533","26.9085","0.0008","36.123","0.0011","41.16","0.003","90","","92.306","0.004","90","","39976","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C498 H722 N171 O97 P16 S -","- C498 H722 N171 O97 P16 S -","- C996 H1444 N342 O194 P32 S2 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.2948","0.1303","","","0.3123","0.4534","","","","","","0.941","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546542","8.5148","0.0006","23.2579","0.0016","12.0766","0.0008","90","","108.779","0.002","90","","2264.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H60 Nb O2 P3 Si Sn -","- C43 H60 Nb O2 P3 Si Sn -","- C86 H120 Nb2 O4 P6 Si2 Sn2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0782","0.0703","","","0.1707","0.1737","","","","","","1.233","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546543","8.418","0.0003","22.9239","0.0007","11.8653","0.0005","90","","107.548","0.0016","90","","2183.14","0.14","123","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","DH-34-2","","- C40 H60 Ge Nb O3 P3 Si -","- C40 H60 Ge Nb O3 P3 Si -","- C80 H120 Ge2 Nb2 O6 P6 Si2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0305","0.0283","","","0.0666","0.0675","","","","","","1.027","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546560","11.2281","0.0005","9.6521","0.0005","24.3706","0.0011","90","","101.793","0.002","90","","2585.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H26 O7 -","- C29 H26 O7 -","- C116 H104 O28 -","4","2","","Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin","Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01936","","","1.54178","CuKα","","0.044","0.0404","","","0.0984","0.1008","","","","","","1.038","","","","has coordinates","198865","2020-10-21","18:00:00",""
"1546561","5.4465","0.0003","12.4107","0.0007","14.8394","0.0009","90","","92.621","0.002","90","","1002.02","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 O5 S -","- C24 H20 O5 S -","- C48 H40 O10 S2 -","2","1","","Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin","Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01936","","","0.71073","MoKα","","0.0479","0.0358","","","0.087","0.092","","","","","","1.059","","","","has coordinates","198866","2020-10-21","18:00:00",""
"1546600","8.4373","0.0003","6.1045","0.0002","22.251","0.0008","90","","92.183","0.002","90","","1145.22","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O4 S2 -","- C23 H27 N3 O4 S2 -","- C46 H54 N6 O8 S4 -","2","1","","Fu, Liangbing; Davies, Huw M. L.","Scope of the Reactions of Indolyl- and Pyrrolyl-Tethered N-Sulfonyl-1,2,3-triazoles: Rhodium(II)-Catalyzed Synthesis of Indole- and Pyrrole-Fused Polycyclic Compounds.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00180","","","1.54178","CuKα","","0.0385","0.0378","","","0.0987","0.0994","","","","","","1.02","","","","has coordinates,has disorder","198990","2020-10-21","18:00:00",""
"1546604","10.0327","0.0002","8.5099","0.0002","13.3176","0.0003","90","","98.664","0.001","90","","1124.05","0.04","205","","205","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C50 H80 O4 -","2","1","","Shao, Jie; Chen, Qing-Wen; Lv, Hua-Jun; He, Juan; Liu, Zhi-Feng; Lu, Yan-Na; Liu, Hai-Li; Wang, Guo-Dong; Wang, Yong","(+)-Thalianatriene and (-)-Retigeranin B Catalyzed by Sesterterpene Synthases from Arabidopsis thaliana.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00586","","","1.54178","CuKα","","0.031","0.0302","","","0.0809","0.0816","","","","","","1.029","","","","has coordinates","198994","2020-10-21","18:00:00",""
"1546618","13.2053","0.0005","5.3447","0.0002","15.9599","0.0007","90","","93.674","0.001","90","","1124.11","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Xu, Xue; Wang, Yong; Cui, Xin; Wojtas, Lukasz; Zhang, Peter","Metalloradical Activation of α-Formyldiazoacetates for Catalytic Asymmetric Radical Cyclopropanation of Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC00658F","","","1.54178","CuKα","","0.0267","0.0258","","","0.0595","0.0604","","","","","","1.07","","","","has coordinates","199006","2020-10-21","18:00:00",""
"1546622","7.2451","0.00014","9.38179","0.00017","10.91846","0.00019","90","","90.4932","0.0016","90","","742.12","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N3 O5 -","- C16 H13 N3 O5 -","- C32 H26 N6 O10 -","2","1","","Cheng, Li-Jie; Brown, Alexander P., N.; Cordier, Christopher J.","Enantioselective Propargylic [1,3]-Rearrangements: Copper-Catalyzed O-to-N Migrations Toward C‒N Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC01042G","","","1.54184","CuKα","","0.0341","0.0293","","","0.0686","0.0727","","","","","","1.093","","","","has coordinates","199009","2020-10-21","18:00:00",""
"1546623","21.9182","0.0009","6.1752","0.0003","14.8927","0.0006","90","","100.846","0.004","90","","1979.71","0.15","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C76 H112 O12 Si4 -","4","2","","Zhang, Yu; Liao, Yuting; Liu, Xiaohua; Xu, Xi; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Hydroxylative Dearomatization of 2-Naphthols: Synthesis of Lacinilene Derivatives","Chem. Sci.","2017","","","","","10.1039/C7SC02809A","","x-ray","1.54184","CuKα","","0.0671","0.0608","","","0.1649","0.1857","","","","","","1.074","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546624","12.778","0.011","5.158","0.004","14.363","0.012","90","","98.059","0.013","90","","937.3","1.3","93","2","93","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.098","0.0703","","","0.1237","0.1354","","","","","","1.011","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546636","9.0503","0.0007","5.9762","0.0005","16.3508","0.0012","90","","102.732","0.001","90","","862.61","0.12","103","","103","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-[(R)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","ZQ4021","Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","6-[(R)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","IUCrData","2017","2","7","x170979","","10.1107/S2414314617009798","","","0.71073","MoKα","","0.0321","0.0307","","","0.0726","0.0735","","","","","","1.035","","","","has coordinates,has Fobs","199230","2020-10-21","18:00:00",""
"1546637","8.7453","0.0013","8.6888","0.001","9.2511","0.0011","90","","95.936","0.008","90","","699.19","0.16","92","2","92","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","LH4018","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","IUCrData","2017","2","4","x170500","","10.1107/S2414314617005004","","","0.71073","MoKα","","0.0503","0.0449","","","0.0948","0.0981","","","","","","1.088","","","","has coordinates,has Fobs","199231","2020-10-21","18:00:00",""
"1546663","9.968","0.004","15.529","0.006","10.119","0.004","90","","102.558","0.009","90","","1528.9","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(E)-N-(1H-Pyrrol-2-ylmethylidene)-2-{[(E)-(1H-pyrrol-2-ylmethylidene)amino]methyl}aniline","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","2","SU4142","Raghuvarman, B.; Gayathri, Jayagopi; Selvan, Kumar Sangeetha; Sugumar, P.; Ponnuswamy, M. N.","(E)-N-(1H-Pyrrol-2-ylmethylidene)-2-{[(E)-(1H-pyrrol-2-ylmethylidene)amino]methyl}aniline","IUCrData","2017","2","4","x170540","","10.1107/S2414314617005405","","","0.71073","MoKα","","0.0905","0.0433","","","0.0759","0.0915","","","","","","0.988","","","","has coordinates,has Fobs","199257","2020-10-21","18:00:00",""
"1546665","9.4093","0.0003","10.5822","0.0004","12.2844","0.0005","90","","107.64","0.001","90","","1165.66","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-3-(tert-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C8 H15 N O5 S -","- C8 H15 N O5 S -","- C32 H60 N4 O20 S4 -","4","2","HB4152","Laus, Gerhard; Wurst, Klaus; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","(R)-3-(tert-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","IUCrData","2017","2","6","x170869","","10.1107/S2414314617008690","","","0.71073","MoKα","","0.0293","0.0271","","","0.072","0.0732","","","","","","1.043","","","","has coordinates,has Fobs","199259","2020-10-21","18:00:00",""
"1546672","3.8872","0.0001","6.8386","0.0003","13.6279","0.0005","90","","93.303","0.002","90","","361.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-methylpyrazine-2-carboxylate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C14 H16 N4 O4 -","2","1","SJ4126","Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M.","Methyl 5-methylpyrazine-2-carboxylate","IUCrData","2017","2","7","x170997","","10.1107/S241431461700997X","","","0.71073","MoKα","","0.0303","0.029","","","0.0817","0.0827","","","","","","1.137","","","","has coordinates,has Fobs","199266","2020-10-21","18:00:00",""
"1546677","11.1688","0.0002","9.0576","0.0002","11.9237","0.0002","90","","106.77","0.001","90","","1154.93","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Fluoro-1-[(1-{[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1H-indole-2,3-dione","","- C23 H25 F N4 O7 -","- C23 H25 F N4 O7 -","- C46 H50 F2 N8 O14 -","2","1","HB4145","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; El Hadrami, El Mestafa; Essassi, El Mokhtar","5-Fluoro-1-[(1-{[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1H-indole-2,3-dione","IUCrData","2017","2","5","x170739","","10.1107/S2414314617007398","","","1.54178","CuKα","","0.0325","0.0304","","","0.0723","0.0739","","","","","","1.071","","","","has coordinates,has Fobs","199271","2020-10-21","18:00:00",""
"1546690","8.9303","0.0015","15.572","0.003","9.4824","0.0016","90","","117.32","0.008","90","","1171.6","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Di-tert-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C25 H36 N2 O -","- C25 H36 N2 O -","- C50 H72 N4 O2 -","2","1","VM4022","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-tert-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","IUCrData","2017","2","4","x170572","","10.1107/S2414314617005727","","","0.71073","MoKα","","0.083","0.0619","","","0.1678","0.1893","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199284","2020-10-21","18:00:00",""
"1546729","14.5077","0.001","7.9149","0.0004","14.8297","0.0008","90","","106.803","0.007","90","","1630.15","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R,7S,8R,9R)-N-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","","- C17 H29 N O3 -","- C17 H29 N O3 -","- C68 H116 N4 O12 -","4","2","","Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","(1R,2R,7S,8R,9R)-N-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","IUCrData","2017","2","7","x170970","","10.1107/S2414314617009701","","","0.71073","MoKα","","0.0938","0.0552","","","0.1022","0.1145","","","","","","0.99","","","","has coordinates,has Fobs","199325","2020-10-21","18:00:00",""
"1546738","14.1074","0.0002","5.8267","0.0001","17.4282","0.0002","90","","112.703","0.002","90","","1321.59","0.04","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0316","0.0312","","","0.0894","0.0899","","","","","","1.04","","","","has coordinates","200675","2020-10-21","18:00:00",""
"1546749","10.7598","0.0006","17.9842","0.0009","14.3349","0.0008","90","","99.782","0.004","90","","2733.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H59 B Fe N2 O P2 -","- C71 H59 B Fe N2 O P2 -","- C142 H118 B2 Fe2 N4 O2 P4 -","2","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.1438","0.0752","","","0.1616","0.1978","","","","","","1.081","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546752","8.473","0.005","10.542","0.005","11.891","0.005","90","0.005","106.339","0.005","90","0.005","1019.2","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 Br O4 -","- C23 H21 Br O4 -","- C46 H42 Br2 O8 -","2","1","","Ray Choudhury, Abhijnan; Manna, Madhu Sudan; Mukherjee, Santanu","Nitro-enabled catalytic enantioselective formal umpolung alkenylation of β-ketoesters","Chem. Sci.","2017","","","","","10.1039/C7SC02232H","","","0.71073","MoKα","","0.0368","0.0323","","","0.0767","0.0785","","","","","","1.042","","","","has coordinates","199477","2020-10-21","18:00:00",""
"1546781","14.1167","0.0002","11.44999","0.00015","29.4125","0.0004","90","","103.821","0.0015","90","","4616.48","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C200 H296 F8 O40 -","8","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0425","0.0408","","","0.1066","0.1089","","","","","","1.013","","","","has coordinates","199723","2020-10-21","18:00:00",""
"1546789","11.8877","0.0002","24.3685","0.0004","11.9282","0.0002","90","","115.568","0.001","90","","3117.05","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H41 B2 N -","- C40 H41 B2 N -","- C160 H164 B8 N4 -","4","2","","Fingerle, Michael; Maichle-Mössmer, Cäcilia; Schundelmeier, Simon; Speiser, Bernd; Bettinger, Holger F.","Synthesis and Characterization of a Boron-Nitrogen-Boron Zigzag-Edged Benzo[fg]tetracene Motif.","Organic letters","2017","19","17","4428","4431","10.1021/acs.orglett.7b01873","","","0.71073","MoKα","","0.0521","0.0428","","","0.0995","0.1046","","","","","","1.02","","","","has coordinates","200723","2020-10-21","18:00:00",""
"1546801","7.4051","0.0006","8.6895","0.0008","11.7644","0.0011","90","","107.588","0.002","90","","721.61","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.027","0.0252","","","0.0587","0.0599","","","","","","1.049","","","","has coordinates","200728","2020-10-21","18:00:00",""
"1546837","9.785","0.003","7.3055","0.0019","9.929","0.003","90","","118.84","0.002","90","","621.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","S-Sumanene","S-Sumanene","","- C18 H6 S3 -","- C18 H6 S3 -","- C36 H12 S6 -","2","1","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.0361","0.0317","","","0.07","0.0732","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546924","6.1708","0.0002","16.9596","0.0007","14.2882","0.0006","90","","99.9699","0.0019","90","","1472.74","0.1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(Pyridin-2-yl)-1,8-naphthyridine","","- C13 H9 N3 -","- C13 H9 N3 -","- C78 H54 N18 -","6","3","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)-1,8-naphthyridine","IUCrData","2017","2","8","x171221","","10.1107/S2414314617012214","","","0.71075","MoKα","","","0.033","","","","0.0929","","","","","","1.04","","","","has coordinates,has Fobs","200068","2020-10-21","18:00:00",""
"1546926","15.7976","0.0009","12.996","0.0008","17.9469","0.0011","90","","112.625","0.002","90","","3401","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","lsp182","","","- C17 H19 N3 O2 S -","- C17 H19 N3 O2 S -","- C136 H152 N24 O16 S8 -","8","4","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0452","0.0353","","","0.0723","0.0759","","","","","","1.037","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546930","5.0907","0.0002","6.25954","0.00016","5.3871","0.00019","90","","113.261","0.004","90","","157.709","0.01","290","","290","","0","","","","","","","4","P 1 21 1","P 2yb","4","","beta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","200123","2020-10-21","18:00:00",""
"1546954","10.4703","0.0008","8.0849","0.001","33.511","0.002","90","","92.726","0.006","90","","2833.5","0.4","273.77","0.1","273.77","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H34 O3 -","- C19 H34 O3 -","- C114 H204 O18 -","6","3","","Gobu, Fekadu-Roge; Chen, Jian-Jun; Zeng, Jun; Wei, Wen-Jun; Wang, Wei-Feng; Lin, Chang-Jun; Gao, Kun","Isolation, Structure Elucidition, and Immunosuppressive Activity of Diterpenoids from Ligularia fischeri.","Journal of natural products","2017","80","8","2263","2268","10.1021/acs.jnatprod.7b00198","","x-ray","1.54184","CuKα","","0.1313","0.0454","","","0.12","0.1809","","","","","","0.906","","","","has coordinates","200266","2020-10-21","18:00:00",""
"1546957","9.2583","0.0001","8.03346","0.00008","12.0021","0.00014","90","","103.302","0.0011","90","","868.719","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","1.54184","CuKα","","0.029","0.0283","","","0.0719","0.0726","","","","","","1.046","","","","has coordinates","200269","2020-10-21","18:00:00",""
"1546964","6.7038","0.0001","8.3662","0.0002","16.9526","0.0003","90","","93.198","0.001","90","","949.31","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Feng, Tao; Li, Xue-Mei; He, Jun; Ai, Hong-Lian; Chen, He-Ping; Li, Xiao-Nian; Li, Zheng-Hui; Liu, Ji-Kai","Nicotabin A, a Sesquiterpenoid Derivative from Nicotiana tabacum.","Organic letters","2017","19","19","5201","5203","10.1021/acs.orglett.7b02559","","","1.54178","CuKα","","0.0543","0.0541","","","0.1709","0.1714","","","","","","1.107","","","","has coordinates","202791","2020-10-21","18:00:00",""
"1546966","9.2255","0.0001","13.8573","0.0002","15.8051","0.0002","90","","101.43","","90","","1980.46","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C88 H104 N8 O16 -","2","1","","Yuan, Yu-Xi; Zhang, Yu; Guo, Ling-Li; Wang, Yue-Hu; Goto, Masuo; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Tabercorymines A and B, Two Vobasinyl-Ibogan-Type Bisindole Alkaloids from Tabernaemontana corymbosa.","Organic letters","2017","19","18","4964","4967","10.1021/acs.orglett.7b02445","","","1.54178","CuKα","","0.0326","0.0324","","","0.0858","0.0861","","","","","","1.042","","","","has coordinates","201759","2020-10-21","18:00:00",""
"1546979","10.5268","0.0011","14.1611","0.0015","15.3518","0.0016","90","","95.76","0.001","90","","2277","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl N2 O P Ru -","- C46 H70 Cl N2 O P Ru -","- C92 H140 Cl2 N4 O2 P2 Ru2 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0227","0.0216","","","0.0488","0.0493","","","","","","1.02","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546982","11.1064","0.0003","21.5351","0.0006","12.1674","0.0003","90","","105.031","0.0009","90","","2810.6","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 Ni O3 -","- C32 H35 N3 Ni O3 -","- C128 H140 N12 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","1.54178","CuKα","","0.0213","0.0212","","","0.0573","0.0574","","","","","","1.028","","","","has coordinates","200442","2020-10-21","18:00:00",""
"1547005","10.9714","0.0009","16.4516","0.0014","15.508","0.0013","90","","97.083","0.001","90","","2777.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O8 S -","- C30 H28 N2 O8 S -","- C120 H112 N8 O32 S4 -","4","2","","Yue, Deng-Feng; Zhao, Jian-Qiang; Chen, Xiao-Zhen; Zhou, Yan; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Multiple Hydrogen-Bonding Bifunctional Thiourea-Catalyzed Asymmetric Dearomative [4 + 2] Annulation of 3-Nitroindoles: Highly Enantioselective Access to Hydrocarbazole Skeletons.","Organic letters","2017","19","17","4508","4511","10.1021/acs.orglett.7b02068","","","0.71073","MoKα","","0.032","0.0295","","","0.0804","0.0824","","","","","","1.049","","","","has coordinates","200514","2020-10-21","18:00:00",""
"1547009","8.727","0.0004","7.2341","0.0003","14.172","0.0006","90","","100.811","0.0017","90","","878.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","","Verho, Oscar; Maetani, Micah; Melillo, Bruno; Zoller, Jochen; Schreiber, Stuart L.","Stereospecific Palladium-Catalyzed C-H Arylation of Pyroglutamic Acid Derivatives at the C3 Position Enabled by 8-Aminoquinoline as a Directing Group.","Organic letters","2017","19","17","4424","4427","10.1021/acs.orglett.7b01776","","","1.54178","CuKα","","0.0261","0.0259","","","0.0681","0.0683","","","","","","1.044","","","","has coordinates","200518","2020-10-21","18:00:00",""
"1547019","10.1183","0.0007","6.5997","0.0006","15.6889","0.0008","90","","96.969","0.006","90","","1039.93","0.13","294.44","0.1","294.44","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C40 H62 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","0.71073","MoKα","","0.1011","0.062","","","0.141","0.1714","","","","","","1.031","","","","has coordinates","200528","2020-10-21","18:00:00",""
"1547022","9.2948","0.0005","11.2533","0.0007","11.0889","0.0007","90","","95.716","0.006","90","","1154.1","0.12","290.92","0.1","290.92","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0595","0.0436","","","0.0923","0.1056","","","","","","1.096","","","","has coordinates","200531","2020-10-21","18:00:00",""
"1547023","9.80751","0.00015","6.84454","0.00011","11.263","0.0002","90","","105.833","0.0018","90","","727.38","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0702","0.0704","","","","","","1.059","","","","has coordinates","200532","2020-10-21","18:00:00",""
"1547028","7.467","0.003","9.477","0.005","14.485","0.005","90","","97.593","0.008","90","","1016","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C44 H54 N2 O12 -","2","1","","Liu, Xin; Hu, Ya-Jian; Chen, Bo; Min, Long; Peng, Xiao-Shui; Zhao, Jing; Li, Shaoping; Wong, Henry N. C.; Li, Chuang-Chuang","Asymmetric Total Syntheses of Colchicine, β-Lumicolchicine, and Allocolchicinoid N-Acetylcolchinol-O-methyl Ether (NCME).","Organic letters","2017","19","17","4612","4615","10.1021/acs.orglett.7b02224","","","1.54178","CuKα","","0.0931","0.0709","","","0.1877","0.2555","","","","","","1.158","","","","has coordinates","200537","2020-10-21","18:00:00",""
"1547043","7.3612","0.0009","7.4951","0.0009","11.3569","0.0013","90","","96.832","0.003","90","","622.14","0.13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0209","0.02","","","0.0509","0.0515","","","","","","1.046","","","","has coordinates","200552","2020-10-21","18:00:00",""
"1547046","7.4047","0.0004","8.7079","0.0005","11.7729","0.0006","90","","107.542","0.002","90","","723.81","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0264","0.026","","","0.0652","0.0655","","","","","","1.063","","","","has coordinates","200555","2020-10-21","18:00:00",""
"1547050","7.3539","0.0008","7.4949","0.0007","11.3571","0.0013","90","","96.835","0.003","90","","621.52","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0525","0.0532","","","","","","1.036","","","","has coordinates","200559","2020-10-21","18:00:00",""
"1547059","6.5833","0.0014","9.956","0.002","24.64","0.005","90","","95.324","0.004","90","","1608","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","2","","Shi, Li-Min; Dong, Wu-Wei; Tao, Hai-Yan; Dong, Xiu-Qin; Wang, Chun-Jiang","Catalytic Asymmetric Desymmetrization of Cyclopentendiones via Diels-Alder Reaction of 3-Hydroxy-2-pyrones: Construction of Multifunctional Bridged Tricyclic Lactones.","Organic letters","2017","19","17","4532","4535","10.1021/acs.orglett.7b02107","","","0.71073","MoKα","","0.0552","0.0416","","","0.0879","0.0923","","","","","","0.985","","","","has coordinates","200568","2020-10-21","18:00:00",""
"1547068","9.04","0.004","6.791","0.003","19.479","0.008","90","","95.016","0.006","90","","1191.2","0.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O9 -","- C26 H25 N O9 -","- C52 H50 N2 O18 -","2","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.0549","0.0455","","","0.1146","0.1209","","","","","","1.056","","","","has coordinates,has disorder","200582","2020-10-21","18:00:00",""
"1547077","11.7456","0.0004","16.9831","0.0006","12.0924","0.0004","90","","94.193","0.001","90","","2405.7","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C120 H96 O24 -","4","2","","Zhang, Lan-Jun; Bi, De-Wen; Hu, Jiangmiao; Mu, Wei-Hua; Li, Yuan-Ping; Xia, Guang-Hui; Yang, Liu; Li, Xiao-Nian; Liang, Xue-Song; Wang, Li-Qin","Four Hybrid Flavan-Chalcones, Caesalpinnone A Possessing a 10,11-Dioxatricyclic [5.3.3.0(1,6)]Tridecane-Bridged System and Caesalpinflavans A-C from Caesalpinia enneaphylla.","Organic letters","2017","19","16","4315","4318","10.1021/acs.orglett.7b01955","","","1.54178","CuKα","","0.0625","0.0619","","","0.1571","0.1591","","","","","","1.047","","","","has coordinates","200595","2020-10-21","18:00:00",""
"1547091","12.2212","0.0012","13.1633","0.0013","12.165","0.0011","90","","89.91","0.005","90","","1957","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","3-alkylated indole","(S)-2-(2-methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","2","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.1198","0.0613","","","0.1561","0.2207","","","","","","1.078","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547107","7.805","0.0003","11.0195","0.0004","21.568","0.0007","90","","93.907","0.001","90","","1850.69","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0363","0.0349","","","0.0976","0.099","","","","","","1.046","","","","has coordinates","200626","2020-10-21","18:00:00",""
"1547110","10.3276","0.0003","8.421","0.0003","13.1353","0.0004","90","","95.4153","0.0015","90","","1137.26","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O5 -","- C23 H31 N O5 -","- C46 H62 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0586","0.0433","","","0.0982","0.1074","","","","","","1.048","","","","has coordinates","200628","2020-10-21","18:00:00",""
"1547129","9.535","0.0003","7.4498","0.0002","14.7161","0.0004","90","","103.488","0.001","90","","1016.51","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O8 -","- C18 H29 N O8 -","- C36 H58 N2 O16 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0317","0.0315","","","0.0816","0.0817","","","","","","1.04","","","","has coordinates","201749","2020-10-21","18:00:00",""
"1547159","12.6396","0.0003","20.1301","0.0004","14.184","0.0003","90","","91.5813","0.0017","90","","3607.55","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 O10 -","- C39 H40 N4 O10 -","- C156 H160 N16 O40 -","4","2","","Zhang, Wei; Xu, Wei; Wang, Gui-Yang; Gong, Xue-Ying; Li, Ni-Ping; Wang, Lei; Ye, Wen-Cai","Gelsekoumidines A and B: Two Pairs of Atropisomeric Bisindole Alkaloids from the Roots of Gelsemium elegans.","Organic letters","2017","19","19","5194","5197","10.1021/acs.orglett.7b02463","","x-ray","1.54184","CuKα","","0.0821","0.0759","","","0.2056","0.2176","","","","","","1.022","","","","has coordinates","202776","2020-10-21","18:00:00",""
"1547193","9.78469","0.00007","9.17234","0.00004","10.79906","0.00007","90","","108.096","0.0008","90","","921.262","0.011","99.98","0.13","99.98","0.13","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui","Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy","The Journal of Physical Chemistry C","2017","121","38","20947","","10.1021/acs.jpcc.7b06679","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0718","0.0719","","","","","","1.086","","","","has coordinates","201750","2020-10-21","18:00:00",""
"1547197","6.105","0.0012","17.278","0.003","9.698","0.002","90","","97.095","0.004","90","","1015.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Lin, Zhichen; Hu, Zhongyan; Zhang, Xin; Dong, Jinhuan; Liu, Jian-Biao; Chen, De-Zhan; Xu, Xianxiu","Tandem Synthesis of Pyrrolo[2,3-b]quinolones via Cadogen-Type Reaction.","Organic letters","2017","19","19","5284","5287","10.1021/acs.orglett.7b02558","","","0.71069","MoKα","","0.0838","0.0494","","","0.1054","0.1317","","","","","","1.022","","","","has coordinates","211178","2020-10-21","18:00:00",""
"1547201","7.3859","0.0003","20.6898","0.0009","12.4157","0.0006","90","","90.165","0.001","90","","1897.27","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0695","0.0523","","","0.1308","0.1429","","","","","","1.014","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547203","7.7609","0.0005","13.2141","0.0008","18.6769","0.0011","90","","92.246","0.001","90","","1913.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H31 O4 -","- C21 H31 O3.75 -","- C84 H124 O15 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0699","0.0523","","","0.1342","0.1544","","","","","","1.053","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547204","11.5169","0.0019","6.7843","0.0012","12.82","0.002","90","","109.27","0.004","90","","945.6","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H35 O4 -","- C20 H35 O4 -","- C40 H70 O8 -","2","1","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0791","0.0452","","","0.0808","0.0914","","","","","","0.873","","","","has coordinates","200969","2020-10-21","18:00:00",""
"1547250","10.3809","0.0002","11.7017","0.0003","11.3918","0.0002","90","","91.742","0.001","90","","1383.17","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Br2 N4 O2 -","- C28 H36 Br2 N4 O2 -","- C56 H72 Br4 N8 O4 -","2","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0457","0.0334","","","0.0598","0.063","","","","","","0.934","","","","has coordinates","201069","2020-10-21","18:00:00",""
"1547319","8.3072","0.0007","7.8052","0.001","25.7246","0.0027","90","","97.491","0.004","90","","1653.7","0.3","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","dG(C10)2","3',5'-bis-O-decanoyl-2'-deoxyguanosine","","- C30 H49 N5 O6 -","- C30 H49 N5 O6 -","- C60 H98 N10 O12 -","2","1","","Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris","Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif","Chemical Science","2017","8","","3971","3979","10.1039/c7sc00587c","powder diffraction","x-ray","1.5406","","","","","","","","","0.17052","","1.69","","","","","","","has coordinates","201225","2020-10-21","18:00:00",""
"1547336","16.1809","0.0012","6.7481","0.0004","16.4245","0.0013","90","","116.917","0.003","90","","1599.1","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Sidjui, Lazare S.; Eyong, Kenneth O.; Hull, Kenneth G.; Folefoc, Gabriel N.; Leddet, Valérie M; Herbette, Gaëtan; Ollivier, Evelyne; Taube, Joseph; Klausmeyer, Kevin; Romo, Daniel","Bioactive Seco-Lanostane-Type Triterpenoids from the Roots of Leplaea mayombensis.","Journal of natural products","2017","80","10","2644","2651","10.1021/acs.jnatprod.7b00210","","","0.71073","MoKα","","0.1013","0.0607","","","0.1145","0.1249","","","","","","1.029","","","","has coordinates","202670","2020-10-21","18:00:00",""
"1547360","5.3844","0.0004","21.4986","0.0016","8.2956","0.0006","90","","106.438","0.004","90","","921.02","0.12","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 I N3 O7 S -","- C15 H16 I N3 O7 S -","- C30 H32 I2 N6 O14 S2 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.54178","CuKα","","0.0732","0.0712","","","0.1855","0.1874","","","","","","1.077","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547363","4.8466","0.0001","11.7928","0.0003","18.3146","0.0005","90","","96.5347","0.0015","90","","1039.97","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0615","0.044","","","0.0811","0.0861","","","","","","1.142","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547364","8.9667","0.0002","7.6705","0.0002","16.1715","0.0004","90","","92.338","0.001","90","","1111.33","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0344","0.0339","","","0.082","0.0826","","","","","","1.096","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547369","13.6872","0.0016","22.135","0.003","24.856","0.003","90","","94.046","0.004","90","","7511.8","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C170 H155.5 N18 O3 -","- C170 H155.5 N18 O3 -","- C340 H311 N36 O6 -","2","1","","Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo","Template-directed self-assembly of dynamic covalent capsules with polar interiors","Chem. Sci.","2017","","","","","10.1039/C7SC03731G","","","0.71073","MoKα","","0.2986","0.1397","","","0.2872","0.3541","","","","","","1.328","","","","has coordinates,has disorder","201329","2020-10-21","18:00:00",""
"1547393","12.1637","0.0003","6.9628","0.0002","13.0151","0.0004","90","","104.05","0.001","90","","1069.32","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0333","0.0313","","","0.0813","0.0831","","","","","","1.041","","","","has coordinates","202774","2020-10-21","18:00:00",""
"1547496","10.452","0.002","19.191","0.004","12.944","0.003","90","","91.09","0.03","90","","2595.9","0.9","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H52 Br2 N2 Ni -","- C58 H52 Br2 N2 Ni -","- C116 H104 Br4 N4 Ni2 -","2","1","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.0486","0.0446","","","0.1132","0.1166","","","","","","1.078","","","","has coordinates,has disorder","201549","2020-10-21","18:00:00",""
"1547503","5.247","0.002","14.195","0.006","10.646","0.004","90","","101.61","0.008","90","","776.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed via nanoparticles formed in situ from Pd( ii ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0777","0.0617","","","0.1343","0.1438","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547519","12.1734","0.0005","11.7178","0.0004","15.5279","0.0006","90","","110.903","0.002","90","","2069.21","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H39 F2 N5 O3 -","- C38 H39 F2 N5 O3 -","- C76 H78 F4 N10 O6 -","2","1","","Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan","Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.","Journal of medicinal chemistry","2017","60","22","9400","9406","10.1021/acs.jmedchem.7b01243","","","1.54178","CuKα","","0.0962","0.0881","","","0.2507","0.2672","","","","","","1.089","","","","has coordinates","203986","2020-10-21","18:00:00",""
"1547520","16.6578","0.0011","9.9005","0.0007","12.3571","0.0008","90","","102.887","0.004","90","","1986.6","0.2","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0732","0.0652","","","0.1823","0.192","","","","","","1.021","","","","has coordinates","201651","2020-10-21","18:00:00",""
"1547521","7.867","0.0001","11.4726","0.0002","10.1815","0.0001","90","","93.641","0.001","90","","917.08","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0341","0.034","","","0.0914","0.0916","","","","","","1.05","","","","has coordinates","201652","2020-10-21","18:00:00",""
"1547527","13.794","0.002","7.4068","0.0013","15.014","0.002","90","","99.751","0.004","90","","1511.8","0.4","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H30 Br F N2 O8 S -","- C31 H30 Br F N2 O8 S -","- C62 H60 Br2 F2 N4 O16 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71075","MoKα","","0.0259","0.0215","","","0.0407","0.0411","","","","","","0.873","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547529","8.275","0.006","22.39","0.018","9.224","0.007","90","","109.92","0.011","90","","1607","2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N O2 P2 -","- C39 H35 N O2 P2 -","- C78 H70 N2 O4 P4 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0452","0.0367","","","0.0846","0.0882","","","","","","0.997","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547538","5.8614","0.001","27.535","0.005","5.9676","0.001","90","","119.351","0.002","90","","839.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C36 H36 N4 O4 S4 -","4","2","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","1.54178","CuKα","","0.05","0.05","","","0.1283","0.1283","","","","","","1.085","","","","has coordinates","201669","2020-10-21","18:00:00",""
"1547555","5.5574","0.0002","11.2786","0.0004","16.5421","0.0006","90","","99.257","0.001","90","","1023.35","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O3 -","- C23 H23 Br O3 -","- C46 H46 Br2 O6 -","2","1","","Cheng, Yuyu; Han, Yuzhe; Li, Pengfei","Organocatalytic Enantioselective [1 + 4] Annulation of Morita-Baylis-Hillman Carbonates with Electron-Deficient Olefins: Access to Chiral 2,3-Dihydrofuran Derivatives.","Organic letters","2017","19","18","4774","4777","10.1021/acs.orglett.7b02144","","x-ray","1.54178","CuKα","","0.0359","0.0351","","","0.0983","0.099","","","","","","1.133","","","","has coordinates,has disorder","201706","2020-10-21","18:00:00",""
"1547559","9.82867","0.00019","6.11703","0.00012","11.6406","0.0002","90","","100.472","0.0019","90","","688.2","0.02","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0268","0.0264","","","0.0763","0.0768","","","","","","1.151","","","","has coordinates","201710","2020-10-21","18:00:00",""
"1547568","5.7624","0.0001","22.9736","0.0006","9.5587","0.0002","90","","106.003","0.001","90","","1216.37","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O -","- C15 H13 Cl O -","- C60 H52 Cl4 O4 -","4","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0251","0.0244","","","0.0738","0.0749","","","","","","0.661","","","","has coordinates","201719","2020-10-21","18:00:00",""
"1547570","10.1944","0.0002","6.53348","0.00013","13.5748","0.0003","90","","95.12","0.002","90","","900.54","0.03","125","11","125","11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Xu, Bo; Xun, Wen; Wang, Tingzhong; Qiu, Fayang G.","Total Synthesis of (+)-Aplykurodinone-1.","Organic letters","2017","19","18","4861","4863","10.1021/acs.orglett.7b02350","","x-ray","1.54184","CuKα","","0.0467","0.0419","","","0.105","0.1101","","","","","","1.071","","","","has coordinates","201721","2020-10-21","18:00:00",""
"1547575","11.5902","0.0018","7.8925","0.0011","25.534","0.004","90","","96.954","0.003","90","","2318.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","2","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0868","0.0499","","","0.1151","0.1374","","","","","","1.007","","","","has coordinates","201726","2020-10-21","18:00:00",""
"1547587","6.3959","0.0007","8.7834","0.001","17.916","0.002","90","","100.037","0.005","90","","991.08","0.19","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0352","0.0322","","","0.076","0.0779","","","","","","1.048","","","","has coordinates,has disorder","201738","2020-10-21","18:00:00",""
"1547588","6.3983","0.0006","8.7684","0.0009","17.9628","0.0018","90","","99.675","0.005","90","","993.43","0.17","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0454","0.0355","","","0.0818","0.0871","","","","","","1.021","","","","has coordinates,has disorder","201739","2020-10-21","18:00:00",""
"1547594","12.8617","0.0011","16.661","0.0015","12.9222","0.0011","90","","116.765","0.002","90","","2472.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H63 N3 O2 Si2 Zn -","- C53 H63 N3 O2 Si2 Zn -","- C106 H126 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0882","0.0433","","","0.0767","0.0894","","","","","","0.95","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547608","9.67127","0.00007","7.05127","0.00007","15.44464","0.00012","90","","93.4847","0.0006","90","","1051.3","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C48 H70 N2 O4 -","2","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0386","","","0.1023","0.1025","","","","","","1.042","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547611","7.7292","0.0009","25.126","0.003","9.073","0.0013","90","","110.817","0.011","90","","1647","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0287","0.0245","","","0.0588","0.0608","","","","","","1.004","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547685","6.52639","0.00006","61.44","0.0005","7.08782","0.00006","90","","113.23","0.0004","90","","2611.67","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H53 O2.5 -","- C30 H53 O2.5 -","- C120 H212 O10 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.068","0.0583","","","0.1389","0.1444","","","","","","1.022","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547686","16.9259","0.0007","8.7979","0.0003","23.0465","0.0009","90","","107.552","0.001","90","","3272.1","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 Br O3 -","- C37 H55 Br O3 -","- C148 H220 Br4 O12 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1","0.0534","","","0.0733","0.0835","","","","","","1.008","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547710","8.872","0.0003","11.0082","0.0003","9.1544","0.0003","90","","108.429","0.002","90","","848.21","0.05","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0305","","","0.0683","0.071","","","","","","1.05","","","","has coordinates","202107","2020-10-21","18:00:00",""
"1547725","15.446","0.004","5.9493","0.0012","15.55","0.004","90","","103.722","0.008","90","","1388.1","0.6","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.6 H43 O6.9 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Leman-Loubière, Charlotte; Le Goff, Géraldine; Retailleau, Pascal; Debitus, Cécile; Ouazzani, Jamal","Sporothriolide-Related Compounds from the Fungus Hypoxylon monticulosum CLL-205 Isolated from a Sphaerocladina Sponge from the Tahiti Coast.","Journal of natural products","2017","80","10","2850","2854","10.1021/acs.jnatprod.7b00714","","","1.54187","CuKα","","0.1365","0.078","","","0.2001","0.2592","","","","","","1.001","","","","has coordinates","202671","2020-10-21","18:00:00",""
"1547729","9.49772","0.00017","7.06251","0.00013","13.2196","0.0002","90","","104.074","0.0019","90","","860.13","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N3 O4 P -","- C18 H18 N3 O4 P -","- C36 H36 N6 O8 P2 -","2","1","","Huang, Nan; Zou, Liangliang; Peng, Yungui","Enantioselective 1,3-Dipolar Cycloaddition of Methyleneindolinones with α-Diazomethylphosphonate to Access Chiral Spiro-phosphonylpyrazoline-oxindoles Catalyzed by Tertiary Amine Thiourea and 1,5-Diazabicyclo[4.3.0]non-5-ene.","Organic letters","2017","19","21","5806","5809","10.1021/acs.orglett.7b02763","","x-ray","1.54184","CuKα","","0.0413","0.0408","","","0.1081","0.1091","","","","","","0.915","","","","has coordinates","202856","2020-10-21","18:00:00",""
"1547736","7.459","0.0006","15.314","0.0013","11.5062","0.0013","90","","91.057","0.008","90","","1314.1","0.2","170.1","","170.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1095","0.0919","","","0.2381","0.2705","","","","","","1.056","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547765","14.578","0.002","13.1698","0.0017","19.698","0.003","90","","106.053","0.007","90","","3634.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 F2 N4 O12.5 -","- C28 H42 F2 N4 O12.5 -","- C112 H168 F8 N16 O50 -","4","2","","Burade, Sachin S.; Saha, Tanmoy; Bhuma, Naresh; Kumbhar, Navanath; Kotmale, Amol; Rajamohanan, Pattuparambil R.; Gonnade, Rajesh G.; Talukdar, Pinaki; Dhavale, Dilip D.","Self-Assembly of Fluorinated Sugar Amino Acid Derived α,γ-Cyclic Peptides into Transmembrane Anion Transport.","Organic letters","2017","19","21","5948","5951","10.1021/acs.orglett.7b02942","","","1.54178","CuKα","","0.1728","0.1345","","","0.3783","0.4271","","","","","","1.497","","","","has coordinates,has disorder","202864","2020-10-21","18:00:00",""
"1547776","9.8304","0.0003","7.6333","0.0002","20.2122","0.0006","90","","102.819","0.002","90","","1478.89","0.07","299","2","298.83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30.5 H49 Cl O5 -","- C30.5 H49 Cl O5 -","- C61 H98 Cl2 O10 -","2","1","","Xiong, Juan; Wan, Jiang; Ding, Jie; Wang, Pei-Pei; Ma, Guang-Lei; Li, Jia; Hu, Jin-Feng","Camellianols A-G, Barrigenol-like Triterpenoids with PTP1B Inhibitory Effects from the Endangered Ornamental Plant Camellia crapnelliana.","Journal of natural products","2017","80","11","2874","2882","10.1021/acs.jnatprod.7b00241","","","1.54178","CuKα","","0.0753","0.0604","","","0.1535","0.1706","","","","","","1.051","","","","has coordinates,has disorder","203987","2020-10-21","18:00:00",""
"1547777","7.6012","0.0006","10.7068","0.0009","9.9472","0.0007","90","","100.274","0.0017","90","","796.57","0.11","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0666","","","","0.1408","","","","","","1.271","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547780","7.398","0.0003","10.7677","0.0004","10.053","0.0004","90","","100.666","0.0014","90","","786.98","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0489","","","","0.147","","","","","","1.89","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547781","9.6502","0.0002","10.1186","0.0001","9.806","0.0002","90","","112.655","0.002","90","","883.64","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Wang, Xu; Xiong, Wenfang; Huang, Yubing; Zhu, Jiayi; Hu, Qiong; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Synthesis of 1H-Indenes and Phthalimides via Isocyanide Insertion.","Organic letters","2017","19","21","5818","5821","10.1021/acs.orglett.7b02771","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.082","0.0833","","","","","","1.077","","","","has coordinates","202838","2020-10-21","18:00:00",""
"1547783","7.9678","0.0018","10.943","0.003","15.044","0.004","90","","95.755","0.004","90","","1305.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 S2 -","- C27 H29 N3 O4 S2 -","- C54 H58 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.0867","0.0514","","","0.106","0.1281","","","","","","1.018","","","","has coordinates","202840","2020-10-21","18:00:00",""
"1547806","15.066","0.002","8.9311","0.0015","18.428","0.003","90","","109.998","0.005","90","","2330.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br F3 O2 -","- C27 H20 Br F3 O2 -","- C108 H80 Br4 F12 O8 -","4","2","","Zhang, Junyou; Wu, Hai-Hong; Zhang, Junliang","Enantioselective Phosphine-Catalyzed Allylic Alkylations of mix-Indene with MBH Carbonates.","Organic letters","2017","19","22","6080","6083","10.1021/acs.orglett.7b02895","","","0.71073","MoKα","","0.1082","0.0459","","","0.0709","0.0904","","","","","","1.001","","","","has coordinates","204890","2020-10-21","18:00:00",""
"1547840","12.01771","0.00012","6.66052","0.00007","18.21093","0.00019","90","","98.0021","0.0009","90","","1443.49","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","2","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.027","0.0263","","","0.0681","0.0687","","","","","","1.031","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547854","12.7943","0.0004","8.5404","0.0002","17.244","0.0006","90","","108.984","0.004","90","","1781.74","0.1","157","2","157","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-Leucophyllidine","","","- C42 H52 N4 O3 -","- C42 H52 N4 O3 -","- C84 H104 N8 O6 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0602","0.0485","","","0.1151","0.123","","","","","","1.017","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547858","8.65954","0.00013","7.95159","0.00011","11.56157","0.00018","90","","98.5016","0.0015","90","","787.35","0.02","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-19-Hydroxyeburnamenine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0297","0.0294","","","0.0773","0.0777","","","","","","1.069","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547906","11.9476","0.0005","5.9856","0.0003","12.3311","0.0005","90","","93.344","0.002","90","","880.34","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-56","gene577","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0271","0.0265","","","0.0678","0.0683","","","","","","1.056","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547911","5.7244","0.0003","14.8287","0.0007","21.3598","0.0011","90","","97.293","0.002","90","","1798.47","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","68869-124-27","gene685","","- C22 H19 I -","- C22 H19 I -","- C88 H76 I4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0448","0.0439","","","0.1438","0.1464","","","","","","1.116","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547915","5.9827","0.0002","25.0699","0.0007","11.6168","0.0003","90","","90.887","0.002","90","","1742.14","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-81","gene578","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0377","0.0337","","","0.0772","0.0794","","","","","","1.043","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547932","11.7538","0.0005","5.9738","0.0002","12.1137","0.0005","90","","93.451","0.002","90","","849.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","60473-26","gene601","","- C22 H21 F O -","- C22 H21 F O -","- C44 H42 F2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0814","0.0525","","","0.1058","0.1167","","","","","","1.046","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547942","10.5132","0.0001","9.6837","0.0001","10.8056","0.0001","90","","93.347","0.001","90","","1098.21","0.019","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral N,N'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0505","0.0499","","","0.1275","0.1285","","","","","","1.025","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547943","6.6941","0.0002","8.926","0.0004","18.2322","0.0006","90","","92.895","0.003","90","","1088.01","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral N,N'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0692","0.0686","","","0.1811","0.1827","","","","","","1.082","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547954","8.9159","0.0005","12.7935","0.0006","10.4016","0.0005","90","","91.208","0.004","90","","1186.2","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.0739","0.0781","","","","","","1.098","","","","has coordinates","203043","2020-10-21","18:00:00",""
"1547955","8.873","0.001","12.778","0.0009","10.3459","0.001","90","","92.25","0.009","90","","1172.11","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0762","0.0777","","","","","","1.097","","","","has coordinates","203044","2020-10-21","18:00:00",""
"1547982","16.43","0.03","10.012","0.015","44.3","0.09","90","","95.65","0.08","90","","7252","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C77 H59 N7 O4 -","- C75.5 H57.75 N7 O4 -","- C302 H231 N28 O16 -","4","2","","Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban","A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif","Nature Communications","2016","7","","12657","","10.1038/ncomms12657","","","0.6889","","","0.5577","0.3323","","","0.5374","0.6531","","","","","","1.586","","","","has coordinates,has disorder","203071","2020-10-21","18:00:00",""
"1547985","5.6324","0.0003","26.1594","0.0016","9.3139","0.0005","90","","105.68","0.0019","90","","1321.25","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","2","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0528","0.0446","","","0.0925","0.0968","","","","","","1.044","","","","has coordinates","203074","2020-10-21","18:00:00",""
"1547986","9.9398","0.0008","30.471","0.003","17.5604","0.0015","90","","97.837","0.003","90","","5268.9","0.8","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H148 Mo2 N8 O17 S -","- C104 H148 Mo2 N8 O17 S -","- C208 H296 Mo4 N16 O34 S2 -","2","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1283","0.0715","","","0.136","0.1585","","","","","","1.008","","","","has coordinates,has disorder","203075","2020-10-21","18:00:00",""
"1547988","26.8296","0.0016","9.6925","0.0005","10.5106","0.0006","90","","101.233","0.0019","90","","2680.9","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br O3 S -","- C12 H15 Br O3 S -","- C96 H120 Br8 O24 S8 -","8","4","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1706","0.062","","","0.0935","0.1213","","","","","","0.949","","","","has coordinates","203077","2020-10-21","18:00:00",""
"1548056","7.3384","0.0002","18.5774","0.0006","13.3299","0.0004","90","","90.1024","0.0018","90","","1817.24","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","2","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.08","0.0628","","","0.1697","0.2075","","","","","","1.451","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548120","10.9006","0.0006","7.8767","0.0005","11.1971","0.0006","90","","118.648","0.002","90","","843.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","salvifiline A /15-epi-salvifiline A","","","- C20 H22 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0321","0.0303","","","0.0724","0.0737","","","","","","1.072","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548121","10.9433","0.0012","7.8994","0.0009","11.2708","0.0017","90","","118.237","0.007","90","","858.4","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Polystachyne G/15-epi-polystachyne G","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.1919","0.1321","","","0.3358","0.3676","","","","","","1.148","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548145","17.0175","0.0008","28.9186","0.0013","22.7929","0.001","90","","100.484","0.001","90","","11029.6","0.9","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C160 H94 N2 -","- C160 H94 N2 -","- C640 H376 N8 -","4","2","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C60.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1356","0.0969","","","0.2411","0.2627","","","","","","1.077","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548191","11.197","0.0001","11.9551","0.0001","14.1022","0.0002","90","","108.316","0.001","90","","1792.1","0.04","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1S,2S,4S,5R)-2-((R)-quinolin-4-yl((trimethylsilyl)oxy)methyl)-5-(2-(1-tosylpipe","","- C34 H50 Cl N3 O4 S Si -","- C34 H50 Cl N3 O4 S Si -","- C68 H100 Cl2 N6 O8 S2 Si2 -","2","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0866","0.0854","","","0.2767","0.2802","","","","","","1.085","","","","has coordinates,has disorder","203527","2020-10-21","18:00:00",""
"1548208","15.088","0.0004","13.2353","0.0003","18.0221","0.0005","90","","94.414","0.002","90","","3588.23","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0662","0.0607","","","0.1447","0.1479","","","","","","1.009","","","","has coordinates,has disorder","203545","2020-10-21","18:00:00",""
"1548209","15.1029","0.0008","13.2535","0.0006","18.033","0.0009","90","","94.44","0.003","90","","3598.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0677","0.0608","","","0.1417","0.1453","","","","","","1.002","","","","has coordinates","203546","2020-10-21","18:00:00",""
"1548222","6.2312","0.0005","5.2898","0.0004","16.469","0.0013","90","","96.772","0.004","90","","539.06","0.07","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C18 H24 I2 N2 O6 -","2","1","","Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo","Supramolecular amplification of amyloid self-assembly by iodination","Nature Communications","2015","6","","7574","","10.1038/ncomms8574","","","0.71073","MoKα","","0.0415","0.0368","","","0.0823","0.084","","","","","","1.111","","","","has coordinates","203607","2020-10-21","18:00:00",""
"1548224","12.6748","0.0003","5.3055","0.0001","13.6447","0.0003","90","","106.479","0.0008","90","","879.86","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","The salt of 3,5-dimethoxybenzoic acid (Fdash) and (1R,2S)-norephedrine (T)","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida","Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically","Nature Communications","2015","6","","8418","","10.1038/ncomms9418","","","0.71073","MoKα","","0.0642","0.0496","","","0.1364","0.1484","","","","","","1.068","","","","has coordinates","203609","2020-10-21","18:00:00",""
"1548226","7.2978","0.0006","6.7046","0.0003","11.4419","0.0007","90","","90.391","0.005","90","","559.83","0.06","295.4","0.1","295.4","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0629","0.0483","","","0.1335","0.1547","","","","","","0.947","","","","has coordinates","203611","2020-10-21","18:00:00",""
"1548234","8.9071","0.0002","39.9588","0.001","13.1061","0.0004","90","","109.226","0.001","90","","4404.5","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H60 N7 O15.7 -","- C36 H60 N7 O15.7 -","- C144 H240 N28 O62.8 -","4","2","","Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit","Formation of functional super-helical assemblies by constrained single heptad repeat","Nature Communications","2015","6","","8615","","10.1038/ncomms9615","","","0.71073","MoKα","","0.0428","0.0419","","","0.1105","0.1113","","","","","","1.074","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548238","11.541","0.0002","16.4653","0.0003","32.9338","0.0005","90","","95.72","0.001","90","","6227.12","0.18","100.01","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H44 O6 -","- C34 H44 O6 -","- C272 H352 O48 -","8","4","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54184","CuKα","","0.0732","0.0714","","","0.1899","0.1914","","","","","","1.061","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548247","12.65","0.005","30.179","0.011","16.608","0.006","90","","111.13","0.007","90","","5914","4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76.5 H58 N2 O6 -","- C76.5 H58 N2 O6 -","- C306 H232 N8 O24 -","4","2","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.163","0.1239","","","0.2942","0.3296","","","","","","1.149","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548253","9.19","0.001","30.098","0.003","10.4179","0.0011","90","","102.688","0.003","90","","2811.2","0.5","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H32 B2 N4 -","- C35 H32 B2 N4 -","- C140 H128 B8 N16 -","4","2","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0926","0.0665","","","0.1485","0.1648","","","","","","1.009","","","","has coordinates","203686","2020-10-21","18:00:00",""
"1548278","6.618","0.0001","11.0447","0.0001","9.5463","0.0001","90","","97.521","0.001","90","","691.773","0.014","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0292","0.0291","","","0.0734","0.0735","","","","","","1.088","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548279","9.3421","0.0001","19.9924","0.0002","9.4989","0.0001","90","","101.955","0.001","90","","1735.64","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.044","0.0432","","","0.1197","0.1206","","","","","","1.054","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548289","14.3972","0.0004","6.525","0.0002","15.8944","0.0005","90","","110.13","0.003","90","","1401.94","0.08","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H48 O7 -","- C28 H48 O7 -","- C56 H96 O14 -","2","1","","Woo, Jung-Kyun; Ha, Thi Kim Quy; Oh, Dong-Chan; Oh, Won-Keun; Oh, Ki-Bong; Shin, Jongheon","Polyoxygenated Steroids from the Sponge Clathria gombawuiensis.","Journal of natural products","2017","80","12","3224","3233","10.1021/acs.jnatprod.7b00651","","x-ray","1.54184","CuKα","","0.066","0.061","","","0.1847","0.1927","","","","","","1.519","","","","has coordinates","204792","2020-10-21","18:00:00",""
"1548295","13.673","0.0011","7.849","0.0008","18.491","0.0018","90","","95.18","0.008","90","","1976.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H50 O6 S -","- C48 H50 O6 S -","- C96 H100 O12 S2 -","2","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.1134","0.0626","","","0.1107","0.1377","","","","","","1.049","","","","has coordinates","203757","2020-10-21","18:00:00",""
"1548312","11.2207","0.0003","22.4613","0.0008","16.9237","0.0006","90","","105.662","0.001","90","","4106.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 K10 Mo14 O80 S2 -","- C26 K10 Mo14 O80 S2 -","- C52 K20 Mo28 O160 S4 -","2","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0195","0.0191","","","0.0515","0.0517","","","","","","1.034","","","","has coordinates","203775","2020-10-21","18:00:00",""
"1548330","16.2732","0.0009","14.186","0.0008","23.6996","0.0012","90","","90.041","0.004","90","","5471.1","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H115 Au Cl4 K O68 -","- C72 H115 Au Cl4 K O68 -","- C144 H230 Au2 Cl8 K2 O136 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1064","0.0674","","","0.1694","0.1867","","","","","","0.987","","","","has coordinates,has disorder","203815","2020-10-21","18:00:00",""
"1548331","15.8246","0.0004","24.5009","0.0006","19.0924","0.0005","90","","108.401","0.001","90","","7024","0.3","109","2","109.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H143 Au Br4 K O72 -","- C84 H143 Au Br4 K O72 -","- C168 H286 Au2 Br8 K2 O144 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0829","0.08","","","0.218","0.2225","","","","","","1.032","","","","has coordinates,has disorder","203816","2020-10-21","18:00:00",""
"1548332","15.7337","0.0003","24.3445","0.0005","19.2645","0.0004","90","","108.748","0.001","90","","6987.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H134 Au0.79 Cl3.36 K O92 -","- C84 H134 Au0.786 Cl3.3586 K O92 -","- C168 H268 Au1.572 Cl6.7172 K2 O184 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.0618","0.0601","","","0.1614","0.163","","","","","","1.058","","","","has coordinates,has disorder","203817","2020-10-21","18:00:00",""
"1548356","13.90384","0.00058","8.58701","0.00036","8.82875","0.00045","90","","97.8549","0.0031","90","","1044.2","0.08","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","Doripenem dihydrate","","","- C15 H28 N4 O8 S2 -","- C15 H24 N4 O8 S2 -","- C30 H48 N8 O16 S4 -","2","1","","Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano","Crystal Chemistry of the Antibiotic Doripenem","Journal of Pharmaceutical Sciences","2014","103","","3641","3647","10.1002/jps.24166","powder diffraction","","","CuKα","","","","","","","","","","14.4","","","","","","","has coordinates","203868","2020-10-21","18:00:00",""
"1548357","11.37522","0.00034","8.61856","0.00027","10.00122","0.00029","90","","100.369","0.0019","90","","964.49","0.05","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","Doripenem monohydrate","","","- C15 H26 N4 O7 S2 -","- C15 H24 N4 O7 S2 -","- C30 H48 N8 O14 S4 -","2","1","","Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano","Crystal Chemistry of the Antibiotic Doripenem","Journal of Pharmaceutical Sciences","2014","103","","3641","3647","10.1002/jps.24166","powder diffraction","","","CuKα","","","","","","","","","","12.9","","","","","","","has coordinates","203869","2020-10-21","18:00:00",""
"1548359","6.254","0.0002","11.2919","0.0003","11.5524","0.0004","90","","97.355","0.001","90","","809.11","0.04","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-methoxyestradiol","17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.0523","0.0366","","","0.0776","0.0842","","","","","","1.006","","","","has coordinates","203871","2020-10-21","18:00:00",""
"1548389","11.7226","0.0009","21.8073","0.0017","12.0149","0.0009","90","","112.115","0.003","90","","2845.5","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 Co3 F12 N15 O P2 -","- C50 H51 Co3 F12 N15 O P2 -","- C100 H102 Co6 F24 N30 O2 P4 -","2","1","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0327","0.0303","","","0.0807","0.0821","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548405","5.9996","0.0003","4.9812","0.0003","18.7925","0.001","90","","91.68","0.004","90","","561.38","0.05","","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Br O S -","- C14 H9 Br O S -","- C28 H18 Br2 O2 S2 -","2","1","","Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter","Regioselective synthesis of C3 alkylated and arylated benzothiophenes","Nature Communications","2017","8","","14801","","10.1038/ncomms14801","","x-ray","1.54178","CuKα","","0.0432","0.0411","","","0.11","0.1114","","","","","","1.065","","","","has coordinates","204080","2020-10-21","18:00:00",""
"1548412","10.0193","0.0005","11.4723","0.0006","10.4263","0.0005","90","","92.079","0.003","90","","1197.66","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","SBP-20160126","","","- C23 H26 N6 O6 S -","- C23 H26 N6 O6 S -","- C46 H52 N12 O12 S2 -","2","1","","Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park","Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction","Nature Communications","2016","7","","13196","","10.1038/ncomms13196","","","0.71073","","","0.317","0.138","","","0.2464","0.3164","","","","","","1.07","","","","has coordinates","204148","2020-10-21","18:00:00",""
"1548452","13.0528","0.0003","8.3014","0.0002","14.8105","0.0004","90","","101.605","0.001","90","","1572.01","0.07","","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H54 N4 O8 -","- C30 H42 N4 O8 -","- C60 H84 N8 O16 -","2","1","","Li-Na Liu; Jian-Qiang Ran; Li-Jun Li; Yu Zhao; Masuo Goto; Susan L. Morris-Natschke; Kuo-Hsiung Lee; Bao-Yu Zhao; Cheng-Jian Tan","Ochrocephalamine A, a new quinolizidine alkaloid from Oxytropis ochrocephala Bunge","Tetrahedron Letters","2016","57","","5047","5049","10.1016/j.tetlet.2016.10.009","","x-ray","1.54178","CuKα","","0.0542","0.0538","","","0.1398","0.1402","","","","","","3.704","","","","has coordinates","204221","2020-10-21","18:00:00",""
"1548454","4.5412","0.0004","4.8838","0.0004","10.1982","0.001","90","","98.226","0.007","90","","223.85","0.03","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 Li O3 -","- C3 H5 Li O3 -","- C6 H10 Li2 O6 -","2","1","","Mondal, Arobendo; Gaultois, Michael W.; Pell, Andrew J.; Iannuzzi, Marcella; Grey, Clare P.; Hutter, Jürg; Kaupp, Martin","Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.","Journal of chemical theory and computation","2017","","","","","10.1021/acs.jctc.7b00991","","","1.54178","CuKα","","0.0533","0.0444","","","0.1127","0.1206","","","","","","1.09","","","","has coordinates","204264","2020-10-21","18:00:00",""
"1548458","9.495","0.0003","8.8357","0.0003","12.0617","0.0004","90","","90.258","0.002","90","","1011.91","0.06","97","2","97","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0418","0.0337","","","0.0753","0.0786","","","","","","1.016","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548509","5.3477","0.0001","14.5931","0.0002","12.6564","0.0002","90","","93.912","0.001","90","","985.4","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","","1.54178","CuKα","","0.0288","0.0287","","","0.076","0.0762","","","","","","1.046","","","","has coordinates","204416","2020-10-21","18:00:00",""
"1548512","7.48087","0.00009","22.1683","0.0002","11.52385","0.00013","90","","90.1036","0.001","90","","1911.09","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0499","0.0492","","","0.1286","0.129","","","","","","1.104","","","","has coordinates","288248","2023-12-12","12:55:22",""
"1548527","9.4094","0.0003","11.7301","0.0003","9.5007","0.0006","90","","99.289","0.007","90","","1034.87","0.08","","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N3 O7 -","- C19 H22 F3 N3 O7 -","- C38 H44 F6 N6 O14 -","2","1","","Brendan T. Parr; Christos Economou; Seth B. Herzon","A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials","Nature","2015","525","","507","510","10.1038/nature14902","","x-ray","0.71075","MoKα","","0.0573","0.051","","","0.0721","0.0736","","","","","","1.162","","","","has coordinates","204446","2020-10-21","18:00:00",""
"1548529","6.7424","0.0005","17.1958","0.0014","9.2973","0.0007","90","","102.425","0.0017","90","","1052.69","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 Cl2 N -","- C22 H31 Cl2 N -","- C44 H62 Cl4 N2 -","2","1","","Shaolin Zhu; Nootaree Niljianskul; Stephen L. Buchwald","A direct approach to amines with remote stereocenters by enantioselective CuH-catalysed reductive relay hydroamination","Nature Chemistry","2016","8","","144","150","10.1038/nchem.2418","","","0.71073","MoKα","","0.0351","0.0321","","","0.0801","0.0821","","","","","","1.056","","","","has coordinates","204449","2020-10-21","18:00:00",""
"1548535","7.9231","0.0003","10.9643","0.0004","21.6231","0.0007","90","","95.083","0.001","90","","1871.04","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0425","0.0336","","","0.0866","0.0919","","","","","","1.015","","","","has coordinates","204487","2020-10-21","18:00:00",""
"1548537","9.8181","0.0001","16.3996","0.0002","13.9736","0.0002","90","","107.009","0.001","90","","2151.52","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O6 -","- C23 H34 O6 -","- C92 H136 O24 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","x-ray","1.54184","CuKα","","0.0379","0.0371","","","0.0986","0.0998","","","","","","1.039","","","","has coordinates","204489","2020-10-21","18:00:00",""
"1548538","8.7254","0.0002","13.1452","0.0003","20.1229","0.0005","90","","98.593","0.001","90","","2282.13","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0345","0.034","","","0.0935","0.0939","","","","","","1.055","","","","has coordinates","204490","2020-10-21","18:00:00",""
"1548539","6.2989","0.0002","27.0429","0.0006","11.3517","0.0003","90","","104.096","0.001","90","","1875.43","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 O5.5 -","- C20 H31 O5.5 -","- C80 H124 O22 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0341","0.0325","","","0.0825","0.0836","","","","","","1.047","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548541","12.5466","0.0006","6.2439","0.0003","13.9222","0.0006","90","","101.124","0.002","90","","1070.17","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O8 -","- C22 H34 O8 -","- C44 H68 O16 -","2","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0322","0.0316","","","0.0923","0.0931","","","","","","1.086","","","","has coordinates","204493","2020-10-21","18:00:00",""
"1548562","7.3863","0.0015","6.6732","0.0013","19.53","0.004","90","","90.68","0.03","90","","962.6","0.3","","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","1.54178","CuKα","","","0.034","","","0.088","","","","","","","1.06","","","","has coordinates","204653","2020-10-21","18:00:00",""
"1548582","12.9884","0.0009","17.0042","0.0012","13.3251","0.0009","90","","90.318","0.002","90","","2942.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido[tris(p-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C126 H126 As6 Au6 Cl6 -","6","3","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0437","0.0427","","","0.1079","0.1086","","","","","","1.012","","","","has coordinates","204686","2020-10-21","18:00:00",""
"1548672","8.5395","0.0013","8.9377","0.0013","23.444","0.004","90","","91.066","0.002","90","","1789","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","2","VM4032","Guerrab, Walid; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180057","","10.1107/S2414314618000573","","","0.71073","MoKα","","0.0549","0.0444","","","0.1075","0.1119","","","","","","1.044","","","","has coordinates,has Fobs","205180","2020-10-21","18:00:00",""
"1548678","8.0762","0.0004","6.2486","0.0004","14.5096","0.001","90","","92.161","0.002","90","","731.71","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","","- C11 H19 N O7 S -","- C11 H19 N O7 S -","- C22 H38 N2 O14 S2 -","2","1","TK4043","Prabu, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","IUCrData","2018","3","1","x171848","","10.1107/S241431461701848X","","","0.71073","MoKα","","0.0559","0.0371","","","0.0728","0.0811","","","","","","1.023","","","","has coordinates,has Fobs","205186","2020-10-21","18:00:00",""
"1548702","9.769","0.003","13.123","0.003","10.039","0.003","90","","114.345","0.003","90","","1172.5","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C58 H50 N2 O6 S2 -","2","1","","Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao","Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with N-sulfonylimines: a facile synthesis of tetrahydropyridines.","Chemical science","2018","9","7","1831","1835","10.1039/c7sc04515h","","","0.71073","MoKα","","0.0433","0.0413","","","0.0895","0.0909","","","","","","1.096","","","","has coordinates","228792","2020-10-21","18:00:00",""
"1548711","8.1168","0.0003","9.4717","0.0003","9.3676","0.0003","90","","98.37","0.001","90","","712.51","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.0367","0.0367","","","0.0922","0.0922","","","","","","1.123","","","","has coordinates","205337","2020-10-21","18:00:00",""
"1548721","3.963","0.003","5.849","0.005","27.67","0.03","90","","91.654","0.012","90","","641.1","1","173","2","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H5 Br2 F2 N S -","- C13 H5 Br2 F2 N S -","- C26 H10 Br4 F4 N2 S2 -","2","1","","Lin, Zuzhang; Liu, Xiaotong; Zhang, Weifeng; Huang, Jianyao; Wang, Qiang; Shi, Keli; Chen, Zhihui; Zhou, Yankai; Wang, Liping; Yu, Gui","Cyanostyrylthiophene-Based Ambipolar Conjugated Polymers: Synthesis, Properties, and Analyses of Backbone Fluorination Effect","Macromolecules","2018","51","3","966","","10.1021/acs.macromol.7b02401","","","0.71073","MoKα","","0.0391","0.037","","","0.0916","0.0944","","","","","","1.083","","","","has coordinates","227641","2020-10-21","18:00:00",""
"1548723","8.2245","0.0016","17.776","0.004","10.845","0.002","90","","109.79","0.03","90","","1491.9","0.6","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C26 H49 O3 Sc Si2 -","- C26 H49 O3 Sc Si2 -","- C52 H98 O6 Sc2 Si4 -","2","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0501","0.0484","","","0.1156","0.1171","","","","","","1.05","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548724","8.2286","0.0016","17.857","0.004","10.889","0.002","90","","109.76","0.03","90","","1505.8","0.6","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","3","","- C26 H49 Lu O3 Si2 -","- C26 H49 Lu O3 Si2 -","- C52 H98 Lu2 O6 Si4 -","2","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0402","0.0389","","","0.0913","0.0939","","","","","","1.062","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548728","3.7363","0.0002","7.0071","0.0003","12.5877","0.0006","90","","94.8144","0.0016","90","","328.39","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","meta-nitrobenzaldehyde m-nitrobenzaldehyde","3-Nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H5 N O3 -","- C14 H10 N2 O6 -","2","1","HB4202","Engwerda, Antonius H.J.; Brugman, Sander J.T.; Tinnemans, Paul; Vlieg, Elias","3-Nitrobenzaldehyde","IUCrData","2018","3","1","x180092","","10.1107/S2414314618000925","","","0.71073","MoKα","","0.0337","0.0299","","","0.0863","0.089","","","","","","1.051","","","","has coordinates,has Fobs","205435","2020-10-21","18:00:00",""
"1548732","9.6865","0.0002","11.9018","0.0003","13.746","0.0004","90","","104.952","0.003","90","","1531.08","0.07","103.2","","103.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H38 O12 -","- C33 H38 O12 -","- C66 H76 O24 -","2","1","","Chen, Fang-You; Li, Chuang-Jun; Ma, Jie; Zhou, Jian; Li, Li; Zhang, Zhao; Chen, Nai-Hong; Zhang, Dong-Ming","Neuroprotective Dihydroagarofuran Sesquiterpene Derivatives from the Leaves of Tripterygium wilfordii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00615","","","1.5418","CuKα","","0.0365","0.0354","","","0.0903","0.0916","","","","","","1.033","","","","has coordinates","205458","2020-10-21","18:00:00",""
"1548733","10.527","0.0015","9.3108","0.0005","15.753","0.002","90","","102.012","0.013","90","","1510.2","0.3","106.4","","106.4","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O12 -","- C32 H37 N O12 -","- C64 H74 N2 O24 -","2","1","","Chen, Fang-You; Li, Chuang-Jun; Ma, Jie; Zhou, Jian; Li, Li; Zhang, Zhao; Chen, Nai-Hong; Zhang, Dong-Ming","Neuroprotective Dihydroagarofuran Sesquiterpene Derivatives from the Leaves of Tripterygium wilfordii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00615","","","1.5418","CuKα","","0.0429","0.0406","","","0.1069","0.1097","","","","","","1.026","","","","has coordinates","205459","2020-10-21","18:00:00",""
"1548833","4.6368","0.0006","7.8718","0.0009","25.885","0.003","90","","93.657","0.002","90","","942.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H31 Cl O5 -","- C18 H31 Cl O5 -","- C36 H62 Cl2 O10 -","2","1","","Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua","Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.7b04998","","","0.71073","MoKα","","0.0307","0.0275","","","0.0737","0.0811","","","","","","1.133","","","","has coordinates","205918","2020-10-21","18:00:00",""
"1548836","10.752","0.002","34.601","0.004","16.762","0.002","90","","90.48","0.008","90","","6235.7","1.6","93","0.2","93","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H96 O18 -","- C51 H71.5 O21 -","- C204 H286 O84 -","4","2","","May, Daniel S.; Kang, Hahk-Soo; Santarsiero, Bernard D.; Krunic, Aleksej; Shen, Qi; Burdette, Joanna E.; Swanson, Steven M.; Orjala, Jimmy","Ribocyclophanes A‒E, Glycosylated Cyclophanes with Antiproliferative Activity from Two Cultured Terrestrial Cyanobacteria","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00954","","","0.77484","synchrotron","","0.1063","0.0996","","","0.2478","0.2552","","","","","","1.019","","","","has coordinates","205921","2020-10-21","18:00:00",""
"1548837","4.7521","0.0003","25.2432","0.0016","17.1496","0.0011","90","","90.701","0.005","90","","2057.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 Br2 O5 -","- C18 H24.0008 Br2 O5 -","- C72 H96.0032 Br8 O20 -","4","2","","Sutour, Sylvain; Therrien, Bruno; von Reuss, Stephan H.; Tomi, Félix","Halogenated C15 Acetogenin Analogues of Obtusallene III from a Laurenciella sp. Collected in Corsica","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00706","","","0.71073","MoKα","","0.139","0.0656","","","0.1318","0.1563","","","","","","1.022","","","","has coordinates,has disorder","205922","2020-10-21","18:00:00",""
"1548861","11.4023","0.0002","8.446","0.0001","12.168","0.0002","90","","117.387","0.002","90","","1040.49","0.03","150","","150","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl F6 N -","- C22 H20 Cl F6 N -","- C44 H40 Cl2 F12 N2 -","2","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0365","0.0357","","0.095","0.0937","0.095","","","","","","1.0028","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548863","13.9275","0.0001","18.6673","0.0001","15.2746","0.0001","90","","110.757","0.0008","90","","3713.47","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46.5 H39 Cl N O2 P -","- C46.5 H39 Cl N O2 P -","- C186 H156 Cl4 N4 O8 P4 -","4","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.5418","CuKα","","0.0475","0.0453","","0.1194","0.1169","0.1194","","","","","","1.0071","","","","has coordinates","228797","2020-10-21","18:00:00",""
"1548872","10.17707","0.00014","8.43885","0.00015","18.8541","0.0003","90","","101.724","0.0015","90","","1585.46","0.04","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H12 F6 N O P -","- C15 H12 F6 N O P -","- C60 H48 F24 N4 O4 P4 -","4","2","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp x RhIII catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","x-ray","1.54184","CuKα","","0.0512","0.0482","","","0.1257","0.1288","","","","","","1.027","","","","has coordinates,has disorder","228852","2020-10-21","18:00:00",""
"1548894","10.0952","0.0013","16.406","0.002","10.2489","0.0014","90","","90.105","0.003","90","","1697.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C52 H100 N8 O16 S2 -","2","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1287","0.07","","","0.1457","0.1725","","","","","","1.024","","","","has coordinates,has disorder","230977","2020-10-21","18:00:00",""
"1548896","9.51","0.0009","15.8715","0.0012","10.7748","0.0011","90","","105.503","0.003","90","","1567.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C48 H92 N8 O16 S2 -","2","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1276","0.0603","","","0.1211","0.1491","","","","","","1.017","","","","has coordinates","230977","2020-10-21","18:00:00",""
"1548903","7.5796","0.0003","11.3035","0.0005","14.7799","0.0007","90","","92.183","0.002","90","","1265.36","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","EO-469-GIII","","","- C26 H44 N4 O4 -","- C26 H44 N4 O4 -","- C52 H88 N8 O8 -","2","1","","Cabanillas, Alfredo H.; Tena Pérez, Víctor; Maderuelo Corral, Santiago; Rosero Valencia, Diego Fernando; Martel Quintana, Antera; Ortega Doménech, Montserrat; Rumbero Sánchez, Ángel","Cybastacines A and B: Antibiotic Sesterterpenes from a Nostoc sp. Cyanobacterium","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00638","","","1.54178","CuKα","","0.0499","0.0429","","","0.1115","0.1212","","","","","","1.021","","","","has coordinates","206376","2020-10-21","18:00:00",""
"1548905","12.3892","0.001","40.276","0.005","12.9956","0.0007","90","","90.798","0.007","90","","6484","1","175","1","175","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 B K N2 O4 -","- C32 H37.75 B K N2 O4 -","- C256 H302 B8 K8 N16 O32 -","8","4","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.0999","0.0683","","","0.1631","0.1833","","","","","","1","","","","has coordinates","228636","2020-10-21","18:00:00",""
"1548913","8.1503","0.0006","16.4241","0.0013","12.805","0.0011","90","","99.016","0.003","90","","1692.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N6 O8 Ru -","- C32 H38 Cl2 N6 O8 Ru -","- C64 H76 Cl4 N12 O16 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","cis-Oxoruthenium complexes supported by chiral tetradentate amine (N4) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0688","0.0689","","","","","","1.055","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548939","10.4794","0.0008","7.0464","0.0006","13.4791","0.001","90","","100.094","0.005","90","","979.92","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C44 H46 N2 O4 Si2 -","2","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective RhII-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0774","0.0596","","","0.1657","0.2024","","","","","","1.269","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1549000","7.5406","0.0002","7.8875","0.0003","8.9868","0.0003","90","","95.198","0.003","90","","532.31","0.03","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 O4 S2 -","- C9 H12 O4 S2 -","- C18 H24 O8 S4 -","2","1","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0624","0.0624","","","","","","1.069","","","","has coordinates","230965","2020-10-21","18:00:00",""
"1549008","8.7269","0.0004","8.1173","0.0005","13.0392","0.0009","90","","94.329","0.007","90","","921.05","0.1","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Remy, Simon; Olivon, Florent; Desrat, Sandy; Blanchard, Florent; Eparvier, Véronique; Leyssen, Pieter; Neyts, Johan; Roussi, Fanny; Touboul, David; Litaudon, Marc","Structurally Diverse Diterpenoids from Sandwithia guyanensis","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b01025","","","1.54187","CuKα","","0.1217","0.0514","","","0.0991","0.1403","","","","","","1.031","","","","has coordinates","206732","2020-10-21","18:00:00",""
"1549009","13.2449","0.0019","10.3812","0.0014","14.78","0.0017","90","","93.224","0.007","90","","2029","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","2","","Remy, Simon; Olivon, Florent; Desrat, Sandy; Blanchard, Florent; Eparvier, Véronique; Leyssen, Pieter; Neyts, Johan; Roussi, Fanny; Touboul, David; Litaudon, Marc","Structurally Diverse Diterpenoids from Sandwithia guyanensis","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b01025","","","1.54187","CuKα","","0.3268","0.1103","","","0.2562","0.3781","","","","","","0.944","","","","has coordinates,has disorder","206733","2020-10-21","18:00:00",""
"1549038","10.561","0.006","5.156","0.003","12.504","0.007","90","","90.606","0.009","90","","680.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-[(4-Fluorophenyl)(methyl)amino]-3,4,5,6-tetrahydroxyhexan-2-one","1-Deoxy-1-(N-methyl-4-fluorophenylamino)-D-arabino-hexulose","","- C13 H18 F N O5 -","- C13 H18 F N O5 -","- C26 H36 F2 N2 O10 -","2","1","LH4033","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","1-Deoxy-1-(N-methyl-4-fluorophenylamino)-D-arabino-hexulose","IUCrData","2018","3","3","x180369","","10.1107/S2414314618003693","","","0.71073","MoKα","","0.0934","0.0421","","","0.0864","0.1003","","","","","","0.949","","","","has coordinates,has Fobs","206895","2020-10-21","18:00:00",""
"1549044","5.40542","0.00018","6.94898","0.00018","16.0701","0.0004","90","","95.864","0.003","90","","600.47","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C20 H32 I2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0278","0.0254","","","0.0629","0.0642","","","","","","1.075","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549050","8.6454","0.0001","9.463","0.0001","20.0392","0.0002","90","","96.753","0.0009","90","","1628.06","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O8 S -","- C34 H42 N4 O8 S -","- C68 H84 N8 O16 S2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0441","0.0417","","0.1063","0.1038","0.1063","","","","","","0.954","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549053","8.81","0.0001","9.7133","0.0002","21.7147","0.0004","90","","100.169","0.0016","90","","1829.03","0.06","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48.7 N4 O11.35 -","- C38 H48 N4 O11.348 -","- C76 H96 N8 O22.696 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0451","0.0411","","","0.1118","0.1144","","","","","","1.049","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549057","7.2565","0.0003","6.1232","0.0003","12.557","0.0006","90","","102.256","0.005","90","","545.23","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","0.71073","MoKα","","0.0338","0.0302","","","0.0722","0.0737","","","","","","1.059","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549061","7.4467","0.0002","6.20961","0.00016","12.5863","0.0004","90","","101.176","0.003","90","","570.97","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Br N O -","- C10 H16 Br N O -","- C20 H32 Br2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.038","0.0303","","","0.0716","0.0749","","","","","","1.045","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549062","9.0081","0.0001","9.3218","0.0001","19.4957","0.0002","90","","95.351","0.0009","90","","1629.95","0.03","160","","160","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O8 -","- C36 H38 N4 O8 -","- C72 H76 N8 O16 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0356","0.0344","","0.0984","0.0973","0.0984","","","","","","0.9838","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549085","14.775","0.001","19.9973","0.001","17.9098","0.0012","90","","109.105","0.005","90","","5000.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H75 B2 Li O3 -","- C53 H75 B2 Li O3 -","- C212 H300 B8 Li4 O12 -","4","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp3)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1458","0.0712","","","0.1404","0.167","","","","","","0.91","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549114","9.4116","0.0005","12.701","0.0008","9.727","0.0005","90","","95.377","0.005","90","","1157.62","0.11","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands vs. other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0846","0.0876","","","","","","0.992","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549119","9.2736","0.0002","13.2118","0.0003","9.817","0.0002","90","","95.22","0.002","90","","1197.8","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C36 H60 Cl2 F8 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands vs. other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0288","","","0.0636","0.0655","","","","","","1.023","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549199","13.003","0.003","26.767","0.005","14.013","0.003","90","","103.41","0.03","90","","4744.3","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H76 Fe4 K4 N24 O11 -","- C96 H76 Fe4 K4 N24 O11 -","- C192 H152 Fe8 K8 N48 O22 -","2","1","","Singh, Alok Kumar; Pandey, Gajanan; Singh, Kaman; Kumar, Abhinav; Trivedi, Manoj; Singh, Vikram","A ternary Fe(ii)-terpyridyl complex-based single platform for reversible multiple-ion recognition.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6386","6393","10.1039/c8dt00539g","","","0.71073","MoKα","","0.1767","0.0833","","","0.1023","0.1404","","","","","","1.001","","","","has coordinates,has disorder","229879","2020-10-21","18:00:00",""
"1549208","7.7445","0.0003","7.536","0.0003","9.9477","0.0004","90","","92.123","0.004","90","","580.17","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 O5 S -","- C9 H16 O5 S -","- C18 H32 O10 S2 -","2","1","","Pisareva, A. V.; Shilov, G. V.; Karelin, A. I.; Pisarev, R. V.; Shilova, I. A.; Dobrovolsky, Yu A.; Aldoshin, S. M.","Synthesis, structure and proton conductivity of 2,4,5-trimethylbenzenesulfonic acid dihydrate","New Journal of Chemistry","2018","42","9","7428","","10.1039/C7NJ05068B","","","0.7107","MoKα","","0.0337","0.0323","","","0.0789","0.0809","","","","","","1.094","","","","has coordinates","230440","2020-10-21","18:00:00",""
"1549236","11.269","0.0004","7.3358","0.0003","14.2605","0.0005","90","","101.418","0.001","90","","1155.54","0.07","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 B Br2 N -","- C27 H22 B Br2 N -","- C54 H44 B2 Br4 N2 -","2","1","","Zhang, Weidong; Li, Guoping; Xu, Letian; Zhuo, Yue; Wan, Wenming; Yan, Ni; He, Gang","9,10-Azaboraphenanthrene-containing small molecules and conjugated polymers: synthesis and their application in chemodosimeters for the ratiometric detection of fluoride ions.","Chemical science","2018","9","19","4444","4450","10.1039/c8sc00688a","","","0.71073","MoKα","","0.0304","0.0271","","","0.0646","0.0664","","","","","","1.051","","","","has coordinates","228743","2020-10-21","18:00:00",""
"1549269","5.4738","0.0009","16.81","0.003","14.183","0.002","90","","95.627","0.007","90","","1298.8","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 Br N2 O3 -","- C28 H33 Br N2 O3 -","- C56 H66 Br2 N4 O6 -","2","1","","Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2018","9","18","4348","4351","10.1039/c8sc00808f","","","0.71075","MoKα","","0.0891","0.0596","","","0.128","0.1407","","","","","","1.018","","","","has coordinates","228821","2020-10-21","18:00:00",""
"1549271","10.2041","0.0002","12.0967","0.0002","10.8841","0.0002","90","","109.609","0.002","90","","1265.57","0.04","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C64 H66 N2 O6 -","2","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0738","0.0742","","","","","","1.081","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549338","6.612","0.0006","7.8997","0.0007","15.4119","0.0013","90","","92.455","0.003","90","","804.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 O2 S -","- C19 H21 O2 S -","- C38 H42 O4 S2 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their in situ addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.084","0.0824","","","0.2256","0.2279","","","","","","1.044","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549339","12.5495","0.0006","6.3424","0.0003","13.2506","0.0006","90","","92.671","0.002","90","","1053.52","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 B O4 -","- C24 H27 B O4 -","- C48 H54 B2 O8 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their in situ addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.0267","0.026","","","0.0676","0.0682","","","","","","1.057","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549344","7.4526","0.0013","5.8441","0.001","16.278","0.003","90","","101.808","0.002","90","","694","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-di(4-bromophenyl)propane","1,3-Bis(4-bromophenyl)propane","","- C15 H14 Br2 -","- C15 H14 Br2 -","- C30 H28 Br4 -","2","1","BV4016","Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T.","1,3-Bis(4-bromophenyl)propane","IUCrData","2018","3","4","x180563","","10.1107/S2414314618005631","","","0.71073","MoKα","","0.0246","0.0231","","","0.0544","0.0548","","","","","","1.376","","","","has coordinates,has Fobs","207575","2020-10-21","18:00:00",""
"1549354","12.7853","0.0003","7.0167","0.0002","15.4215","0.0004","90","","95.718","0.001","90","","1376.59","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-[(Oxiran-2-yl)methyl]-3-phenylquinoxalin-2(1H)-one","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","HB4230","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","IUCrData","2018","3","4","x180610","","10.1107/S2414314618006107","","","1.54178","CuKα","","0.0894","0.0623","","","0.1312","0.147","","","","","","1.041","","","","has coordinates,has Fobs","207585","2020-10-21","18:00:00",""
"1549372","10.77117","0.0005","11.01902","0.00013","11.43023","0.00026","90","","117.742","0.00023","90","","1200.68","0.06","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","ROY R05","2-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","2","","Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai; Xu, Wenqian; Dooryhee, Eric; Nichols, Shane M.; Ward, Michael D.; Kahr, Bart; Zhu, Qiang","ROY revisited, again: the eighth solved structure.","Faraday discussions","2018","211","0","477","491","10.1039/c8fd00039e","powder diffraction","x-ray","0.18342","synchrotron","","","","","","","","","1.783","0.208","","","","","","","has coordinates","287933","2023-12-01","14:27:52",""
"1549398","23.057","0.002","13.6098","0.0012","23.378","0.002","90","","110.977","0.002","90","","6849.8","1","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H84 Co I3 N6 O6 S6 -","- C54 H84 Co I3 N6 O6 S6 -","- C216 H336 Co4 I12 N24 O24 S24 -","4","2","","Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.","The robust, readily available cobalt(iii) trication [Co(NH2CHPhCHPhNH2)3]3+ is a progenitor of broadly applicable chirality and prochirality sensing agents.","Chemical science","2018","9","22","5087","5099","10.1039/c8sc01510d","","x-ray","0.71073","MoKα","","0.0985","0.0813","","","0.1382","0.1497","","","","","","1.221","","","","has coordinates,has disorder","228648","2020-10-21","18:00:00",""
"1549404","12.646","0.002","8.4619","0.0016","17.452","0.003","90","","90.459","0.005","90","","1867.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C88 H80 N16 O8 -","4","2","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.1385","0.0607","","","0.1164","0.1516","","","","","","0.966","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549405","7.731","0.0003","8.2071","0.0003","11.5044","0.0004","90","","107.779","0.0011","90","","695.08","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp3)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0691","0.0692","","","","","","1.053","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549407","5.0463","0.0003","10.357","0.0005","13.2269","0.0007","90","","92.007","0.002","90","","690.87","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C32 H28 Cl2 N2 O4 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp3)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0231","0.023","","","0.0634","0.0635","","","","","","1.065","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549414","9.1247","0.0008","11.1474","0.0011","11.9275","0.0012","90","","90.442","0.003","90","","1213.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H12 B Br F3 N -","- C11 H12 B Br F3 N -","- C44 H48 B4 Br4 F12 N4 -","4","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) via trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0384","0.0389","","","","","","0.908","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549438","8.6189","0.0002","8.0477","0.0002","8.6853","0.0001","90","","101.24","0.002","90","","590.88","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Blue light-promoted photolysis of aryldiazoacetates.","Chemical science","2018","9","22","5112","5118","10.1039/c8sc01165f","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0716","0.0719","","","","","","1.106","","","","has coordinates","228642","2020-10-21","18:00:00",""
"1549500","22.4564","0.0008","13.5405","0.0005","25.1871","0.0009","90","","91.785","0.002","90","","7654.9","0.5","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","1,10-phenanthrolinedithiino[2,3-b]quinoxaline-bis(phendiylpyridine)iridium(III)-hexafluorophosphate","","- C42.5 H27 Cl F6 Ir N6 P S2 -","- C42.5 H27 Cl F6 Ir N6 P S2 -","- C340 H216 Cl8 F48 Ir8 N48 P8 S16 -","8","4","","Erdmann, E.; Villinger, A.; König, B; Seidel, W. W.","1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","8","1056","1067","10.1039/c8pp00068a","","","0.71073","MoKα","","0.0995","0.0512","","","0.0953","0.1116","","","","","","1.018","","","","has coordinates,has disorder","230888","2020-10-21","18:00:00",""
"1549591","10.664","0.003","10.372","0.002","14.789","0.004","90","","104.778","0.006","90","","1581.7","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","ethyl (R)-6-methoxy-2-oxo-4-(1-tosyl-1H-indol-2-yl)-3,4-dihydro-2H-naphtho[2,1-e][1,3]oxazine-4-carboxylate","","","- C32 H27 Cl3 N2 O7 S -","- C32 H27 Cl3 N2 O7 S -","- C64 H54 Cl6 N4 O14 S2 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0361","0.0318","","","0.0794","0.0814","","","","","","1.041","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549592","5.8577","0.0016","14.389","0.004","9.621","0.003","90","","94.654","0.006","90","","808.2","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl (S)-(1-(3-bromophenyl)-2-hydroxy-1-(5-methoxyfuran-2-yl)ethyl)carbamate","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0297","0.0248","","","0.0504","0.0508","","","","","","0.826","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549641","14.151","0.003","14.717","0.004","16.184","0.003","90","","111.316","0.006","90","","3139.9","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O4 -","- C35 H41 N2 O4 -","- C140 H164 N8 O16 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0722","0.0679","","","0.1771","0.1835","","","","","","0.951","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549642","11.571","0.003","25.09","0.006","11.915","0.004","90","","90","","90","","3459.1","1.7","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 N2 O6 S -","- C36 H43 N2 O6 S -","- C144 H172 N8 O24 S4 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.128","0.0701","","","0.1512","0.1747","","","","","","0.933","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549683","9.7198","0.0006","18.6592","0.0011","14.0802","0.0012","90","","90.161","0.007","90","","2553.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl3 N8 O5 -","- C53 H53 Cl3 N8 O5 -","- C106 H106 Cl6 N16 O10 -","2","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0884","0.0614","","","0.1542","0.1719","","","","","","1.034","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549684","15.5782","0.0006","18.4753","0.0005","24.4315","0.0007","90","","91.976","0.003","90","","7027.5","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H87.5 N8 O11.75 -","- C72 H87.5 N8 O11.75 -","- C288 H350 N32 O47 -","4","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.1089","0.0579","","","0.1297","0.1572","","","","","","0.981","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549810","12.6071","0.0003","13.6253","0.0004","20.3659","0.0006","90","","100.362","0.002","90","","3441.31","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H40 B2 Cl2 F30 Fe O2 -","- C71 H40 B2 Cl2 F30 Fe O2 -","- C142 H80 B4 Cl4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C6F5)3 in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0681","0.0492","","","0.0911","0.0969","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549868","10.7684","0.0011","9.0383","0.0009","10.859","0.0011","90","","118.567","0.003","90","","928.22","0.16","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl N3 O2 Pd -","- C20 H20 Cl N3 O2 Pd -","- C40 H40 Cl2 N6 O4 Pd2 -","2","1","","Wu, Xiaolu; Yang, Zhi; Yan, Xinwen; Zhang, Pengfei; Wang, Lin; Guo, Ge; Dong, Yuping; Li, Xiaofang","Polymerization of 1-chloro-2-phenylacetylene by cationic monoanionic tridentate (S,S)-bis(oxazolinylphenyl)amido-ligated palladium catalysts: is it a coordination‒insertion mechanism?","Polymer Chemistry","2018","9","39","4856","","10.1039/C8PY00903A","","","0.71073","MoKα","","0.0451","0.0428","","","0.1105","0.1133","","","","","","1.047","","","","has coordinates,has disorder","230959","2020-10-21","18:00:00",""
"1549920","8.7916","0.0002","5.6255","0.0001","14.7562","0.0003","90","","95.407","0.002","90","","726.55","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H10 N3 S2 -","- C17 H11 N3 S2 -","- C34 H22 N6 S4 -","2","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H2S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0329","0.0311","","","0.0814","0.0834","","","","","","1.037","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549943","4.3647","0.0004","11.5018","0.001","12.3118","0.0011","90","","94.065","0.003","90","","616.52","0.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C30 H18 F6 O4 -","2","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0536","0.0415","","","0.093","0.0981","","","","","","1.044","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549954","12.1481","0.001","29.298","0.002","12.605","0.001","90","","94.0574","0.0015","90","","4475.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C182.4 H204 Au8 Cl8 O3.6 Sb8 -","4","2","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au13 nanoclusters: syntheses, properties and facile conversion to GSH-protected Au25 nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0998","0.0786","","","0.193","0.2134","","","","","","1.08","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549964","5.7355","0.0001","16.4707","0.0003","10.5767","0.0002","90","","105.481","0.0009","90","","962.91","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N3 O3 -","- C23 H16 Br N3 O3 -","- C46 H32 Br2 N6 O6 -","2","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0359","0.03","","","0.0629","0.0653","","","","","","1.035","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1550049","16.5863","0.0017","14.4989","0.0015","22.708","0.002","90","","90.0586","0.0016","90","","5460.9","0.9","100","2","99.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C232 H232 B4 Dy4 F80 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0756","0.0721","","","0.181","0.1851","","","","","","1.069","","","","has coordinates","228845","2020-10-21","18:00:00",""
"1550058","12.093","0.001","14.8544","0.0012","13.2064","0.0015","90","","105.887","0.011","90","","2281.7","0.4","150","2","150.01","0.19","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.5 H30 N4 O2 Zn -","- C23.5 H30 N4 O2 Zn -","- C94 H120 N16 O8 Zn4 -","4","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.0824","0.0538","","","0.0725","0.08","","","","","","1.025","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550103","11.4733","0.0003","17.6286","0.0005","13.653","0.0004","90","","93.29","0.002","90","","2756.88","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_2, 6-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H33.5 N2 O7 -","- C124 H134 N8 O28 -","4","2","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0791","0.0607","","","0.154","0.1696","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550106","11.346","0.002","17.508","0.004","13.4","0.003","90","","98.15","0.03","90","","2635","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_Benzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C62 H67.84 N4 O11.72 -","- C62 H67.84 N4 O11.72 -","- C124 H135.68 N8 O23.44 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.126","0.0832","","","0.1481","0.1634","","","","","","1.056","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550118","11.246","0.01","17.607","0.016","13.523","0.013","90","","94.19","0.04","90","","2671","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-dihydroxybenzoic acid_Salt alloy","","","- C62 H68.91 N4 O13.03 -","- C62 H68.91 N4 O13.03 -","- C124 H137.82 N8 O26.06 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1804","0.0967","","","0.1676","0.1976","","","","","","1.038","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550122","11.237","0.005","17.571","0.006","13.374","0.006","90","","94.584","0.016","90","","2632.2","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C62 H67.8 N4 O12.63 -","- C62 H67.8 N4 O12.63 -","- C124 H135.6 N8 O25.26 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0744","0.053","","","0.1337","0.153","","","","","","1.067","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550133","7.4736","0.0001","20.0163","0.0002","8.2616","0.0001","90","","113.345","0.002","90","","1134.71","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C48 H64 O16 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","1.54184","CuKα","","0.0408","0.0396","","","0.1091","0.1098","","","","","","1.102","","","","has coordinates,has disorder","211694","2020-10-21","18:00:00",""
"1550135","11.1125","0.0004","8.0779","0.0003","13.1558","0.0005","90","","98.011","0.002","90","","1169.41","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O9 -","- C24 H32 O9 -","- C48 H64 O18 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","0.71073","MoKα","","0.0321","0.0305","","","0.0805","0.0821","","","","","","1.064","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550136","8.032","0.0003","6.3518","0.0002","16.1371","0.0006","90","","93.7797","0.0015","90","","821.49","0.05","100","2","99.97","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","1.54178","CuKα","","0.0249","0.0243","","","0.0616","0.062","","","","","","1.0956","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550168","10.1531","0.0002","14.0965","0.0003","23.1228","0.0006","90","","102.019","0.002","90","","3236.86","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 Ir O2 Si -","- C40 H43 Ir O2 Si -","- C160 H172 Ir4 O8 Si4 -","4","2","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0448","0.0409","","","0.0881","0.0912","","","","","","1.052","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550184","15.669","","9.057","","8.621","","90","","90.16","","90","","1223.44","","","","","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","","Potassium aluminium silicate","","- Al K O4 Si -","- Al6 K6 O24 Si6 -","- Al12 K12 O48 Si12 -","2","1","","Gregorkiewitz M; Li Y; White T J; Withers R L; Sobrados I","THE STRUCTURE OF ""ORTHORHOMBIC"" `KAlSiO~4~-O1': EVIDENCE FOR Al-Si ORDER FROM MAS NMR DATA COMBINED WITH RIETVELD REFINEMENT AND ELECTRON MICROSCOPY","The Canadian Mineralogist","2008","46","","1511","1526","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","211780","2020-10-21","18:00:00",""
"1550210","5.3887","0.0003","13.7558","0.0008","14.4712","0.0008","90","","91.531","0.003","90","","1072.31","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 B F2 N O4 -","- C25 H22 B F2 N O4 -","- C50 H44 B2 F4 N2 O8 -","2","1","","Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi","Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters","Chemical Science","2019","","","","","10.1039/C8SC04026E","","x-ray","1.54178","CuKα","","0.0303","0.0288","","","0.0718","0.0725","","","","","","1.042","","","","has coordinates","211872","2020-10-21","18:00:00",""
"1550217","10.1497","0.0012","5.1276","0.0004","11.6896","0.0016","90","","99.541","0.01","90","","599.95","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-[7-Hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","BT4076","Detert, Heiner; Schollmeyer, Dieter","The rel-R,R-enantiomer of 7-[7-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","IUCrData","2018","3","11","x181550","","10.1107/S241431461801550X","","","0.71073","MoKα","","0.0642","0.0433","","","0.0867","0.097","","","","","","1.046","","","","has coordinates,has Fobs","211897","2020-10-21","18:00:00",""
"1550256","6.6119","0.0002","12.8257","0.0002","7.7086","0.0002","90","","111.978","0.003","90","","606.2","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H19 B N2 O2 -","- C10 H19 B N2 O2 -","- C20 H38 B2 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0383","0.0359","","","0.0941","0.0958","","","","","","1.072","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550257","9.1072","0.0001","15.5083","0.0002","9.6094","0.0001","90","","95.872","0.001","90","","1350.08","0.03","149.9","0.2","149.9","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 B N2 O2 -","- C30 H41 B N2 O2 -","- C60 H82 B2 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0299","0.0284","","","0.0704","0.0712","","","","","","1.018","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550258","6.6658","0.0008","13.0852","0.001","7.7113","0.0008","90","","112.529","0.013","90","","621.28","0.12","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 B F2 N2 O2 -","- C10 H17 B F2 N2 O2 -","- C20 H34 B2 F4 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0649","0.0645","","","0.171","0.1715","","","","","","1.079","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550329","10.539","0.0002","19.2351","0.0003","10.9341","0.0002","90","","104.941","0.002","90","","2141.61","0.07","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H38 F6 Ir N2 O2 P3 -","- C49 H38 F6 Ir N2 O2 P3 -","- C98 H76 F12 Ir2 N4 O4 P6 -","2","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.0407","0.0366","","","0.0812","0.0821","","","","","","1.024","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550413","15.3747","0.0002","7.2401","0.0001","18.684","0.0003","90","","102.066","0.001","90","","2033.85","0.05","130","","130","","","","","","","","Titouan Royal","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C96 H88 F4 N4 O16 -","4","2","","Royal, Titouan; Baudoin, Olivier","Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement","Chemical Science","2019","","","","","10.1039/C8SC05058A","","","1.34143","GaKα","","0.0415","0.0379","","","0.1101","0.1133","","","","","","1.0474","","","","has coordinates","212911","2020-10-21","18:00:00",""
"1550414","15.3844","0.0008","7.2248","0.0004","18.6689","0.001","90","","102.133","0.0018","90","","2028.68","0.19","130","","130","","","","","","","","T. Royal","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C96 H88 F4 N4 O16 -","4","2","","Royal, Titouan; Baudoin, Olivier","Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement","Chemical Science","2019","","","","","10.1039/C8SC05058A","","","1.54178","CuKα","","0.0356","0.0351","","0.0884","0.088","0.0884","","","","","","0.8837","","","","has coordinates","212911","2020-10-21","18:00:00",""
"1550440","7.2588","0.0003","8.9399","0.0004","22.7927","0.0009","90","","95.818","0.004","90","","1471.47","0.11","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl N2 O -","- C7 H15 Cl N2 O -","- C42 H90 Cl6 N12 O6 -","6","3","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0735","0.0517","","0.1277","0.1171","0.1277","","","","","","0.9968","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550442","7.2902","0.0002","8.9099","0.0003","7.8789","0.0003","90","","107.024","0.003","90","","489.35","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl N2 O -","- C7 H15 Cl N2 O -","- C14 H30 Cl2 N4 O2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0358","0.0318","","0.0814","0.0785","0.0814","","","","","","0.9528","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550443","7.5269","0.0002","9.1017","0.0003","7.93","0.0003","90","","107.161","0.004","90","","519.08","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Br N2 O -","- C7 H15 Br N2 O -","- C14 H30 Br2 N4 O2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0338","0.0293","","0.072","0.0703","0.072","","","","","","0.9715","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550450","11.47377","0.00011","6.14747","0.00005","11.71348","0.00012","90","","111.978","0.0011","90","","766.164","0.014","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O5 -","- C15 H24 N2 O5 -","- C30 H48 N4 O10 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0655","0.0656","","","","","","1.044","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550454","5.72587","0.00004","20.83882","0.0001","6.92054","0.00004","90","","98.3547","0.0005","90","","816.998","0.008","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0611","0.0611","","","","","","1.068","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550456","6.07189","0.00012","32.9414","0.0004","7.1383","0.0001","90","","114.168","0.002","90","","1302.63","0.04","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N2 O9 -","- C24 H38 N2 O9 -","- C48 H76 N4 O18 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0429","0.0422","","","0.111","0.1114","","","","","","1.104","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550457","6.0401","0.0003","29.3553","0.0008","7.3828","0.0003","90","","112.806","0.005","90","","1206.7","0.1","159.99","0.1","160.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0787","0.0676","","","0.1823","0.1902","","","","","","1.092","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550477","9.8915","0.0004","21.5331","0.0009","11.5146","0.0005","90","","90.457","0.001","90","","2452.47","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H38 Al2 Cl2 -","- C21 H38 Al2 Cl2 -","- C84 H152 Al8 Cl8 -","4","2","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0437","0.0338","","","0.0741","0.0778","","","","","","1.012","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550480","7.599","0.0001","10.249","0.0001","10.488","0.0001","90","","109.1","0.001","90","","771.861","0.015","100.3","0.7","100.3","0.7","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C34 H34 Cl2 N4 O6 -","2","1","","Wu, Zijun; Wang, Jian","A tandem dearomatization/rearomatization strategy: enantioselective N-heterocyclic carbene-catalyzed α-arylation","Chemical Science","2019","","","","","10.1039/C8SC04601H","","x-ray","1.54184","CuKα","","0.0245","0.0244","","","0.0628","0.0629","","","","","","1.087","","","","has coordinates","213085","2020-10-21","18:00:00",""
"1550485","10.1607","0.0011","9.8856","0.0011","16.4378","0.0016","90","","102.188","0.01","90","","1613.9","0.3","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C67 H3 Cl O -","- C67 H3 Cl O -","- C134 H6 Cl2 O2 -","2","1","","Niu, Chuang; Zhou, Dian-Bing; Yang, Yong; Yin, Zheng-Chun; Wang, Guan-Wu","Retro Baeyer‒Villiger Reaction: Electrochemical Reduction of [60]Fullerene-Fused Lactones to [60]Fullerene-Fused Ketones","Chemical Science","2019","","","","","10.1039/C8SC05089A","","","1.54184","CuKα","","0.088","0.0714","","","0.202","0.223","","","","","","1.089","","","","has coordinates","213171","2020-10-21","18:00:00",""
"1550529","9.68936","0.00019","16.6569","0.0004","15.2343","0.0003","90","","94.933","0.002","90","","2449.63","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 N2 O7 S -","- C28 H24 N2 O7 S -","- C112 H96 N8 O28 S4 -","4","2","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.061","0.057","","","0.1522","0.1593","","","","","","1.026","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550532","9.9629","0.0002","10.4616","0.0002","18.5419","0.0003","90","","90.923","0.001","90","","1932.33","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","2","","Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark","Pd-Catalyzed Dearomative Arylborylation of Indoles","Chemical Science","2019","","","","","10.1039/C8SC05737K","","","1.54178","CuKα","","0.041","0.0401","","","0.1036","0.1049","","","","","","1.043","","","","has coordinates,has disorder","213332","2020-10-21","18:00:00",""
"1550575","6.4762","0.0006","7.8291","0.0007","18.9197","0.0017","90","","92.615","0.003","90","","958.28","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O2 P -","- C22 H29 O2 P -","- C44 H58 O4 P2 -","2","1","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0539","0.0432","","","0.084","0.0875","","","","","","1.037","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550580","9.6687","0.0007","8.1636","0.0005","11.2423","0.0008","90","","104.07","0.007","90","","860.75","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H17 Br N2 O S -","- C18 H17 Br N2 O S -","- C36 H34 Br2 N4 O2 S2 -","2","1","","JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine","Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines","Chemical Science","2019","","","","","10.1039/C8SC05581E","","x-ray","0.71073","MoKα","","0.0544","0.0418","","","0.0829","0.0874","","","","","","1.024","","","","has coordinates","213536","2020-10-21","18:00:00",""
"1550616","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550617","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550618","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550649","7.7981","0.001","7.2249","0.0008","8.9956","0.0011","90","","110.38","0.014","90","","475.09","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride]","","- C6 H15 Cl N Na O3 -","- C6 H15 Cl N Na O3 -","- C12 H30 Cl2 N2 Na2 O6 -","2","1","WM4096","Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus","The sodium chloride complex catena-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl","IUCrData","2019","4","2","x190238","","10.1107/S2414314619002384","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0412","0.0433","","","","","","0.703","","","","has coordinates,has Fobs","213816","2020-10-21","18:00:00",""
"1550665","10.0867","0.0001","15.69","0.0002","15.2941","0.0002","90","","105.464","0.001","90","","2332.82","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C83 H99 Mn4 N13 O25 -","- C83 H99 Mn4 N13 O25 -","- C83 H99 Mn4 N13 O25 -","1","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0473","0.0464","","","0.1312","0.1321","","","","","","1.057","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550701","9.6491","0.0007","12.1125","0.0009","9.7759","0.0006","90","","117.882","0.002","90","","1009.92","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C44 H38 Br2 N4 O6 -","2","1","","Putatunda, Salil; Alegre-Requena, Juan V; Meazza, Marta; Franc, Michael; Rohalova, Dominika; Vemuri, Pooja Y.; Císařová, Ivana; Herrera, Raquel P.; Rios, Ramon; Vesely, Jan","Proline Bulky Substituents Consecutively Act as Steric Hindrances and Directing Groups in a Michael/Conia-Ene Cascade Reaction under Synergistic Catalysis","Chemical Science","2019","","","","","10.1039/C8SC05258A","","","0.71073","MoKα","","0.0354","0.0289","","","0.0629","0.065","","","","","","1.072","","","","has coordinates","213944","2020-10-21","18:00:00",""
"1550707","29.4434","0.0014","30.9027","0.0014","33.2881","0.0015","90","","90.387","0.002","90","","30288","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C236.35 H284 N46.61 O54 Si8 Sr -","- C236.35 H284 N46.61 O54 Si8 Sr -","- C945.4 H1136 N186.44 O216 Si32 Sr4 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1608","0.1308","","","0.331","0.3598","","","","","","1.437","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550710","28.1","0.05","36.715","0.002","29.3334","0.0018","90","","98.061","0.003","90","","29964","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C222.52 H296 Ba N43.76 O51.5 Si8 -","- C222.534 H296 Ba N43.767 O51.5 Si8 -","- C890.136 H1184 Ba4 N175.068 O206 Si32 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1504","0.1184","","","0.306","0.3391","","","","","","1.299","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550712","29.5563","0.0008","30.8599","0.001","33.3264","0.001","90","","90.621","0.002","90","","30395.4","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C228.75 H322.25 Ba Cl5 N46 O54 Si8 -","- C228.75 H322.25 Ba Cl5 N46 O54 Si8 -","- C915 H1289 Ba4 Cl20 N184 O216 Si32 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1506","0.1087","","","0.289","0.334","","","","","","1.022","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550740","12.027","0.005","15.901","0.007","13.857","0.006","90","","91.391","0.009","90","","2649","2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 O5 P -","- C30 H37 O5 P -","- C120 H148 O20 P4 -","4","2","","Yang, Guohui; Li, Yao; Li, Xin; Cheng, Jin-Pei","Access to P-Chiral Phosphine Oxides by Enantioselective Allylic Alkylation of Bisphenols","Chemical Science","2019","","","","","10.1039/C8SC05439H","","","0.71073","MoKα","","0.1449","0.1225","","","0.3363","0.3641","","","","","","1.036","","","","has coordinates","214097","2020-10-21","18:00:00",""
"1550853","12.5496","0.0012","16.2449","0.0016","18.6655","0.0018","90","","103.896","0.003","90","","3693.9","0.6","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H55 B Cl N3 -","- C41 H55 B Cl N3 -","- C164 H220 B4 Cl4 N12 -","4","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1154","0.0607","","","0.0933","0.108","","","","","","0.976","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550872","9.37","0.0019","31.24","0.006","15.94","0.003","90","","91.6","0.03","90","","4664.1","1.6","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N2 P -","- C28 H29 N2 P -","- C224 H232 N16 P8 -","8","4","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0591","0.04","","","0.0702","0.075","","","","","","0.76","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550874","11.854","0.002","18.092","0.004","12.986","0.003","90","","116.13","0.03","90","","2500.4","1.1","210","","210","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H56 N4 Na2 P2 -","- C56 H56 N4 Na2 P2 -","- C112 H112 N8 Na4 P4 -","2","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.1177","0.0576","","","0.0587","0.0696","","","","","","0.83","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550881","5.7841","0.0004","12.278","0.0007","11.6933","0.0008","90","","102.57","0.007","90","","810.52","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C20 H11 Br O4 S -","- C20 H11 Br O4 S -","- C40 H22 Br2 O8 S2 -","2","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.0491","0.0347","","","0.0807","0.0887","","","","","","1.037","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550958","11.753","0.006","6.281","0.003","13.273","0.006","90","","101.939","0.009","90","","958.6","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H15 Br F5 N O2 -","- C19 H15 Br F5 N O2 -","- C38 H30 Br2 F10 N2 O4 -","2","1","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0376","0.0343","","","0.0617","0.0626","","","","","","0.697","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550965","12.3214","0.0012","8.4434","0.0008","20.5045","0.0017","90","","99.133","0.008","90","","2106.1","0.3","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O2.5 -","- C25 H27 N3 O2 -","- C100 H108 N12 O8 -","4","2","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","x-ray","0.71073","MoKα","","0.1865","0.0875","","","0.2126","0.2969","","","","","","1.064","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1551065","8.9968","0.0003","18.444","0.0008","9.3737","0.0004","90","","117.856","0.002","90","","1375.21","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl Fe N3 -","- C30 H34 Cl Fe N3 -","- C60 H68 Cl2 Fe2 N6 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.0823","0.0452","","","0.0805","0.091","","","","","","0.98","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551070","11.2225","0.001","6.4382","0.0006","14.0893","0.0013","90","","99.6595","0.0018","90","","1003.56","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O -","- C26 H23 N O -","- C52 H46 N2 O2 -","2","1","","Alexy, Eric J.; Fulton, Tyler J.; Zhang, Haiming; Stoltz, Brian M.","Palladium-catalyzed enantioselective decarboxylative allylic alkylation of fully substituted N-acyl indole-derived enol carbonates","Chemical Science","2019","","","","","10.1039/C9SC01726G","","","1.54178","CuKα","","0.0265","0.0265","","","0.0681","0.0682","","","","","","1.038","","","","has coordinates","215290","2020-10-21","18:00:00",""
"1551072","9.462","0.002","14.849","0.004","14.515","0.004","90","","108.674","0.005","90","","1932","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H29 Br N2 O4 S -","- C42 H29 Br N2 O4 S -","- C84 H58 Br2 N4 O8 S2 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1443","0.0767","","","0.1764","0.1943","","","","","","1.078","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551074","15.033","0.005","8.026","0.002","18.952","0.006","90","","93.392","0.006","90","","2282.6","1.2","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H33 Br N2 O4 S -","- C48 H33 Br N2 O4 S -","- C96 H66 Br2 N4 O8 S2 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1054","0.064","","","0.1739","0.206","","","","","","0.994","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551075","8.5449","0.0016","11.993","0.002","13.598","0.002","90","","104.922","0.003","90","","1346.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 Br N2 O2 -","- C35 H25 Br N2 O2 -","- C70 H50 Br2 N4 O4 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.0535","0.0368","","","0.0799","0.0859","","","","","","0.963","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551083","6.9109","0.0007","9.9938","0.0009","8.2507","0.0008","90","","92.496","0.005","90","","569.3","0.09","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.041","0.0387","","","0.0989","0.1018","","","","","","1.073","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551084","6.1412","0.0002","6.7002","0.0003","15.7738","0.0006","90","","94.466","0.002","90","","647.08","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.0398","0.0392","","","0.1028","0.1039","","","","","","1.05","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551103","9.6559","0.0002","29.8416","0.0006","30.1248","0.0007","90","","98.54","0.001","90","","8584.1","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C256 H608 N32 O96 -","32","16","LQ5021","Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.","Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates","IUCrJ","2019","6","4","","","10.1107/S2052252519004755","","","1.54178","CuKα","","0.0641","0.0482","","","0.1206","0.1344","","","","","","1.012","","","","has coordinates","215440","2020-10-21","18:00:00",""
"1551181","14.5442","0.0002","14.2345","0.0002","14.746","0.0002","90","","106.978","0.002","90","","2919.8","0.08","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H53 Cl6 N5 O18 S2 -","- C51 H53 Cl6 N5 O18 S2 -","- C102 H106 Cl12 N10 O36 S4 -","2","1","","Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.","De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa","Chemical Science","2019","","","","","10.1039/C9SC01405E","","x-ray","0.71073","MoKα","","0.0611","0.0552","","","0.1421","0.1458","","","","","","1.039","","","","has coordinates","215616","2020-10-21","18:00:00",""
"1551202","9.8763","0.0006","13.0177","0.0009","10.6775","0.0007","90","","100.843","0.0019","90","","1348.26","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Magnesium isonicotinate","'Magnesium 4-pyridine carboxylate'","","- C27 H23 Mg2 N5 O9 -","- C27 H23 Mg2 N5 O9 -","- C54 H46 Mg4 N10 O18 -","2","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.0514","0.0502","","","0.1362","0.138","","","","","","1.044","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551262","5.3927","0.0004","31.353","0.002","7.8011","0.0006","90","","99.399","0.008","90","","1301.28","0.16","292.44","0.11","292.44","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","Sulfamethoxazole nitrate","","- C10 H12 N4 O6 S -","- C10 H12 N4 O6 S -","- C40 H48 N16 O24 S4 -","4","2","","de Moura Oliveira, Carlos H.; C. de Melo, Cristiane; Doriguetto, Antonio C.","Sulfamethoxazole salts: crystal structures, conformations and solubility","New Journal of Chemistry","2019","43","26","10250","","10.1039/C9NJ00586B","","x-ray","0.71073","MoKα","","0.0565","0.0503","","","0.1307","0.1364","","","","","","1.075","","","","has coordinates","224795","2020-10-21","18:00:00",""
"1551264","9.6261","0.0006","9.0444","0.0005","11.6284","0.001","90","","112.735","0.008","90","","933.73","0.12","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn-GGH","","- C12.73 H19.38 N5.91 O4.91 Zn -","- C12.73 H19.37 N5.91 O4.91 Zn -","- C25.46 H38.74 N11.82 O9.82 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","","0.71073","MoKα","","0.0788","0.0598","","","0.1535","0.1647","","","","","","1.052","","","","has coordinates,has disorder","215743","2020-10-21","18:00:00",""
"1551265","9.5645","0.0005","9.0405","0.0005","10.4571","0.001","90","","105.264","0.008","90","","872.31","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H19 N5 O5 S Zn -","- C12 H19 N5 O5 S Zn -","- C24 H38 N10 O10 S2 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1564","0.0964","","","0.2043","0.2393","","","","","","1.038","","","","has coordinates","215744","2020-10-21","18:00:00",""
"1551266","9.5895","0.0002","9.0619","0.0002","11.112","0.0004","90","","106.403","0.003","90","","926.32","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13.73 H21.7 N6.24 O5.24 Zn -","- C13.729 H21.701 N6.243 O5.243 Zn -","- C27.458 H43.402 N12.486 O10.486 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0417","0.0384","","","0.1","0.1023","","","","","","1.063","","","","has coordinates,has disorder","215745","2020-10-21","18:00:00",""
"1551267","9.6138","0.001","9.102","0.0008","20.131","0.003","90","","99.356","0.012","90","","1738.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N10 O8 Zn2 -","- C20 H26 N10 O8 Zn2 -","- C40 H52 N20 O16 Zn4 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","","0.71073","MoKα","","0.1068","0.0783","","","0.1849","0.2034","","","","","","1.06","","","","has coordinates","215746","2020-10-21","18:00:00",""
"1551268","9.5741","0.0003","9.055","0.0002","20.4299","0.0007","90","","94.87","0.003","90","","1764.75","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N5 O5 Zn -","- C11 H16 N5 O5 Zn -","- C44 H64 N20 O20 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.1115","0.1178","","","","","","1.002","","","","has coordinates,has disorder","288248","2023-12-12","12:55:26",""
"1551269","9.6206","0.0016","9.0406","0.0012","20.395","0.005","90","","95.22","0.02","90","","1766.5","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 Zn -","- C10 H13 N5 O4 Zn -","- C40 H52 N20 O16 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1467","0.0958","","","0.2322","0.261","","","","","","1.025","","","","has coordinates,has disorder","215748","2020-10-21","18:00:00",""
"1551270","9.6861","0.0004","8.9799","0.0003","11.4935","0.0006","90","","106.106","0.005","90","","960.47","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 N6 O8 Zn -","- C13 H26 N6 O8 Zn -","- C26 H52 N12 O16 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0958","0.101","","","","","","1.051","","","","has coordinates","215749","2020-10-21","18:00:00",""
"1551271","9.5727","0.001","9.023","0.0005","11.7432","0.0014","90","","113.377","0.013","90","","931.05","0.18","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N5 O6 Zn -","- C15 H17 N5 O6 Zn -","- C30 H34 N10 O12 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.074","0.0589","","","0.1394","0.1489","","","","","","1.054","","","","has coordinates","215750","2020-10-21","18:00:00",""
"1551272","9.5538","0.0004","8.7322","0.0004","11.8097","0.0006","90","","110.473","0.005","90","","923","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N5 O6 Zn -","- C15 H19 N5 O6 Zn -","- C30 H38 N10 O12 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0495","0.0406","","","0.0956","0.1","","","","","","1.062","","","","has coordinates","215751","2020-10-21","18:00:00",""
"1551273","9.5309","0.0006","9.0153","0.0005","11.0339","0.001","90","","108.349","0.008","90","","899.87","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N5 O5 Zn -","- C14 H21 N5 O5 Zn -","- C28 H42 N10 O10 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1222","0.0726","","","0.1095","0.1248","","","","","","1.017","","","","has coordinates","215752","2020-10-21","18:00:00",""
"1551274","7.2589","0.0008","9.1136","0.0006","19.0252","0.0011","90","","90.887","0.007","90","","1258.46","0.18","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N5 O4.5 Zn -","- C10 H14 N5 O4.5 Zn -","- C40 H56 N20 O18 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1537","0.0809","","","0.1752","0.2106","","","","","","1.02","","","","has coordinates","215753","2020-10-21","18:00:00",""
"1551275","9.5615","0.001","9.0515","0.0013","10.4586","0.0015","90","","105.318","0.014","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H19 N5 O5 S Zn -","- C12 H19 N5 O5 S Zn -","- C24 H38 N10 O10 S2 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0852","0.0682","","","0.1674","0.1784","","","","","","1.049","","","","has coordinates","215754","2020-10-21","18:00:00",""
"1551276","9.602","0.004","9.035","0.003","11.675","0.006","90","","112.41","0.05","90","","936.4","0.8","240","0.1","240","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 Zn -","- C10 H13 N5 O4 Zn -","- C20 H26 N10 O8 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","1.54184","CuKα","","0.1664","0.1235","","","0.3175","0.3551","","","","","","1.218","","","","has coordinates","215755","2020-10-21","18:00:00",""
"1551279","7.8209","0.0006","6.9066","0.0008","8.6288","0.0006","90","","100.372","0.007","90","","458.48","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Br F O -","- C10 H8 Br F O -","- C20 H16 Br2 F2 O2 -","2","1","","Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Enantioselective photoredox dehalogenative protonation","Chemical Science","2019","","","","","10.1039/C9SC02000D","","","1.54184","CuKα","","0.041","0.0342","","","0.0855","0.0922","","","","","","1.064","","","","has coordinates","215764","2020-10-21","18:00:00",""
"1551307","10.205","0.014","27.45","0.02","11.97","0.016","90","","103.46","0.05","90","","3261","7","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H77 F9 N4 O13 S3 Sc -","- C54 H77 F9 N4 O13 S3 Sc -","- C108 H154 F18 N8 O26 S6 Sc2 -","2","1","","Wu, Wangbin; Cao, Weidi; Hu, Linfeng; Su, Zhishan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Baeyer-Villiger oxidation: classical and parallel kinetic resolution of 3-substituted cyclohexanones and desymmetrization of meso-disubstituted cycloketones","Chemical Science","2019","","","","","10.1039/C9SC01563A","","","0.71073","MoKα","","0.1552","0.0971","","","0.2454","0.2957","","","","","","1.047","","","","has coordinates","215796","2020-10-21","18:00:00",""
"1551313","4.957","0.003","5.007","0.004","30.6","0.02","90","","92.98","0.008","90","","758.5","0.9","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H27 N O6 -","- C13 H27 N O6 -","- C26 H54 N2 O12 -","2","1","","Chalard, Anaïs; Joseph, Pierre; Souleille, Sandrine; Lonetti, Barbara; Saffon-Merceron, Nathalie; Loubinoux, Isabelle; Vaysse, Laurence; Malaquin, Laurent; Fitremann, Juliette","Wet spinning and radial self-assembly of a carbohydrate low molecular weight gelator into well organized hydrogel filaments.","Nanoscale","2019","11","32","15043","15056","10.1039/c9nr02727k","","","0.71073","MoKα","","0.1119","0.0784","","","0.1556","0.168","","","","","","1.101","","","","has coordinates","224661","2020-10-21","18:00:00",""
"1551355","7.4858","0.0004","21.374","0.0012","21.5083","0.0013","90","","91.545","0.002","90","","3440.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-((S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-2-fluoro- N,N-dimethylpropan-1-aminium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C38 H34 F2 N2 O9 -","- C38 H34 F2 N2 O9 -","- C152 H136 F8 N8 O36 -","4","2","","Pauline Adler; Christopher J. Teskey; Daniel Kaiser; Marion Holy; Harald H. Sitte; Nuno Maulide","Alpha-Fluorination of carbonyls with nucleophilic fluorine","Nature Chemistry","2019","11","","329","334","10.1038/s41557-019-0215-z","","x-ray","0.71073","MoKα","","0.1032","0.0809","","","0.1755","0.1895","","","","","","1.071","","","","has coordinates,has disorder","215873","2020-10-21","18:00:00",""
"1551359","10.7688","0.0003","16.7429","0.0004","15.5965","0.0004","90","","101.666","0.0007","90","","2753.97","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H37 O8.5 -","- C29 H37 O8.5 -","- C116 H148 O34 -","4","2","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0467","0.0438","","","0.1094","0.1122","","","","","","1.096","","","","has coordinates,has disorder","279817","2022-12-09","07:50:21",""
"1551398","10.5311","0.0001","6.7935","0.0001","10.9017","0.0001","90","","112.687","0.001","90","","719.593","0.015","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0705","0.0706","","","","","","1.045","","","","has coordinates","215927","2020-10-21","18:00:00",""
"1551408","8.217","0.0002","7.7716","0.0002","13.2349","0.0003","90","","90.843","0.002","90","","845.08","0.04","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Teng, Qi; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes","Chemical Science","2019","","","","","10.1039/C9SC02341K","","x-ray","1.54184","CuKα","","0.0456","0.0424","","","0.109","0.1187","","","","","","1.058","","","","has coordinates","215939","2020-10-21","18:00:00",""
"1551419","10.5002","0.0007","10.3073","0.001","16.5868","0.0017","90","","93.853","0.008","90","","1791.1","0.3","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H50 N2 O11 -","- C37 H50 N2 O11 -","- C74 H100 N4 O22 -","2","1","","Russell R. A. Kitson; Chuan-Hsin Chang; Rui Xiong; Huw E. L. Williams; Adrienne L. Davis; William Lewis; Donna L. Dehn; David Siegel; S. Mark Roe; Chrisostomos Prodromou; David Ross; Christopher J. Moody","Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90","Nature Chemistry","2013","5","","307","314","10.1038/nchem.1596","","","1.5418","CuKα","","0.1233","0.0844","","","0.1962","0.2266","","","","","","1.056","","","","has coordinates","215957","2020-10-21","18:00:00",""
"1551549","5.4232","0.0004","14.1405","0.0006","7.5318","0.0004","90","","94.198","0.005","90","","576.04","0.06","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(4-fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone","","- C12 H9 F O S2 -","- C12 H9 F O S2 -","- C24 H18 F2 O2 S4 -","2","1","","NAGARAJU, S.; SRIDHAR, M. A.; SREENATHA, N. R.; PRADEEPA KUMARA, C. S.; SADASHIVA, M. P.","Crystal Structure of (4-Fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone","X-ray Structure Analysis Online","2018","34","0","13","","10.2116/xraystruct.34.13","","","0.71073","MoKα","","0.0363","0.0337","","","0.0806","0.083","","","","","","1.044","","","","has coordinates","216159","2020-10-21","18:00:00",""
"1551598","6.345","0.002","9.631","0.004","7.805","0.003","90","","112.462","0.005","90","","440.8","0.3","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C20 H24 N4 O2 -","2","1","","MITSUHASHI, Ryoji; UEDA, Takaaki; HOSOYA, Satoshi; MIKURIYA, Masahiro","Synthesis and Crystal Structure of (R)-2-(4-Methylimidazolin-2-yl)phenol","X-ray Structure Analysis Online","2016","32","0","59","","10.2116/xraystruct.32.59","","","0.71073","MoKα","","0.0438","0.0346","","","0.0746","0.0787","","","","","","1.02","","","","has coordinates","216208","2020-10-21","18:00:00",""
"1551654","6.0636","0.0004","14.2351","0.0009","14.6751","0.0008","90","","101.68","0.002","90","","1240.47","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H43 N O4 -","- C26 H43 N O4 -","- C52 H86 N2 O8 -","2","1","","Lopez-LEZAMA, Juan; Soriano-GARCIA, Manuel; Valencia-ISLAS, Norma A.; CABEZA, Marisa","Crystal Structure and Synthesis of N-cyclohexyl-3^|^beta;-hydroxyandrost-5,16-diene-17-carboxamide dihydrate","X-ray Structure Analysis Online","2014","30","0","59","","10.2116/xraystruct.30.59","","","0.71073","MoKα","","0.1198","0.0424","","","0.0529","0.0716","","","","","","0.806","","","","has coordinates","216265","2020-10-21","18:00:00",""
"1551710","18.7975","0.0012","15.3248","0.0009","24.378","0.002","90","","108.058","0.008","90","","6676.6","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C300 H220 Cl20 O40 -","20","10","","GUPTA, Vivek K.; KAPOOR, Kamini; KUMAR, Sunil; DHAR, Kanahya Lal","Multiple Molecules in the Crystallographic Asymmetric Unit of (Z)-3-(3-Chlorophenyl)-2-phenyl acrylic acid","X-ray Structure Analysis Online","2012","28","","9","","10.2116/xraystruct.28.9","","","0.71073","MoKα","","0.1733","0.0792","","","0.1881","0.2387","","","","","","0.95","","","","has coordinates","216322","2020-10-21","18:00:00",""
"1551738","7.917","0.0006","10.7305","0.0006","10.4145","0.0008","90","","109.246","0.009","90","","835.3","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,10-dimethyl-1-hydroxy-3,11,13-tribromo -hexahydroazulino[6,7-b] furan-4,12-dione","","- C15 H17 Br3 O4 -","- C15 H17 Br3 O4 -","- C30 H34 Br6 O8 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; SHAH, Bhahwal A.; ANDOTRA, Samar S.; TANEJA, Subhash C.","Crystal Structure of 3,8-Dibromo-3-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-6a-hydroxy-6,9a-dimethylazuleno[4,5-b]furan-2,9-dione—A Sesquiterpene Lactone","X-ray Structure Analysis Online","2011","27","","67","","10.2116/xraystruct.27.67","","","0.71073","MoKα","","0.0644","0.0479","","","0.1064","0.1131","","","","","","1.001","","","","has coordinates","216350","2020-10-21","18:00:00",""
"1551789","7.1172","0.0016","15.099","0.002","7.5965","0.0018","90","","97.261","0.002","90","","809.8","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 O3 S -","- C14 H18 N4 O3 S -","- C28 H36 N8 O6 S2 -","2","1","","TAI, Xishi; FENG, Yimin; LIANG, Zupei","Crystal Structure of N′-(2-Acetyl-3-methylpyrazine)-4-toluene-sulfonylhydrazide","X-ray Structure Analysis Online","2009","25","","17","","10.2116/xraystruct.25.17","","","0.71073","MoKα","","0.032","0.0302","","","0.0762","0.0784","","","","","","1.068","","","","has coordinates","216401","2020-10-21","18:00:00",""
"1551799","9.808","0.009","14.308","0.013","10.951","0.01","90","","103.075","0.015","90","","1497","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H39 Cl3 Cu2 N6 O15 -","- C16 H39 Cl3 Cu2 N6 O15 -","- C32 H78 Cl6 Cu4 N12 O30 -","2","1","","KIM, Youngmee; KIM, Junghee","Crystal Structure of Dinuclear Cu(II) Complex of 1,4-Di(1,4,7-triazonan-1-yl)butan-2-ol","X-ray Structure Analysis Online","2009","25","","7","","10.2116/xraystruct.25.7","","","0.71073","MoKα","","0.1004","0.082","","","0.2046","0.2219","","","","","","0.975","","","","has coordinates","216411","2020-10-21","18:00:00",""
"1551806","4.3803","0.0015","10.909","0.004","11.601","0.004","90","","99.11","0.03","90","","547.4","0.3","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C18 H26 N10 O8 -","2","1","","KAWAMURA, Tomoko; HIRAYAMA, Noriaki","Crystal Structure of Ganciclovir","X-ray Structure Analysis Online","2009","25","","51","","10.2116/xraystruct.25.51","","","1.54187","CuKα","","","0.0583","","","","0.0561","","","","","","0.826","","","","has coordinates","216419","2020-10-21","18:00:00",""
"1551808","10.887","0.003","4.663","0.001","15.784","0.003","90","","103.09","0.02","90","","780.5","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-1-[1-methylpyrrol-2-yl)acetyl]-4-[(1-phenylethyl)semicarbazide","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C32 H40 N8 O4 -","2","1","","PITUCHA, Monika; RZACZYNSKA, Zofia; MAZUR, Liliana","Synthesis and Structural Studies of (R)-(+)-1-[(1-Methylpyrrol-2-yl)acetyl]-4-(1-phenylethyl)semicarbazide","X-ray Structure Analysis Online","2009","25","","67","","10.2116/xraystruct.25.67","","","0.71073","MoKα","","0.1979","0.0568","","","0.0904","0.1247","","","","","","0.969","","","","has coordinates","216421","2020-10-21","18:00:00",""
"1551809","9.702","0.002","11.936","0.003","13.977","0.004","90","","104.677","0.001","90","","1565.8","0.7","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H52 O2 -","- C38 H52 O2 -","- C76 H104 O4 -","2","1","","KUBO, Kanji; TSUJI, Kazuki; MATSUMOTO, Taisuke; MORI, Akira","Crystal Structure of Cholesteryl 1-Naphthoate","X-ray Structure Analysis Online","2009","25","","29","","10.2116/xraystruct.25.29","","","0.7107","MoKα","","","0.0611","","","","0.1481","","","","","","1.13","","","","has coordinates","216422","2020-10-21","18:00:00",""
"1551836","10.778","0.0015","16.187","0.002","10.773","0.0014","90","","103.801","0.005","90","","1825.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H47 Cl Cs N7 O2 -","- C39 H47 Cl Cs N7 O2 -","- C78 H94 Cl2 Cs2 N14 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0529","0.041","","","0.0797","0.0837","","","","","","1.028","","","","has coordinates","216457","2020-10-21","18:00:00",""
"1551840","10.466","0.0003","11.298","0.0004","20.076","0.0005","90","","104.461","0.002","90","","2298.67","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H71 Cl N8 O2 -","- C49 H71 Cl N8 O2 -","- C98 H142 Cl2 N16 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.197","0.0989","","","0.1795","0.2217","","","","","","1.266","","","","has coordinates,has disorder","216461","2020-10-21","18:00:00",""
"1551881","7.4574","0.0004","5.66","0.0003","19.1444","0.0011","90","","97.282","0.001","90","","801.55","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16.19 Br N2 O1.6 -","- C18 H16.192 Br N2 O1.596 -","- C36 H32.384 Br2 N4 O3.192 -","2","1","","Ling Li; Chao-Yuan Wang; Rongcai Huang; Mark R. Biscoe","Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides","Nature Chemistry","2013","5","","607","612","10.1038/nchem.1652","","","0.71073","MoKα","","0.0265","0.0236","","","0.0553","0.0564","","","","","","1.048","","","","has coordinates","216523","2020-10-21","18:00:00",""
"1551890","29.4752","0.0019","8.8183","0.0006","37.823","0.002","90","","97.4465","0.0018","90","","9748.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H26 O2 S -","- C33 H26 O2 S -","- C528 H416 O32 S16 -","16","8","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.71073","MoKα","","0.11","0.0862","","","0.1829","0.1935","","","","","","1.07","","","","has coordinates","216532","2020-10-21","18:00:00",""
"1551897","11.803","0.0002","16.4826","0.0003","15.1932","0.0002","90","","96.418","0.001","90","","2937.22","0.08","173","0.14","173","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H53 Cl6 N O5 Os P4 -","- C60 H53 Cl6 N O5 Os P4 -","- C120 H106 Cl12 N2 O10 Os2 P8 -","2","1","","Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen","Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes","Faraday Discussions","2019","","","","","10.1039/C9FD00048H","","","1.54184","CuKα","","0.0283","0.0276","","","0.0708","0.0716","","","","","","1.019","","","","has coordinates,has disorder","216555","2020-10-21","18:00:00",""
"1551934","10.222","0.002","9.1756","0.0018","12.967","0.003","90","","112.96","0.03","90","","1119.9","0.5","153.15","","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O3 Rh -","- C24 H31 N O3 Rh -","- C48 H62 N2 O6 Rh2 -","2","1","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.71073","MoKα","","0.0324","0.0318","","","0.0734","0.0741","","","","","","1.055","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551935","12.96235","0.00017","10.15759","0.00011","14.61931","0.00018","90","","102.942","0.0012","90","","1875.97","0.04","105.4","","105.4","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N O Rh -","- C23 H26 N O Rh -","- C92 H104 N4 O4 Rh4 -","4","2","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.7107","MoKα","","0.0308","0.0273","","","0.0543","0.0565","","","","","","1.031","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551937","12.96","0.003","9.9","0.002","13.1","0.003","90","","109.53","0.03","90","","1584.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O Rh -","- C19 H19 N O Rh -","- C76 H76 N4 O4 Rh4 -","4","2","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.71073","MoKα","","0.044","0.0411","","","0.081","0.0834","","","","","","1.037","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551954","10.3101","0.0003","18.3821","0.0005","16.3489","0.0004","90","","93.091","0.002","90","","3093.96","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 B O4 -","- C36 H39 B O4 -","- C144 H156 B4 O16 -","4","2","","Ando, Naoki; Soutome, Hiroki; Yamaguchi, Shigehiro","Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom","Chemical Science","2019","","","","","10.1039/C9SC02314C","","","0.78255","Synchrotron","","0.0588","0.0425","","","0.0921","0.111","","","","","","1.134","","","","has coordinates","216717","2020-10-21","18:00:00",""
"1551961","11.3036","0.0004","15.895","0.0005","11.5465","0.0004","90","","111.075","0.001","90","","1935.8","0.11","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O16 -","- C40 H42 O16 -","- C80 H84 O32 -","2","1","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0272","0.027","","","0.074","0.0741","","","","","","1.05","","","","has coordinates,has disorder","216725","2020-10-21","18:00:00",""
"1551968","5.556","0.008","5.842","0.008","10.511","0.017","90","","93.54","0.04","90","","340.5","0.9","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 F6 -","- C6 H6 F6 -","- C12 H12 F12 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.0639","0.0604","","","0.1496","0.1519","","","","","","1.036","","","","has coordinates","216732","2020-10-21","18:00:00",""
"1551971","5.7119","0.0015","5.5655","0.0015","11.244","0.003","90","","93.724","0.008","90","","356.69","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F5 O -","- C6 H7 F5 O -","- C12 H14 F10 O2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.1095","0.0659","","","0.1286","0.1451","","","","","","1.063","","","","has coordinates","216735","2020-10-21","18:00:00",""
"1551972","5.6059","0.0014","7.4253","0.0017","13.076","0.003","90","","97.192","0.003","90","","540","0.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F8 O3 S -","- C7 H6 F8 O3 S -","- C14 H12 F16 O6 S2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0533","0.0522","","","0.1251","0.1257","","","","","","1.059","","","","has coordinates","216736","2020-10-21","18:00:00",""
"1551973","14.3169","0.0003","52.6236","0.001","19.6942","0.0004","90","","90.753","0.001","90","","14836.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.35 H51.66 Cl6.46 N7.34 O1.21 Pd3 -","- C48.106 H48.701 Cl6.45825 N7.345 O0.95825 Pd3 -","- C384.848 H389.608 Cl51.666 N58.76 O7.666 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1223","0.0724","","","0.1795","0.2112","","","","","","0.961","","","","has coordinates","279817","2022-12-09","07:50:58",""
"1551974","14.3234","0.0003","52.7691","0.001","19.7513","0.0004","90","","90.668","0.001","90","","14927.7","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.22 H52.35 Cl6.56 N7.35 O1.19 Pd3 -","- C48.971 H49.5685 Cl6.56575 N7.3475 O0.92375 Pd3 -","- C391.768 H396.548 Cl52.526 N58.78 O7.39 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1041","0.0667","","","0.1725","0.198","","","","","","0.989","","","","has coordinates","279817","2022-12-09","07:51:00",""
"1551975","14.3263","0.0003","52.7504","0.001","19.746","0.0004","90","","90.666","0.001","90","","14921.4","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.81 H53.02 Cl6.65 N7.3 O1.28 Pd3 -","- C49.5615 H49.6113 Cl6.6515 N7.29975 O1.03075 Pd3 -","- C396.492 H396.89 Cl53.212 N58.398 O8.246 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.109","0.0676","","","0.1753","0.2039","","","","","","0.987","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1551976","14.3197","0.0004","52.525","0.0013","19.6905","0.0005","90","","90.763","0.001","90","","14808.7","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.21 H52.58 Cl6.58 N7.28 O1.43 Pd3 -","- C48.966 H49.501 Cl6.58075 N7.285 O1.08075 Pd3 -","- C391.728 H396.008 Cl52.646 N58.28 O8.646 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1347","0.0766","","","0.1994","0.2412","","","","","","0.954","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1552086","10.249","0.0013","12.0899","0.0015","17.74","0.002","90","","91.269","0.002","90","","2197.6","0.5","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","CholestCAACCuCl","","- C46 H74 Cl Cu N2 -","- C46 H74 Cl Cu N2 -","- C92 H148 Cl2 Cu2 N4 -","2","1","","Pichon, Delphine; Soleilhavoup, Michele; Morvan, Jennifer; Junor, Glen P.; Vives, Thomas; Crévisy, Christophe; Lavallo, Vincent; Campagne, Jean-Marc; Mauduit, Marc; Jazzar, Rodolphe; Bertrand, Guy","The debut of chiral cyclic (alkyl)(amino)carbenes (CAACs) in enantioselective catalysis","Chemical Science","2019","","","","","10.1039/C9SC02810B","","","0.71073","MoKα","","0.0432","0.0324","","","0.0668","0.0695","","","","","","0.947","","","","has coordinates","216965","2020-10-21","18:00:00",""
"1552095","15.4326","0.0003","5.2015","0.0001","16.2067","0.0003","90","","91.986","0.001","90","","1300.17","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H18 N2 O7 -","- C10 H18 N2 O7 -","- C40 H72 N8 O28 -","4","2","","H. Allouchi; R. Ceolin; L. Berthon; F. Tombret; I. B. Rietveld","Characterization of molecular associations involving L-ornithine and alpha-ketoglutaric acid: Crystal structure of L-ornithinium alpha-ketoglutarate","Annales Pharmaceutiques Francaises","2014","72","","238","243","10.1016/j.pharma.2014.04.005","","","0.71069","MoKα","","0.0708","0.047","","","0.1024","0.1141","","","","","","1.034","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1552106","11.1629","0.0002","8.7778","0.0001","15.3748","0.0003","90","","101.558","0.002","90","","1475.96","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,3S,4R,4a'R,5R,5a'R,11a'R,12'S,12a'R)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3H,8'H-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3,6]trioxocine]-3,4,12'-triyl triacetate","","- C26 H38 O15 -","- C26 H38 O15 -","- C52 H76 O30 -","2","1","","Bollard, H. E.; Banwell, M. G.; Ward, J. S.","(2S,3S,4R,4a'R,5R,5a'R,11a'R,12'S,12a'R)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3H,8'H-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3,6]trioxocine]-3,4,12'-triyl triacetate","IUCrData","2019","4","7","x190986","","10.1107/S2414314619009866","","x-ray","1.54184","CuKα","","0.0376","0.0366","","","0.0965","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","217015","2020-10-21","18:00:00",""
"1552111","11.0627","0.0008","10.8304","0.0007","16.9545","0.0012","90","","108.004","0.008","90","","1931.9","0.2","100","0.4","100","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H49 O19 P V6 -","- C25 H49 O19 P V6 -","- C50 H98 O38 P2 V12 -","2","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.1425","0.1213","","","0.2832","0.3019","","","","","","1.093","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552166","8.22428","0.00016","13.92307","0.00019","8.40898","0.00016","90","","115.927","0.002","90","","865.98","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 Br2 Cl N2 O3 -","- C16 H13 Br2 Cl N2 O3 -","- C32 H26 Br4 Cl2 N4 O6 -","2","1","","Correa, Arkaitz; San Segundo, Marcos","Pd-Catalyzed Site-Selective C(sp2)‒H Radical Acylation of Phenylalanine Containing Peptides with Aldehydes","Chemical Science","2019","","","","","10.1039/C9SC03425K","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.072","0.0727","","","","","","1.047","","","","has coordinates","217457","2020-10-21","18:00:00",""
"1552176","8.5853","0.0004","7.0808","0.0002","14.4608","0.0007","90","","96.828","0.004","90","","872.85","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O4 -","- C21 H17 N3 O4 -","- C42 H34 N6 O8 -","2","1","","Nicke, Lennart; Horx, Philip; Harms, Klaus; Geyer, Armin","Directed C(sp3)‒H arylation of tryptophan: transformation of the directing group into an activated amide","Chemical Science","2019","","","","","10.1039/C9SC03440D","","","1.54186","CuKα","","0.0348","0.0312","","","0.0829","0.0844","","","","","","1.08","","","","has coordinates,has disorder","217470","2020-10-21","18:00:00",""
"1552177","9.63219","0.00011","9.47828","0.00009","12.7213","0.00014","90","","106.27","0.0012","90","","1114.9","0.02","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(2-(dimethyl(phenyl)silyl)-2-phenylethyl)-4-methylbenzenesulfonamide","","- C23 H27 N O2 S Si -","- C23 H27 N O2 S Si -","- C46 H54 N2 O4 S2 Si2 -","2","1","","Takeda, Youhei; Shibuta, Kaoru; Aoki, Shohei; Tohnai, Norimitsu; Minakata, Satoshi","Catalyst-controlled regiodivergent ring-opening C(sp3)‒Si bond-forming reactions of 2-arylaziridines with silylborane enabled by synergistic palladium/copper dual catalysis","Chemical Science","2019","","","","","10.1039/C9SC02507C","","","1.54187","CuKα","","0.0355","0.0352","","","0.0948","0.095","","","","","","1.077","","","","has coordinates","217481","2020-10-21","18:00:00",""
"1552205","11.2455","0.0005","14.4419","0.0006","14.439","0.0006","90","","99.887","0.003","90","","2310.16","0.17","123","","123","","","","","","","","Patrick Zwick","4","P 1 21 1","P 2yb","4","","5,15-dimesityl-10,20-bis((trimethylsilyl)ethynyl)porphyrin","","- C52 H58 N5 Si2 -","- C52 H58 N5 Si2 -","- C104 H116 N10 Si4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0641","0.059","","0.1446","0.1414","0.1446","","","","","","0.9484","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552207","10.5687","0.0006","17.5433","0.0009","14.2726","0.0008","90","","90.077","0.003","90","","2646.3","0.3","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","[S,S'-(((10,20-bis(4-(tert-butyl)phenyl)porphyrinato-5,15-diyl)bis(ethyne-2,1-diyl))bis(4,1-phenylene)) diethanethioate]zinc(II)","","- C64 H56 N4 O3 S2 Zn -","- C64 H56 N4 O3 S2 Zn -","- C128 H112 N8 O6 S4 Zn2 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0456","0.0439","","0.117","0.1153","0.117","","","","","","0.8466","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552221","9.7975","0.0002","13.688","0.0002","13.4124","0.0003","90","","108.897","0.002","90","","1701.77","0.06","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C35 H37 Co F6 N4 O2 P -","- C35 H37 Co F6 N4 O2 P -","- C70 H74 Co2 F12 N8 O4 P2 -","2","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0298","0.0291","","","0.0764","0.0771","","","","","","1.037","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552238","5.7854","0.0007","9.2974","0.0011","12.6443","0.0012","90","","94.217","0.01","90","","678.29","0.13","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-Chloro-2-ferrocenylbenzo[d]oxazole","","- C17 H12 Cl Fe N O -","- C17 H12 Cl Fe N O -","- C34 H24 Cl2 Fe2 N2 O2 -","2","1","VM4041","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I.","5-Chloro-2-ferrocenylbenzo[d]oxazole","IUCrData","2019","4","8","x191096","","10.1107/S2414314619010964","","","0.71073","MoKα","","0.0566","0.0467","","","0.1043","0.1142","","","","","","1.077","","","","has coordinates,has Fobs","217556","2020-10-21","18:00:00",""
"1552240","6.7486","0.0002","10.2915","0.0003","11.4126","0.0004","90","","94.952","0.002","90","","789.68","0.04","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 S -","- C15 H16 N2 O6 S -","- C30 H32 N4 O12 S2 -","2","1","","Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T.","Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones","Chemical Science","2019","","","","","10.1039/C9SC03215K","","","1.54178","CuKα","","0.0294","0.0281","","","0.0694","0.0703","","","","","","1.057","","","","has coordinates","217567","2020-10-21","18:00:00",""
"1552263","9.5956","0.0003","9.7344","0.0004","10.4231","0.0004","90","","93.158","0.003","90","","972.12","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-(4-(Hydroxymethyl)-4,5-dihydrooxazol-2-yl)phenyl)diphenylphosphine oxide","","- C22 H20 N O3 P -","- C22 H20 N O3 P -","- C44 H40 N2 O6 P2 -","2","1","","Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei","A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products","Chemical Science","2019","","","","","10.1039/C9SC03843D","","x-ray","1.54184","CuKα","","0.0366","0.0327","","","0.0757","0.077","","","","","","1.002","","","","has coordinates","217732","2020-10-21","18:00:00",""
"1552284","12.3149","0.0004","40.4691","0.0004","12.3281","0.0002","90","","117.839","0.003","90","","5432.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H108 Cl4 N14 O22 Zn2 -","- C112 H108 Cl4 N14 O22 Zn2 -","- C224 H216 Cl8 N28 O44 Zn4 -","2","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.0489","0.0464","","","0.1248","0.1276","","","","","","1.023","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552325","8.5944","0.0001","5.9312","0.0001","16.3498","0.0002","90","","104.547","0.001","90","","806.71","0.02","150.01","0.1","150.01","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C21 H20 -","- C21 H20 -","- C42 H40 -","2","1","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54178","CuKα","","0.0457","0.0451","","","0.1264","0.127","","","","","","1.074","","","","has coordinates,has disorder","218236","2020-10-21","18:00:00",""
"1552412","18.2173","0.0008","30.2552","0.0011","33.8828","0.0013","90","","102.678","0.004","90","","18219.8","1.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C198 H174 Mg6 N12 -","- C198 H174 Mg6 N12 -","- C792 H696 Mg24 N48 -","4","2","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1505","0.0894","","","0.2212","0.2648","","","","","","0.954","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552458","13.5575","0.0002","23.9425","0.0003","19.8418","0.0003","90","","93.584","0.002","90","","6428.06","0.16","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C280 H260 F30 N30 O20 -","10","5","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1046","0.1093","","","","","","0.998","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552490","5.7618","0.0001","19.4824","0.0004","11.8204","0.0002","90","","90.0232","0.0011","90","","1326.88","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","2","","Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.","High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01238","","","1.54178","CuKα","","0.0258","0.0256","","","0.0636","0.0638","","","","","","1.058","","","","has coordinates","219594","2020-10-21","18:00:00",""
"1552497","5.9545","0.0001","4.9627","0.0001","25.4669","0.0007","90","","91.886","0.002","90","","752.15","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 B N3 O3 -","- C16 H16 B N3 O3 -","- C32 H32 B2 N6 O6 -","2","1","","Gu, Han; Ghosh, Saptarshi; Staples, Richard J.; Bane, Susan L.","β-Hydroxy-Stabilized Boron-Nitrogen Heterocycles Enable Rapid and Efficient C-Terminal Protein Modification.","Bioconjugate chemistry","2019","30","10","2604","2613","10.1021/acs.bioconjchem.9b00534","","","1.54178","CuKα","","0.0569","0.0433","","","0.0952","0.1021","","","","","","1.04","","","","has coordinates","220329","2020-10-21","18:00:00",""
"1552499","11.2033","0.0001","8.9094","0.0001","16.9484","0.0002","90","","92.877","0.001","90","","1689.57","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 B N3 O4 -","- C18 H16 B N3 O4 -","- C72 H64 B4 N12 O16 -","4","2","","Gu, Han; Ghosh, Saptarshi; Staples, Richard J.; Bane, Susan L.","β-Hydroxy-Stabilized Boron-Nitrogen Heterocycles Enable Rapid and Efficient C-Terminal Protein Modification.","Bioconjugate chemistry","2019","30","10","2604","2613","10.1021/acs.bioconjchem.9b00534","","","1.54178","CuKα","","0.0611","0.0559","","","0.1581","0.1656","","","","","","1.037","","","","has coordinates","220329","2020-10-21","18:00:00",""
"1552561","10.20373","0.00008","6.97368","0.00006","18.69692","0.00015","90","","96.8278","0.0007","90","","1320.99","0.019","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 F2 N5 O4.5 -","- C11 H16 F2 N5 O4.5 -","- C44 H64 F8 N20 O18 -","4","2","","Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin","Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.","Journal of medicinal chemistry","2019","62","13","6346","6362","10.1021/acs.jmedchem.9b00781","","x-ray","1.54184","CuKα","","0.0246","0.0241","","","0.0655","0.0659","","","","","","1.027","","","","has coordinates","222071","2020-10-21","18:00:00",""
"1552565","11.4081","0.0012","16.2769","0.0016","12.6451","0.0018","90","","116.589","0.004","90","","2099.7","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","2","","Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.","Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.","Journal of medicinal chemistry","2019","62","9","4500","4525","10.1021/acs.jmedchem.9b00056","","x-ray","1.34139","GaKα","","0.157","0.1453","","","0.3377","0.3547","","","","","","1.571","","","","has coordinates","222075","2020-10-21","18:00:00",""
"1552569","6.6034","0.0007","19.42","0.002","11.2933","0.001","90","","95.853","0.009","90","","1440.7","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O5 -","- C31 H50 O5 -","- C62 H100 O10 -","2","1","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from Abies chensiensis and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0932","0.0852","","","0.2403","0.2512","","","","","","1.056","","","","has coordinates","222090","2020-10-21","18:00:00",""
"1552573","9.0638","0.0003","16.6186","0.0005","18.1526","0.0006","90","","101.326","0.002","90","","2681.04","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N O7 -","- C30 H39 N O7 -","- C120 H156 N4 O28 -","4","2","","Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin","Anti-Lymphangiogenic Alkaloids from the Zoanthid Zoanthus vietnamensis Collected in Taiwan.","Journal of natural products","2019","82","10","2790","2799","10.1021/acs.jnatprod.9b00451","","","1.54178","CuKα","","0.0415","0.0401","","","0.1112","0.1129","","","","","","1.028","","","","has coordinates","222094","2020-10-21","18:00:00",""
"1552576","9.1038","0.0001","11.6255","0.0001","13.5058","0.0001","90","","89.859","0.001","90","","1429.4","0.02","120","0.1","120","0.1","","","","","","","Euphorbia helioscopia","3","P 1 21 1","P 2yb","4","Euphoscopoid E","Euphoscopoid E","","- C31 H40 O7 -","- C31 H40 O7 -","- C62 H80 O14 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from Euphorbia helioscopia and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0323","0.0321","","","0.0831","0.0833","","","","","","1.054","","","","has coordinates","222097","2020-10-21","18:00:00",""
"1552579","10.0038","0.0002","16.8028","0.0003","11.5827","0.0002","90","","101.17","0.002","90","","1910.08","0.06","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 1 21 1","P 2yb","4","euphorbiapene D","euphorbiapene D","","- C42 H52 O8 -","- C42 H52 O8 -","- C84 H104 O16 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from Euphorbia helioscopia and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0685","0.0623","","","0.1824","0.1863","","","","","","1.117","","","","has coordinates","222100","2020-10-21","18:00:00",""
"1552580","8.8304","0.0001","11.799","0.0001","13.7879","0.0001","90","","92.011","0.001","90","","1435.68","0.02","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 1 21 1","P 2yb","4","euphoscopin A","euphoscopin A","","- C31 H40 O8 -","- C31 H40 O8 -","- C62 H80 O16 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from Euphorbia helioscopia and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0331","0.0324","","","0.0849","0.0857","","","","","","1.024","","","","has coordinates","222101","2020-10-21","18:00:00",""
"1552582","9.3969","0.0001","19.314","0.0002","10.1452","0.0001","90","","101.754","0.001","90","","1802.66","0.03","103","6","103","6","","","","","","","Euphorbia helioscopia","4","P 1 21 1","P 2yb","4","Euphoscopoid F","Euphoscopoid F","","- C37 H41 Cl3 O8 -","- C37 H41 Cl3 O8 -","- C74 H82 Cl6 O16 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from Euphorbia helioscopia and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0426","0.0422","","","0.1178","0.1188","","","","","","1.055","","","","has coordinates","222103","2020-10-21","18:00:00",""
"1552590","16.211","0.0002","8.33626","0.00011","19.9088","0.0003","90","","101.118","0.0013","90","","2639.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O12 -","- C23 H27 N O12 -","- C92 H108 N4 O48 -","4","2","","Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu","Phthalideisoquinoline Hemiacetal Alkaloids from Corydalis decumbens That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.","Journal of natural products","2019","82","10","2713","2720","10.1021/acs.jnatprod.9b00247","","x-ray","1.54184","CuKα","","0.0703","0.067","","","0.1879","0.1941","","","","","","1.03","","","","has coordinates","222111","2020-10-21","18:00:00",""
"1552595","9.618","0.01","12.165","0.006","13.421","0.008","90","","93.76","0.04","90","","1567","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","HQT52a","","","- C32 H40 O12 -","- C32 H40 O12 -","- C64 H80 O24 -","2","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of Tripterygium wilfordii.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54184","CuKα","","0.0295","0.0289","","","0.0749","0.0761","","","","","","1.039","","","","has coordinates","222116","2020-10-21","18:00:00",""
"1552599","10.1293","0.0001","7.3868","0.0001","18.5718","0.0002","90","","99.008","0.001","90","","1372.46","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 N O4 -","- C31 H47 N O4 -","- C62 H94 N2 O8 -","2","1","","Czajkowska-Szczykowska, Dorota; Jastrzebska, Izabella; Rode, Joanna E.; Morzycki, Jacek W.","Revision of the Structure of N, O-Diacetylsolasodine. Unusual Epimerization at the Spiro Carbon Atom during Acetylation of Solasodine.","Journal of natural products","2019","82","1","59","65","10.1021/acs.jnatprod.8b00573","","x-ray","1.54184","CuKα","","0.034","0.0326","","","0.0834","0.0852","","","","","","1.033","","","","has coordinates","222120","2020-10-21","18:00:00",""
"1552600","17.3169","0.0008","10.191","0.0005","19.8401","0.0008","90","","98.595","0.002","90","","3462","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H48 O12.5 -","- C29 H48 O12.5 -","- C116 H192 O50 -","4","2","","Bie, Qiong; Chen, Chunmei; Yu, Muyuan; Guo, Jieru; Wang, Jianping; Liu, Junjun; Zhou, Yuan; Zhu, Hucheng; Zhang, Yonghui","Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species.","Journal of natural products","2019","82","1","80","86","10.1021/acs.jnatprod.8b00694","","","1.54178","CuKα","","0.0839","0.0753","","","0.2029","0.2166","","","","","","1.069","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552601","7.22937","0.00004","28.66155","0.00014","9.57923","0.00007","90","","111.315","0.0007","90","","1849.09","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 O4.5 -","- C20 H31 O4.5 -","- C80 H124 O18 -","4","2","","Bie, Qiong; Chen, Chunmei; Yu, Muyuan; Guo, Jieru; Wang, Jianping; Liu, Junjun; Zhou, Yuan; Zhu, Hucheng; Zhang, Yonghui","Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species.","Journal of natural products","2019","82","1","80","86","10.1021/acs.jnatprod.8b00694","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0636","0.0637","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552602","11.6492","0.0003","5.7715","0.0001","17.9296","0.0004","90","","95.66","0.002","90","","1199.59","0.05","150","","150","","","","","","","","from U of Wollongong","3","P 1 21 1","P 2yb","4","","","","- C29 H26 O7 -","- C29 H26 O7 -","- C58 H52 O14 -","2","1","","Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee","Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.","Journal of natural products","2019","82","1","101","110","10.1021/acs.jnatprod.8b00794","","x-ray","1.54184","CuKα","","0.0499","0.0476","","0.1282","0.1249","0.1282","","","","","","1.0063","","","","has coordinates","222124","2020-10-21","18:00:00",""
"1552606","12.1769","0.0003","9.0209","0.0002","15.9736","0.0004","90","","95.4828","0.001","90","","1746.62","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H56 N O12 -","- C31 H57 N O12 -","- C62 H114 N2 O24 -","2","1","","Gunasekera, Sarath P.; Meyer, Julie L.; Ding, Yousong; Abboud, Khalil A.; Luo, Danmeng; Campbell, Justin E.; Angerhofer, Alexander; Goodsell, Justin L.; Raymundo, Laurie J.; Liu, Junyang; Ye, Tao; Luesch, Hendrik; Teplitski, Max; Paul, Valerie J.","Chemical and Metagenomic Studies of the Lethal Black Band Disease of Corals Reveal Two Broadly Distributed, Redox-Sensitive Mixed Polyketide/Peptide Macrocycles.","Journal of natural products","2019","82","1","111","121","10.1021/acs.jnatprod.8b00804","","","1.54178","CuKα","","0.0326","0.0322","","","0.0891","0.0897","","","","","","1.076","","","","has coordinates,has disorder","222128","2020-10-21","18:00:00",""
"1552607","7.543","0.0002","11.3039","0.0003","19.2193","0.0006","90","","91.587","0.002","90","","1638.11","0.08","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H54 O4 -","- C38 H54 O4 -","- C76 H108 O8 -","2","1","","Wang, Wen-Li; Zhu, Dong-Rong; Chen, Chen; Zhu, Tian-Yu; Han, Chao; Liu, Fei-Yan; Li, Ling-Nan; Luo, Jian-Guang; Kong, Ling-Yi","Taicrypnacids A and B, a Pair of C37 Heterodimeric Diterpenoid Stereoisomers from Taiwania cryptomerioides.","Journal of natural products","2019","82","8","2087","2093","10.1021/acs.jnatprod.8b00815","","","1.54178","CuKα","","0.0353","0.0317","","","0.0789","0.0808","","","","","","1.041","","","","has coordinates","222129","2020-10-21","18:00:00",""
"1552610","7.5459","0.0005","21.2382","0.001","13.5497","0.0005","90","","90.079","0.003","90","","2171.49","0.19","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","asperophiobolin I","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","2","","Cai, Runlin; Jiang, Hongming; Mo, Yaling; Guo, Huixian; Li, Chunyuan; Long, Yuhua; Zang, Zhenming; She, Zhigang","Ophiobolin-Type Sesterterpenoids from the Mangrove Endophytic Fungus Aspergillus sp. ZJ-68.","Journal of natural products","2019","82","8","2268","2278","10.1021/acs.jnatprod.9b00462","","x-ray","1.54184","CuKα","","0.1693","0.1624","","","0.4338","0.4407","","","","","","2.044","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552620","11.1676","0.0003","6.78712","0.00014","11.9803","0.0003","90","","100.342","0.002","90","","893.3","0.04","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus Botryotinia fuckeliana MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0289","0.0285","","","0.0725","0.0729","","","","","","1.0768","","","","has coordinates","222142","2020-10-21","18:00:00",""
"1552629","9.8481","0.0006","17.0966","0.001","10.3379","0.0006","90","","114.982","0.003","90","","1577.73","0.17","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H40 O11 -","- C33 H40 O11 -","- C66 H80 O22 -","2","1","","Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.","Jatrophane Diterpenoids from Euphorbia glomerulans.","Journal of natural products","2019","82","4","724","734","10.1021/acs.jnatprod.8b00507","","","1.54178","CuKα","","0.0295","0.0289","","","0.072","0.0725","","","","","","1.055","","","","has coordinates","222152","2020-10-21","18:00:00",""
"1552630","11.7453","0.0005","8.9804","0.0004","18.5229","0.0008","90","","104.213","0.002","90","","1893.94","0.14","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O12 -","- C37 H45 N O12 -","- C74 H90 N2 O24 -","2","1","","Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.","Jatrophane Diterpenoids from Euphorbia glomerulans.","Journal of natural products","2019","82","4","724","734","10.1021/acs.jnatprod.8b00507","","","1.54178","CuKα","","0.0432","0.0417","","","0.1113","0.1129","","","","","","1.075","","","","has coordinates","222153","2020-10-21","18:00:00",""
"1552636","10.13676","0.00011","17.28546","0.00014","33.1549","0.0002","90","","93.655","0.0007","90","","5797.54","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C248 H304 O48 -","8","4","","Zhang, Cui-Yun; Wu, Yan-Li; Zhang, Peng; Chen, Zhuang-Zhuang; Li, Hua; Chen, Li-Xia","Anti-inflammatory Lathyrane Diterpenoids from Euphorbia lathyris.","Journal of natural products","2019","82","4","756","764","10.1021/acs.jnatprod.8b00600","","x-ray","1.54184","CuKα","","0.0399","0.039","","","0.1009","0.1019","","","","","","1.039","","","","has coordinates","222159","2020-10-21","18:00:00",""
"1552637","11.4728","0.0002","14.2022","0.0003","12.6852","0.0003","90","","105.918","0.002","90","","1987.66","0.07","159","4","159","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H46 N4 O10 -","- C43 H46 N4 O10 -","- C86 H92 N8 O20 -","2","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54178","CuKα","","0.0745","0.0699","","","0.1878","0.1953","","","","","","1.055","","","","has coordinates","222160","2020-10-21","18:00:00",""
"1552638","12.1049","0.0003","13.7159","0.0003","12.5767","0.0003","90","","106.918","0.002","90","","1997.74","0.08","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","Conophylline","","","- C44 H52 N4 O11 -","- C44 H52 N4 O11 -","- C88 H104 N8 O22 -","2","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54184","CuKα","","0.0554","0.0502","","","0.1297","0.1342","","","","","","1.017","","","","has coordinates","222161","2020-10-21","18:00:00",""
"1552644","11.0157","0.0001","6.7595","0.0001","13.0366","0.0001","90","","106.373","0.001","90","","931.348","0.018","100.2","0.5","100.2","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C44 H44 O14 -","2","1","","Miyata, Ryo; Sahlan, Muhamad; Ishikawa, Yoshinobu; Hashimoto, Hiroshi; Honda, Sari; Kumazawa, Shigenori","Propolis Components from Stingless Bees Collected on South Sulawesi, Indonesia, and Their Xanthine Oxidase Inhibitory Activity.","Journal of natural products","2019","82","2","205","210","10.1021/acs.jnatprod.8b00541","","x-ray","1.54184","CuKα","","0.0332","0.0322","","","0.0849","0.0857","","","","","","1.081","","","","has coordinates","222167","2020-10-21","18:00:00",""
"1552645","5.9344","0.0001","16.577","0.0001","11.6353","0.0001","90","","90.565","0.0008","90","","1144.56","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Carroll, Anthony W.; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Corrected Structure of Natural Hyacinthacine C1 via Total Synthesis.","Journal of natural products","2019","82","2","358","367","10.1021/acs.jnatprod.8b00879","","x-ray","1.54184","CuKα","","0.0334","0.0333","","0.0879","0.0877","0.0879","","","","","","1.0018","","","","has coordinates","222168","2020-10-21","18:00:00",""
"1552648","9.74469","0.00007","11.28356","0.00007","11.95583","0.00009","90","","102.322","0.0007","90","","1284.31","0.016","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O7 -","- C30 H38 O7 -","- C60 H76 O14 -","2","1","","Luo, Pan; Cheng, Yanfang; Yin, Zhiyong; Li, Chanjuan; Xu, Jun; Gu, Qiong","Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum.","Journal of natural products","2019","82","2","349","357","10.1021/acs.jnatprod.8b00863","","x-ray","1.54184","CuKα","","0.0332","0.0326","","","0.0849","0.0857","","","","","","1.034","","","","has coordinates","222171","2020-10-21","18:00:00",""
"1552651","7.2498","0.0002","12.1481","0.0003","15.291","0.0003","90","","97.248","0.001","90","","1335.94","0.06","170","2","170.01","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O7 -","- C29 H42 O7 -","- C58 H84 O14 -","2","1","","Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min","Cytotoxic Tigliane Diterpenoids from Croton damayeshu.","Journal of natural products","2019","82","6","1550","1557","10.1021/acs.jnatprod.9b00042","","","1.34139","GaKα","","0.0596","0.0552","","","0.1505","0.1561","","","","","","1.066","","","","has coordinates","222174","2020-10-21","18:00:00",""
"1552658","11.9104","0.0012","9.3699","0.0009","17.1206","0.0012","90","","105.923","0.008","90","","1837.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H46 O13 -","- C37 H46 O13 -","- C74 H92 O26 -","2","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.0479","0.036","","","0.0883","0.1069","","","","","","1.122","","","","has coordinates","222181","2020-10-21","18:00:00",""
"1552664","11.8611","0.0005","7.1874","0.0003","24.2244","0.001","90","","94.496","0.001","90","","2058.79","0.15","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","2","","Ariantari, Ni P.; Ancheeva, Elena; Wang, Chenyin; Mándi, Attila; Knedel, Tim-O; Kurtán, Tibor; Chaidir, Chaidir; Müller, Werner E G; Kassack, Matthias U.; Janiak, Christoph; Daletos, Georgios; Proksch, Peter","Indole Diterpenoids from an Endophytic Penicillium sp.","Journal of natural products","2019","82","6","1412","1423","10.1021/acs.jnatprod.8b00723","","","1.54178","CuKα","","0.0276","0.0275","","","0.0752","0.0753","","","","","","1.028","","","","has coordinates","222189","2020-10-21","18:00:00",""
"1552668","9.684","0.003","7.892","0.002","15.352","0.004","90","","95.198","0.01","90","","1168.5","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.08696 H3.30435 O0.434783 -","- C48 H76 O10 -","23","11.5","","Tang, Dan; Xu, Yuan-Zhen; Wang, Wei-Wei; Yang, Zhi; Liu, Bo; Stadler, Marc; Liu, Ling-Li; Gao, Jin-Ming","Cyathane Diterpenes from Cultures of the Bird's Nest Fungus Cyathus hookeri and Their Neurotrophic and Anti-neuroinflammatory Activities.","Journal of natural products","2019","82","6","1599","","10.1021/acs.jnatprod.9b00091","","","1.54178","CuKα","","0.1753","0.1707","","","0.3812","0.3915","","","","","","1.794","","","","has coordinates","222193","2020-10-21","18:00:00",""
"1552669","14.1618","0.0013","15.0341","0.0014","20.4035","0.0018","90","","96.33","0.003","90","","4317.6","0.7","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C83 H115 Cl9 O16 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Tang, Dan; Xu, Yuan-Zhen; Wang, Wei-Wei; Yang, Zhi; Liu, Bo; Stadler, Marc; Liu, Ling-Li; Gao, Jin-Ming","Cyathane Diterpenes from Cultures of the Bird's Nest Fungus Cyathus hookeri and Their Neurotrophic and Anti-neuroinflammatory Activities.","Journal of natural products","2019","82","6","1599","","10.1021/acs.jnatprod.9b00091","","","1.54184","CuKα","","0.1003","0.0993","","","0.2893","0.2935","","","","","","1.459","","","","has coordinates","222194","2020-10-21","18:00:00",""
"1552670","6.0596","0.0005","20.5898","0.0019","12.0426","0.0011","90","","99.994","0.006","90","","1479.7","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H48 N2 O6 -","- C30 H48 N2 O6 -","- C60 H96 N4 O12 -","2","1","","Feng, Li; Wang, Jia; Liu, Shuai; Zhang, Xue-Jia; Bi, Qi-Rui; Hu, Yan-Yun; Wang, Zhe; Tan, Ning-Hua","Colletopeptides A-D, Anti-inflammatory Cyclic Tridepsipeptides from the Plant Endophytic Fungus Colletotrichum sp. S8.","Journal of natural products","2019","82","6","1434","1441","10.1021/acs.jnatprod.8b00829","","","1.54178","CuKα","","0.0483","0.0457","","","0.122","0.124","","","","","","1.056","","","","has coordinates","222195","2020-10-21","18:00:00",""
"1552672","6.4985","0.0003","12.2997","0.0006","11.3759","0.0006","90","","105.409","0.002","90","","876.59","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H25 O6 -","- C21 H25 O6 -","- C42 H50 O12 -","2","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.1141","0.1091","","","0.3269","0.337","","","","","","1.575","","","","has coordinates","222197","2020-10-21","18:00:00",""
"1552674","8.279","0.0005","7.3433","0.0004","14.0699","0.0009","90","","93.835","0.002","90","","853.47","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.0432","0.0358","","","0.1219","0.145","","","","","","0.625","","","","has coordinates","222199","2020-10-21","18:00:00",""
"1552675","7.4637","0.0016","11.964","0.002","12.983","0.003","90","","99.527","0.006","90","","1143.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O11 -","- C22 H32 O11 -","- C44 H64 O22 -","2","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.0848","0.0447","","","0.0908","0.1063","","","","","","0.972","","","","has coordinates","222200","2020-10-21","18:00:00",""
"1552681","6.7413","0.0005","41.936","0.004","6.7867","0.0005","90","","101.551","0.007","90","","1879.8","0.3","99.8","0.6","99.8","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","Arbophyllinine B","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","2","","Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from Kopsia arborea.","Journal of natural products","2019","82","7","1902","1907","10.1021/acs.jnatprod.9b00255","","","0.71073","MoKα","","0.0695","0.0546","","","0.1214","0.1337","","","","","","1.084","","","","has coordinates","222206","2020-10-21","18:00:00",""
"1552683","10.1058","0.0004","5.4876","0.0002","14.6707","0.0005","90","","91.494","0.003","90","","813.31","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Arbophyllinine A","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from Kopsia arborea.","Journal of natural products","2019","82","7","1902","1907","10.1021/acs.jnatprod.9b00255","","","1.54184","CuKα","","0.0342","0.0328","","","0.0907","0.0923","","","","","","1.047","","","","has coordinates","222208","2020-10-21","18:00:00",""
"1552684","18.1477","0.0005","7.1529","0.0002","19.4739","0.0005","90","","110.515","0.001","90","","2367.56","0.11","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20.5 H38.5 O10.5 -","- C20.5 H38.5 O10.5 -","- C82 H154 O42 -","4","2","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of Rhododendron auriculatum and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0849","0.0649","","","0.1713","0.1889","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552686","7.21196","0.00013","11.8487","0.00016","11.19881","0.00017","90","","100.352","0.0016","90","","941.39","0.03","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of Rhododendron auriculatum and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0404","0.0401","","","0.1067","0.1071","","","","","","1.044","","","","has coordinates","222211","2020-10-21","18:00:00",""
"1552694","11.6923","0.0001","7.0558","0.0001","19.0143","0.0002","90","","100.318","0.001","90","","1543.28","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23.33 H30.07 N0.67 O3.4 -","- C23.3333 H30.0667 N0.666667 O3.4 -","- C70 H90.2 N2 O10.2 -","3","1.5","","Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang","Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus Didymella sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.","Journal of natural products","2019","82","7","1752","1758","10.1021/acs.jnatprod.8b00918","","x-ray","1.54178","CuKα","","0.0348","0.0323","","","0.079","0.0814","","","","","","1.037","","","","has coordinates","222219","2020-10-21","18:00:00",""
"1552698","14.5633","0.0001","8.3743","0.0001","15.3907","0.0002","90","","95.7705","0.0005","90","","1867.5","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4.06 -","- C20 H30 O4.06155 -","- C80 H120 O16.2462 -","4","2","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus Stachybotrys chartarum.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","x-ray","1.54184","CuKα","","0.0299","0.0296","","","0.0778","0.078","","","","","","1.051","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1552699","9.5715","0.0002","13.8018","0.0003","9.9943","0.0002","90","","114.045","0.001","90","","1205.72","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O7 -","- C25 H38 O7 -","- C50 H76 O14 -","2","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus Stachybotrys chartarum.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","","1.54178","CuKα","","0.0236","0.0235","","","0.0607","0.0607","","","","","","1.066","","","","has coordinates","222224","2020-10-21","18:00:00",""
"1552700","6.6586","0.0002","17.0782","0.0003","10.2338","0.0002","90","","95.942","0.002","90","","1157.5","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O6 -","- C25 H38 O6 -","- C50 H76 O12 -","2","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus Stachybotrys chartarum.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","","1.54178","CuKα","","0.0419","0.0417","","","0.1146","0.1147","","","","","","1.114","","","","has coordinates","222226","2020-10-21","18:00:00",""
"1552701","5.3671","0.0004","16.4292","0.0016","15.9007","0.0013","90","","95.71","0.003","90","","1395.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","2","","Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui","Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from Trichoderma virens QA-8, an Endophytic Fungus Obtained from the Medicinal Plant Artemisia argyi.","Journal of natural products","2019","82","9","2470","2476","10.1021/acs.jnatprod.9b00139","","","1.54178","CuKα","","0.0996","0.0559","","","0.099","0.1214","","","","","","1.016","","","","has coordinates","222227","2020-10-21","18:00:00",""
"1552704","9.6749","0.0002","10.4511","0.0002","10.917","0.0002","90","","98.643","0.002","90","","1091.32","0.04","293.68","0.1","293.68","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C40 H60 N12 O12 -","4","2","","Xu, Cheng-Dong; Zhang, Hao-Jian; Ma, Zhong-Jun","Pyrimidine Nucleosides from Streptomyces sp. SSA28.","Journal of natural products","2019","82","9","2509","2516","10.1021/acs.jnatprod.9b00260","","x-ray","1.54184","CuKα","","0.0285","0.0278","","","0.0718","0.0756","","","","","","1.084","","","","has coordinates","222230","2020-10-21","18:00:00",""
"1552710","10.1075","0.0004","21.6353","0.0007","24.0774","0.001","90","","94.986","0.002","90","","5245.3","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H46 O6 -","- C28 H45.5 O6 -","- C224 H364 O48 -","8","4","","Tan, Choon Yong; Wang, Fengrui; Anaya-Eugenio, Gerardo D; Gallucci, Judith C.; Goughenour, Kristie D.; Rappleye, Chad A.; Spjut, Richard W.; Carcache de Blanco, Esperanza J.; Kinghorn, A. Douglas; Rakotondraibe, L. Harinantenaina","α-Pyrone and Sterol Constituents of Penicillium aurantiacobrunneum, a Fungal Associate of the Lichen Niebla homalea.","Journal of natural products","2019","82","9","2529","2536","10.1021/acs.jnatprod.9b00340","","x-ray","0.71073","MoKα","","0.0495","0.0417","","","0.1065","0.1116","","","","","","1.019","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552735","3.807","0.0001","7.3986","0.0002","12.547","0.0004","90","","95.445","0.003","90","","351.81","0.017","250","2","250","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,6-dihydroxyphthalaldehyde","3,6-dihydroxybenzene-1,2-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","1","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0372","0.0339","","","0.094","0.0976","","","","","","1.059","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552768","8.3114","0.0002","10.1411","0.0002","10.8128","0.0002","90","","107.963","0.002","90","","866.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 O3 P -","- C19 H23 O3 P -","- C38 H46 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of P-chiral tertiary phosphine oxides with an ethynyl group via Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0357","0.0356","","","0.0875","0.0876","","","","","","1.07","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552769","6.0745","0.0001","19.8094","0.0002","9.9683","0.0001","90","","98.06","0.001","90","","1187.66","0.03","100","0.11","100","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2 P S -","- C24 H32 N O2 P S -","- C48 H64 N2 O4 P2 S2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of P-chiral tertiary phosphine oxides with an ethynyl group via Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0745","0.0753","","","","","","1.044","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552771","14.421","0.002","7.7894","0.0013","16.028","0.003","90","","114.539","0.004","90","","1637.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cl N3 O3 P -","- C36 H33 Cl N3 O3 P -","- C72 H66 Cl2 N6 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of P-chiral tertiary phosphine oxides with an ethynyl group via Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.1285","0.0879","","","0.1703","0.192","","","","","","1.095","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552783","11.5859","0.0003","20.1144","0.0004","18.9328","0.0004","90","","95.818","0.001","90","","4389.44","0.17","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H54 O6 -","- C54 H54 O6 -","- C216 H216 O24 -","4","2","","Kosaka, Tomoyo; Iwai, Satono; Inoue, Yoshihisa; Moriuchi, Toshiyuki; Mori, Tadashi","Solvent and Temperature Effects on Dynamics and Chiroptical Properties of Propeller Chirality and Toroidal Interaction of Hexaarylbenzenes.","The journal of physical chemistry. A","2018","122","37","7455","7463","10.1021/acs.jpca.8b06535","","x-ray","1.54187","CuKα","","0.0558","0.0479","","","0.1312","0.1418","","","","","","1.01","","","","has coordinates","227415","2020-10-21","18:00:00",""
"1552794","9.8681","0.0014","17.5","0.002","12.2922","0.0012","90","","102.706","0.011","90","","2070.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","2","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.0462","0.0387","","","0.0895","0.0917","","","","","","1.01","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552795","10.3122","0.001","10.9803","0.0019","16.8121","0.0019","90","","106.622","0.011","90","","1824.1","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H62 N4 O8 -","- C32 H62 N4 O8 -","- C64 H124 N8 O16 -","2","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.1827","0.0972","","","0.1744","0.2354","","","","","","1.02","","","","has coordinates","227427","2020-10-21","18:00:00",""
"1552797","10.2236","0.0011","12.3246","0.001","12.3403","0.0014","90","","109.388","0.012","90","","1466.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H47 N3 O6 -","- C25 H47 N3 O6 -","- C50 H94 N6 O12 -","2","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.106","0.0714","","","0.1287","0.1443","","","","","","0.999","","","","has coordinates","227429","2020-10-21","18:00:00",""
"1552843","5.9874","0.0005","16.1056","0.0015","23.4443","0.0019","90","","90.04","0.02","90","","2260.7","0.3","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","2","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0639","0.0476","","","0.099","0.1052","","","","","","1.023","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552844","6.0018","0.0006","16.139","0.002","23.448","0.003","90","0.007","90.032","0.007","90","","2271.2","0.5","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","2","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0812","0.059","","","0.1216","0.1326","","","","","","1.087","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552852","10.0671","0.0003","10.4134","0.0003","16.284","0.0005","90","","97.398","0.001","90","","1692.89","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F2 N O3 -","- C20 H17 F2 N O3 -","- C80 H68 F8 N4 O12 -","4","2","","Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin","Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577","Organic Process Research & Development","2018","22","6","681","","10.1021/acs.oprd.8b00059","","","1.54178","CuKα","","0.0362","0.0347","","","0.0876","0.0894","","","","","","1.052","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552868","10.3342","0.0002","22.3144","0.0011","17.0157","0.0003","90","","92.007","0.002","90","","3921.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H37 Cl2 N2 P3 -","- C47 H37 Cl2 N2 P3 -","- C188 H148 Cl8 N8 P12 -","4","2","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0325","0.0309","","","0.0796","0.0806","","","","","","1.024","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552914","16.538","0.002","14.4952","0.0018","22.753","0.003","90","","90.053","0.002","90","","5454.4","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B F20 Y -","- C58 H58 B F20 Y -","- C232 H232 B4 F80 Y4 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.1146","0.0821","","","0.216","0.2386","","","","","","1.123","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552919","8.18909","0.0001","29.7457","0.0005","15.1177","0.0003","90","","90.1069","0.0015","90","","3682.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl6 O10 -","- C31 H40 Cl6 O10 -","- C124 H160 Cl24 O40 -","4","2","","Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping","Antifungal Macrocyclic Trichothecenes from the Insect-Associated Fungus Myrothecium roridum.","Journal of agricultural and food chemistry","2019","67","47","13033","13039","10.1021/acs.jafc.9b04507","","x-ray","1.54184","CuKα","","0.0698","0.0619","","","0.1724","0.1832","","","","","","1.025","","","","has coordinates,has disorder","246568","2020-10-21","18:00:00",""
"1552923","11.0507","0.0002","9.4788","0.0002","12.5781","0.0002","90","","103.987","0.001","90","","1278.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C60 H68 O12 -","2","1","","Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao","Psiguadiols A‒J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00333","","x-ray","1.54184","CuKα","","0.0375","0.0372","","","0.0932","0.0935","","","","","","1.123","","","","has coordinates","231000","2020-10-21","18:00:00",""
"1552924","6.4127","0.0004","17.8732","0.0012","22.4543","0.0014","90","","90","","90","","2573.6","0.3","100","0.1","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C120 H136 O24 -","4","2","","Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao","Psiguadiols A‒J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00333","","","1.54184","CuKα","","0.0842","0.0794","","","0.1902","0.1959","","","","","","1.075","","","","has coordinates","231001","2020-10-21","18:00:00",""
"1552935","7.157","0.0004","9.2077","0.0005","11.239","0.0006","90","","99.005","0.003","90","","731.52","0.07","220","","220","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","1","","Yin, Xin; Liu, Yan; Pan, Juan; Ye, Hong-Liang; Sun, Yan; Zhao, Dong-Ying; Kuang, Hai-Xue; Yang, Bing-You","Melongenaterpenes A–L, Vetispirane-Type Sesquiterpenoids from the Roots of Solanum melongena","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00206","","","1.54184","CuKα","","0.0319","0.0312","","","0.0848","0.0856","","","","","","1.057","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1552943","8.24073","0.00009","13.46168","0.00014","12.86894","0.00014","90","","94.5223","0.001","90","","1423.16","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N5 O4 -","- C32 H47 N5 O4 -","- C64 H94 N10 O8 -","2","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","","1.54184","CuKα","","0.0378","0.0375","","","0.1013","0.1017","","","","","","1.069","","","","has coordinates","231091","2020-10-21","18:00:00",""
"1552946","10.936","0.004","9.071","0.003","12.562","0.005","90","","94.63","0.005","90","","1242.1","0.8","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","compound 21","compound 21","","- C23 H31 N O7 Si -","- C23 H31 N O7 Si -","- C46 H62 N2 O14 Si2 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","0.71073","MoKα","","0.0598","0.0575","","","0.143","0.1458","","","","","","1.049","","","","has coordinates","257421","2020-10-21","18:00:00",""
"1552947","8.7818","0.0005","21.1435","0.0013","10.5555","0.0007","90","","92.327","0.002","90","","1958.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","PMA-27","PMA-27","","- C45 H47 N4 O9 -","- C45 H47 N4 O9 -","- C90 H94 N8 O18 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","1.54178","CuKα","","0.1039","0.063","","","0.1146","0.1305","","","","","","1.032","","","","has coordinates,has disorder","257421","2020-10-21","18:00:00",""
"1552950","15.2114","0.0017","15.0318","0.0019","22.042","0.002","90","","93.831","0.004","90","","5028.7","1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C66 H50 N2 O4 -","- C66 H50 N2 O4 -","- C264 H200 N8 O16 -","4","2","","Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne","Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems.","Chemical science","2020","11","2","567","576","10.1039/c9sc05231c","","x-ray","0.71073","MoKα","","0.1354","0.0984","","","0.2509","0.278","","","","","","1.018","","","","has coordinates","250223","2020-10-21","18:00:00",""
"1552988","17.0807","0.0005","9.587","0.0003","20.1987","0.0006","90","","93.695","0.003","90","","3300.72","0.17","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Macrocycle + axle","","- C76 H88 I N7 O6 -","- C76 H88 I N7 O6 -","- C152 H176 I2 N14 O12 -","2","1","","Kaufmann, Lena; Traulsen, Nora L.; Springer, Andreas; Schröder, Hendrik V.; Mäkelä, Toni; Rissanen, Kari; Schalley, Christoph A.","Evaluation of multivalency as an organization principle for the efficient synthesis of doubly and triply threaded amide rotaxanes","Org. Chem. Front.","2014","1","5","521","","10.1039/C4QO00077C","","","1.5418","CuKα","","0.1058","0.1014","","","0.2315","0.2347","","","","","","1.117","","","","has coordinates,has disorder","232934","2020-10-21","18:00:00",""
"1552994","8.1719","0.0015","6.8476","0.0012","12.493","0.002","90","","97.076","0.007","90","","693.8","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N O3 -","- C17 H14 F N O3 -","- C34 H28 F2 N2 O6 -","2","1","","Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian","Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins","Organic Chemistry Frontiers","2014","1","7","742","","10.1039/C4QO00126E","","","0.71073","MoKα","","0.1336","0.0627","","","0.1003","0.125","","","","","","1.05","","","","has coordinates","232941","2020-10-21","18:00:00",""
"1553018","10.1723","0.0008","19.9258","0.0016","10.4443","0.0009","90","","90.467","0.002","90","","2116.9","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N2 O5 -","- C22 H21 N2 O5 -","- C88 H84 N8 O20 -","4","2","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","0.71073","MoKα","","0.0664","0.0645","","","0.1872","0.191","","","","","","1.154","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553021","10.723","0.008","13.108","0.009","13.974","0.011","90","","100.869","0.008","90","","1929","2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl Fe N4 -","- C42 H48 Cl Fe N4 -","- C84 H96 Cl2 Fe2 N8 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0895","0.0614","","","0.154","0.1777","","","","","","1.115","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553034","9.4812","0.0007","8.1107","0.0006","13.3671","0.0009","90","","106.9","0.007","90","","983.53","0.13","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Br2 N O3 S -","- C21 H17 Br2 N O3 S -","- C42 H34 Br4 N2 O6 S2 -","2","1","","Liu, Cheng-Hang; Yu, Zhi-Xiang","Gold(i)- and platinum(iv)-catalyzed intramolecular annulations of allenes towards furans","Org. Chem. Front.","2014","1","10","1205","","10.1039/C4QO00223G","","","0.7107","MoKα","","0.0816","0.0628","","","0.1638","0.1843","","","","","","1.013","","","","has coordinates","232984","2020-10-21","18:00:00",""
"1553040","18.2388","0.0011","14.6418","0.0008","20.7375","0.0012","90","","90.251","0.002","90","","5537.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O6 S -","- C27 H31 N O6 S -","- C216 H248 N8 O48 S8 -","8","4","","Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang","Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes","Organic Chemistry Frontiers","2015","2","3","221","","10.1039/C4QO00261J","","","0.71073","MoKα","","0.2011","0.0663","","","0.1128","0.1593","","","","","","0.994","","","","has coordinates","232992","2020-10-21","18:00:00",""
"1553041","8.893","0.0002","20.6873","0.0004","9.7453","0.0002","90","","105.318","0.001","90","","1729.17","0.06","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42 Au Cl N O2 P -","- C38 H42 Au Cl N O2 P -","- C76 H84 Au2 Cl2 N2 O4 P2 -","2","1","","Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang","Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes","Organic Chemistry Frontiers","2015","2","3","221","","10.1039/C4QO00261J","","","0.71073","MoKα","","0.0281","0.0245","","","0.0557","0.057","","","","","","1.05","","","","has coordinates","232992","2020-10-21","18:00:00",""
"1553071","11.008","0.003","7.5883","0.0019","19.571","0.005","90","","90.988","0.01","90","","1634.6","0.7","193","2","193","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","2","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.1856","0.0704","","","0.1292","0.172","","","","","","0.972","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553086","8.4021","0.0011","10.0498","0.0013","9.2882","0.001","90","","93.645","0.006","90","","782.7","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 B N2 -","- C18 H25 B N2 -","- C36 H50 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0434","0.0401","","","0.1031","0.1063","","","","","","1.037","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553087","9.2454","0.0005","7.0797","0.0004","9.5352","0.0005","90","","100.812","0.002","90","","613.04","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 B N2 -","- C13 H23 B N2 -","- C26 H46 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.044","0.0428","","","0.1202","0.1217","","","","","","1.049","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553118","8.592","0.007","10.956","0.009","16.545","0.014","90","","92.673","0.011","90","","1556","2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 N O4 S Sn -","- C32 H37 N O4 S Sn -","- C64 H74 N2 O8 S2 Sn2 -","2","1","","Kamimura, Akio; Yoshinaga, Tatsuro; Noguchi, Fumiaki; Miyazaki, Koichiro; Uno, Hidemitsu","A mechanistic study on the SHi reaction at tin atoms in a radical cascade reaction","Organic Chemistry Frontiers","2015","2","6","713","","10.1039/C5QO00063G","","","0.71075","MoKα","","0.1065","0.0869","","","0.196","0.2108","","","","","","1.096","","","","has coordinates","233611","2020-10-21","18:00:00",""
"1553122","10.4422","0.0003","33.2582","0.001","10.4466","0.0003","90","","114.77","0.002","90","","3294.2","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 F3 N -","- C19 H20 F3 N -","- C152 H160 F24 N8 -","8","4","","Chen, Mu-Wang; Ye, Zhi-Shi; Chen, Zhang-Pei; Wu, Bo; Zhou, Yong-Gui","Enantioselective synthesis of trifluoromethyl substituted piperidines with multiple stereogenic centers via hydrogenation of pyridinium hydrochlorides","Organic Chemistry Frontiers","2015","2","5","586","","10.1039/C5QO00069F","","","1.54178","CuKα","","0.1075","0.0715","","","0.2153","0.2857","","","","","","1.028","","","","has coordinates","233615","2020-10-21","18:00:00",""
"1553131","12.1876","0.0018","9.8204","0.0014","15.854","0.002","90","","96.796","0.003","90","","1884.2","0.5","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","(POX)PdCl2","","- C16 H24 Cl2 N2 O Pd -","- C16 H24 Cl2 N2 O Pd -","- C64 H96 Cl8 N8 O4 Pd4 -","4","2","","Yu, Feng; Chen, Pinhong; Liu, Guosheng","Pd(ii)-catalyzed intermolecular enantioselective hydroamination of styrenes","Organic Chemistry Frontiers","2015","2","7","819","","10.1039/C5QO00096C","","","0.71073","MoKα","","0.0974","0.0638","","","0.118","0.1327","","","","","","1.023","","","","has coordinates","233622","2020-10-21","18:00:00",""
"1553132","10.291","0.002","5.9808","0.0012","12.068","0.002","90","","103.531","0.003","90","","722.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2.889 H5.111 N0.222 O0.667 S0.222 -","- C2.88889 H5.11111 N0.222222 O0.666667 S0.222222 -","- C26 H46 N2 O6 S2 -","9","4.5","","Ye, Jian-Liang; Zhang, Yu-Feng; Liu, Yang; Zhang, Jin-Yuan; Ruan, Yuan-Ping; Huang, Pei-Qiang","Studies on the asymmetric synthesis of pandamarilactonines: an unexpected syn-selective vinylogous Mannich reaction of N-tert-butanesulfinimines","Organic Chemistry Frontiers","2015","2","6","697","","10.1039/C5QO00098J","","","0.71073","MoKα","","0.0315","0.0314","","","0.088","0.088","","","","","","1.066","","","","has coordinates","233624","2020-10-21","18:00:00",""
"1553141","9.8915","0.0004","9.4814","0.0004","11.942","0.0005","90","","102.048","0.004","90","","1095.31","0.08","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,8R)-3j'","","- C21 H22 Br N3 O5 -","- C21 H22 Br N3 O5 -","- C42 H44 Br2 N6 O10 -","2","1","","Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base","Organic Chemistry Frontiers","2015","2","8","968","","10.1039/C5QO00132C","","","0.71073","MoKα","","0.0403","0.0376","","","0.103","0.1077","","","","","","1","","","","has coordinates","233633","2020-10-21","18:00:00",""
"1553206","11.0065","0.0009","8.788","0.0007","14.4392","0.0012","90","","99.424","0.001","90","","1377.78","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (1S,3R,3aS,8bS)-1-(4-methoxyphenyl)-3-methyl-8b-nitro-4-tosyl-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole-3-carboxylate","","- C27 H28 Br N3 O7 S -","- C27 H28 Br N3 O7 S -","- C54 H56 Br2 N6 O14 S2 -","2","1","","Gerten, Anthony L.; Stanley, Levi M.","Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters","Organic Chemistry Frontiers","2016","3","3","339","","10.1039/C5QO00346F","","","0.71073","MoKα","","0.0334","0.0275","","","0.0633","0.0814","","","","","","1.026","","","","has coordinates","233697","2020-10-21","18:00:00",""
"1553216","8.3327","0.0007","9.5492","0.0009","11.4501","0.001","90","","108.133","0.009","90","","865.84","0.14","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Br2 N O4 -","- C16 H17 Br2 N O4 -","- C32 H34 Br4 N2 O8 -","2","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.0479","0.0459","","","0.1264","0.129","","","","","","1.082","","","","has coordinates","233709","2020-10-21","18:00:00",""
"1553231","7.6839","0.0002","11.0556","0.0003","12.4153","0.0004","90","","106.486","0.004","90","","1011.32","0.05","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O5 -","- C23 H18 N2 O5 -","- C46 H36 N4 O10 -","2","1","","Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong","Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids","Organic Chemistry Frontiers","2016","3","4","470","","10.1039/C5QO00428D","","","1.54184","CuKα","","0.0443","0.0395","","","0.105","0.1091","","","","","","1.048","","","","has coordinates,has disorder","233724","2020-10-21","18:00:00",""
"1553238","8.1343","0.0014","27.626","0.005","8.8172","0.0015","90","","97.223","0.003","90","","1965.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","","Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi","Pd(ii)-catalyzed β-C‒H arylation of O-methyl ketoximes with iodoarenes","Organic Chemistry Frontiers","2016","3","3","380","","10.1039/C5QO00438A","","","0.71073","MoKα","","0.0695","0.0488","","","0.1228","0.1403","","","","","","1.031","","","","has coordinates","233729","2020-10-21","18:00:00",""
"1553254","13.774","0.004","18.775","0.006","10.658","0.003","90","","110.084","0.009","90","","2588.6","1.3","205","","205","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 Br N5 O3 -","- C27 H28 Br N5 O3 -","- C108 H112 Br4 N20 O12 -","4","2","","Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao","Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.","Journal of medicinal chemistry","2018","61","10","4608","4627","10.1021/acs.jmedchem.8b00441","","","0.71073","MoKα","","0.1236","0.0538","","","0.1108","0.1366","","","","","","0.967","","","","has coordinates,has disorder","234012","2020-10-21","18:00:00",""
"1553259","7.7904","0.0006","11.4929","0.0011","16.2869","0.0015","90","","103.739","0.003","90","","1416.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","0.71073","MoKα","","0.0459","0.0391","","","0.0773","0.0795","","","","","","1.067","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553282","9.3216","0.0004","13.2025","0.0006","13.8291","0.0006","90","","107.968","0.001","90","","1618.92","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C72 H108 O10 -","2","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0679","0.0678","","","0.1822","0.1827","","","","","","1.079","","","","has coordinates","234048","2020-10-21","18:00:00",""
"1553283","10.7509","0.0001","7.7655","0.0001","14.8907","0.0002","90","","99.69","","90","","1225.43","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C60 H72 O8 -","2","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0297","0.0296","","","0.0786","0.0787","","","","","","1.03","","","","has coordinates","234050","2020-10-21","18:00:00",""
"1553286","9.1535","0.0015","5.1702","0.0009","14.568","0.002","90","","106.495","0.002","90","","661.06","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 N2 -","- C15 H26 N2 -","- C30 H52 N4 -","2","1","","Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang","Alkaloids with Different Carbon Units from Myrioneuron faberi.","Journal of natural products","2015","78","11","2609","2616","10.1021/acs.jnatprod.5b00543","","","0.71073","MoKα","","0.0375","0.0352","","","0.0994","0.1019","","","","","","1.073","","","","has coordinates","234054","2020-10-21","18:00:00",""
"1553302","10.0971","0.00018","6.95501","0.00013","18.0231","0.0003","90","","100.84","0.0007","90","","1243.1","0.04","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H40 O7 -","- C26 H40 O7 -","- C52 H80 O14 -","2","1","","Kim, Jong Won; Ko, Sung-Kyun; Kim, Hye-Min; Kim, Gun-Hee; Son, Sangkeun; Kim, Gil Soo; Hwang, Gwi Ja; Jeon, Eun Soo; Shin, Kee-Sun; Ryoo, In-Ja; Hong, Young-Soo; Oh, Hyuncheol; Lee, Kyung Ho; Soung, Nak-Kyun; Hashizume, Daisuke; Nogawa, Toshihiko; Takahashi, Shunji; Kim, Bo Yeon; Osada, Hiroyuki; Jang, Jae-Hyuk; Ahn, Jong Seog","Stachybotrysin, an Osteoclast Differentiation Inhibitor from the Marine-Derived Fungus Stachybotrys sp. KCB13F013.","Journal of natural products","2016","79","10","2703","2708","10.1021/acs.jnatprod.6b00641","","","1.54184","CuKα","","0.0435","0.0343","","","0.0744","0.0843","","","","","","1.146","","","","has coordinates","234077","2020-10-21","18:00:00",""
"1553307","14.6436","0.0005","10.578","0.0004","15.5742","0.0007","90","","92.794","0.002","90","","2409.58","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44.25 H74 N5 O11 -","- C44.25 H74 N5 O11 -","- C88.5 H148 N10 O22 -","2","1","","Almaliti, Jehad; Malloy, Karla L.; Glukhov, Evgenia; Spadafora, Carmenza; Gutiérrez, Marcelino; Gerwick, William H.","Dudawalamides A-D, Antiparasitic Cyclic Depsipeptides from the Marine Cyanobacterium Moorea producens.","Journal of natural products","2017","80","6","1827","1836","10.1021/acs.jnatprod.7b00034","","x-ray","1.54178","CuKα","K-L~3~","0.0693","0.0685","","","0.1919","0.1926","","","","","","1.059","","","","has coordinates,has disorder","234082","2020-10-21","18:00:00",""
"1553310","9.0364","0.0003","8.1877","0.0003","10.7482","0.0003","90","","101.86","0.0012","90","","778.25","0.04","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0348","0.032","","","0.0789","0.0813","","","","","","1.08","","","","has coordinates","234087","2020-10-21","18:00:00",""
"1553314","5.8459","0.0002","7.8647","0.0003","14.9863","0.0005","90","","96.369","0.001","90","","684.76","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54178","CuKα","","0.0321","0.0316","","","0.0824","0.0832","","","","","","1.071","","","","has coordinates","234092","2020-10-21","18:00:00",""
"1553315","10.28","0.002","15.493","0.003","10.27","0.002","90","","119.71","0.03","90","","1420.7","0.6","104","2","104","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54184","CuKα","","0.078","0.0681","","","0.1732","0.1853","","","","","","1.086","","","","has coordinates,has disorder","234092","2020-10-21","18:00:00",""
"1553316","11.5078","0.0003","10.0306","0.0003","12.1928","0.0003","90","","101.04","0.001","90","","1381.37","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","2","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54178","CuKα","","0.0361","0.0353","","","0.1017","0.1026","","","","","","1.609","","","","has coordinates","234092","2020-10-21","18:00:00",""
"1553317","7.5723","0.0008","9.7359","0.0012","9.3881","0.0011","90","","102.926","0.007","90","","674.58","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54178","CuKα","","0.1327","0.0804","","","0.2031","0.2664","","","","","","1.114","","","","has coordinates","234092","2020-10-21","18:00:00",""
"1553318","11.6575","0.0003","9.7318","0.0002","15.2642","0.0004","90","","93.137","0.001","90","","1729.11","0.07","273","2","273.08","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li","Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.","Journal of natural products","2018","81","7","1508","1516","10.1021/acs.jnatprod.7b00814","","","1.54178","CuKα","","0.0428","0.0373","","","0.0869","0.0911","","","","","","1.06","","","","has coordinates","234094","2020-10-21","18:00:00",""
"1553325","9.4144","0.0002","25.4932","0.0004","10.9393","0.0002","90","","115.504","0.002","90","","2369.63","0.09","130","0.1","130","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26.5 H31 F N O6 -","- C26.5 H31 F N O6 -","- C106 H124 F4 N4 O24 -","4","2","","Egbewande, Folake A.; Sadowski, Martin C.; Levrier, Claire; Tousignant, Kaylyn D.; White, Jonathan M.; Coster, Mark J.; Nelson, Colleen C.; Davis, Rohan A.","Identification of Gibberellic Acid Derivatives That Deregulate Cholesterol Metabolism in Prostate Cancer Cells.","Journal of natural products","2018","81","4","838","845","10.1021/acs.jnatprod.7b00929","","x-ray","1.54184","CuKα","","0.0377","0.0355","","","0.0891","0.0918","","","","","","1.024","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553327","6.6038","0.0006","20.8285","0.0014","7.1958","0.0006","90","","112.565","0.01","90","","913.99","0.14","105.5","","105.5","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C40 H68 O10 -","2","1","","Zhu, Yu-Xun; Zhang, Zhao-Xin; Yan, Hui-Min; Lu, Di; Zhang, Huan-Ping; Li, Li; Liu, Yun-Bao; Li, Yong","Antinociceptive Diterpenoids from the Leaves and Twigs of Rhododendron decorum.","Journal of natural products","2018","81","5","1183","1192","10.1021/acs.jnatprod.7b00941","","","1.5418","CuKα","","0.0386","0.0381","","","0.1001","0.1012","","","","","","1.076","","","","has coordinates","234108","2020-10-21","18:00:00",""
"1553329","7.4061","0.0003","9.1421","0.0004","14.8478","0.0006","90","","95.826","0.002","90","","1000.11","0.07","298","2","298","2","","","","","","","Extracted from stem-bark of Pleiocarpa pycnantha","4","P 1 21 1","P 2yb","4","Pleiocarpine","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","Ndongo, Joseph T.; Mbing, Joséphine N; Monteillier, Aymeric; Tala, Michel F.; Rütten, Michael; Mombers, Daniel; Cuendet, Muriel; Pegnyemb, Dieudonné E; Dittrich, Birger; Laatsch, Hartmut","Carbazole-, Aspidofractinine-, and Aspidocarpamine-Type Alkaloids from Pleiocarpa pycnantha.","Journal of natural products","2018","81","5","1193","1202","10.1021/acs.jnatprod.7b00958","","","0.71073","MoKα","","0.07","0.033","","","","0.036","","","","","","2.221","","","","has coordinates","234110","2020-10-21","18:00:00",""
"1553341","14.958","0.003","4.754","0.001","15.974","0.003","90","","100.84","0.03","90","","1115.6","0.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O11 -","- C22 H28 O11 -","- C44 H56 O22 -","2","1","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","0.71073","MoKα","","0.0657","0.0492","","","0.1141","0.1229","","","","","","1.028","","","","has coordinates","234132","2020-10-21","18:00:00",""
"1553349","18.2722","0.0007","8.8097","0.0004","30.3644","0.0012","90","","106.554","0.002","90","","4685.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C208 H240 O72 -","8","4","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0398","0.0362","","","0.0937","0.0975","","","","","","1.022","","","","has coordinates","234147","2020-10-21","18:00:00",""
"1553350","12.239","0.0016","8.3534","0.001","23.758","0.003","90","","97.666","0.007","90","","2407.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","2","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.1619","0.1406","","","0.3624","0.3854","","","","","","1.617","","","","has coordinates","234149","2020-10-21","18:00:00",""
"1553353","6.0061","0.0003","25.4056","0.0009","13.9957","0.0007","90","","92.894","0.004","90","","2132.86","0.17","107.8","0.2","107.8","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","3","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","x-ray","1.54184","CuKα","","0.0441","0.041","","","0.1008","0.1039","","","","","","1.027","","","","has coordinates","234155","2020-10-21","18:00:00",""
"1553359","8.3572","0.0003","11.9056","0.0002","9.5276","0.0004","90","","110.117","0.005","90","","890.14","0.06","97.6","","97.6","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C40 H40 O14 -","2","1","","Ren, Fengxia; Chen, Shenxi; Zhang, Yang; Zhu, Shuaiming; Xiao, Junhai; Liu, Xingzhong; Su, Ruibin; Che, Yongsheng","Hawaiienols A-D, Highly Oxygenated p-Terphenyls from an Insect-Associated Fungus, Paraconiothyrium hawaiiense.","Journal of natural products","2018","81","8","1752","1759","10.1021/acs.jnatprod.8b00106","","","1.5418","CuKα","","0.04","0.0397","","","0.1044","0.1047","","","","","","1.044","","","","has coordinates","234165","2020-10-21","18:00:00",""
"1553362","8.2777","0.0008","11.3247","0.0009","10.202","0.0007","90","","94.708","0.008","90","","953.13","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Alstonoxine F","","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C40 H56 N4 O10 -","2","1","","Yeap, Joanne Soon-Yee; Navanesan, Suerialoasan; Sim, Kae-Shin; Yong, Kien-Thai; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ajmaline, Oxindole, and Cytotoxic Macroline-Akuammiline Bisindole Alkaloids from Alstonia penangiana.","Journal of natural products","2018","81","5","1266","1277","10.1021/acs.jnatprod.8b00170","","","1.54184","CuKα","","0.0832","0.0714","","","0.1866","0.1984","","","","","","1.256","","","","has coordinates","234170","2020-10-21","18:00:00",""
"1553363","9.4917","0.0006","12.8453","0.0009","18.5275","0.001","90","","99.113","0.006","90","","2230.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Angustilongine A","","","- C45 H56 Cl6 N4 O5 -","- C45 H56 Cl6 N4 O5 -","- C90 H112 Cl12 N8 O10 -","2","1","","Yeap, Joanne Soon-Yee; Navanesan, Suerialoasan; Sim, Kae-Shin; Yong, Kien-Thai; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ajmaline, Oxindole, and Cytotoxic Macroline-Akuammiline Bisindole Alkaloids from Alstonia penangiana.","Journal of natural products","2018","81","5","1266","1277","10.1021/acs.jnatprod.8b00170","","","0.71073","MoKα","","0.0535","0.0445","","","0.1216","0.1429","","","","","","1.083","","","","has coordinates","234171","2020-10-21","18:00:00",""
"1553365","7.2485","0.0002","11.0572","0.0004","17.0554","0.0006","90","","99.689","0.002","90","","1347.46","0.08","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H45 O5 -","- C30 H46 O5 -","- C60 H92 O10 -","2","1","","Bai, Wei; Yang, Hong-Ying; Jiao, Xing-Zhi; Feng, Ke-Na; Chen, Jian-Jun; Gao, Kun","Structurally Diverse Highly Oxygenated Triterpenoids from the Roots of Ailanthus altissima and Their Cytotoxicity.","Journal of natural products","2018","81","8","1777","1785","10.1021/acs.jnatprod.8b00208","","","1.54178","CuKα","","0.0371","0.0356","","","0.0906","0.092","","","","","","1.042","","","","has coordinates","234175","2020-10-21","18:00:00",""
"1553370","8.2372","0.0002","25.7913","0.0007","9.2037","0.0002","90","","102.626","0.003","90","","1908.02","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","2","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0856","0.0707","","","0.1832","0.2058","","","","","","1.033","","","","has coordinates","234184","2020-10-21","18:00:00",""
"1553380","7.72842","0.00007","10.28179","0.0001","15.3023","0.00015","90","","91.9454","0.0009","90","","1215.25","0.02","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C58 H70 N2 O6 -","2","1","","Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong","LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla.","Journal of natural products","2018","81","11","2371","2380","10.1021/acs.jnatprod.8b00338","","x-ray","1.54184","CuKα","","0.0564","0.0488","","","0.1023","0.1098","","","","","","1.148","","","","has coordinates","234201","2020-10-21","18:00:00",""
"1553381","5.6966","0.0003","5.6223","0.0002","22.2355","0.0014","90","","95.895","0.006","90","","708.39","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","","Pang, Xiaoyan; Lin, Xiuping; Yang, Jie; Zhou, Xuefeng; Yang, Bin; Wang, Junfeng; Liu, Yonghong","Spiro-Phthalides and Isocoumarins Isolated from the Marine-Sponge-Derived Fungus Setosphaeria sp. SCSIO41009.","Journal of natural products","2018","81","8","1860","1868","10.1021/acs.jnatprod.8b00345","","x-ray","1.54184","CuKα","","0.0752","0.0633","","","0.1729","0.1907","","","","","","1.102","","","","has coordinates","234203","2020-10-21","18:00:00",""
"1553384","11.0078","0.0009","6.8749","0.0008","12.6547","0.0012","90","","98.677","0.008","90","","946.72","0.16","296.56","0.1","296.56","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Wei, Wen-Jun; Song, Qiu-Yan; Zheng, Zai-Qin; Yao, Xiaojun; Li, Ya; Gao, Kun","Phytotoxic ent-Isopimarane-Type Diterpenoids from Euphorbia hylonoma.","Journal of natural products","2018","81","11","2381","2391","10.1021/acs.jnatprod.8b00365","","","0.71073","MoKα","","0.1126","0.0631","","","0.1134","0.1435","","","","","","1.002","","","","has coordinates","234207","2020-10-21","18:00:00",""
"1553386","10.7912","0.0006","7.2246","0.0004","11.6007","0.0006","90","","96.97","0.003","90","","897.73","0.08","296","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C36 H52 O14 -","2","1","","Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng","Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.","Journal of natural products","2018","81","10","2195","2204","10.1021/acs.jnatprod.8b00386","","","1.54178","CuKα","","0.0625","0.0505","","","0.1475","0.159","","","","","","1.057","","","","has coordinates","234210","2020-10-21","18:00:00",""
"1553387","8.9106","0.0001","10.0011","0.0002","11.0207","0.0002","90","","110.689","0.001","90","","918.78","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C38 H52 O14 -","2","1","","Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng","Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.","Journal of natural products","2018","81","10","2195","2204","10.1021/acs.jnatprod.8b00386","","","1.54178","CuKα","","0.0333","0.0331","","","0.0926","0.0928","","","","","","1.113","","","","has coordinates","234212","2020-10-21","18:00:00",""
"1553393","5.3774","0.0003","14.7492","0.0006","43.061","0.002","90","","90.817","0.005","90","","3414.9","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O3 -","- C28 H36 O3 -","- C168 H216 O18 -","6","3","","Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.","Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.","Journal of natural products","2018","81","12","2654","2666","10.1021/acs.jnatprod.8b00458","","x-ray","1.54184","CuKα","","0.0767","0.0646","","","0.169","0.18","","","","","","1.046","","","","has coordinates","234223","2020-10-21","18:00:00",""
"1553394","6.3352","0.0003","39.6779","0.0016","11.4316","0.0005","90","","90.621","0.002","90","","2873.4","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26.5 H50 O11.5 -","- C26.5 H50 O11.5 -","- C106 H200 O46 -","4","2","","Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin","Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.","Journal of natural products","2018","81","12","2673","2681","10.1021/acs.jnatprod.8b00490","","","1.54178","CuKα","","0.0723","0.0594","","","0.1552","0.167","","","","","","1.061","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553396","12.2958","0.0004","6.6149","0.0002","15.8066","0.0005","90","","92.789","0.001","90","","1284.11","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H44 O10 -","- C26 H44 O10 -","- C52 H88 O20 -","2","1","","Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin","Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.","Journal of natural products","2018","81","12","2673","2681","10.1021/acs.jnatprod.8b00490","","","1.54178","CuKα","","0.0422","0.0391","","","0.106","0.1084","","","","","","1.046","","","","has coordinates","234228","2020-10-21","18:00:00",""
"1553398","14.1355","0.0004","18.3034","0.0004","20.5777","0.0006","90","","97.024","0.003","90","","5284.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","EUD15","EUD15","","- C36 H48 O9 -","- C36 H48 O9 -","- C216 H288 O54 -","6","3","","Kúsz, Norbert; Orvos, Péter; Bereczki, Laura; Fertey, Pierre; Bombicz, Petra; Csorba, Attila; Tálosi, László; Jakab, Gusztáv; Hohmann, Judit; Rédei, Dóra","Diterpenoids from Euphorbia dulcis with Potassium Ion Channel Inhibitory Activity with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effect.","Journal of natural products","2018","81","11","2483","2492","10.1021/acs.jnatprod.8b00500","","x-ray","0.7999","synchrotron","","0.0659","0.0613","","","0.1714","0.1786","","","","","","1.078","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553420","12.5809","0.0003","8.9728","0.0002","13.319","0.0003","90","","93.554","","90","","1500.64","0.06","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2.632 H5.053 N0.211 O0.526 S0.105 Si0.105 -","- C2.63158 H5.05263 N0.210526 O0.526316 S0.105263 Si0.105263 -","- C50 H96 N4 O10 S2 Si2 -","19","9.5","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.1561","0.0612","","","0.1222","0.2001","","","","","","0.9634","","","","has coordinates","234977","2020-10-21","18:00:00",""
"1553431","9.837","0.002","10.113","0.002","14.456","0.003","90","","106.063","0.008","90","","1382","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N4 O3 -","- C31 H28 N4 O3 -","- C62 H56 N8 O6 -","2","1","","Zhu, Yi; Li, Yao; Meng, Qingbin; Li, Xin","An organocatalytic enantioselective vinylogous Mannich reaction of α,α-dicyanoolefins with isatin N-Boc ketimines","Organic Chemistry Frontiers","2016","3","6","709","","10.1039/C6QO00038J","","","1.54187","CuKα","","0.0283","0.0278","","","0.0742","0.0783","","","","","","1.069","","","","has coordinates","234989","2020-10-21","18:00:00",""
"1553446","12.5457","0.0006","22.382","0.001","12.6621","0.0005","90","","92.052","0.001","90","","3553.2","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H56 Au Cl N O P S -","- C36 H56 Au Cl N O P S -","- C144 H224 Au4 Cl4 N4 O4 P4 S4 -","4","2","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0372","0.033","","","0.0732","0.0763","","","","","","1.044","","","","has coordinates","235003","2020-10-21","18:00:00",""
"1553479","12.766","0.003","16.24","0.003","13.427","0.003","90","","107.96","0.03","90","","2648","1.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R,8S,9R,10R)-2-(4-Chlorophenyl)-8-(2-methoxyphenyl)-4-methyl-9-nitro-10-(3-nitrophenyl)-2,3-diazaspiro[4.5]dec-3-ene-1,6-dione","","- C28 H23 Cl N4 O7 -","- C28 H23 Cl N4 O7 -","- C112 H92 Cl4 N16 O28 -","4","2","","Li, Jun-Hua; Cui, Zhi-Hao; Du, Da-Ming","Diastereo- and enantioselective construction of cyclohexanone-fused spirospyrazolones containing four consecutive stereocenters through asymmetric sequential reactions","Organic Chemistry Frontiers","2016","3","9","1087","","10.1039/C6QO00208K","","","0.71073","MoKα","","0.0808","0.0718","","","0.1939","0.2157","","","","","","1.11","","","","has coordinates","235038","2020-10-21","18:00:00",""
"1553509","10.178","0.001","21.78","0.001","11.615","0.001","90","","90.547","0.001","90","","2574.7","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,6R,7S,7aR)-7-(tert-butoxy)tetrahydro-3aH-spiro [1,6-methanopyrano[4,3-c]isoxazole-3,1'-cyclopropane]","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C104 H168 N8 O24 -","8","4","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0535","0.045","","","0.1106","0.117","","","","","","1.064","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553511","7.252","0.001","25.57","0.001","14.465","0.001","90","","100.17","0.002","90","","2640.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4S,4aR,8aS,11R,12S,12aR,16aS)-4,12-di-tert-butoxydodecahydro-3,5:11,13- dimethanodipyrano[4,3-b:4',3'-h][1,7]diazacyclododecine-8,16(3H,11H)-dione","","- C26 H42 N2 O6 -","- C26 H42 N2 O6 -","- C104 H168 N8 O24 -","4","2","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0632","0.0492","","","0.1151","0.125","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553530","7.455","0.0005","11.3624","0.0007","18.4877","0.0013","90","","92.585","0.006","90","","1564.44","0.18","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H53 N O3 -","- C35 H53 N O3 -","- C70 H106 N2 O6 -","2","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0628","0.0567","","","0.1539","0.1616","","","","","","1.04","","","","has coordinates","235102","2020-10-21","18:00:00",""
"1553553","5.828","0.0006","8.2327","0.0008","16.8844","0.0016","90","","98.492","0.003","90","","801.23","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C38 H34 Cl2 O2 -","2","1","","Luo, Hongwen; Yu, Yihua; Ma, Shengming","Suzuki coupling for preparation of allenes ‒ ligand effects and chirality transfer","Organic Chemistry Frontiers","2016","3","12","1705","","10.1039/C6QO00489J","","","0.71073","MoKα","","0.0341","0.0314","","","0.0819","0.0839","","","","","","1.033","","","","has coordinates","235125","2020-10-21","18:00:00",""
"1553556","11.4186","0.0019","9.7011","0.0017","13.152","0.002","90","","92.473","0.004","90","","1455.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O8 S -","- C29 H25 Cl N2 O8 S -","- C58 H50 Cl2 N4 O16 S2 -","2","1","","He, Fu-Sheng; Li, Cong-Shan; Deng, Hua; Zheng, Xing; Yang, Zhong-Tao; Deng, Wei-Ping","The facile and stereoselective synthesis of pyrrolidine β-amino acids via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","1","52","","10.1039/C6QO00512H","","","0.71073","MoKα","","0.0552","0.0461","","","0.1112","0.1179","","","","","","1","","","","has coordinates","235129","2020-10-21","18:00:00",""
"1553568","8.902","0.006","13.209","0.009","12.059","0.008","90","","99.65","0.007","90","","1397.9","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C66 H60 N8 O6 -","2","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0389","0.0335","","","0.0782","0.0823","","","","","","1.051","","","","has coordinates","235147","2020-10-21","18:00:00",""
"1553577","7.813","0.004","5.321","0.003","15.394","0.008","90","","91.594","0.008","90","","639.7","0.6","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C30 H30 Br2 O4 -","2","1","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0582","0.0575","","","0.1494","0.1501","","","","","","1.071","","","","has coordinates","235164","2020-10-21","18:00:00",""
"1553732","7.7869","0.0006","10.8732","0.0008","8.8809","0.0007","90","","95.062","0.001","90","","749","0.1","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl2 F3 N O2 S2 -","- C11 H14 Cl2 F3 N O2 S2 -","- C22 H28 Cl4 F6 N2 O4 S4 -","2","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0292","0.0285","","","0.072","0.0725","","","","","","1.035","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553733","12.4266","0.0017","8.8229","0.0012","15.107","0.002","90","","105.7","0.003","90","","1594.5","0.4","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H20 F3 N O4 S2 -","- C13 H20 F3 N O4 S2 -","- C52 H80 F12 N4 O16 S8 -","4","2","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0445","0.0379","","","0.0862","0.0904","","","","","","1.033","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553746","8.6132","0.0015","7.4744","0.0014","12.867","0.003","90","","109.429","0.005","90","","781.2","0.3","296","2","296","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","(R)-6-methyl-N-(1-nitro-2-phenylpropan-2-yl)pyridine-2-sulfonamide","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C30 H34 N6 O8 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0385","0.0352","","","0.0849","0.0874","","","","","","1.047","","","","has coordinates","235968","2020-10-21","18:00:00",""
"1553775","8.6045","0.0006","11.4959","0.0007","10.3691","0.0006","90","","114.544","0.002","90","","933","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C42 H34 Cl2 F6 N6 -","2","1","","Xie, En; Rahman, Abdul; Lin, Xufeng","Asymmetric synthesis of CF3- and indole-containing tetrahydro-β-carbolines via chiral spirocyclic phosphoric acid-catalyzed aza-Friedel‒Crafts reaction","Organic Chemistry Frontiers","2017","4","7","1407","","10.1039/C7QO00229G","","","0.71073","MoKα","","0.0749","0.0341","","","0.0633","0.0903","","","","","","1.003","","","","has coordinates","236013","2020-10-21","18:00:00",""
"1553778","11.3637","0.0004","6.0455","0.0003","11.3636","0.0004","90","","98.45","","90","","772.2","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0426","0.0352","","","0.0792","0.083","","","","","","1.047","","","","has coordinates","236017","2020-10-21","18:00:00",""
"1553796","10.4368","0.0004","6.0294","0.0002","15.7294","0.0005","90","","107.537","0.004","90","","943.81","0.06","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C42 H36 Br2 N2 O6 -","2","1","","De Munck, Lode; Sukowski, Verena; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective aza-Reformatsky reaction with seven-membered cyclic imines dibenzo[b,f][1,4]oxazepines","Organic Chemistry Frontiers","2017","4","8","1624","","10.1039/C7QO00329C","","","0.71073","MoKα","","0.0494","0.0362","","","0.0782","0.0855","","","","","","0.969","","","","has coordinates","236041","2020-10-21","18:00:00",""
"1553807","8.2203","0.0005","9.1263","0.0005","13.0906","0.0007","90","","102.302","0.006","90","","959.52","0.1","106.3","","106.3","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama‒Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0372","0.0366","","","0.0978","0.0986","","","","","","1.032","","","","has coordinates","236054","2020-10-21","18:00:00",""
"1553836","6.9086","0.0008","9.5831","0.0007","19.453","0.002","90","","96.737","0.01","90","","1279","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Zhang, Wei; Yu, Wenlong; Yan, Qiangqiang; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of substituted oxazoles via Pd-catalyzed tandem oxidative cyclization","Organic Chemistry Frontiers","2017","4","12","2428","","10.1039/C7QO00517B","","","0.71073","MoKα","","0.1472","0.1365","","","0.3471","0.3583","","","","","","1.333","","","","has coordinates","236076","2020-10-21","18:00:00",""
"1553859","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553862","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C82 H85 O12 -","- C82 H85 O12 -","- C328 H340 O48 -","4","2","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553870","7.9044","0.0001","11.5678","0.0002","15.8146","0.0002","90","","98.267","0.001","90","","1431.01","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C62 H76 O18 -","2","1","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.035","0.0337","","","0.0879","0.0896","","","","","","1.03","","","","has coordinates","236108","2020-10-21","18:00:00",""
"1553894","10.31419","0.00017","19.2062","0.0003","11.0205","0.0002","90","","109.532","0.002","90","","2057.49","0.07","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","2","","Ruan, Sai; Lin, Xiaobin; Xie, Lihua; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua","Asymmetric synthesis of 3-aminodihydrocoumarins via the chiral guanidine catalyzed cascade reaction of azlactones","Organic Chemistry Frontiers","2018","5","1","32","","10.1039/C7QO00768J","","x-ray","1.54184","CuKα","","0.0427","0.0414","","","0.1079","0.1097","","","","","","1.061","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553907","16.1979","0.0011","9.8887","0.0007","17.2384","0.0015","90","","100.854","0.002","90","","2711.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","FeCl2-OIP-iPr","","- C25.5 H35 Cl2 Fe N3 O1.5 -","- C25.5 H35 Cl2 Fe N3 O1.5 -","- C102 H140 Cl8 Fe4 N12 O6 -","4","2","","Chen, Jianhui; Xi, Tuo; Lu, Zhan","10 gram-scale synthesis of a chiral oxazoline iminopyridine ligand and its applications","Organic Chemistry Frontiers","2018","5","2","247","","10.1039/C7QO00816C","","","0.71073","MoKα","","0.1689","0.0788","","","0.1317","0.1638","","","","","","1","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553911","11.2639","0.0012","15.6341","0.0017","13.7495","0.0015","90","","110.204","0.002","90","","2272.3","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","{7,16-bis[2-(prop-2-yn-1-yloxy)benzoyl]-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato(2-)k^4^N} zinc(II)","","- C46 H50 N4 O8 S4 Zn -","- C46 H50 N4 O8 S4 Zn -","- C92 H100 N8 O16 S8 Zn2 -","2","1","","Zwoliński, K. M.; Sieroń, L.; Eilmes, J.","One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges","Organic Chemistry Frontiers","2018","5","2","171","","10.1039/C7QO00821J","","","0.71073","MoKα","","0.0275","0.0269","","","0.0703","0.0708","","","","","","1.011","","","","has coordinates,has disorder","236157","2020-10-21","18:00:00",""
"1553921","10.7137","0.0003","14.9388","0.0004","11.2075","0.0004","90","","101.824","0.003","90","","1755.7","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 B2 N2 -","- C44 H56 B2 N2 -","- C88 H112 B4 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0572","0.0464","","","0.096","0.1036","","","","","","1.039","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553948","13.1217","0.0007","8.2301","0.0004","15.9865","0.0009","90","","109.525","0.006","90","","1627.15","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 N2 O3.5 S -","- C17 H15.5 N2 O3.5 S -","- C68 H62 N8 O14 S4 -","4","2","","Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia","Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2018","5","6","929","","10.1039/C7QO01014A","","","0.71073","MoKα","","0.0764","0.0593","","","0.1473","0.1627","","","","","","1.015","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554004","8.054","0.003","5.95","0.002","17.507","0.006","90","","95.31","0.005","90","","835.4","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N5 O -","- C16 H24 N5 O -","- C32 H48 N10 O2 -","2","1","","Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.","Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.","The journal of physical chemistry. A","2015","119","43","10750","10760","10.1021/acs.jpca.5b09295","","","0.71073","MoKα","","0.0713","0.0498","","","0.1212","0.1358","","","","","","1.046","","","","has coordinates","236414","2020-10-21","18:00:00",""
"1554049","8.3747","0.0007","7.8561","0.0006","14.2286","0.0012","90","","100.751","0.001","90","","919.7","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Br O6 Ru -","- C17 H18 Br O6 Ru -","- C34 H36 Br2 O12 Ru2 -","2","1","","Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go","Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study.","The journal of physical chemistry. B","2018","122","46","10615","10626","10.1021/acs.jpcb.8b07653","","","0.71073","MoKα","","0.0212","0.0199","","","0.0455","0.0459","","","","","","0.826","","","","has coordinates","236496","2020-10-21","18:00:00",""
"1554092","11.584","0.002","12.031","0.002","18.156","0.004","90","","96.06","0.03","90","","2516.2","0.8","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.0896","0.0424","","","0.0983","0.1271","","","","","","1.012","","","","has coordinates,has disorder","236559","2020-10-21","18:00:00",""
"1554097","11.4","0.03","19.6","0.05","11.58","0.03","90","","91.95","0.05","90","","2586","12","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1595","0.0858","","","0.2166","0.2591","","","","","","1.028","","","","has coordinates","236566","2020-10-21","18:00:00",""
"1554100","11.4015","0.0008","19.6478","0.0015","11.6171","0.0009","90","","91.917","0.003","90","","2600.9","0.3","293.15","","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","1.54184","CuKα","","0.1014","0.0802","","","0.2143","0.2676","","","","","","1.11","","","","has coordinates","236572","2020-10-21","18:00:00",""
"1554144","8.5059","0.0012","5.7021","0.0008","12.074","0.002","90","","90.569","0.005","90","","585.58","0.15","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-benzyl-7-nitro-3H-imidazo[4,5-b]pyridine","","- C13 H10 N4 O2 -","- C13 H10 N4 O2 -","- C26 H20 N8 O4 -","2","1","","Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi","Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions","The Journal of Physical Chemistry C","2019","123","34","20928","","10.1021/acs.jpcc.9b05033","","","0.71075","MoKα","","0.118","0.1131","","","0.3503","0.3531","","","","","","1.126","","","","has coordinates","236634","2020-10-21","18:00:00",""
"1554164","8.5926","0.0016","6.5428","0.0013","20.975","0.004","90","","99.002","0.004","90","","1164.7","0.4","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N O P -","- C28 H30 N O P -","- C56 H60 N2 O2 P2 -","2","1","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer","Macromolecules","2016","49","11","4067","","10.1021/acs.macromol.6b00667","","x-ray","0.71073","MoKα","","0.0461","0.0382","","","0.0866","0.0904","","","","","","1.022","","","","has coordinates","236709","2020-10-21","18:00:00",""
"1554185","14.24","0.005","14.762","0.004","16.651","0.005","90","","107.263","0.004","90","","3342.5","1.8","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 O7 S -","- C34 H40 N2 O7 S -","- C136 H160 N8 O28 S4 -","4","2","","Yamamoto, Kosuke; Ishimaru, Shota; Oyama, Tatsuya; Tanigawa, Satoko; Kuriyama, Masami; Onomura, Osamu","Enantioselective Synthesis of α-Substituted Serine Derivatives via Cu-Catalyzed Oxidative Desymmetrization of 2-Amino-1,3-diols","Organic Process Research & Development","2019","23","4","660","","10.1021/acs.oprd.8b00407","","","0.71075","MoKα","","0.0785","0.0591","","","0.1138","0.1262","","","","","","1.019","","","","has coordinates","236745","2020-10-21","18:00:00",""
"1554187","11.4365","0.0008","7.5623","0.0005","15.4088","0.0011","90","","110.202","0.002","90","","1250.67","0.15","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H35 B N2 O4 S -","- C24 H35 B N2 O4 S -","- C48 H70 B2 N4 O8 S2 -","2","1","","Kim, Jeongho; Hwang, Chiwon; Kim, Youngmin; Cho, Seung Hwan","Improved Synthesis of β-Aminoboronate Esters via Copper-Catalyzed Diastereo- and Enantioselective Addition of 1,1-Diborylalkanes to Acyclic Arylaldimines","Organic Process Research & Development","2019","23","8","1663","","10.1021/acs.oprd.9b00179","","","0.71073","MoKα","","0.0648","0.0468","","","0.1037","0.113","","","","","","1.025","","","","has coordinates","236749","2020-10-21","18:00:00",""
"1554228","9.825","0.0002","9.4992","0.0002","10.7097","0.0002","90","","107.106","0.002","90","","955.32","0.03","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0545","0.0519","","","0.1317","0.1344","","","","","","1.063","","","","has coordinates","237041","2020-10-21","18:00:00",""
"1554242","10.83","0.008","7.65","0.006","12.063","0.009","90","","103.07","0.03","90","","973.5","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C46 H34 N6 O6 -","2","1","","He, Yanling; Li, Yuanyuan; Su, Huifang; Si, Yue; Liu, Yuanyuan; Peng, Qiuchen; He, Juan; Hou, Hongwei; Li, Kai","An o-phthalimide-based multistimuli-responsive aggregation-induced emission (AIE) system","Materials Chemistry Frontiers","2019","3","1","50","","10.1039/C8QM00454D","","","0.71073","MoKα","","0.055","0.0423","","","0.1071","0.1139","","","","","","1.126","","","","has coordinates","237054","2020-10-21","18:00:00",""
"1554257","12.0999","0.0003","8.9388","0.0002","17.0397","0.0004","90","","90.378","0.002","90","","1842.95","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Lithocarpin A","w-36","","- C38 H43 Cl3 O11 -","- C38 H43 Cl3 O11 -","- C76 H86 Cl6 O22 -","2","1","","Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin","Lithocarpins A‒D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508","Organic Chemistry Frontiers","2018","5","11","1792","","10.1039/C8QO00095F","","x-ray","1.54184","CuKα","","0.094","0.0906","","","0.2611","0.265","","","","","","1.036","","","","has coordinates,has disorder","237071","2020-10-21","18:00:00",""
"1554258","8.8203","0.0001","9.95","0.0002","11.3663","0.0002","90","","104.882","0.002","90","","964.07","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","","Hu, Li-Jun; Cheng, Min-Jing; Cao, Jia-Qing; Zhong, Li-Ping; Hu, Ya-Jian; Wang, Ying; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Asymmetric total syntheses of callistrilones B, G and J","Organic Chemistry Frontiers","2018","5","9","1506","","10.1039/C8QO00130H","","x-ray","1.54178","CuKα","","0.03","0.0298","","","0.0801","0.0804","","","","","","1.046","","","","has coordinates","237073","2020-10-21","18:00:00",""
"1554269","13.7347","0.0009","21.989","0.0014","13.7372","0.0011","90","","110.63","0.007","90","","3882.8","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H104 O26 S3 -","- C76 H84 O26 S3 -","- C152 H168 O52 S6 -","2","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.1566","0.1161","","","0.2152","0.2368","","","","","","1.02","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554300","6.96436","0.00013","7.91974","0.00013","15.2392","0.0003","90","","92.2266","0.0016","90","","839.9","0.03","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","ZHY8126","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","1.54184","CuKα","","0.041","0.0395","","","0.1052","0.1077","","","","","","1.029","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554304","5.9758","0.0003","8.5937","0.0004","15.7695","0.0007","90","","93.352","0.002","90","","808.45","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C34 H36 Cl2 N2 O4 -","2","1","","Hu, Yang; Yin, Xuguang; Chen, Ziyi; Dong, Xiu-Qin; Zhang, Xumu","Highly enantioselective Ir/f-amphox-catalyzed hydrogenation of ketoamides: efficient access to chiral hydroxy amides","Organic Chemistry Frontiers","2018","5","12","2000","","10.1039/C8QO00307F","","","1.54178","CuKα","","0.0426","0.0371","","","0.1144","0.1175","","","","","","1.131","","","","has coordinates","237110","2020-10-21","18:00:00",""
"1554312","10.573","0.004","7.311","0.002","11.35","0.004","90","","115.216","0.005","90","","793.7","0.5","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C32 H34 Br2 O8 -","2","1","","Li, Sujia; Lv, Jian; Luo, Sanzhong","Enantioselective indium(i)-catalyzed [4 + 2] annulation of alkoxyallenes and β,γ-unsaturated α-keto esters","Organic Chemistry Frontiers","2018","5","11","1787","","10.1039/C8QO00319J","","","0.71073","MoKα","","0.0388","0.0359","","","0.077","0.0793","","","","","","1.076","","","","has coordinates","237118","2020-10-21","18:00:00",""
"1554315","7.3563","0.0012","46.699","0.007","12.909","0.002","90","","92.798","0.004","90","","4429.4","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H40.5 O3.25 Si -","- C20 H40.5 O3.25 Si -","- C160 H324 O26 Si8 -","8","4","","Santalla, Hugo; Garrido, Fátima; Gómez, Generosa; Fall, Yagamare","A more reliable synthesis of a Gemini vitamin D analog, a potentially effective chemotherapeutic agent for the treatment of colorectal carcinomas","Organic Chemistry Frontiers","2018","5","13","2016","","10.1039/C8QO00338F","","","0.71073","MoKα","","0.2634","0.1846","","","0.3663","0.4018","","","","","","1.088","","","","has coordinates","237122","2020-10-21","18:00:00",""
"1554322","6.3467","0.00018","16.1435","0.0004","10.7987","0.0003","90","","96.301","0.003","90","","1099.73","0.05","295.97","0.11","295.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N O4 S -","- C26 H21 N O4 S -","- C52 H42 N2 O8 S2 -","2","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0639","0.0618","","","0.1519","0.1572","","","","","","1.077","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554323","10.4185","0.0009","15.4927","0.0012","15.8277","0.0018","90","","95.756","0.008","90","","2541.9","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H22 Cl N O2 S -","- C30 H22 Cl N O2 S -","- C120 H88 Cl4 N4 O8 S4 -","4","2","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","0.71073","MoKα","","0.1377","0.1004","","","0.2762","0.3105","","","","","","1.026","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554332","15.3329","0.0008","18.3488","0.001","15.6332","0.0008","90","","99.6319","0.001","90","","4336.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95.5 H118 Cl4.5 O4.93 -","- C95.5 H118 Cl4.497 O4.855 -","- C191 H236 Cl8.994 O9.71 -","2","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1041","0.0787","","","0.2132","0.2326","","","","","","1.061","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554354","6.4711","0.0006","15.6577","0.0015","9.2786","0.0009","90","","90.334","0.007","90","","940.12","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O7 -","- C19 H26 O7 -","- C38 H52 O14 -","2","1","","Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong","Structurally diverse diterpenoids from Isodon pharicus","Organic Chemistry Frontiers","2018","5","15","2379","","10.1039/C8QO00477C","","","1.54178","CuKα","","0.1943","0.1909","","","0.4189","0.4274","","","","","","1.932","","","","has coordinates","237151","2020-10-21","18:00:00",""
"1554358","12.874","0.0005","4.9","0.0002","13.9299","0.0006","90","","93.36","0.003","90","","877.22","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Cheng, Yuyu; Fang, Zhiqiang; Li, Wenjun; Li, Pengfei","Phosphine-mediated enantioselective [4 + 1] annulations between ortho-quinone methides and Morita‒Baylis‒Hillman carbonates","Organic Chemistry Frontiers","2018","5","18","2728","","10.1039/C8QO00487K","","x-ray","1.54178","CuKα","","0.079","0.0699","","","0.1821","0.1928","","","","","","1.048","","","","has coordinates,has disorder","237154","2020-10-21","18:00:00",""
"1554365","12.6497","0.0005","9.0221","0.0002","14.1532","0.0005","90","","113.568","0.004","90","","1480.53","0.1","294.46","0.1","294.46","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H32 Br N3 O3 -","- C35 H32 Br N3 O3 -","- C70 H64 Br2 N6 O6 -","2","1","","Mei, Hongjiang; Lin, Lili; Shen, Bin; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective desymmetrization of prochiral cyclic α,α-dicyanoalkenes via the direct vinylogous Michael/cyclization domino reaction","Organic Chemistry Frontiers","2018","5","16","2505","","10.1039/C8QO00545A","","x-ray","1.54184","CuKα","","0.0462","0.0455","","","0.1144","0.1157","","","","","","1.072","","","","has coordinates","237159","2020-10-21","18:00:00",""
"1554367","7.5235","0.0007","5.5446","0.0008","10.2976","0.001","90","","99.85","0.01","90","","423.23","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N O -","- C10 H9 N O -","- C20 H18 N2 O2 -","2","1","","Wu, Qi; Li, Yabo; Wang, Chenyang; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","1,4-Refunctionalization of β-diketones to γ-keto nitriles via C‒C single bond cleavage","Organic Chemistry Frontiers","2018","5","16","2496","","10.1039/C8QO00556G","","x-ray","1.54184","CuKα","","0.0863","0.0682","","","0.1904","0.2218","","","","","","1.054","","","","has coordinates","237161","2020-10-21","18:00:00",""
"1554369","10.757","0.009","12.558","0.01","14.389","0.012","90","","99.306","0.01","90","","1918","3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H37 Cl3 N2 O2 -","- C43 H37 Cl3 N2 O2 -","- C86 H74 Cl6 N4 O4 -","2","1","","Lu, Yi-Nan; Ma, Chun; Lan, Jin-Ping; Zhu, Caiqiang; Mao, Yu-Jia; Mei, Guang-Jian; Zhang, Shu; Shi, Feng","Catalytic enantioselective and regioselective substitution of 2,3-indolyldimethanols with enaminones","Organic Chemistry Frontiers","2018","5","18","2657","","10.1039/C8QO00565F","","","0.71073","MoKα","","0.1189","0.0663","","","0.1372","0.1587","","","","","","0.988","","","","has coordinates","237164","2020-10-21","18:00:00",""
"1554377","11.0672","0.0002","24.0508","0.0005","11.3892","0.0002","90","","91.3083","0.0019","90","","3030.73","0.1","296.31","0.1","296.31","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N O6 -","- C36 H34 N O6 -","- C144 H136 N4 O24 -","4","2","","Yue, Jing-Fei; Ran, Guang-Yao; Yang, Xing-Xing; Du, Wei; Chen, Ying-Chun","Asymmetric Diels–Alder cycloadditions of benzofulvene-based 2,4-dienals via trienamine activation","Organic Chemistry Frontiers","2018","5","18","2676","","10.1039/C8QO00653A","","x-ray","1.54184","CuKα","","0.0565","0.0538","","","0.14","0.145","","","","","","1.02","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554378","10.2146","0.0004","11.7243","0.0005","10.2644","0.0004","90","","119.315","0.002","90","","1071.84","0.08","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C48 H52 N4 O6 -","2","1","","Zhang, Zi-Jing; Song, Jin","An isothiourea-catalyzed asymmetric formal [4 + 2] cycloaddition of in situ generated azoalkenes with C1 ammonium enolates","Organic Chemistry Frontiers","2018","5","17","2578","","10.1039/C8QO00657A","","","1.34139","GaKα","","0.0428","0.0399","","","0.0983","0.101","","","","","","1.041","","","","has coordinates","237175","2020-10-21","18:00:00",""
"1554404","12.2892","0.0006","11.6999","0.0005","19.3795","0.0009","90","","103.521","0.005","90","","2709.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","zwm-132","","- C29 H37 N O7 -","- C29 H37 N O7 -","- C116 H148 N4 O28 -","4","2","","Fan, Yaqin; Wang, Yi; Fu, Peng; Chairoungdua, Arthit; Piyachaturawat, Pawinee; Zhu, Weiming","Secopaxilline A, an indole-diterpenoid derivative from an aciduric Penicillium fungus, its identification and semisynthesis","Organic Chemistry Frontiers","2018","5","19","2835","","10.1039/C8QO00756J","","","1.54178","CuKα","","0.0676","0.0491","","","0.1065","0.1205","","","","","","1.033","","","","has coordinates","237198","2020-10-21","18:00:00",""
"1554406","13.248","0.002","7.6262","0.0012","27.213","0.004","90","","97.298","0.003","90","","2727.1","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 Br N2 O3 -","- C30 H31 Br N2 O3 -","- C120 H124 Br4 N8 O12 -","4","2","","Yuan, Yang; Zheng, Zhan-Jiang; Ye, Fei; Ma, Jun-Han; Xu, Zheng; Bai, Xing-Feng; Li, Li; Xu, Li-Wen","Highly efficient desymmetrization of cyclopropenes to azabicyclo[3.1.0]hexanes with five continuous stereogenic centers by copper-catalyzed [3 + 2] cycloadditions","Organic Chemistry Frontiers","2018","5","18","2759","","10.1039/C8QO00761F","","","0.71073","MoKα","","0.1405","0.0694","","","0.179","0.2167","","","","","","1.026","","","","has coordinates","237202","2020-10-21","18:00:00",""
"1554407","7.3005","0.0004","12.1224","0.0005","11.9121","0.0006","90","","105.259","0.006","90","","1017.05","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Zhang, Xun; Li, Zhongle; Yong, Huaya; Xie, Zhixiang","Biomimetic syntheses of C23 terpenoids: structural revision of salyunnanin A and confirmation of hassanane","Organic Chemistry Frontiers","2018","5","23","3469","","10.1039/C8QO00772A","","","1.54184","CuKα","","0.0514","0.0506","","","0.1379","0.1395","","","","","","1.04","","","","has coordinates","237204","2020-10-21","18:00:00",""
"1554415","8.6306","0.0004","10.9636","0.0006","14.5139","0.0007","90","","90.644","0.002","90","","1373.25","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O4 S -","- C30 H29 N3 O4 S -","- C60 H58 N6 O8 S2 -","2","1","","Huang, Qiuhong; Cheng, Yuyu; Yuan, Huijun; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective Mannich-type addition of 5H-thiazol-4-ones to isatin-derived imines: access to 3-substituted 3-amino-2-oxindoles featured by vicinal sulfur-containing tetrasubstituted stereocenters","Organic Chemistry Frontiers","2018","5","22","3226","","10.1039/C8QO00814K","","x-ray","0.71073","MoKα","","0.0375","0.0331","","","0.0767","0.0786","","","","","","1.049","","","","has coordinates","237217","2020-10-21","18:00:00",""
"1554424","13.42","0.002","5.3749","0.0008","17.821","0.003","90","","105.381","0.005","90","","1239.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 F N2 O5 S -","- C27 H25 F N2 O5 S -","- C54 H50 F2 N4 O10 S2 -","2","1","","Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing","Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C‒F⋯H‒N interactions on reactivity","Organic Chemistry Frontiers","2018","5","20","2960","","10.1039/C8QO00842F","","","0.71073","MoKα","","0.1349","0.0661","","","0.1551","0.1967","","","","","","1.024","","","","has coordinates","237226","2020-10-21","18:00:00",""
"1554426","10.0137","0.0006","10.3706","0.0006","11.987","0.0007","90","","109.801","0.002","90","","1171.23","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","2","","Kim, Simon J.; Batey, Robert A.","Enantioselective isoquinuclidine synthesis via sequential Diels‒Alder/visible-light photoredox C‒C bond cleavage: a formal synthesis of the indole alkaloid catharanthine","Organic Chemistry Frontiers","2018","5","20","2934","","10.1039/C8QO00849C","","","1.54178","CuKα","","0.0278","0.0276","","","0.0695","0.0697","","","","","","1.09","","","","has coordinates","237227","2020-10-21","18:00:00",""
"1554455","7.266","0.003","11.409","0.005","8.573","0.004","90","","96.695","0.006","90","","705.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","triethylammonium oxabenzo-1,3,2-dioxaphosphol-2-oate","","- C12 H20 N O4 P -","- C12 H20 N O4 P -","- C24 H40 N2 O8 P2 -","2","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0589","0.0429","","","0.0846","0.0915","","","","","","1.038","","","","has coordinates,has disorder","237249","2020-10-21","18:00:00",""
"1554487","13.6363","0.0006","8.5322","0.0003","15.2209","0.0008","90","","116.205","0.001","90","","1588.9","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H31 N3 O4 S -","- C37 H31 N3 O4 S -","- C74 H62 N6 O8 S2 -","2","1","","Gu, Bo-Qi; Yang, Wu-Lin; Wu, Shu-Xiao; Wang, Yan-Bing; Deng, Wei-Ping","Organocatalytic asymmetric synthesis of tetrahydrocarbazoles via an inverse-electron-demand Diels‒Alder reaction of 2,3-indole-dienes with enals","Organic Chemistry Frontiers","2018","5","23","3430","","10.1039/C8QO01042K","","","0.71073","MoKα","","0.0513","0.0388","","","0.0783","0.0857","","","","","","1.063","","","","has coordinates","237275","2020-10-21","18:00:00",""
"1554496","8.5256","0.0003","16.9053","0.0005","8.9274","0.0003","90","","112.31","0.004","90","","1190.37","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Xu, Jianfeng; Peng, Jingyi; He, Chonglong; Ren, Hongjun","N-Heterocyclic carbene catalyzed chemo- and enantioselective cross-benzoin reaction of aldehydes with isatins","Organic Chemistry Frontiers","2019","6","2","172","","10.1039/C8QO01085D","","","1.54184","CuKα","","0.0359","0.0348","","","0.0962","0.0974","","","","","","1.045","","","","has coordinates","237284","2020-10-21","18:00:00",""
"1554499","7.8836","0.0005","12.2399","0.0008","11.1988","0.0008","90","","90.174","0.002","90","","1080.62","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 N O2 P -","- C27 H22 N O2 P -","- C54 H44 N2 O4 P2 -","2","1","","Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping","Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides","Organic Chemistry Frontiers","2019","6","2","236","","10.1039/C8QO01098F","","","0.71073","MoKα","","0.0275","0.0269","","","0.0732","0.0738","","","","","","1.026","","","","has coordinates","237291","2020-10-21","18:00:00",""
"1554526","11.4833","0.0006","7.3773","0.0005","13.116","0.0007","90","","96.533","0.004","90","","1103.92","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O8 -","- C21 H28 N2 O8 -","- C42 H56 N4 O16 -","2","1","","Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang","A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921","Organic Chemistry Frontiers","2019","6","6","773","","10.1039/C8QO01166D","","","1.54178","CuKα","","0.1605","0.1491","","","0.3396","0.3552","","","","","","1.408","","","","has coordinates","237312","2020-10-21","18:00:00",""
"1554529","5.4659","0.0012","10.477","0.002","8.1322","0.0017","90","","94.857","0.004","90","","464.03","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C10 H8 F2 N10 O12 -","2","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0763","0.0431","","","0.0688","0.0781","","","","","","0.987","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554552","9.1789","0.0003","10.574","0.0003","11.4116","0.0004","90","","91.684","0.003","90","","1107.11","0.06","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C50 H48 O10 S2 -","2","1","","Zhang, Nan; He, Tingting; Liu, Yidong; Li, Shan; Tan, Yu; Peng, Lei; Li, Dongmei; Shan, Chunhui; Yan, Hailong","Organocatalytic atropo- and E/Z-selective Michael addition reaction of ynones with α-amido sulfones as sulfone-type nucleophile","Organic Chemistry Frontiers","2019","6","4","451","","10.1039/C8QO01241E","","","0.71073","MoKα","","0.0639","0.0464","","","0.0909","0.1016","","","","","","1.046","","","","has coordinates","237333","2020-10-21","18:00:00",""
"1554554","10.5315","0.0008","7.0899","0.0004","12.4878","0.0012","90","","105.29","0.008","90","","899.43","0.13","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O S -","- C20 H29 N O S -","- C40 H58 N2 O2 S2 -","2","1","","Qin, Shuanglin; Liu, Tongtong; Luo, Yunhao; Jiang, Shende; Yang, Guang","Diastereoselective Rh-catalyzed decarboxylative allylation to form quaternary stereocenters using sulfinimine as the directing group","Organic Chemistry Frontiers","2019","6","6","732","","10.1039/C8QO01258J","","","0.71073","MoKα","","0.0454","0.0372","","","0.0829","0.0865","","","","","","1.027","","","","has coordinates","237336","2020-10-21","18:00:00",""
"1554564","5.712","0.004","15.28","0.013","8.28","0.005","90","","104.192","0.015","90","","700.6","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Sun, Yongjie; Jiang, Jun; Guo, Xiaochong; Wen, Jialin; Zhang, Xumu","Asymmetric hydrogenation of α,β-unsaturated sulfones by a rhodium/thiourea‒bisphosphine complex","Organic Chemistry Frontiers","2019","6","9","1438","","10.1039/C8QO01291A","","x-ray","0.71073","MoKα","","0.0256","0.0246","","","0.0619","0.0623","","","","","","1.043","","","","has coordinates","237348","2020-10-21","18:00:00",""
"1554572","8.0275","0.0015","8.0254","0.0017","12.699","0.003","90","","101.787","0.007","90","","800.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C38 H30 N2 O4 S2 -","2","1","","Zhao, Zi-Biao; Shi, Lei; Meng, Fan-Jie; Li, Yaming; Zhou, Yong-Gui","Synthesis of chiral seven-membered cyclic sulfonamides through palladium-catalyzed arylation of cyclic imines","Organic Chemistry Frontiers","2019","6","10","1572","","10.1039/C8QO01323C","","","0.71073","MoKα","","0.0292","0.0285","","","0.0777","0.0784","","","","","","1.056","","","","has coordinates","237358","2020-10-21","18:00:00",""
"1554574","15.1538","0.0003","13.5668","0.0003","27.2737","0.0005","90","","92.794","0.002","90","","5600.5","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Mikki_PCM2_09_04_17","","","- C116 H162 Br F3 O12 -","- C116 H162 Br F3 O12 -","- C232 H324 Br2 F6 O24 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Chiral discrimination of 2-heptlyaminium salt by planar-chiral monohydroxy-functionalized pillar[5]arenes","Organic Chemistry Frontiers","2019","6","5","603","","10.1039/C8QO01343H","","","1.54178","CuKα","","0.1467","0.1071","","","0.2924","0.3259","","","","","","1.079","","","","has coordinates","237362","2020-10-21","18:00:00",""
"1554575","15.0627","0.0008","13.3599","0.0007","27.1554","0.0019","90","","94.396","0.007","90","","5448.6","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H162 Br F3 O12 -","- C116 H162 Br F3 O12 -","- C232 H324 Br2 F6 O24 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Chiral discrimination of 2-heptlyaminium salt by planar-chiral monohydroxy-functionalized pillar[5]arenes","Organic Chemistry Frontiers","2019","6","5","603","","10.1039/C8QO01343H","","","0.71075","MoKα","","0.1679","0.1101","","","0.2937","0.338","","","","","","1.112","","","","has coordinates","237362","2020-10-21","18:00:00",""
"1554577","5.799","0.003","7.486","0.004","10.479","0.006","90","","104.17","0.04","90","","441.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H9 F3 N2 -","- C9 H9 F3 N2 -","- C18 H18 F6 N4 -","2","1","","Chen, Mu-Wang; Deng, Zhihong; Yang, Qin; Huang, Jian; Peng, Yiyuan","Enantioselective synthesis of trifluoromethylated dihydroquinoxalinones via palladium-catalyzed hydrogenation","Organic Chemistry Frontiers","2019","6","6","746","","10.1039/C8QO01361F","","","1.54178","CuKα","","0.2357","0.0964","","","0.2635","0.3757","","","","","","1.398","","","","has coordinates","237366","2020-10-21","18:00:00",""
"1554584","9.2282","0.0014","9.1743","0.0014","12.829","0.002","90","","109.724","0.003","90","","1022.4","0.3","120.15","","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C44 H40 Br2 N6 O8 -","2","1","","Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai","Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence","Organic Chemistry Frontiers","2019","6","7","919","","10.1039/C8QO01406J","","","0.71073","MoKα","","0.0514","0.0326","","","0.066","0.073","","","","","","0.839","","","","has coordinates,has disorder","237377","2020-10-21","18:00:00",""
"1554585","9.6264","0.0013","10.858","0.0014","11.2163","0.0014","90","","113.736","0.002","90","","1073.2","0.2","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C42 H48 N4 O14 -","2","1","","Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai","Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence","Organic Chemistry Frontiers","2019","6","7","919","","10.1039/C8QO01406J","","","0.71073","MoKα","","0.0865","0.0496","","","0.0988","0.1161","","","","","","1.057","","","","has coordinates,has disorder","237377","2020-10-21","18:00:00",""
"1554592","7.1336","0.0012","7.3556","0.0013","13.246","0.002","90","","102.455","0.004","90","","678.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Agnestin B","","","- C15 H14 O7 -","- C15 H14 O7 -","- C30 H28 O14 -","2","1","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0493","0.0491","","","0.1336","0.1338","","","","","","1.094","","","","has coordinates","237405","2020-10-21","18:00:00",""
"1554664","5.0052","0.0002","15.6076","0.0004","14.6006","0.0004","90","","91.275","0.003","90","","1140.3","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H14 N4 O2 -","- C29 H14 N4 O2 -","- C58 H28 N8 O4 -","2","1","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0355","0.0332","","","0.0893","0.0919","","","","","","1.03","","","","has coordinates,has disorder","238033","2020-10-21","18:00:00",""
"1554668","7.9714","0.0004","22.5703","0.0008","9.1047","0.0004","90","","115.426","0.007","90","","1479.42","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H22 Cl2 N4 O2 -","- C33 H22 Cl2 N4 O2 -","- C66 H44 Cl4 N8 O4 -","2","1","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0588","0.0561","","","0.1657","0.17","","","","","","1.061","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554736","9.846","0.0004","12.0451","0.0005","14.2648","0.0006","90","","110.181","0.001","90","","1587.89","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H19.5 N1.5 Ni0.5 O2 -","- C18.5 H19.5 N1.5 Ni0.5 O2 -","- C74 H78 N6 Ni2 O8 -","4","2","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.045","0.0372","","","0.0864","0.0899","","","","","","1.005","","","","has coordinates,has disorder","238086","2020-10-21","18:00:00",""
"1554743","7.272","0.0015","12.369","0.003","12.296","0.003","90","","105.99","0.03","90","","1063.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.1439","0.0602","","","0.0651","0.0808","","","","","","0.954","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554745","7.323","0.0015","12.384","0.003","12.233","0.002","90","","106.42","0.03","90","","1064.1","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O5 -","- C24 H34 O5 -","- C48 H68 O10 -","2","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.0928","0.059","","","0.1519","0.1751","","","","","","1.027","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554767","7.081","0.0004","19.406","0.0012","9.491","0.0006","90","","98.161","0.002","90","","1290.99","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Cl N O3 -","- C31 H24 Cl N O3 -","- C62 H48 Cl2 N2 O6 -","2","1","","Jayakumar, Samydurai; Kumarswamyreddy, Nandarapu; Prakash, Muthuraj; Kesavan, Venkitasamy","Palladium catalyzed asymmetric allylation of 3-OBoc-oxindoles: an efficient synthesis of 3-allyl-3-hydroxyoxindoles.","Organic letters","2015","17","5","1066","1069","10.1021/acs.orglett.5b00034","","","0.71073","MoKα","","0.0981","0.0425","","","0.1003","0.1228","","","","","","0.977","","","","has coordinates","238109","2020-10-21","18:00:00",""
"1554799","9.8327","0.0003","16.984","0.0006","16.2007","0.0005","90","","101.138","0.001","90","","2654.54","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","2","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A‒C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0628","0.0615","","","0.1752","0.1773","","","","","","1.031","","","","has coordinates,has disorder","238126","2020-10-21","18:00:00",""
"1554801","9.6691","0.0001","16.4235","0.0001","15.94","0.0001","90","","101.09","","90","","2484.01","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","2","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A‒C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0395","0.0391","","","0.1027","0.103","","","","","","1.035","","","","has coordinates","238126","2020-10-21","18:00:00",""
"1554803","12.674","0.002","9.2986","0.0014","12.919","0.002","90","","113.497","0.006","90","","1396.3","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H33 B2 Fe O2 P -","- C28 H33 B2 Fe O2 P -","- C56 H66 B4 Fe2 O4 P2 -","2","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα","","0.0613","0.0394","","","0.1001","0.1114","","","","","","1.019","","","","has coordinates,has disorder","238127","2020-10-21","18:00:00",""
"1554808","6.7344","0.0004","18.9552","0.0012","15.1244","0.0008","90","","90.856","0.004","90","","1930.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","6a in manuscript","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","2","","Lustosa, Danilo M.; Cieslik, Patrick; Hartmann, Deborah; Bruckhoff, Tim; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Direct access to benzo[b]fluorenes via a gold-catalysed A3-coupling strategy","Organic Chemistry Frontiers","2019","6","10","1655","","10.1039/C9QO00260J","","","1.54178","CuKα","","0.1004","0.0799","","","0.2324","0.2432","","","","","","1.578","","","","has coordinates","238130","2020-10-21","18:00:00",""
"1554812","11.7466","0.0001","12.2636","0.0002","22.7319","0.0002","90","","93.091","0.001","90","","3269.89","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 F N3 O7 -","- C36 H32 F N3 O7 -","- C144 H128 F4 N12 O28 -","4","2","","Liu, Xiong-Li; Zuo, Xiong; Wang, Jun-Xin; Chang, Shun-qin; Wei, Qi-Di; Zhou, Ying","A bifunctional pyrazolone‒chromone synthon directed organocatalytic double Michael cascade reaction: forging five stereocenters in structurally diverse hexahydroxanthones","Organic Chemistry Frontiers","2019","6","9","1485","","10.1039/C9QO00265K","","x-ray","1.54184","CuKα","","0.0353","0.0345","","","0.0958","0.0964","","","","","","1.035","","","","has coordinates","238133","2020-10-21","18:00:00",""
"1554816","6.2353","0.0004","7.7873","0.0004","17.3098","0.001","90","","90.759","0.003","90","","840.42","0.08","170","2","169.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br F3 O2 -","- C17 H16 Br F3 O2 -","- C34 H32 Br2 F6 O4 -","2","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0375","0.0343","","","0.0841","0.0874","","","","","","1.064","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554817","10.6202","0.0004","6.377","0.0002","16.3385","0.0006","90","","98.252","0.001","90","","1095.07","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O7 S -","- C23 H21 N O7 S -","- C46 H42 N2 O14 S2 -","2","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","0.71073","MoKα","","0.054","0.0385","","","0.0991","0.1128","","","","","","1.041","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554839","6.9078","0.0004","10.3981","0.0006","10.0732","0.0006","90","","95.471","0.0017","90","","720.24","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C34 H32 O4 Se2 -","2","1","","Niu, Wenxue; Yeung, Ying-Yeung","Catalytic and highly enantioselective selenolactonization.","Organic letters","2015","17","7","1660","1663","10.1021/acs.orglett.5b00377","","","0.71073","MoKα","","0.0141","0.0139","","","0.0372","0.0373","","","","","","1.07","","","","has coordinates","238147","2020-10-21","18:00:00",""
"1554867","9.8067","0.0014","9.9678","0.0014","11.8916","0.0017","90","","104.237","0.007","90","","1126.7","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N O4 S -","- C23 H26 Br N O4 S -","- C46 H52 Br2 N2 O8 S2 -","2","1","","Serpier, Fabien; Flamme, Benjamin; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain","Chiral pyrrolidines and piperidines from enantioselective rhodium-catalyzed cascade arylative cyclization.","Organic letters","2015","17","7","1720","1723","10.1021/acs.orglett.5b00493","","","0.71073","MoKα","","0.0256","0.0234","","","0.0609","0.062","","","","","","1.019","","","","has coordinates","238163","2020-10-21","18:00:00",""
"1554872","7.807","0.0003","15.9924","0.0005","10.5193","0.0004","90","","109.003","0.004","90","","1241.79","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N3 O4 -","- C28 H29 N3 O4 -","- C56 H58 N6 O8 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Xiao-Jian; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","A AgOAc/quinine-derived aminophosphine complex as an efficient catalyst for diastereo- and enantioselective 1,3-dipolar cycloaddition of α,β-unsaturated 7-azaindoline amides and azomethine ylides","Organic Chemistry Frontiers","2019","6","11","1879","","10.1039/C9QO00347A","","x-ray","1.54184","CuKα","","0.0442","0.0395","","","0.1007","0.106","","","","","","1.042","","","","has coordinates","238168","2020-10-21","18:00:00",""
"1554878","8.527","0.0004","16.7982","0.0007","9.3056","0.0004","90","","102.717","0.003","90","","1300.22","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","JSGP952CRIS","((1S,5S,6Z,8Z)-cyclonona-6,8-diene-1,5-diyl)bis(methylene) bis(((S)-1-phenylethyl)carbamate)","","- C29 H36 N2 O4 -","- C29 H36 N2 O4 -","- C58 H72 N4 O8 -","2","1","","Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier","A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.","Organic letters","2015","17","9","2054","2057","10.1021/acs.orglett.5b00552","","x-ray","0.71073","MoKα","","0.0594","0.042","","","0.0901","0.0972","","","","","","1.061","","","","has coordinates","238174","2020-10-21","18:00:00",""
"1554887","4.8035","0.0006","8.2644","0.001","18.363","0.002","90","","94.441","0.003","90","","726.79","0.15","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","ca180213","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C26 H30 Br2 Cl2 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0354","0.0267","","","0.0424","0.044","","","","","","0.948","","","","has coordinates","238180","2020-10-21","18:00:00",""
"1554889","10.1323","0.0006","7.4394","0.0005","15.4852","0.001","90","","100.787","0.002","90","","1146.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3.43 H4.71 N0.14 O0.43 Se0.14 -","- C3.42857 H4.71429 N0.142857 O0.428571 Se0.142857 -","- C48 H66 N2 O6 Se2 -","14","7","","Xiao, Jun-An; Li, Yu-Chun; Cheng, Xiu-Liang; Chen, Wen-Qiang; Cui, Jian-Guo; Huang, Yan-Min; Huang, Jun; Xiao, Qi; Su, Wei; Yang, Hua","Selenocyanobenziodoxolone: a practical electrophilic selenocyanation reagent and its application for solid-state synthesis of α-carbonyl selenocyanates","Organic Chemistry Frontiers","2019","6","12","1967","","10.1039/C9QO00358D","","","0.71073","MoKα","","0.0547","0.0362","","","0.0786","0.0849","","","","","","1.023","","","","has coordinates","238181","2020-10-21","18:00:00",""
"1554890","10.669","0.003","4.7706","0.0014","15.964","0.005","90","","107.952","0.004","90","","773","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(2R,4R,5R)-2,5-dichlorohexane-1,3-diyl bis((4-bromophenyl)carbamate)","","- C13 H16 Br Cl2 N O3 -","- C13 H16 Br Cl2 N O3 -","- C26 H32 Br2 Cl4 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.0266","0.0214","","","0.039","0.0399","","","","","","0.899","","","","has coordinates","238182","2020-10-21","18:00:00",""
"1554892","10.3231","0.0013","8.3376","0.001","10.651","0.0013","90","","116.926","0.002","90","","817.35","0.17","100.15","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.0432","0.0357","","","0.0852","0.0905","","","","","","1.048","","","","has coordinates","238183","2020-10-21","18:00:00",""
"1554894","4.9886","0.0007","19.578","0.003","9.0155","0.0013","90","","92.03","0.003","90","","880","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R)-2,5-dichlorohexane-1,3-diol","","- C6 H12 Cl2 O2 -","- C6 H12 Cl2 O2 -","- C24 H48 Cl8 O8 -","4","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0203","0.019","","","0.0479","0.0484","","","","","","1.071","","","","has coordinates","238184","2020-10-21","18:00:00",""
"1554896","12.2792","0.0011","4.9357","0.0003","13.4763","0.0012","90","","115.38","0.002","90","","737.92","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","((2S,3S)-3-((R)-1-chloropropyl)oxiran-2-yl)methyl (4-bromophenyl)carbamate","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C26 H30 Br2 Cl2 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0486","","","0.0994","0.1074","","","","","","1.062","","","","has coordinates","238186","2020-10-21","18:00:00",""
"1554897","7.9218","0.0011","6.5193","0.0008","13.434","0.0016","90","","101.58","0.004","90","","679.67","0.15","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 8-azaspiro[bicyclo[3.2.1]octane-(exo)-3,2?-oxirane]-8-carboxylate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Mandzhulo, Aleksandr; Vashchenko, Iryna; Gerasov, Andrii; Vovk, Mykhaylo; Rusanov, Eduard; Fetyukhin, Volodymyr; Lukin, Oleg; Shivanyuk, Alexander","Selective synthesis of N-protected exo-spiro[oxirane-3,2′-tropanes]","Organic Chemistry Frontiers","2019","6","10","1692","","10.1039/C9QO00377K","","","0.71073","MoKα","","0.0391","0.0337","","","0.0751","0.0772","","","","","","1.047","","","","has coordinates","238187","2020-10-21","18:00:00",""
"1554903","6.5666","0.0003","16.4713","0.0006","8.0376","0.0004","90","","111.405","0.005","90","","809.39","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Wang, Bo; Wang, Yuankai; Wang, Zixuan; Wang, Jianbo","Rh(i)-Catalyzed intramolecular [2 + 2 + 1] cycloaddition of diynes with the N-terminal of the diazo group","Organic Chemistry Frontiers","2019","6","14","2329","","10.1039/C9QO00403C","","","0.71073","MoKα","","0.0377","0.0347","","","0.0855","0.088","","","","","","1.057","","","","has coordinates","238194","2020-10-21","18:00:00",""
"1554926","7.5248","0.0006","11.7969","0.0011","18.7512","0.0017","90","","98.035","0.002","90","","1648.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","2","","Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Dhanasekaran, Sivasankaran; Singh, Vinod K.","An Efficient Entry to syn- and anti-Selective Isoindolinones via an Organocatalytic Direct Mannich/Lactamization Sequence.","Organic letters","2015","17","9","2102","2105","10.1021/acs.orglett.5b00676","","","0.71073","MoKα","","0.0694","0.0382","","","0.0763","0.0858","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1554932","11.7646","0.0004","15.4251","0.0003","12.0356","0.0004","90","","118.452","0.004","90","","1920.3","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl F3 N O S -","- C18 H19 Cl F3 N O S -","- C72 H76 Cl4 F12 N4 O4 S4 -","4","2","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","0.71073","MoKα","","0.0356","0.0325","","","0.0677","0.0705","","","","","","1.039","","","","has coordinates","238218","2020-10-21","18:00:00",""
"1554934","5.84461","0.00004","11.3132","0.00006","13.829","0.00008","90","","95.4227","0.0006","90","","910.298","0.01","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Fe N O2 S -","- C19 H23 Fe N O2 S -","- C38 H46 Fe2 N2 O4 S2 -","2","1","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","1.54184","CuKα","","0.0205","0.0199","","","0.0497","0.0499","","","","","","1.046","","","","has coordinates","238220","2020-10-21","18:00:00",""
"1554937","10.8299","0.0004","17.8426","0.0007","16.7462","0.0006","90","","105.418","0.004","90","","3119.5","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H116 N8 O21 S4 -","- C133 H112 N8 O21 S4 -","- C133 H112 N8 O21 S4 -","1","0.5","","Xie, Danbo; Yang, Limin; Lin, Youqiang; Zhang, Zhiming; Chen, Dongdong; Zeng, Xiaofei; Zhong, Guofu","Rapid access to spirocylic oxindoles: application of asymmetric N-heterocyclic carbene-catalyzed [3 + 3] cycloaddition of imines to oxindole-derived enals.","Organic letters","2015","17","10","2318","2321","10.1021/acs.orglett.5b00726","","","0.71073","MoKα","","0.0898","0.071","","","0.1937","0.2096","","","","","","1.057","","","","has coordinates","238223","2020-10-21","18:00:00",""
"1554958","10.0757","0.0011","10.4448","0.0009","10.8094","0.0012","90","","92.786","0.003","90","","1136.2","0.2","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Lin, Wei; Lin, Xiao; Cheng, Yuyu; Chang, Xiaoyong; Zhou, San; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes","Organic Chemistry Frontiers","2019","6","14","2452","","10.1039/C9QO00597H","","x-ray","0.71073","MoKα","","0.0293","0.028","","","0.0705","0.0714","","","","","","1.031","","","","has coordinates","238238","2020-10-21","18:00:00",""
"1554966","10.888","0.003","8.651","0.002","10.91","0.003","90","","97.5","0.005","90","","1018.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H26 Br N O2 S -","- C21 H26 Br N O2 S -","- C42 H52 Br2 N2 O4 S2 -","2","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0658","0.0461","","","0.1074","0.1167","","","","","","1.029","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1555008","7.90952","0.00011","16.3522","0.0003","9.53794","0.00013","90","","95.6737","0.0013","90","","1227.58","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 F2 N O2 -","- C28 H31 F2 N O2 -","- C56 H62 F4 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0282","0.028","","0.0721","0.0718","0.0721","","","","","","1.011","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555034","15.0789","0.0011","8.6357","0.0007","18.2167","0.0014","90","","106.122","0.001","90","","2278.8","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H27 Fe N O3 S -","- C25 H27 Fe N O3 S -","- C100 H108 Fe4 N4 O12 S4 -","4","2","","Ogasawara, Masamichi; Wada, Shiro; Isshiki, Erika; Kamimura, Takumi; Yanagisawa, Akira; Takahashi, Tamotsu; Yoshida, Kazuhiro","Enantioselective synthesis of planar-chiral ferrocene-fused 4-pyridones and their application in construction of pyridine-based organocatalyst library.","Organic letters","2015","17","9","2286","2289","10.1021/acs.orglett.5b01044","","","0.71073","MoKα","","0.0452","0.0349","","","0.0656","0.0736","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555060","6.9082","0.0001","11.2913","0.0002","19.3834","0.0003","90","","91.357","0.001","90","","1511.53","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","2","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","1.54178","CuKα","","0.0501","0.0455","","","0.1313","0.1377","","","","","","1.049","","","","has coordinates","238300","2020-10-21","18:00:00",""
"1555109","5.3883","0.0011","12.812","0.002","6.0438","0.0013","90","","114.32","0.03","90","","380.21","0.16","291","2","291","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","","(1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.7107","MoKα","","0.0459","0.043","","","0.1133","0.1164","","","","","","1.051","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555125","13.3229","0.0003","6.2024","0.0001","15.4655","0.0004","90","","115.145","0.003","90","","1156.87","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 Br Cl3 N2 O4 -","- C22 H18 Br Cl3 N2 O4 -","- C44 H36 Br2 Cl6 N4 O8 -","2","1","","Zhao, Mei-Xin; Liu, Qiang; Yu, Kun-Ming; Zhao, Xiao-Li; Shi, Min","Organocatalyzed asymmetric formal [3 + 2] cycloaddition of isocyanoacetates with N-itaconimides: facile access to optically active spiropyrroline succinimide derivatives","Organic Chemistry Frontiers","2019","6","23","3879","","10.1039/C9QO00939F","","x-ray","1.54184","CuKα","","0.0443","0.0424","","","0.1096","0.1112","","","","","","1.093","","","","has coordinates","238336","2020-10-21","18:00:00",""
"1555128","9.24","0.005","6.262","0.003","14.504","0.008","90","","91.561","0.009","90","","838.9","0.8","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H17 Br Cl N O4 S -","- C14 H17 Br Cl N O4 S -","- C28 H34 Br2 Cl2 N2 O8 S2 -","2","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0285","0.0276","","","0.0644","0.0647","","","","","","1.105","","","","has coordinates","238339","2020-10-21","18:00:00",""
"1555130","14.656","0.003","10.051","0.002","14.998","0.003","90","","104.87","0.03","90","","2135.3","0.8","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O4 S -","- C20 H24 Br N O4 S -","- C80 H96 Br4 N4 O16 S4 -","4","2","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0703","0.0597","","","0.127","0.1338","","","","","","1.132","","","","has coordinates","238341","2020-10-21","18:00:00",""
"1555133","6.4495","0.0013","15.276","0.003","8.0516","0.0016","90","","96.47","0.03","90","","788.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C28 H36 Br2 N2 O8 S2 -","2","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0253","0.0246","","","0.0605","0.061","","","","","","1.057","","","","has coordinates","238343","2020-10-21","18:00:00",""
"1555159","10.0737","0.0005","6.1334","0.00019","13.8766","0.0006","90","","107.776","0.005","90","","816.45","0.06","109.2","0.5","109.2","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Sun, Zhaocui; Zhu, Nailiang; Zhou, Man; Huo, Xiaowei; Wu, Haifeng; Tian, Yu; Yang, Junshan; Ma, Guoxu; Yang, Yan-Long; Xu, Xudong","Clavipines A‒C, antiproliferative meroterpenoids with a fused azepine skeleton from the basidiomycete Clitocybe clavipes","Organic Chemistry Frontiers","2019","6","22","3759","","10.1039/C9QO01005J","","x-ray","1.54184","CuKα","","0.0376","0.037","","","0.0938","0.0945","","","","","","1.047","","","","has coordinates","238356","2020-10-21","18:00:00",""
"1555166","9.5954","0.0004","12.6894","0.0004","11.2412","0.0004","90","","112.927","0.004","90","","1260.6","0.09","100","0.3","100","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl N3 O4 S -","- C28 H24 Cl N3 O4 S -","- C56 H48 Cl2 N6 O8 S2 -","2","1","","Zhang, Haoran; Li, Shiwu; Kang, Qiang; Du, Yu","Chiral-at-metal rhodium(iii) complex catalyzed enantioselective synthesis of C2-substituted benzofuran derivatives","Organic Chemistry Frontiers","2019","6","21","3683","","10.1039/C9QO01022J","","","1.54184","CuKα","","0.0477","0.0402","","","0.089","0.0936","","","","","","1.031","","","","has coordinates","238362","2020-10-21","18:00:00",""
"1555182","11.6007","0.0008","5.7368","0.0005","15.0074","0.001","90","","101.62","0.007","90","","978.29","0.13","293.8","0.4","293.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 O5 -","- C25 H18 O5 -","- C50 H36 O10 -","2","1","","Zhang, Song; Yu, Xiaojun; Pan, Jianke; Jiang, Chunhui; Zhang, Hongsu; Wang, Tianli","Asymmetric synthesis of spiro-structural 2,3-dihydrobenzofurans via the bifunctional phosphonium salt-promoted [4 + 1] cyclization of ortho-quinone methides with α-bromoketones","Organic Chemistry Frontiers","2019","6","22","3799","","10.1039/C9QO01096C","","x-ray","1.54184","CuKα","","0.0635","0.0579","","","0.1605","0.1702","","","","","","1.039","","","","has coordinates","238373","2020-10-21","18:00:00",""
"1555188","10.133","0.003","9.753","0.003","19.638","0.005","90","","100.289","0.004","90","","1909.6","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","2","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.126","0.0596","","","0.0957","0.12","","","","","","1","","","","has coordinates","238377","2020-10-21","18:00:00",""
"1555189","11.1372","0.0011","8.2426","0.0008","12.2345","0.0012","90","","110.187","0.001","90","","1054.13","0.18","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C50 H46 N2 O6 S2 -","2","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0434","0.0336","","","0.0807","0.086","","","","","","1.048","","","","has coordinates","238378","2020-10-21","18:00:00",""
"1555191","8.784","0.003","9.976","0.003","12.349","0.004","90","","90.656","0.005","90","","1082.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C50 H46 N2 O6 S2 -","2","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0609","0.0472","","","0.1244","0.1376","","","","","","1.033","","","","has coordinates","238378","2020-10-21","18:00:00",""
"1555218","9.07268","0.00016","11.9732","0.0002","13.4535","0.0003","90","","106.945","0.0007","90","","1397.99","0.05","165","","165","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H23 Cl3 N2 O2 -","- C33 H23 Cl3 N2 O2 -","- C66 H46 Cl6 N4 O4 -","2","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","1.54187","CuKα","","0.0303","0.0271","","","0.0631","0.0669","","","","","","1.066","","","","has coordinates","238398","2020-10-21","18:00:00",""
"1555231","6.5502","0.0013","13.639","0.003","9.1291","0.0018","90","","91.21","0.03","90","","815.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C32 H52 O12 -","2","1","","Hwang, In Hyun; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.","Pestaloporonins: Caryophyllene-Derived Sesquiterpenoids from a Fungicolous Isolate of Pestalotiopsis sp.","Organic letters","2015","17","17","4284","4287","10.1021/acs.orglett.5b02080","","","1.2399","synchrotron","","0.0529","0.0499","","","0.1342","0.1375","","","","","","1.051","","","","has coordinates","238411","2020-10-21","18:00:00",""
"1555232","9.5181","0.0002","11.3448","0.0002","18.2344","0.0004","90","","105.143","0.002","90","","1900.6","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Br Cl N O2 -","- C19 H21 Br Cl N O2 -","- C76 H84 Br4 Cl4 N4 O8 -","4","2","","Monasterolo, Claudio; Müller-Bunz, Helge; Gilheany, Declan G.","Very short highly enantioselective Grignard synthesis of 2,2-disubstituted tetrahydrofurans and tetrahydropyrans.","Chemical science","2019","10","26","6531","6538","10.1039/c9sc00978g","","","1.54184","CuKα","","0.0389","0.0377","","","0.0965","0.0983","","","","","","1.016","","","","has coordinates","238412","2020-10-21","18:00:00",""
"1555233","6.395","0.0007","46.881","0.006","8.2621","0.001","90","","111.164","0.005","90","","2309.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","2","","Clark, J. Stephen; Romiti, Filippo; Sieng, Bora; Paterson, Laura C.; Stewart, Alister; Chaudhury, Subhabrata; Thomas, Lynne H.","Synthesis of the A-D Ring System of the Gambieric Acids.","Organic letters","2015","17","19","4694","4697","10.1021/acs.orglett.5b02093","","","0.71073","MoKα","","0.0857","0.0779","","","0.2029","0.2101","","","","","","1.094","","","","has coordinates","238413","2020-10-21","18:00:00",""
"1555278","9.319","0.004","23.446","0.01","11.396","0.005","90","","108.442","0.007","90","","2362.1","1.8","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt","Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt","","- C39 H70 N8 O15 -","- C39 H70 N8 O15 -","- C78 H140 N16 O30 -","2","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.0531","0.041","","","0.0938","0.1012","","","","","","1.001","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555279","11.813","0.003","9.272","0.002","19.747","0.004","90","","104.524","0.005","90","","2093.8","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-UgFNMUgFNHMe","Boc-UgFNMUgFNHMe","","- C37 H54 N6 O8 -","- C37 H54 N6 O8 -","- C74 H108 N12 O16 -","2","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.0877","0.0559","","","0.1314","0.1528","","","","","","0.758","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555283","9.874","0.001","10.305","0.002","18.765","0.003","90","","99.09","0.01","90","","1885.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O7 -","- C18 H28 O7 -","- C72 H112 O28 -","4","2","","Chaudhary, Sandeep; Sharma, Vashundhra; Jaiswal, Pradeep K.; Gaikwad, Anil N.; Sinha, Sudhir K.; Puri, Sunil K.; Sharon, Ashoke; Maulik, Prakas R.; Chaturvedi, Vinita","Stable Tricyclic Antitubercular Ozonides Derived from Artemisinin.","Organic letters","2015","17","20","4948","4951","10.1021/acs.orglett.5b02296","","","0.71073","MoKα","","0.1535","0.0731","","","0.1768","0.2449","","","","","","1.047","","","","has coordinates","238435","2020-10-21","18:00:00",""
"1555298","10.512","0.005","12.577","0.006","16.003","0.006","90","","108.396","0.005","90","","2007.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H53 N3 O P2 Ru -","- C45 H53 N3 O P2 Ru -","- C90 H106 N6 O2 P4 Ru2 -","2","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","1.5418","CuKα","","0.0715","0.0586","","","0.1488","0.1681","","","","","","1.043","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555313","10.027","0.002","5.4598","0.0013","16.953","0.004","90","","106.348","0.004","90","","890.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H17 Cl -","- C25 H17 Cl -","- C50 H34 Cl2 -","2","1","","Mendis, Shehani N.; Tunge, Jon A.","Palladium-Catalyzed Stereospecific Decarboxylative Benzylation of Alkynes.","Organic letters","2015","17","21","5164","5167","10.1021/acs.orglett.5b02410","","","1.54178","CuKα","","0.0255","0.0255","","","0.0661","0.0661","","","","","","1.065","","","","has coordinates","238462","2020-10-21","18:00:00",""
"1555315","12.1722","0.0005","5.9237","0.0002","12.6791","0.0006","90","","115.892","0.0015","90","","822.45","0.06","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0308","","","","0.0618","","","","","","1.036","","","","has coordinates","238466","2020-10-21","18:00:00",""
"1555319","12.2262","0.0004","6.03311","0.00018","12.5465","0.0005","90","","115.216","0.001","90","","837.26","0.05","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 As -","- C22 H17 As -","- C44 H34 As2 -","2","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0246","","","","0.0409","","","","","","1.205","","","","has coordinates","238472","2020-10-21","18:00:00",""
"1555323","6.5669","0.0008","20.611","0.002","7.3177","0.0009","90","","92.8","0.003","90","","989.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl N3 O6 -","- C20 H16 Cl N3 O6 -","- C40 H32 Cl2 N6 O12 -","2","1","","He, Fu-Sheng; Zhu, Han; Wang, Zheng; Gao, Ming; Yu, Xingxin; Deng, Wei-Ping","Asymmetric Construction of 3,4-Diamino Pyrrolidines via Chiral N,O-Ligand/Cu(I) Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Phthalimidonitroethene.","Organic letters","2015","17","20","4988","4991","10.1021/acs.orglett.5b02431","","","0.71073","MoKα","","0.0432","0.036","","","0.0867","0.0908","","","","","","1.022","","","","has coordinates","238480","2020-10-21","18:00:00",""
"1555335","13.6455","0.0003","18.1359","0.0005","24.9551","0.0006","90","","104.465","0.0011","90","","5979.9","0.3","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H46 F12 N6 Ni O16 S4 -","- C51 H46 F11.735 N6 Ni O15.735 S4 -","- C204 H184 F46.94 N24 Ni4 O62.94 S16 -","4","2","","Takeda, Takuya; Harada, Shinji; Nishida, Atsushi","Catalytic Asymmetric Nazarov Cyclization of Heteroaryl Vinyl Ketones through a Crystallographically Defined Chiral Dinuclear Nickel Complex.","Organic letters","2015","17","21","5184","5187","10.1021/acs.orglett.5b02497","","","1.54187","CuKα","","0.3164","0.1394","","","0.328","0.454","","","","","","0.961","","","","has coordinates,has disorder","238504","2020-10-21","18:00:00",""
"1555337","8.3018","0.0001","14.7835","0.0002","12.3636","0.0002","90","","101.126","0.001","90","","1488.86","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","2","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0326","0.0322","","","0.0895","0.09","","","","","","1.067","","","","has coordinates","238508","2020-10-21","18:00:00",""
"1555345","5.8171","0.0005","7.1215","0.0007","16.2736","0.0015","90","","94.53","0.005","90","","672.05","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0607","0.0497","","","0.1277","0.1372","","","","","","1.061","","","","has coordinates","238522","2020-10-21","18:00:00",""
"1555346","6.1254","0.0003","6.9441","0.0004","10.8047","0.0006","90","","102.426","0.002","90","","448.82","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0458","0.045","","","0.1053","0.1061","","","","","","1.197","","","","has coordinates","238524","2020-10-21","18:00:00",""
"1555348","8.236","0.0004","6.3687","0.0003","10.9331","0.0005","90","","92.94","0.001","90","","572.71","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","0.71073","MoKα","","0.0447","0.0413","","","0.1097","0.1135","","","","","","1.051","","","","has coordinates","238527","2020-10-21","18:00:00",""
"1555349","7.32024","0.00009","8.9338","0.0001","17.2413","0.0002","90","","91.3123","0.0012","90","","1127.24","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H40 O8 -","- C24 H40 O8 -","- C48 H80 O16 -","2","1","","Wu, Ping; Xue, Jinghua; Yao, Lei; Xu, Liangxiong; Li, Hanxiang; Wei, Xiaoyi","Bisacremines E-G, Three Polycyclic Dimeric Acremines Produced by Acremonium persicinum SC0105.","Organic letters","2015","17","19","4922","4925","10.1021/acs.orglett.5b02536","","","1.54184","CuKα","","0.0314","0.0293","","","0.0706","0.0727","","","","","","1.073","","","","has coordinates","238529","2020-10-21","18:00:00",""
"1555359","12.3361","0.0004","6.0532","0.0002","13.2095","0.0004","90","","115.922","0.002","90","","887.15","0.05","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 F2 N O3 -","- C19 H23 F2 N O3 -","- C38 H46 F4 N2 O6 -","2","1","","Aikawa, Kohsuke; Yoshida, Seiya; Kondo, Daisuke; Asai, Yuya; Mikami, Koichi","Catalytic Asymmetric Synthesis of Tertiary Alcohols and Oxetenes Bearing a Difluoromethyl Group.","Organic letters","2015","17","20","5108","5111","10.1021/acs.orglett.5b02617","","","1.54178","CuKα","","0.0455","0.0362","","","0.0839","0.0876","","","","","","1.041","","","","has coordinates","238547","2020-10-21","18:00:00",""
"1555368","9.5014","0.001","17.2076","0.0019","9.9401","0.001","90","","90.682","0.002","90","","1625.1","0.3","90","2","90.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N2 O2.5 -","- C19 H21 N2 O2.5 -","- C76 H84 N8 O10 -","4","2","","Palazzo, Teresa A.; Patra, Digambara; Yang, Joung S.; El Khoury, Elsy; Appleton, Mackenzie G.; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies.","Organic letters","2015","17","23","5732","5735","10.1021/acs.orglett.5b02680","","","0.71073","MoKα","","0.0346","0.0335","","","0.0924","0.0935","","","","","","1.033","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555370","7.0727","0.0002","8.9761","0.0008","11.4306","0.0005","90","","96.806","0.004","90","","720.56","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C38 H32 O10 -","2","1","","Yang, Chunfang; Huang, Chunshuai; Zhang, Wenjun; Zhu, Yiguang; Zhang, Changsheng","Heterologous Expression of Fluostatin Gene Cluster Leads to a Bioactive Heterodimer.","Organic letters","2015","17","21","5324","5327","10.1021/acs.orglett.5b02683","","","1.54178","CuKα","","0.032","0.0303","","","0.0772","0.0791","","","","","","1.087","","","","has coordinates","238567","2020-10-21","18:00:00",""
"1555388","10.2983","0.0004","10.6899","0.0005","13.1072","0.0006","90","","94.794","0.003","90","","1437.89","0.11","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N4 O4 -","- C34 H34 N4 O4 -","- C68 H68 N8 O8 -","2","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.0576","0.0371","","","0.0778","0.0846","","","","","","1.03","","","","has coordinates,has disorder","238597","2020-10-21","18:00:00",""
"1555398","7.2207","0.0006","10.6225","0.0008","10.6751","0.0008","90","","101.193","0.004","90","","803.23","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","MW5-023","sarpong110","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0266","0.0261","","","0.0663","0.0668","","","","","","1.026","","","","has coordinates","238609","2020-10-21","18:00:00",""
"1555401","7.5354","0.0006","8.5029","0.0008","11.9989","0.0011","90","","90.259","0.006","90","","768.79","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","MW5-085","sarpong114","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0691","0.0585","","","0.1491","0.1567","","","","","","1.064","","","","has coordinates","238614","2020-10-21","18:00:00",""
"1555406","7.5529","0.0015","11.091","0.002","10.123","0.002","90","","104.11","0.03","90","","822.4","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O6 S -","- C17 H15 N O6 S -","- C34 H30 N2 O12 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0475","0.044","","","0.0883","0.0903","","","","","","1.123","","","","has coordinates","238624","2020-10-21","18:00:00",""
"1555408","11.974","0.002","5.7044","0.0011","15.451","0.003","90","","95.49","0.03","90","","1050.5","0.3","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br2 Cl2 N O5 S -","- C18 H15 Br2 Cl2 N O5 S -","- C36 H30 Br4 Cl4 N2 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.048","0.0465","","","0.1222","0.1248","","","","","","1.076","","","","has coordinates","238627","2020-10-21","18:00:00",""
"1555410","8.3457","0.0017","10.924","0.002","9.879","0.002","90","","109.46","0.03","90","","849.2","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 N4 O5 S -","- C17 H14 N4 O5 S -","- C34 H28 N8 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0382","0.0367","","","0.0907","0.0916","","","","","","1.074","","","","has coordinates","238631","2020-10-21","18:00:00",""
"1555411","8.091","0.006","6.973","0.005","15.224","0.011","90","","101.811","0.009","90","","840.7","1.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C34 H28 Br2 N2 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.049","0.0477","","","0.119","0.1206","","","","","","1.137","","","","has coordinates","238633","2020-10-21","18:00:00",""
"1555417","7.187","0.0004","8.7702","0.0004","11.015","0.0006","90","","98.176","0.005","90","","687.23","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0288","0.0279","","","0.0697","0.0702","","","","","","1.046","","","","has coordinates","238640","2020-10-21","18:00:00",""
"1555431","12.275","0.003","11.187","0.002","13.371","0.003","90","","104.835","0.004","90","","1774.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N2 O5 -","- C20 H15 Cl N2 O5 -","- C80 H60 Cl4 N8 O20 -","4","2","","Gao, Hang; Luo, Zhenli; Ge, Pingjin; He, Junqian; Zhou, Feng; Zheng, Peipei; Jiang, Jun","Direct Catalytic Asymmetric Synthesis of β-Hydroxy Acids from Malonic Acid.","Organic letters","2015","17","24","5962","5965","10.1021/acs.orglett.5b02891","","","0.71073","MoKα","","0.0273","0.0259","","","0.0739","0.087","","","","","","1.015","","","","has coordinates","238662","2020-10-21","18:00:00",""
"1555432","13.5437","0.0009","13.0346","0.0008","16.0277","0.0011","90","","102.411","0.002","90","","2763.4","0.3","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25.5 H31 Cl1.5 N2 O5 P S -","- C25.5 H31 Cl1.5 N2 O5 P S -","- C102 H124 Cl6 N8 O20 P4 S4 -","4","2","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Aldol-Cyclization Cascade of 3-Isothiocyanato Oxindoles with α-Ketophosphonates for the Enantioselective Synthesis of β-Amino-α-hydroxyphosphonates.","Organic letters","2015","17","21","5508","5511","10.1021/acs.orglett.5b02929","","","0.71073","MoKα","","0.0479","0.0445","","","0.1138","0.117","","","","","","1.069","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555439","7.0716","0.0005","6.6011","0.0003","13.3983","0.001","90","","92.659","0.006","90","","624.76","0.07","292","","292","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","","Vita, Maria Victoria; Caramenti, Paola; Waser, Jerome","Enantioselective Synthesis of Homoallylic Azides and Nitriles via Palladium-Catalyzed Decarboxylative Allylation.","Organic letters","2015","17","23","5832","5835","10.1021/acs.orglett.5b03002","","","1.54186","CuKα","","0.0409","0.0354","","","0.0918","0.0955","","","","","","1.131","","","","has coordinates","238676","2020-10-21","18:00:00",""
"1555450","11.623","0.003","7.3026","0.0016","12.673","0.003","90","","95.271","0.003","90","","1071.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C48 H72 O8 -","2","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.0631","0.0462","","","0.1051","0.1163","","","","","","1.033","","","","has coordinates","238696","2020-10-21","18:00:00",""
"1555452","10.27","0.002","7.257","0.0016","14.424","0.003","90","","92.479","0.003","90","","1074","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C48 H72 O8 -","2","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.0485","0.0399","","","0.0969","0.1018","","","","","","1.054","","","","has coordinates","238700","2020-10-21","18:00:00",""
"1555474","8.5345","0.0004","8.8037","0.0004","11.0062","0.0007","90","","90.369","0.005","90","","826.94","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 N O3 S -","- C17 H22 N O3 S -","- C34 H44 N2 O6 S2 -","2","1","","Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.","Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.","Organic letters","2015","17","24","6226","6229","10.1021/acs.orglett.5b03209","","","0.71073","MoKα","","0.0703","0.0527","","","0.1269","0.1409","","","","","","1.025","","","","has coordinates","238749","2020-10-21","18:00:00",""
"1555475","6.1187","0.0002","15.5628","0.0007","7.4298","0.0003","90","","90.617","0.004","90","","707.46","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N3 O4 -","- C13 H18 N3 O4 -","- C26 H36 N6 O8 -","2","1","","Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.","Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.","Organic letters","2015","17","24","6226","6229","10.1021/acs.orglett.5b03209","","","0.71073","MoKα","","0.0365","0.0341","","","0.0887","0.0907","","","","","","1.068","","","","has coordinates","238751","2020-10-21","18:00:00",""
"1555476","6.642","0.0002","14.2879","0.0004","13.6807","0.0004","90","","91.605","0.002","90","","1297.79","0.07","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 O S2 Si -","- C10 H20 O S2 Si -","- C40 H80 O4 S8 Si4 -","4","2","","Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B","An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.","Organic letters","2015","17","24","6242","6245","10.1021/acs.orglett.5b03235","","","0.71073","MoKα","","0.0353","0.0307","","","0.0867","0.0999","","","","","","1.146","","","","has coordinates","238753","2020-10-21","18:00:00",""
"1555480","10.094","0.003","14.285","0.004","11.689","0.003","90","","90.952","0.004","90","","1685.2","0.8","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N -","- C21 H18 Br N -","- C84 H72 Br4 N4 -","4","2","","Zhang, Zhenhua; Du, Haifeng","Enantioselective Metal-Free Hydrogenations of Disubstituted Quinolines.","Organic letters","2015","17","24","6266","6269","10.1021/acs.orglett.5b03307","","","0.71073","MoKα","","0.0402","0.0362","","","0.0687","0.0708","","","","","","1.083","","","","has coordinates","238762","2020-10-21","18:00:00",""
"1555483","8.73","0.0001","13.8357","0.0002","9.1173","0.0001","90","","93.75","0.001","90","","1098.88","0.02","140","2","140.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Zhang, Hua; Zhu, Kong-Kai; Han, Ying-Shan; Luo, Cheng; Wainberg, Mark A.; Yue, Jian-Min","Flueggether A and Virosinine A, Anti-HIV Alkaloids from Flueggea virosa.","Organic letters","2015","17","24","6274","6277","10.1021/acs.orglett.5b03320","","","1.54178","CuKα","","0.0376","0.0372","","","0.098","0.0985","","","","","","1.045","","","","has coordinates,has disorder","238768","2020-10-21","18:00:00",""
"1555497","10.8203","0.0002","8.0501","0.0001","11.8593","0.0002","90","","90.3984","0.001","90","","1032.97","0.03","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl N O2 -","- C25 H22 Cl N O2 -","- C50 H44 Cl2 N2 O4 -","2","1","","Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.","Organic letters","2016","18","6","1358","1361","10.1021/acs.orglett.6b00291","","x-ray","0.71073","MoKα","","0.0528","0.0387","","","0.0846","0.0912","","","","","","1.028","","","","has coordinates","238797","2020-10-21","18:00:00",""
"1555506","10.2913","0.0007","7.9908","0.0004","13.7239","0.0009","90","","97.986","0.002","90","","1117.65","0.12","243","2","243","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O1.5 -","- C13 H18 O1.5 -","- C52 H72 O6 -","4","2","","Kakde, Badrinath N.; Kumar, Nivesh; Mondal, Pradip Kumar; Bisai, Alakesh","Approach to Merosesquiterpenes via Lewis Acid Catalyzed Nazarov-Type Cyclization: Total Synthesis of Akaol A.","Organic letters","2016","18","8","1752","1755","10.1021/acs.orglett.6b00446","","","0.71073","MoKα","","0.1011","0.0666","","","0.1499","0.1689","","","","","","1.02","","","","has coordinates","238815","2020-10-21","18:00:00",""
"1555507","10.3364","0.0004","8.2959","0.0003","12.9455","0.0006","90","","96.995","0.001","90","","1101.81","0.08","114","2","114","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O3 -","- C26 H38 O3 -","- C52 H76 O6 -","2","1","","Kakde, Badrinath N.; Kumar, Nivesh; Mondal, Pradip Kumar; Bisai, Alakesh","Approach to Merosesquiterpenes via Lewis Acid Catalyzed Nazarov-Type Cyclization: Total Synthesis of Akaol A.","Organic letters","2016","18","8","1752","1755","10.1021/acs.orglett.6b00446","","","0.71073","MoKα","","0.039","0.0368","","","0.0922","0.0938","","","","","","1.033","","","","has coordinates","238816","2020-10-21","18:00:00",""
"1555521","7.8577","0.0006","14.9042","0.0008","9.3787","0.0007","90","","113.529","0.009","90","","1007.05","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 F2 N4 O2 -","- C23 H16 F2 N4 O2 -","- C46 H32 F4 N8 O4 -","2","1","","Qiao, Jin-Bao; Zhao, Yu-Ming; Gu, Peiming","Asymmetric Intramolecular Desymmetrization of meso-α,α'-Diazido Alcohols with Aryldiazoacetates: Assembly of Chiral C3 Fragments with Three Continuous Stereocenters.","Organic letters","2016","18","9","1984","1987","10.1021/acs.orglett.6b00570","","x-ray","1.54184","CuKα","","0.0362","0.0319","","","0.0763","0.08","","","","","","1.046","","","","has coordinates","238842","2020-10-21","18:00:00",""
"1555524","6.4855","0.0007","7.5481","0.0006","13.9074","0.0011","90","","95.824","0.009","90","","677.3","0.11","180","0.1","180","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Zhou, Yujing; Ye, Fei; Zhou, Qi; Zhang, Yan; Wang, Jianbo","Cu(I)-Catalyzed Tandem Reaction of Carbene Coupling and Horner-Wadsworth-Emmons Type Olefination: Access toward Enynes.","Organic letters","2016","18","9","2024","2027","10.1021/acs.orglett.6b00631","","","0.71073","MoKα","","0.0645","0.0466","","","0.0963","0.1096","","","","","","1.13","","","","has coordinates","238848","2020-10-21","18:00:00",""
"1555529","11.5555","0.0011","6.7668","0.0006","12.9264","0.0014","90","","98.846","0.005","90","","998.74","0.17","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0312","0.0308","","","0.0754","0.0757","","","","","","1.056","","","","has coordinates","238854","2020-10-21","18:00:00",""
"1555534","9.7442","0.0009","6.1717","0.0005","14.9524","0.0013","90","","90.609","0.002","90","","899.16","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C40 H56 N4 O6 -","2","1","","Hsieh, Sheng-Ying; Bode, Jeffrey W.","Silicon Amine Reagents for the Photocatalytic Synthesis of Piperazines from Aldehydes and Ketones.","Organic letters","2016","18","9","2098","2101","10.1021/acs.orglett.6b00722","","x-ray","0.71073","MoKα","","0.0662","0.0448","","","0.0886","0.0969","","","","","","1.014","","","","has coordinates","238864","2020-10-21","18:00:00",""
"1555536","5.92604","0.00015","12.2676","0.0003","9.9444","0.0002","90","","103.755","0.002","90","","702.21","0.03","123","0.2","123","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O3 S -","- C15 H15 Br O3 S -","- C30 H30 Br2 O6 S2 -","2","1","","Pagire, Santosh K.; Paria, Suva; Reiser, Oliver","Synthesis of β-Hydroxysulfones from Sulfonyl Chlorides and Alkenes Utilizing Visible Light Photocatalytic Sequences.","Organic letters","2016","18","9","2106","2109","10.1021/acs.orglett.6b00734","","x-ray","1.54184","CuKα","","0.0421","0.0419","","","0.1079","0.1082","","","","","","1.032","","","","has coordinates","238867","2020-10-21","18:00:00",""
"1555544","8.6651","0.0006","5.8524","0.0003","18.9495","0.001","90","","93.712","0.005","90","","958.94","0.1","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C44 H40 Br2 N2 O4 -","2","1","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","0.71073","MoKα","","0.072","0.0589","","","0.1301","0.141","","","","","","1.091","","","","has coordinates","238880","2020-10-21","18:00:00",""
"1555551","8.94706","0.00018","11.2291","0.0003","14.9983","0.0003","90","","102.552","0.002","90","","1470.83","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Halskov, Kim Søholm; Næsborg, Line; Tur, Fernando; Jørgensen, Karl Anker","Asymmetric [3 + 2] Cycloaddition of Vinylcyclopropanes and α,β-Unsaturated Aldehydes by Synergistic Palladium and Organocatalysis.","Organic letters","2016","18","9","2220","2223","10.1021/acs.orglett.6b00852","","x-ray","0.71073","MoKα","","0.067","0.0514","","","0.1077","0.1176","","","","","","1.0567","","","","has coordinates","238887","2020-10-21","18:00:00",""
"1555570","11.311","0.002","5.661","0.0012","16.455","0.003","90","","108.595","0.005","90","","998.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C48 H38 Br2 N4 O4 -","2","1","","Winterton, Sarah E.; Ready, Joseph M.","[3 + 2]-Cycloadditions of Azomethine Imines and Ynolates.","Organic letters","2016","18","11","2608","2611","10.1021/acs.orglett.6b01104","","","0.71073","MoKα","","0.042","0.0357","","","0.077","0.08","","","","","","0.986","","","","has coordinates","238905","2020-10-21","18:00:00",""
"1555576","10.581","0.003","9.532","0.003","11.106","0.003","90","","90.577","0.003","90","","1120.1","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C54 H48 N4 O4 S2 -","2","1","","Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.","Organic letters","2016","18","11","2730","2733","10.1021/acs.orglett.6b01186","","","0.71073","MoKα","","0.0307","0.0302","","","0.0755","0.0759","","","","","","1.076","","","","has coordinates","238911","2020-10-21","18:00:00",""
"1555583","8.9792","0.0007","16.193","0.0013","13.2363","0.001","90","","106.625","0.001","90","","1844.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bcg2-15B","","","- C43 H47 N3 O5 -","- C43 H47 N3 O5 -","- C86 H94 N6 O10 -","2","1","","Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.","Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.","Organic letters","2016","18","11","2780","2783","10.1021/acs.orglett.6b01283","","","0.71073","MoKα","","0.0463","0.0405","","","0.0891","0.0939","","","","","","1.047","","","","has coordinates","238918","2020-10-21","18:00:00",""
"1555584","12.9668","0.0015","13.1573","0.0015","13.5181","0.0015","90","","109.297","0.001","90","","2176.7","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bcg1-109a","","","- C49 H55 N3 O6 -","- C49 H55 N3 O6 -","- C98 H110 N6 O12 -","2","1","","Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.","Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.","Organic letters","2016","18","11","2780","2783","10.1021/acs.orglett.6b01283","","","0.71073","MoKα","","0.052","0.0437","","","0.0981","0.104","","","","","","1.051","","","","has coordinates","238919","2020-10-21","18:00:00",""
"1555591","13.3931","0.0004","9.5262","0.0003","17.8614","0.0005","90","","101.589","0.002","90","","2232.4","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H52 Cl2 O12 P2 -","- C45 H52 Cl2 O12 P2 -","- C90 H104 Cl4 O24 P4 -","2","1","","Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien","A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.","Organic letters","2016","18","13","3162","3165","10.1021/acs.orglett.6b01374","","x-ray","1.54178","CuKα","","0.0386","0.0356","","","0.092","0.094","","","","","","1.045","","","","has coordinates","238923","2020-10-21","18:00:00",""
"1555594","10.7656","0.0001","8.6732","0.0001","11.0548","0.0001","90","","95.097","0.001","90","","1028.13","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3m","(S)-2-phenyl-2-(trityloxy)acetonitrile","","- C27 H21 N O -","- C27 H21 N O -","- C54 H42 N2 O2 -","2","1","","Cioc, Răzvan C; Schuckman, Peter; Preschel, Hans D.; Vlaar, Tjøstil; Ruijter, Eelco; Orru, Romano V. A.","Brønsted Acid-Catalyzed Cyanotritylation of Aldehydes by Trityl Isocyanide.","Organic letters","2016","18","15","3562","3565","10.1021/acs.orglett.6b01481","","x-ray","1.54184","CuKα","","0.0453","0.043","","","0.1106","0.1134","","","","","","1.048","","","","has coordinates","238925","2020-10-21","18:00:00",""
"1555596","10.4656","0.0003","10.4575","0.0002","26.8799","0.0005","90","","89.999","0.002","90","","2941.84","0.12","290.83","0.1","290.83","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H27 Cl F3 N O5 S -","- C31 H27 Cl F3 N O5 S -","- C124 H108 Cl4 F12 N4 O20 S4 -","4","2","","Zhu, Yuanyuan; Dong, Zhenghao; Cheng, Xin; Zhong, Xiaoling; Liu, Xiaolin; Lin, Li; Shen, Zhiqiang; Yang, Peiju; Li, Yuan; Wang, Hailin; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of CF3- and Indole-Containing Thiochromanes via a Squaramide-Catalyzed Michael-Aldol Reaction.","Organic letters","2016","18","15","3546","3549","10.1021/acs.orglett.6b01498","","x-ray","0.71073","MoKα","","0.0632","0.0451","","","0.0921","0.1043","","","","","","1.016","","","","has coordinates","238927","2020-10-21","18:00:00",""
"1555600","7.272","0.001","9.1963","0.0012","13.4788","0.0018","90","","101.735","0.005","90","","882.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 I N2 O -","- C19 H21 I N2 O -","- C38 H42 I2 N4 O2 -","2","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.065","0.0648","","","0.1865","0.1873","","","","","","1.127","","","","has coordinates","238932","2020-10-21","18:00:00",""
"1555601","10.3077","0.0003","7.8255","0.0002","10.6948","0.0003","90","","117.859","0.001","90","","762.69","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.043","0.043","","","0.116","0.116","","","","","","1.111","","","","has coordinates","238933","2020-10-21","18:00:00",""
"1555624","9.4038","0.001","23.797","0.003","9.9633","0.0011","90","","90.656","0.002","90","","2229.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C104 H136 O16 -","4","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0441","0.0394","","","0.0963","0.0992","","","","","","1.028","","","","has coordinates","238956","2020-10-21","18:00:00",""
"1555627","7.6253","0.001","11.8707","0.0016","16.229","0.002","90","","90.932","0.002","90","","1468.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Cl2 O8 -","- C29 H40 Cl2 O8 -","- C58 H80 Cl4 O16 -","2","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0368","0.0318","","","0.0822","0.0849","","","","","","1.021","","","","has coordinates","238959","2020-10-21","18:00:00",""
"1555631","6.2298","0.0014","12.745","0.003","12.605","0.003","90","","99.799","0.003","90","","986.2","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0496","0.0415","","","0.1064","0.1118","","","","","","1.02","","","","has coordinates","238963","2020-10-21","18:00:00",""
"1555640","8.0776","0.0015","24.432","0.005","11.904","0.002","90","","108.916","0.004","90","","2222.4","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N2 O4.5 S -","- C22 H29 N2 O4.5 S -","- C88 H116 N8 O18 S4 -","4","2","","Lan, Xiaoyu; Tao, Chuangan; Liu, Xuliang; Zhang, Aina; Zhao, Baoguo","Asymmetric Transamination of α-Keto Acids Catalyzed by Chiral Pyridoxamines.","Organic letters","2016","18","15","3658","3661","10.1021/acs.orglett.6b01714","","","0.71073","MoKα","","0.0772","0.0684","","","0.1828","0.1903","","","","","","1.053","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1555659","6.9891","0.0006","17.3736","0.0017","8.347","0.0008","90","","105.219","0.003","90","","978","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang","Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.","Organic letters","2016","18","17","4274","4276","10.1021/acs.orglett.6b01854","","","1.54178","CuKα","","0.0517","0.044","","","0.1105","0.1174","","","","","","1.044","","","","has coordinates","238991","2020-10-21","18:00:00",""
"1555667","11.1615","0.0002","15.7291","0.0002","16.8829","0.0003","90","","105.689","0.002","90","","2853.54","0.09","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","2","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0466","0.0447","","","0.1257","0.1309","","","","","","1.054","","","","has coordinates","238999","2020-10-21","18:00:00",""
"1555670","20.6774","0.0002","5.6019","0.0001","25.4783","0.0002","90","","90.3838","0.0008","90","","2951.15","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C57 H77 Cl3 O22 -","- C57 H77 Cl3 O22 -","- C114 H154 Cl6 O44 -","2","1","","Ma, Xiang; Bolte, Benoit; Banwell, Martin G.; Willis, Anthony C.","Total Syntheses of the Resorcylic Acid Lactones Paecilomycin F and Cochliomycin C Using an Intramolecular Loh-Type α-Allylation Reaction for Macrolide Formation.","Organic letters","2016","18","17","4226","4229","10.1021/acs.orglett.6b01963","","","1.54184","CuKα","","0.0432","0.0413","","0.1171","0.1155","0.1171","","","","","","1.0219","","","","has coordinates","288308","2023-12-14","13:15:21",""
"1555674","10.203","0.002","12.287","0.003","14.177","0.003","90","","90.025","0.003","90","","1777.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 B Br O3 -","- C17 H24 B Br O3 -","- C68 H96 B4 Br4 O12 -","4","2","","Xie, Jian-Bo; Lin, Siqi; Qiao, Shuo; Li, Guigen","Asymmetric Catalytic Enantio- and Diastereoselective Boron Conjugate Addition Reactions of α-Functionalized α,β-Unsaturated Carbonyl Substrates.","Organic letters","2016","18","15","3926","3929","10.1021/acs.orglett.6b01998","","","0.71073","MoKα","","0.0327","0.0322","","","0.0789","0.0792","","","","","","1.022","","","","has coordinates","239004","2020-10-21","18:00:00",""
"1555682","5.804","0.0002","7.1933","0.0002","15.2241","0.0005","90","","94.904","0.001","90","","633.28","0.03","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C26 H34 Br2 O6 -","2","1","","Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R","Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates.","Organic letters","2016","18","16","4120","4123","10.1021/acs.orglett.6b02050","","","1.54178","CuKα","","0.0207","0.0206","","","0.0523","0.0524","","","","","","1.113","","","","has coordinates","239012","2020-10-21","18:00:00",""
"1555689","7.6484","0.0007","7.0465","0.0006","10.9071","0.0009","90","","98.254","0.009","90","","581.74","0.09","293.42","0.1","293.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C26 H38 N2 O4 -","2","1","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","0.71073","MoKα","","0.0469","0.0417","","","0.0952","0.0995","","","","","","1.099","","","","has coordinates","239019","2020-10-21","18:00:00",""
"1555693","11.3376","0.0003","9.2055","0.0002","14.8038","0.0004","90","","106.365","0.001","90","","1482.45","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O3 -","- C36 H36 N2 O3 -","- C72 H72 N4 O6 -","2","1","","Zhang, Jia-Xing; Wang, Hong-Yu; Jin, Qiao-Wen; Zheng, Chang-Wu; Zhao, Gang; Shang, Yong-Jia","Thiourea-Quaternary Ammonium Salt Catalyzed Asymmetric 1, 3-Dipolar Cycloaddition of Imino Esters To Construct Spiro[pyrrolidin-3,3'-oxindoles].","Organic letters","2016","18","19","4774","4777","10.1021/acs.orglett.6b02098","","","1.54178","CuKα","","0.0309","0.0294","","","0.0751","0.0764","","","","","","1.045","","","","has coordinates","239023","2020-10-21","18:00:00",""
"1555707","11.087","0.005","7.621","0.003","12.555","0.005","90","","112.697","0.006","90","","978.7","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Si -","- C26 H22 Si -","- C52 H44 Si2 -","2","1","","Murai, Masahito; Okada, Ryo; Nishiyama, Atsushi; Takai, Kazuhiko","Synthesis and Properties of Sila[n]helicenes via Dehydrogenative Silylation of C-H Bonds under Rhodium Catalysis.","Organic letters","2016","18","17","4380","4383","10.1021/acs.orglett.6b02134","","","0.71075","MoKα","","0.0342","0.0319","","","0.0841","0.0852","","","","","","1.065","","","","has coordinates","239038","2020-10-21","18:00:00",""
"1555715","8.9435","0.0001","8.7011","0.0001","9.261","0.0002","90","","99.32","0.001","90","","711.162","0.019","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C26 H48 O8 -","2","1","","Cornil, Johan; Echeverria, Pierre-Georges; Reymond, Sébastien; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie; Guérinot, Amandine; Cossy, Janine","Synthetic Studies toward the C14-C29 Fragment of Mirabalin.","Organic letters","2016","18","18","4534","4537","10.1021/acs.orglett.6b02162","","","1.54178","CuKα","","0.0309","0.0308","","","0.0842","0.0845","","","","","","1.043","","","","has coordinates,has disorder","239046","2020-10-21","18:00:00",""
"1555727","10.5129","0.0006","8.026","0.0005","12.3315","0.0007","90","","99.836","0.002","90","","1025.19","0.1","122","2","122","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O7 S -","- C18 H21 N3 O7 S -","- C36 H42 N6 O14 S2 -","2","1","","Glibstrup, Emil; Pedersen, Christian Marcus","Scalable Synthesis of Anomerically Pure Orthogonal-Protected GlcN3 and GalN3 from d-Glucosamine.","Organic letters","2016","18","17","4424","4427","10.1021/acs.orglett.6b02241","","","0.71073","MoKα","","0.0473","0.0431","","","0.1082","0.1111","","","","","","1.038","","","","has coordinates","239058","2020-10-21","18:00:00",""
"1555729","11.69","0.04","5.133","0.016","14.52","0.05","90","","109.05","0.03","90","","824","5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Morita, Tomohiro; Akita, Mitsutoshi; Satoh, Tetsuya; Kakiuchi, Fumitoshi; Miura, Masahiro","Ruthenium-Catalyzed Cross-Coupling of Maleimides with Alkenes.","Organic letters","2016","18","18","4598","4601","10.1021/acs.orglett.6b02244","","","0.71075","MoKα","","0.2073","0.0892","","","0.1672","0.2218","","","","","","1.029","","","","has coordinates","239060","2020-10-21","18:00:00",""
"1555752","9.1897","0.0002","10.1219","0.0003","12.6525","0.0003","90","","95.598","0.002","90","","1171.29","0.05","289","2","289","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 Br N3 O3 S -","- C22 H26 Br N3 O3 S -","- C44 H52 Br2 N6 O6 S2 -","2","1","","Zhang, Juan; Chen, Zhi-Xiong; Du, Ting; Li, Bing; Gu, Yonghong; Tian, Shi-Kai","Aryne-Mediated [2,3]-Sigmatropic Rearrangement of Tertiary Allylic Amines.","Organic letters","2016","18","19","4872","4875","10.1021/acs.orglett.6b02344","","","1.54184","CuKα","","0.0377","0.0355","","","0.0934","0.0967","","","","","","1.048","","","","has coordinates","239082","2020-10-21","18:00:00",""
"1555768","11.0767","0.0003","6.1023","0.0002","13.1637","0.0004","90","","104.848","0.001","90","","860.07","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","gamma-hydroxy-beta-lactam, methyl cyclohexyl derivative","","","- C19 H27 N O2 -","- C19 H27 N O2 -","- C38 H54 N2 O4 -","2","1","","Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.","Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.","Organic letters","2016","18","19","4978","4981","10.1021/acs.orglett.6b02416","","","1.54178","CuKα","","0.0276","0.0272","","","0.074","0.0745","","","","","","1.077","","","","has coordinates","239098","2020-10-21","18:00:00",""
"1555821","8.4714","0.0001","6.2472","0.00006","17.1326","0.0003","90","","101.606","0.002","90","","888.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Akula, Ramulu; Guiry, Patrick J.","Enantioselective Synthesis of α-Allyl-α-aryldihydrocoumarins and 3-Isochromanones via Pd-Catalyzed Decarboxylative Asymmetric Allylic Alkylation.","Organic letters","2016","18","21","5472","5475","10.1021/acs.orglett.6b02584","","","1.54184","CuKα","","0.0295","0.0277","","","0.0708","0.0723","","","","","","1.044","","","","has coordinates","239149","2020-10-21","18:00:00",""
"1555830","6.7535","0.0002","10.0644","0.0002","12.3488","0.0003","90","","91.205","0.001","90","","839.16","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","YS-69-53","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Shi, Yunlong; Pierce, Joshua G.","Stereocontrolled Synthesis of (+)-Plagiogyrin A.","Organic letters","2016","18","20","5308","5311","10.1021/acs.orglett.6b02629","","","0.71073","MoKα","","0.0426","0.0362","","","0.0862","0.0909","","","","","","1.02","","","","has coordinates","239158","2020-10-21","18:00:00",""
"1555871","16.7926","0.0013","23.6471","0.0019","19.7202","0.0015","90","","91.4006","0.0015","90","","7828.5","1.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H123 Cl8 Cu10 I10 N18 O12 -","- C138 H115 Cu10 I10 N18 O12 -","- C276 H230 Cu20 I20 N36 O24 -","2","1","","Dasgupta, Srimoyee; Liu, Jixin; Shoffler, Clarissa A.; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective, Copper-Catalyzed Alkynylation of Ketimines To Deliver Isoquinolines with α-Diaryl Tetrasubstituted Stereocenters.","Organic letters","2016","18","23","6006","6009","10.1021/acs.orglett.6b02787","","","0.71073","MoKα","","0.0965","0.0535","","","0.1197","0.1335","","","","","","0.907","","","","has coordinates","239196","2020-10-21","18:00:00",""
"1555872","8.7464","0.0004","9.4368","0.0004","11.5501","0.0006","90","","93.365","0.002","90","","951.68","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C50 H38 N2 O4 -","2","1","","Dasgupta, Srimoyee; Liu, Jixin; Shoffler, Clarissa A.; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective, Copper-Catalyzed Alkynylation of Ketimines To Deliver Isoquinolines with α-Diaryl Tetrasubstituted Stereocenters.","Organic letters","2016","18","23","6006","6009","10.1021/acs.orglett.6b02787","","","1.54178","CuKα","","0.0458","0.0411","","","0.1157","0.1207","","","","","","1.122","","","","has coordinates","239197","2020-10-21","18:00:00",""
"1555886","10.7641","0.0008","11.7191","0.0008","11.5933","0.0008","90","","95.782","0.001","90","","1455","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Fe N2 P -","- C36 H34 Fe N2 P -","- C72 H68 Fe2 N4 P2 -","2","1","","Hou, Chuan-Jin; Hu, Xiang-Ping","Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution.","Organic letters","2016","18","21","5592","5595","10.1021/acs.orglett.6b02828","","","0.71073","MoKα","","0.032","0.0307","","","0.0709","0.0716","","","","","","0.999","","","","has coordinates,has disorder","239211","2020-10-21","18:00:00",""
"1555908","7.5678","0.0006","5.1454","0.0004","16.9271","0.0014","90","","98.7561","0.0018","90","","651.45","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 O S -","- C16 H16 O S -","- C32 H32 O2 S2 -","2","1","","Gómez, José Enrique; Guo, Wusheng; Kleij, Arjan W.","Palladium-Catalyzed Stereoselective Formation of Substituted Allylic Thioethers and Sulfones.","Organic letters","2016","18","23","6042","6045","10.1021/acs.orglett.6b02981","","","0.71073","MoKα","","0.039","0.0377","","","0.0992","0.1038","","","","","","1.049","","","","has coordinates","239233","2020-10-21","18:00:00",""
"1555922","5.7737","0.0006","7.9024","0.0007","11.5568","0.0009","90","","100.734","0.006","90","","518.07","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C20 H34 N2 O6 -","2","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.0362","0.033","","","0.0813","0.0826","","","","","","1.272","","","","has coordinates","239247","2020-10-21","18:00:00",""
"1555923","6.9214","0.0005","6.4235","0.0005","11.479","0.0008","90","","105.437","0.005","90","","491.94","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.0427","0.0369","","","0.0858","0.0889","","","","","","1.051","","","","has coordinates","239248","2020-10-21","18:00:00",""
"1555936","5.1132","0.0001","29.4098","0.0007","8.8232","0.0002","90","","92.686","0.001","90","","1325.36","0.05","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Liew, Sean K.; Kaldas, Sherif J.; Yudin, Andrei K.","A Linchpin Synthesis of 6-Hydroxyceramides from Aziridine Aldehydes.","Organic letters","2016","18","24","6268","6271","10.1021/acs.orglett.6b03067","","","1.54178","CuKα","","0.0475","0.0422","","","0.1116","0.116","","","","","","1.057","","","","has coordinates,has disorder","239257","2020-10-21","18:00:00",""
"1555938","10.243","0.0003","9.991","0.0003","12.37","0.0004","90","","106.182","0.001","90","","1215.76","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H26 F N O2 S -","- C29 H26 F N O2 S -","- C58 H52 F2 N2 O4 S2 -","2","1","","Xiao, Guolan; Ma, Chaoqun; Xing, Dong; Hu, Wenhao","Enantioselective Synthesis of α-Mercapto-β-amino Esters via Rh(II)/Chiral Phosphoric Acid-Cocatalyzed Three-Component Reaction of Diazo Compounds, Thiols, and Imines.","Organic letters","2016","18","23","6086","6089","10.1021/acs.orglett.6b03075","","","0.71073","MoKα","","0.0342","0.0317","","","0.0857","0.0882","","","","","","1.025","","","","has coordinates","239259","2020-10-21","18:00:00",""
"1555939","9.2014","0.0003","10.8506","0.0003","12.1","0.0004","90","","91.8595","0.0009","90","","1207.44","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","2","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0272","0.0272","","","0.0713","0.0713","","","","","","1.045","","","","has coordinates","239260","2020-10-21","18:00:00",""
"1555940","6.9162","0.0002","15.552","0.0004","12.5396","0.0003","90","","102.049","0.0009","90","","1319.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0285","0.0283","","","0.0734","0.0736","","","","","","1.04","","","","has coordinates","239261","2020-10-21","18:00:00",""
"1555946","7.46386","0.00006","20.34874","0.00017","14.16918","0.00013","90","","92.7434","0.0008","90","","2149.55","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H39 O3 -","- C23 H39 O3 -","- C92 H156 O12 -","4","2","","Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.","Organic letters","2016","18","23","6132","6135","10.1021/acs.orglett.6b03142","","x-ray","1.54184","CuKα","","0.0502","0.0482","","","0.1327","0.1358","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1555950","12.0052","0.0002","7.5696","0.0001","12.6467","0.0002","90","","113.646","0.001","90","","1052.77","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","","Michalak, Karol; Morawiak, Maja; Wicha, Jerzy","Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.","Organic letters","2016","18","23","6148","6151","10.1021/acs.orglett.6b03157","","","1.54178","CuKα","","0.0457","0.0365","","","0.0879","0.0944","","","","","","1.041","","","","has coordinates","239271","2020-10-21","18:00:00",""
"1555951","6.1334","0.0013","25.169","0.006","7.7489","0.0016","90","","95.807","0.012","90","","1190.1","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O5 -","- C26 H38 O5 -","- C52 H76 O10 -","2","1","","Michalak, Karol; Morawiak, Maja; Wicha, Jerzy","Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.","Organic letters","2016","18","23","6148","6151","10.1021/acs.orglett.6b03157","","","1.54178","CuKα","","0.0647","0.0526","","","0.1516","0.1613","","","","","","1.014","","","","has coordinates","239272","2020-10-21","18:00:00",""
"1555960","8.51","0.002","12.408","0.003","8.644","0.002","90","","90.049","0.004","90","","912.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-11-(2-(4-methylpiperazin-1-yl)-2-oxoethylidene)-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.0366","0.0355","","","0.0913","0.0922","","","","","","1.075","","","","has coordinates","239281","2020-10-21","18:00:00",""
"1555974","5.4346","0.0003","9.6489","0.0005","14.5339","0.0008","90","","99.157","0.002","90","","752.41","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N3 O -","- C17 H14 Br N3 O -","- C34 H28 Br2 N6 O2 -","2","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Kinetic Resolution Driven Diastereo- and Enantioselective Synthesis of cis-β-Heteroaryl Amino Cycloalkanols by Ruthenium-Catalyzed Asymmetric Transfer Hydrogenation.","Organic letters","2016","18","24","6436","6439","10.1021/acs.orglett.6b03334","","","0.71073","MoKα","","0.0252","0.0222","","","0.0431","0.044","","","","","","1.069","","","","has coordinates","239295","2020-10-21","18:00:00",""
"1555980","11.8603","0.0006","9.4892","0.0004","12.0188","0.0009","90","","118.477","0.008","90","","1188.99","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N7 O2 -","- C26 H27 N7 O2 -","- C52 H54 N14 O4 -","2","1","","Shiomi, Noriyuki; Yamamoto, Keisuke; Nagasaki, Kazuma; Hatanaka, Tsubasa; Funahashi, Yasuhiro; Nakamura, Shuichi","Enantioselective Oxidative Ring-Opening Reaction of Aziridines with α-Nitroesters Using Cinchona Alkaloid Amide/Nickel(II) Catalysts.","Organic letters","2017","19","1","74","77","10.1021/acs.orglett.6b03346","","","0.71075","MoKα","","0.0818","0.0509","","","0.0835","0.0895","","","","","","1.003","","","","has coordinates","239301","2020-10-21","18:00:00",""
"1555981","11.8971","0.0006","5.9845","0.0003","12.3079","0.0007","90","","95.961","0.002","90","","871.56","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Ming, Jialin; Hayashi, Tamio","Aryloxymethyltrifluoroborates for Rhodium-Catalyzed Asymmetric Conjugate Arylation. o-Methoxyarylation through 1,4-Rhodium Shift.","Organic letters","2016","18","24","6452","6455","10.1021/acs.orglett.6b03347","","","1.54178","CuKα","","0.0267","0.0264","","","0.0694","0.0696","","","","","","1.09","","","","has coordinates","239302","2020-10-21","18:00:00",""
"1555988","7.128","0.0004","13.9482","0.0007","9.3993","0.0005","90","","92.464","0.002","90","","933.64","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C42 H56 O12 -","2","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0614","0.0607","","","0.1587","0.1603","","","","","","1.062","","","","has coordinates","239309","2020-10-21","18:00:00",""
"1555996","6.0625","0.0002","19.5089","0.0007","16.3468","0.0006","90","","96.885","0.002","90","","1919.44","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","2","","Wu, Chun-Yan; Yu, Yue-Na; Xu, Ming-Hua","Construction of Chiral Tricyclic Indoles through a Rhodium-Catalyzed Asymmetric Arylation Protocol.","Organic letters","2017","19","2","384","387","10.1021/acs.orglett.6b03585","","","0.71073","MoKα","","0.1211","0.1029","","","0.2877","0.3146","","","","","","0.901","","","","has coordinates,has disorder","239317","2020-10-21","18:00:00",""
"1556000","11.0611","0.0004","6.743","0.0003","13.0444","0.0005","90","","102.392","0.003","90","","950.25","0.07","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Ma, Peng-Ju; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diastereoselective Electrophilic α-Hydroxyamination of N-tert-Butanesulfinyl Imidates.","Organic letters","2017","19","3","670","673","10.1021/acs.orglett.6b03835","","","0.71073","MoKα","","0.0449","0.0399","","","0.1027","0.1074","","","","","","1.054","","","","has coordinates","239322","2020-10-21","18:00:00",""
"1556023","9.9321","0.0016","22.705","0.004","19.824","0.003","90","","98.538","0.003","90","","4420.9","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N S2 -","- C11 H13 N S2 -","- C176 H208 N16 S32 -","16","8","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I2-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.09","0.045","","","0.0992","0.1208","","","","","","0.974","","","","has coordinates","239344","2020-10-21","18:00:00",""
"1556028","9.624","0.004","31.096","0.016","13.229","0.007","90","","91.141","0.01","90","","3958","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H27 Br O2 -","- C32 H27 Br O2 -","- C192 H162 Br6 O12 -","6","3","","Perveen, Saima; Zhao, Zhifei; Zhang, Guoxiang; Liu, Jian; Anwar, Muhammad; Fang, Xinqiang","Enantioselective Synthesis of 1,2-Dihydronaphthalenes via Oxidative N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","10","2470","2473","10.1021/acs.orglett.7b00555","","","0.71073","MoKα","","0.1837","0.107","","","0.1661","0.1981","","","","","","1.151","","","","has coordinates","239349","2020-10-21","18:00:00",""
"1556030","11.0167","0.0004","8.4713","0.0003","13.145","0.0005","90","","112.969","0.004","90","","1129.5","0.08","294.16","0.13","294.16","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Ran, Guang-Yao; Gong, Ming; Yue, Jing-Fei; Yang, Xing-Xing; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Cascade Assembly of 1,2-Diaza-1,3-dienes and α,β-Unsaturated Aldehydes via Dienamine Activation.","Organic letters","2017","19","7","1874","1877","10.1021/acs.orglett.7b00636","","x-ray","1.54184","CuKα","","0.0543","0.0529","","","0.1352","0.1376","","","","","","1.037","","","","has coordinates","239351","2020-10-21","18:00:00",""
"1556037","6.0965","0.0003","7.8294","0.0003","17.9271","0.0008","90","","96.951","0.002","90","","849.41","0.07","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","","Zhang, Jingfang; Tang, Yuhai; Wei, Wen; Wu, Yong; Li, Yang; Zhang, Junjie; Zheng, Yuansuo; Xu, Silong","Organocatalytic Cloke-Wilson Rearrangement: DABCO-Catalyzed Ring Expansion of Cyclopropyl Ketones to 2,3-Dihydrofurans.","Organic letters","2017","19","12","3043","3046","10.1021/acs.orglett.7b00805","","","0.71073","MoKα","","0.0649","0.0523","","","0.1331","0.1389","","","","","","1.054","","","","has coordinates","239358","2020-10-21","18:00:00",""
"1556060","9.5791","0.0001","8.5119","0.0001","15.0831","0.0002","90","","100.912","0.0015","90","","1207.58","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O10 Si -","- C20 H34 O10 Si -","- C40 H68 O20 Si2 -","2","1","","Fegheh-Hassanpour, Younes; Arif, Tanzeel; Sintim, Herman O.; Al Mamari, Hamad H.; Hodgson, David M.","Synthesis of (-)-6,7-Dideoxysqualestatin H5 by Carbonyl Ylide Cycloaddition-Rearrangement and Cross-electrophile Coupling.","Organic letters","2017","19","13","3540","3543","10.1021/acs.orglett.7b01513","","","1.54184","CuKα","","0.0249","0.0248","","0.0661","0.066","0.0661","","","","","","1.004","","","","has coordinates","239380","2020-10-21","18:00:00",""
"1556061","10.1616","0.0019","8.0804","0.0016","12.874","0.002","90","","98.272","0.004","90","","1046.1","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C42 H36 Br4 O10 -","2","1","","Zhong, Xingren; Lv, Jian; Luo, Sanzhong","Enantio- and Diastereoselective Cyclopropanation of β,γ-Unsaturated α-Ketoester by a Chiral Phosphate/Indium(III) Complex.","Organic letters","2017","19","12","3331","3334","10.1021/acs.orglett.7b01577","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0697","","","","","","1.05","","","","has coordinates","239381","2020-10-21","18:00:00",""
"1556063","12.0435","0.0011","8.0033","0.0007","23.937","0.002","90","","102.088","0.003","90","","2256.1","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H38 O4 S Si -","- C19 H38 O4 S Si -","- C76 H152 O16 S4 Si4 -","4","2","","Santalla, Hugo; Faza, Olalla Nieto; Gómez, Generosa; Fall, Yagamare; Silva López, Carlos","From Hydrindane to Decalin: A Mild Transformation through a Dyotropic Ring Expansion.","Organic letters","2017","19","13","3648","3651","10.1021/acs.orglett.7b01621","","","0.71073","MoKα","","0.046","0.0401","","","0.0974","0.101","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556064","8.6959","0.0017","9.773","0.002","8.8762","0.0018","90","","93.14","0.03","90","","753.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Wang, Jie; Wang, Lili; Guo, Shan; Zha, Shanke; Zhu, Jin","Synthesis of 2,3-Benzodiazepines via Rh(III)-Catalyzed C-H Functionalization of N-Boc Hydrazones with Diazoketoesters.","Organic letters","2017","19","13","3640","3643","10.1021/acs.orglett.7b01642","","","1.54178","CuKα","","0.0291","0.0281","","","0.0729","0.0739","","","","","","1.043","","","","has coordinates","239384","2020-10-21","18:00:00",""
"1556067","9.4312","0.0008","11.6729","0.0009","14.7247","0.0011","90","","100.851","0.002","90","","1592.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Br O3 -","- C37 H37 Br O3 -","- C74 H74 Br2 O6 -","2","1","","Liu, Shuai; Lan, Xin-Chan; Chen, Ke; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Ag/Brønsted Acid Co-Catalyzed Spiroketalization of β-Alkynyl Ketones toward Spiro[chromane-2,1'-isochromene] Derivatives.","Organic letters","2017","19","14","3831","3834","10.1021/acs.orglett.7b01705","","","0.71073","MoKα","","0.0831","0.0434","","","0.0734","0.0792","","","","","","1.075","","","","has coordinates","239387","2020-10-21","18:00:00",""
"1556073","11.6927","0.0001","16.4378","0.0001","15.7568","0.0001","90","","108.557","0.001","90","","2871.03","0.04","150","0.1","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","2","","Yin, Guo-Ping; Wu, Ya-Rong; Yang, Ming-Hua; Li, Tian-Xiao; Wang, Xiao-Bing; Zhou, Miao-Miao; Lei, Jian-Li; Kong, Ling-Yi","Citrifurans A-D, Four Dimeric Aromatic Polyketides with New Carbon Skeletons from the Fungus Aspergillus sp.","Organic letters","2017","19","15","4058","4061","10.1021/acs.orglett.7b01823","","","1.54184","CuKα","","0.0644","0.0623","","","0.1943","0.1982","","","","","","1.085","","","","has coordinates,has disorder","239389","2020-10-21","18:00:00",""
"1556079","11.5652","0.0019","4.8925","0.0008","13.332","0.002","90","","92.835","0.003","90","","753.4","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C28 H24 Br2 Cl2 N4 O8 -","2","1","","Robins, Lori I.; Fettinger, James C.; Tinti, Dino S.; Kurth, Mark J.","Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids.","Journal of combinatorial chemistry","2007","9","1","139","142","10.1021/cc0601074","","","0.71073","MoKα","","0.0682","0.0552","","","0.1437","0.1484","","","","","","1.048","","","","has coordinates","239709","2020-10-21","18:00:00",""
"1556080","11.2529","0.0005","12.5689","0.0005","14.178","0.0006","90","","101.369","0.001","90","","1965.94","0.14","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C70 H76 Cl4 F12 Fe2 N8 O12 S4 -","2","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0218","0.0211","","","0.0528","0.0532","","","","","","1.041","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556083","8.63","0.005","15.205","0.007","12.2","0.009","90","","105.42","0.04","90","","1543.2","1.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","2","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0342","0.0342","","","0.0902","0.0903","","","","","","1.05","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556091","13.9166","0.0002","26.445","0.0004","19.7632","0.0003","90","","103.535","0.0015","90","","7071.35","0.19","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","[Ag3Cl2(dppa)3](BF4)","","- C72 H63 Ag3 B Cl2 F4 N3 P6 -","- C72 H63 Ag3 B Cl2 F4 N3 P6 -","- C288 H252 Ag12 B4 Cl8 F16 N12 P24 -","4","2","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","x-ray","1.54184","CuKα","","0.0592","0.0565","","","0.1516","0.1542","","","","","","1.06","","","","has coordinates,has disorder","242767","2020-10-21","18:00:00",""
"1556093","13.0075","0.0004","5.43017","0.00011","13.93996","0.00033","90","","101.113","0.0014","90","","966.16","0.04","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","2","","Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes","The Journal of Physical Chemistry C","2013","117","23","12136","","10.1021/jp401547f","powder diffraction","x-ray","1.5406","","","","","","","","","0.15861","","1.34","","","","","","","has coordinates","243453","2020-10-21","18:00:00",""
"1556094","12.1112","0.0005","5.4213","0.00017","13.7691","0.0005","90","","100.011","0.0035","90","","890.29","0.06","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C36 H44 N4 O10 -","2","1","","Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes","The Journal of Physical Chemistry C","2013","117","23","12136","","10.1021/jp401547f","powder diffraction","x-ray","1.5406","","","","","","","","","0.16533","","1.22","","","","","","","has coordinates","243454","2020-10-21","18:00:00",""
"1556095","12.063","0.011","5.412","0.005","13.676","0.013","90","","99.5976","0.0026","90","","880.3","1.4","","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","","Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes","The Journal of Physical Chemistry C","2013","117","23","12136","","10.1021/jp401547f","powder diffraction","x-ray","1.5406","","","","","","","","","0.08015","","3.01","","","","","","","has coordinates","243455","2020-10-21","18:00:00",""
"1556097","9.8681","0.0014","17.5","0.002","12.2922","0.0012","90","","102.706","0.011","90","","2070.8","0.4","100","2","100","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","2","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.","Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.","The journal of physical chemistry. A","2014","118","40","9568","9574","10.1021/jp506874q","","x-ray","0.71073","MoKα","","0.046","0.0386","","","0.0872","0.0892","","","","","","1.032","","","","has coordinates","243457","2020-10-21","18:00:00",""
"1556098","11.2339","0.0003","6.2411","0.0002","11.7846","0.0003","90","","116.682","0.001","90","","738.26","0.04","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 Br2 Cl3 O -","- C10 H15 Br2 Cl3 O -","- C20 H30 Br4 Cl6 O2 -","2","1","","Motti, Cherie A.; Thomas-Hall, Peter; Hagiwara, Kehau A.; Simmons, Charles J.; Willis, Rick; Wright, Anthony D.","Accelerated identification of halogenated monoterpenes from Australian specimens of the red algae Plocamium hamatum and Plocamium costatum.","Journal of natural products","2014","77","5","1193","1200","10.1021/np500059h","","","0.71069","MoKα","","","0.0374","","","","0.0419","","","","","","1.053","","","","has coordinates","243461","2020-10-21","18:00:00",""
"1556110","9.1105","0.0007","9.7461","0.0009","13.7386","0.0011","90","","101.569","0.005","90","","1195.09","0.17","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-(R)-3nb","(R)-(-)-6-Acetoxymethyl-2'-bromobiphenyl-2,3,4,5-tetrazcarboxylic acid tetramethyl ester","","- C23 H21 Br O10 -","- C23 H21 Br O10 -","- C46 H42 Br2 O20 -","2","1","","Tanaka, Ken; Nishida, Goushi; Ogino, Masakazu; Hirano, Masao; Noguchi, Keiichi","Enantioselective synthesis of axially chiral biaryls through rhodium-catalyzed complete intermolecular cross-cyclotrimerization of internal alkynes.","Organic letters","2005","7","14","3119","3121","10.1021/ol0511880","","","1.5418","CuKα","","0.0305","0.0287","","","0.078","0.0798","","","","","","1.051","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556111","11.9029","0.0013","6.4499","0.0004","13.0137","0.0014","90","","99.747","0.013","90","","984.67","0.17","173","","173","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O5 -","- C21 H22 Cl N O5 -","- C42 H44 Cl2 N2 O10 -","2","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0412","0.0308","","","0.0634","0.0658","","","","","","0.894","","","","has coordinates","243473","2020-10-21","18:00:00",""
"1556115","7.9578","0.0003","20.7251","0.0009","11.7791","0.0005","90","","110.834","0.003","90","","1815.66","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed [2+2+2] cycloaddition of 1,6-diynes with isothiocyanates and carbon disulfide.","Organic letters","2006","8","5","907","909","10.1021/ol053044r","","","1.54187","CuKα","","0.0332","0.028","","","0.0664","0.0711","","","","","","1.125","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556125","6.9621","0.0012","36.328","0.006","6.9667","0.0012","90","","117.642","0.002","90","","1560.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","frojc01","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","2","","Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.","A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.","Organic letters","2012","14","16","4082","4085","10.1021/ol3017116","","","0.71073","MoKα","","0.1155","0.0858","","","0.2293","0.2512","","","","","","1.059","","","","has coordinates,has disorder","243487","2020-10-21","18:00:00",""
"1556129","11.479","0.002","16.064","0.002","12.35","0.002","90","","101.98","0.01","90","","2227.7","0.6","120","1","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C90 H138 N6 O18 -","6","3","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0477","0.0294","","","0.0631","0.0672","","","","","","0.903","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556159","7.1383","0.0001","10.6018","0.0001","12.0383","0.0001","90","","102.375","0.0006","90","","889.876","0.017","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N3 O -","- C21 H20 F N3 O -","- C42 H40 F2 N6 O2 -","2","1","","Aillaud, Isabelle; Barber, David M.; Thompson, Amber L.; Dixon, Darren J.","Enantioselective Michael addition/iminium ion cyclization cascades of tryptamine-derived ureas.","Organic letters","2013","15","12","2946","2949","10.1021/ol401039h","","","1.5418","CuKα","","0.0259","0.0258","","0.0665","0.0664","0.0665","","","","","","0.9678","","","","has coordinates","243513","2020-10-21","18:00:00",""
"1556169","6.1243","0.0013","7.9668","0.0017","12.884","0.003","90","","98.931","0.003","90","","621","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O Si -","- C12 H20 N2 O Si -","- C24 H40 N4 O2 Si2 -","2","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.0444","0.0344","","","0.0969","0.1059","","","","","","0.803","","","","has coordinates","243523","2020-10-21","18:00:00",""
"1556172","6.1008","0.0002","7.6894","0.0002","17.0974","0.0004","90","","99.543","0.001","90","","790.97","0.04","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark","Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.","Organic letters","2013","15","13","3226","3229","10.1021/ol4011739","","","1.54178","CuKα","","0.0259","0.0257","","","0.0728","0.0732","","","","","","1.043","","","","has coordinates","243526","2020-10-21","18:00:00",""
"1556187","9.5437","0.0016","15.151","0.003","10.6193","0.0019","90","","111.641","0.008","90","","1427.3","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 F N O4 S2 -","- C34 H26 F N O4 S2 -","- C68 H52 F2 N2 O8 S4 -","2","1","","Matsuzaki, Kohei; Furukawa, Tatsuya; Tokunaga, Etsuko; Matsumoto, Takashi; Shiro, Motoo; Shibata, Norio","Highly enantioselective monofluoromethylation of C2-arylindoles using FBSM under chiral phase-transfer catalysis.","Organic letters","2013","15","13","3282","3285","10.1021/ol4013102","","","1.54187","CuKα","","","0.0803","","","","0.207","","","","","","1.029","","","","has coordinates","243541","2020-10-21","18:00:00",""
"1556189","6.2434","0.0005","8.0127","0.0007","21.1301","0.0018","90","","90.262","0.002","90","","1057.05","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Ni, Shengjun; Chen, Jie; Ma, Shengming","Unexpected regioselectivity switch: organophosphine-triggered reactions of cyclopropene-1,1-dicarboxylates with aldehydes.","Organic letters","2013","15","13","3290","3293","10.1021/ol401324z","","","0.71073","MoKα","","0.0593","0.0472","","","0.1223","0.131","","","","","","1.029","","","","has coordinates","243543","2020-10-21","18:00:00",""
"1556198","8.1366","0.0005","12.602","0.0006","9.5079","0.0005","90","","110.672","0.003","90","","912.15","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C40 H40 O6 S2 -","2","1","","Shirakawa, Seiji; Tokuda, Takashi; Kasai, Atsuyuki; Maruoka, Keiji","Design of chiral bifunctional quaternary phosphonium bromide catalysts possessing an amide moiety.","Organic letters","2013","15","13","3350","3353","10.1021/ol4013926","","","1.54187","CuKα","","","0.0369","","","","0.1343","","","","","","0.989","","","","has coordinates","243552","2020-10-21","18:00:00",""
"1556211","10.107","0.0006","6.8488","0.0005","16.9251","0.0012","90","","90.667","0.006","90","","1171.49","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 S -","- C24 H24 N2 O5 S -","- C48 H48 N4 O10 S2 -","2","1","","Meninno, Sara; Croce, Gianluca; Lattanzi, Alessandra","Asymmetric synthesis of trisubstituted tetrahydrothiophenes bearing a quaternary stereocenter via double Michael reaction involving dynamic kinetic resolution.","Organic letters","2013","15","13","3436","3439","10.1021/ol4014975","","","0.71073","MoKα","","0.1119","0.0514","","","0.0865","0.1025","","","","","","0.975","","","","has coordinates","243566","2020-10-21","18:00:00",""
"1556246","17.426","0.002","23.338","0.003","18.322","0.002","90","","101.814","0.004","90","","7293.5","1.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C272 H384 Br16 N16 O32 -","16","8","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.2349","0.1063","","","0.2268","0.2965","","","","","","1.389","","","","has coordinates","243592","2020-10-21","18:00:00",""
"1556253","10.1618","0.0002","9.79637","0.00018","16.8542","0.0004","90","","103.655","0.002","90","","1630.39","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 F6 Mn N6 O6 S2 -","- C26 H36 F6 Mn N6 O6 S2 -","- C52 H72 F12 Mn2 N12 O12 S4 -","2","1","","Cussó, Olaf; Garcia-Bosch, Isaac; Font, David; Ribas, Xavi; Lloret-Fillol, Julio; Costas, Miquel","Highly stereoselective epoxidation with H2O2 catalyzed by electron-rich aminopyridine manganese catalysts.","Organic letters","2013","15","24","6158","6161","10.1021/ol403018x","","","1.54184","CuKα","","0.0566","0.0519","","","0.142","0.1467","","","","","","1.063","","","","has coordinates,has disorder","243599","2020-10-21","18:00:00",""
"1556261","9.5947","0.0011","4.8799","0.0006","13.6316","0.0016","90","","94.414","0.002","90","","636.35","0.13","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 F6 N S -","- C13 H7 F6 N S -","- C26 H14 F12 N2 S2 -","2","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0759","0.079","","","","","","1.041","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556336","16.493","0.003","23.276","0.005","16.775","0.003","90","","118.1","0.03","90","","5681","2","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C270 H200 Cl12 F6 O6 P12 Rh6 S2 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.1018","0.0424","","","0.0617","0.0745","","","","","","0.554","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556338","11.2912","0.0006","16.6047","0.0006","11.4464","0.0005","90","","105.766","0.004","90","","2065.32","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H56 Br2 P4 Rh2 -","- C36 H56 Br2 P4 Rh2 -","- C72 H112 Br4 P8 Rh4 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0204","0.0198","","","0.0498","0.05","","","","","","1.04","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556352","15.6191","0.0005","27.7932","0.0008","19.045","0.0006","90","","97.395","0.003","90","","8198.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C355 H283 K18 N47 Nd6 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0914","0.0626","","","0.1206","0.1355","","","","","","1.054","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556558","9.4718","0.0016","18.095","0.003","10.1331","0.0018","90","","103.908","0.003","90","","1685.8","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Cl2 N4 Zn -","- C13 H26 Cl2 N4 Zn -","- C52 H104 Cl8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.06","0.0434","","","0.0885","0.0942","","","","","","0.985","","","","has coordinates","245054","2020-10-21","18:00:00",""
"1556559","9.2972","0.0019","14.257","0.003","13.2","0.003","90","","101.844","0.003","90","","1712.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Br2 N4 Zn -","- C13 H26 Br2 N4 Zn -","- C52 H104 Br8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0519","0.0455","","","0.1129","0.1164","","","","","","1.027","","","","has coordinates","245055","2020-10-21","18:00:00",""
"1556567","6.3628","0.0003","11.7561","0.0004","35.3232","0.0013","90","","90","","90","","2642.24","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C120 H192 O18 -","6","3","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of Pieris japonica.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54178","CuKα","","0.0551","0.0541","","","0.1445","0.1451","","","","","","1.033","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556568","12.7615","0.0001","23.2559","0.0002","12.8688","0.0001","90","","90.966","0.001","90","","3818.66","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O6 -","- C20 H34 O6 -","- C160 H272 O48 -","8","4","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of Pieris japonica.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","x-ray","1.54184","CuKα","","0.0336","0.0315","","","0.079","0.08","","","","","","1.059","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556571","6.5625","0.0002","17.9101","0.0005","9.5523","0.0003","90","","100.924","0.001","90","","1102.39","0.06","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C46 H76 O16 -","2","1","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of Pieris japonica.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54178","CuKα","","0.0268","0.0268","","","0.0724","0.0725","","","","","","1.075","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556578","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","beta-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.1379","0.1276","","","0.2894","0.2964","","","","","","1.18","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556580","10.4542","0.0005","12.3869","0.0006","10.614","0.0005","90","","117.912","0.001","90","","1214.57","0.1","100","2","99.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H36 F6 N O6 P Si2 -","- C14 H36 F6 N O6 P Si2 -","- C28 H72 F12 N2 O12 P2 Si4 -","2","1","","Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.","Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding","Inorganics","2018","6","","15","","10.3390/inorganics6010015","","","0.71073","MoKα","","0.0207","0.0203","","","0.0528","0.0529","","","","","","1.076","","","","has coordinates,has disorder","245200","2020-10-21","18:00:00",""
"1556599","13.2313","0.0009","30.795","0.002","18.556","0.0012","90","","94.183","0.002","90","","7540.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C350 H328 Ag8 Fe4 O30 P16 -","4","2","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0392","0.0316","","","0.0638","0.0672","","","","","","1.089","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556613","5.0015","0.0006","16.944","0.002","11.5374","0.0015","90","","92.433","0.01","90","","976.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H16 N2 -","- C28 H16 N2 -","- C56 H32 N4 -","2","1","","Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B.","Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application","Inorganics","2018","6","","97","","10.3390/inorganics6030097","","","0.71073","MoKα","","0.2449","0.0799","","","0.1714","0.2388","","","","","","0.805","","","","has coordinates","245250","2020-10-21","18:00:00",""
"1556704","22.0328","0.001","21.2168","0.0007","33.589","0.003","90","","102.198","0.005","90","","15347.2","1.6","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 N4 O8 S3 -","- C37 N4 O8 S3 -","- C148 N16 O32 S12 -","4","2","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","x-ray","1.54184","CuKα","","0.2265","0.1541","","","0.3571","0.407","","","","","","1.025","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556710","8.10721","0.00004","9.16946","0.00003","15.13501","0.00004","90","","103.244","0.0003","90","","1095.19","0.007","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O6 -","- C25 H32 O6 -","- C50 H64 O12 -","2","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0272","0.0272","","","0.0739","0.0739","","","","","","0.887","","","","has coordinates","245533","2020-10-21","18:00:00",""
"1556731","10.3797","0.0014","8.3706","0.0011","10.7275","0.0014","90","","105.568","0.003","90","","897.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C42 H56 N4 O4 S2 -","2","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.0734","0.0473","","","0.0968","0.11","","","","","","1.024","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556813","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0216","0.0214","","","0.0588","0.0602","","","2.62","","","1.1","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556814","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0269","0.0262","","","0.0724","0.0738","","","2.62","","","1.111","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556815","13.589","0.003","8.0415","0.0016","14.943","0.003","90","","93.998","0.013","90","","1628.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,4,-dichloro-9,10-dimethylotriptycene","1,4,-dichloro-9,10-dimethylotriptycene","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0724","0.0724","","","0.1923","0.1923","","","2.62","","","1.56","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556847","4.9029","0.0001","9.8824","0.0002","10.7838","0.0003","90","","100.543","0.003","90","","513.68","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 F6 O3 -","- C7 H10 F6 O3 -","- C14 H20 F12 O6 -","2","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0892","0.0897","","","","","","1.08","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556850","8.26597","0.00008","9.64323","0.00009","10.64668","0.00011","90","","98.2546","0.0009","90","","839.862","0.014","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Guo, Yong-Wei; Gong, Ben-Qiang; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Huang, Yun; Li, Jian-Feng; Yang, De-Po; Lan, Wen-Jian","l-Phenylalanine Alters the Privileged Secondary Metabolite Production in the Marine-Derived Fungus Trichoderma erinaceum F1-1","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00710","","x-ray","1.54184","CuKα","","0.0298","0.029","","","0.0757","0.0767","","","","","","1.048","","","","has coordinates","246315","2020-10-21","18:00:00",""
"1556884","8.20579","0.00016","29.4208","0.0008","16.5731","0.0003","90","","93.223","0.002","90","","3994.76","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N3 O3 P -","- C40 H36 F6 N3 O3 P -","- C160 H144 F24 N12 O12 P4 -","4","2","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0903","0.0679","","","0.1859","0.2124","","","","","","1.01","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556910","10.18405","0.00005","9.71457","0.00005","18.82762","0.00009","90","","93.0169","0.0004","90","","1860.1","0.016","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21.25 N3 O2.125 -","- C22 H21.25 N3 O2.125 -","- C88 H85 N12 O8.5 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp3-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0679","0.0682","","","","","","1.044","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1556912","12.4713","0.00005","9.02632","0.00004","17.84198","0.00007","90","","92.8702","0.0004","90","","2005.95","0.014","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp3-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0739","0.0743","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556913","10.10659","0.00011","5.94958","0.00005","13.62038","0.0001","90","","99.5974","0.0008","90","","807.53","0.013","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp3-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0699","0.0705","","","","","","1.046","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556920","7.46638","0.00008","22.8958","0.00019","15.81982","0.00011","90","","91.5281","0.0008","90","","2703.42","0.04","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N2 O11.5 -","- C26 H37 N2 O11.5 -","- C104 H148 N8 O46 -","4","2","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from Uncaria rhynchophylla.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0495","0.0458","","","0.1193","0.1217","","","","","","1.044","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556923","12.69983","0.00002","8.73522","0.00002","17.77957","0.00003","90","","98.7531","0.0002","90","","1949.42","0.006","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H48 N2 O19 -","- C32 H48 N2 O19 -","- C64 H96 N4 O38 -","2","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from Uncaria rhynchophylla.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0468","0.0454","","","0.1008","0.1021","","","","","","1.063","","","","has coordinates,has disorder","246510","2020-10-21","18:00:00",""
"1556924","12.01025","0.00011","9.55452","0.00011","13.71388","0.00012","90","","92.4358","0.0008","90","","1572.28","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O9 -","- C26 H32 N2 O9 -","- C52 H64 N4 O18 -","2","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from Uncaria rhynchophylla.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.1","0.1013","","","","","","1.043","","","","has coordinates","246511","2020-10-21","18:00:00",""
"1556925","18.6115","0.0015","8.4248","0.0004","21.2254","0.0016","90","","109.341","0.009","90","","3140.3","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N2 O10.5 -","- C27 H35 N2 O10.5 -","- C108 H140 N8 O42 -","4","2","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from Uncaria rhynchophylla.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.1175","0.0858","","","0.2291","0.257","","","","","","0.937","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556926","17.4386","0.0003","6.02603","0.00008","18.7078","0.0003","90","","94.6535","0.0016","90","","1959.44","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O13 -","- C32 H40 N2 O13 -","- C64 H80 N4 O26 -","2","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from Uncaria rhynchophylla.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.1237","0.0961","","","0.2576","0.2942","","","","","","1.033","","","","has coordinates,has disorder","246513","2020-10-21","18:00:00",""
"1556936","6.5464","0.0002","17.3658","0.0006","21.0198","0.0007","90","","96.37","0.001","90","","2374.85","0.14","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H25 B F5 N O P S -","- C21 H25 B F5 N O P S -","- C84 H100 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0442","0.0373","","","0.0869","0.0912","","","","","","1.036","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556937","7.2656","0.0003","9.5413","0.0003","13.0878","0.0004","90","","100.119","0.003","90","","893.18","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.0856","0.0766","","","0.2045","0.2144","","","","","","1.04","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556938","17.1138","0.0014","6.6266","0.0005","20.6037","0.0016","90","","93.452","0.003","90","","2332.4","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H26 B F5 N O P S -","- C21 H26 B F5 N O P S -","- C84 H104 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0965","0.0714","","","0.1665","0.18","","","","","","1.081","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556949","10.0587","0.0002","14.8851","0.0004","14.1568","0.0004","90","","90.284","0.002","90","","2119.6","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H60 O8 Ti -","- C44 H60 O8 Ti -","- C88 H120 O16 Ti2 -","2","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0768","0.0545","","","0.0971","0.1122","","","","","","0.987","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1557022","10.066","0.0013","8.4068","0.0011","10.9787","0.0014","90","","104.155","0.004","90","","900.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H18 Br5 N3 Pb S2 -","- C4 H14 Br5 N3 Pb S2 -","- C8 H28 Br10 N6 Pb2 S4 -","2","1","","Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan","Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11033","","","0.71073","MoKα","","0.0717","0.0696","","","0.2101","0.2163","","","","","","1.098","","","","has coordinates","246789","2020-10-21","18:00:00",""
"1557028","17.765","0.006","20.654","0.007","20.031","0.008","90","","93.018","0.014","90","","7340","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H26 Al2 Ca F68 O7 -","- C52 H26 Al2 Ca F68 O7 -","- C208 H104 Al8 Ca4 F272 O28 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.1221","0.0863","","","0.2002","0.219","","","","","","1.058","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557049","8.6404","0.0002","24.6286","0.0005","9.367","0.0002","90","","115.175","0.001","90","","1803.97","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H32 N2 O4 -","- C15 H32 N2 O4 -","- C60 H128 N8 O16 -","4","2","","Gorbitz, Carl Henrik","Solvent Site Preferences in the Crystal Structures of L-Leucyl-L-leucine Alcohol (1:1) Complexes","Acta Chemica Scandinavica","1998","52","","1343","1352","10.3891/acta.chem.scand.52-1343","","","0.71073","MoKα","","0.0842","0.0715","","0.1591","0.1512","","","","1.176","1.198","1.198","","","","","has coordinates,has disorder","246868","2020-10-21","18:00:00",""
"1557050","8.7343","0.0002","23.998","0.0005","9.448","0.0002","90","","115.267","0.001","90","","1790.89","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H32 N2 O4 -","- C15 H32 N2 O4 -","- C60 H128 N8 O16 -","4","2","","Gorbitz, Carl Henrik","Solvent Site Preferences in the Crystal Structures of L-Leucyl-L-leucine Alcohol (1:1) Complexes","Acta Chemica Scandinavica","1998","52","","1343","1352","10.3891/acta.chem.scand.52-1343","","","0.71073","MoKα","","0.12","0.0626","","0.1702","0.1418","","","","0.977","1.102","1.102","","","","","has coordinates","246869","2020-10-21","18:00:00",""
"1557051","8.6634","0.0002","24.0971","0.0006","9.3265","0.0002","90","","115.379","0.0004","90","","1759.12","0.07","150","2","150","2","","","","","","","SIGMA","4","P 1 21 1","P 2yb","4","","L-leucyl-L-leucine ethanol solvate","","- C14 H30 N2 O4 -","- C14 H30 N2 O4 -","- C56 H120 N8 O16 -","4","2","","Gorbitz, Carl Henrik","Solvent Site Preferences in the Crystal Structures of L-Leucyl-L-leucine Alcohol (1:1) Complexes","Acta Chemica Scandinavica","1998","52","","1343","1352","10.3891/acta.chem.scand.52-1343","","","0.71073","MoKα","","0.1624","0.0783","","0.1447","0.1165","","","","1.062","1.163","1.163","","","","","has coordinates,has disorder","246870","2020-10-21","18:00:00",""
"1557059","9.7105","0.0003","14.3281","0.0004","11.2851","0.0003","90","","96.031","0.003","90","","1561.44","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C54 H84 B2 Cl4 F8 N4 P4 Rh2 -","2","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.7107","MoKα","","0.0533","0.0514","","","0.1669","0.1682","","","","","","1.443","","","","has coordinates","257223","2020-10-21","18:00:00",""
"1557079","12.77764","0.00017","5.95718","0.00005","12.86001","0.00011","90","","100.546","0.001","90","","962.352","0.018","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0737","0.0741","","","","","","1.044","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557104","10.964","0.002","12.735","0.003","12.329","0.002","90","","95.26","0.03","90","","1714.2","0.6","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 Ni O2 -","- C20 N2 Ni O2 -","- C80 N8 Ni4 O8 -","4","2","","Wojtczak, A.; Szlyk, E.; Jaskolski, M.; Larsen, E.","An Optically Active Nickel(II) Schiff Base Coordination Compound N,N'-(1R,2R)-(-)-1,2-Cyclohexylenebis(salicylideneiminato)nickel(II)","Acta Chemica Scandinavica","1997","51","","274","278","10.3891/acta.chem.scand.51-0274","","x-ray","0.71069","MoKα","","0.0453","0.0351","","","0.0357","0.0404","","","","","","3.24","","","","has coordinates","247088","2020-10-21","18:00:00",""
"1557126","11.2987","0.0006","10.6941","0.0006","11.9582","0.0007","90","","90.723","0.001","90","","1444.79","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0334","0.0312","","","0.0772","0.0787","","","","","","1.039","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557128","10.1038","0.0007","12.0566","0.0009","10.4153","0.0007","90","","97.827","0.002","90","","1256.95","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C54 H58 N2 O16 -","2","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0651","0.0431","","","0.0848","0.0916","","","","","","1.059","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557129","7.091","0.0004","16.2621","0.0009","13.2704","0.0007","90","","92.494","0.002","90","","1528.82","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","1.54178","CuKα","","0.028","0.0275","","","0.0705","0.0709","","","","","","1.042","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557138","8.4484","0.0002","22.6578","0.0004","17.8169","0.0003","90","","90.006","0.001","90","","3410.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C152 H240 O24 -","8","4","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus Xylaria longipes HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0324","0.0322","","","0.0876","0.0882","","","","","","1.055","","","","has coordinates","247156","2020-10-21","18:00:00",""
"1557141","13.949","0.003","15.719","0.003","15.272","0.003","90","","107.438","0.013","90","","3194.7","1.1","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H50 N2 O4 -","- C68 H50 N2 O4 -","- C136 H100 N4 O8 -","2","1","","Chen, Michelle; Powers-Riggs, Natalia E.; Coleman, Adam F.; Young, Ryan M.; Wasielewski, Michael R.","Singlet Fission in Quaterrylenediimide Thin Films","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10397","","","1.54178","CuKα","","0.1661","0.1205","","","0.3002","0.3549","","","","","","1.052","","","","has coordinates","247170","2020-10-21","18:00:00",""
"1557151","8.0047","0.0008","11.865","0.002","28.065","0.005","90","","91.41","0.011","90","","2664.7","0.7","","","112","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O10 -","- C28 N O10 -","- C112 N4 O40 -","4","2","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer","Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the Crystal Structures of Two Polymorphic Modifications of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer","Acta Chemica Scandinavica","1997","51","","367","378","10.3891/acta.chem.scand.51-0367","","x-ray","1.54184","CuKα","","","0.0503","","","","0.1608","","","","","","1.218","","","","has coordinates","247250","2020-10-21","18:00:00",""
"1557156","11.0509","0.0002","9.6943","0.00018","14.8668","0.0003","90","","108.131","0.002","90","","1513.61","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O2 Ti -","- C30 H44 Cl2 O2 Ti -","- C60 H88 Cl4 O4 Ti2 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0297","0.0293","","","0.0762","0.0765","","","","","","1.067","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557170","5.933","0.0005","13.4485","0.0011","12.3282","0.001","90","","96.291","0.001","90","","977.74","0.14","123","2","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl O6 -","- C22 H21 Cl O6 -","- C44 H42 Cl2 O12 -","2","1","","Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté","Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of Monanthotaxis trichocarpa.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00363","","","0.71073","MoKα","","0.0483","0.0385","","","0.0808","0.0855","","","","","","1.045","","","","has coordinates,has disorder","247318","2020-10-21","18:00:00",""
"1557188","8.7529","0.0005","5.1376","0.0003","14.4614","0.0008","90","","104.921","0.006","90","","628.39","0.06","106.8","","106.8","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei","Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00217","","","1.5418","CuKα","","0.0326","0.0321","","","0.0862","0.0868","","","","","","1.057","","","","has coordinates","247356","2020-10-21","18:00:00",""
"1557201","5.996","0.0001","12.4304","0.0001","14.2341","0.0002","90","","94.361","0.001","90","","1057.83","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C46 H56 O16 -","2","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0991","0.0971","","","0.2491","0.2545","","","","","","1.099","","","","has coordinates","247416","2020-10-21","18:00:00",""
"1557236","14.8546","0.0012","12.2517","0.0009","20.5946","0.0016","90","","99.848","0.003","90","","3692.9","0.5","193","2","193","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C132 H192 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","2","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0197","0.0192","","","0.0475","0.0478","","","","","","1.053","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557262","6.512","0.0002","15.336","0.0003","8.7541","0.0002","90","","111.502","0.003","90","","813.41","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 F O2 -","- C21 H21 F O2 -","- C42 H42 F2 O4 -","2","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0283","0.0283","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557264","8.8341","0.0004","24.3932","0.0009","11.6111","0.0005","90","","108.086","0.002","90","","2378.47","0.17","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","","- C14 H27 F6 N O11 S2 -","- C14 H27 F6 N O11 S2 -","- C56 H108 F24 N4 O44 S8 -","4","2","IS4042","Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","IUCrData","2020","5","2","x200162","","10.1107/S2414314620001625","","","0.71073","MoKα","","0.064","0.0624","","","0.161","0.162","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","247947","2020-10-21","18:00:00",""
"1557271","13.959","0.001","25.347","0.002","18.606","0.002","90","","109.574","0.002","90","","6202.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H154 N18 O27 -","- C108 H154 N18 O27 -","- C216 H308 N36 O54 -","2","1","","Zhou, Bin; Shetye, Gauri; Yu, Yang; Santarsiero, Bernard D.; Klein, Larry L.; Abad-Zapatero, Cele; Wolf, Nina M.; Cheng, Jinhua; Jin, Yingyu; Lee, Hanki; Suh, Joo-Won; Lee, Hyun; Bisson, Jonathan; McAlpine, James B.; Chen, Shao-Nong; Cho, Sang-Hyun; Franzblau, Scott G.; Pauli, Guido F.","Antimycobacterial Rufomycin Analogues from Streptomyces atratus Strain MJM3502.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01095","","","0.68877","synchrotron","","0.1246","0.1163","","","0.3449","0.3632","","","","","","1.634","","","","has coordinates,has disorder","247985","2020-10-21","18:00:00",""
"1557287","9.0919","0.0005","9.9836","0.0005","11.7719","0.0005","90","","95.822","0.005","90","","1063.02","0.09","296.6","0.3","296.6","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0573","0.0549","","","0.1433","0.1472","","","","","","1.042","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557297","11.2231","0.0013","8.1552","0.0009","11.9835","0.0014","90","","115.45","0.005","90","","990.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C46 H38 N6 O10 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.","Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.","Organic & biomolecular chemistry","2020","18","9","1794","1799","10.1039/d0ob00007h","","","1.54178","CuKα","","0.0421","0.0368","","","0.0889","0.0954","","","","","","1.071","","","","has coordinates","257911","2020-10-21","18:00:00",""
"1557304","4.1658","0.0002","10.4706","0.0006","12.7624","0.0007","90","","95.958","0.002","90","","553.67","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","BV4026","Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","IUCrData","2020","5","2","x200171","","10.1107/S2414314620001716","","","0.71073","MoKα","","0.0492","0.0409","","","0.0949","0.1002","","","","","","1.06","","","","has coordinates,has Fobs","248072","2020-10-21","18:00:00",""
"1557306","5.5457","0.0006","9.1108","0.001","43.511","0.006","90","","90.376","0.005","90","","2198.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Octadecylsulfanyl)-1,3-thiazole","","- C21 H39 N S2 -","- C21 H39 N S2 -","- C84 H156 N4 S8 -","4","2","BV4027","Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2-(Octadecylsulfanyl)-1,3-thiazole","IUCrData","2020","5","2","x200170","","10.1107/S2414314620001704","","","1.54178","CuKα","","0.1015","0.0967","","","0.2546","0.263","","","","","","1.048","","","","has coordinates,has Fobs","248074","2020-10-21","18:00:00",""
"1557320","9.6598","0.0004","7.4249","0.0003","11.2457","0.0006","90","","109.745","0.005","90","","759.15","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Nitro-2,3-bis(thien-2-yl)quinoxaline","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C32 H18 N6 O4 S4 -","2","1","FF4033","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200196","","10.1107/S2414314620001960","","","0.71073","MoKα","","0.0777","0.0377","","","0.0696","0.0764","","","","","","0.807","","","","has coordinates","248211","2020-10-21","18:00:00",""
"1557328","6.9821","0.0002","8.6527","0.0003","11.9259","0.0003","90","","105.761","0.001","90","","693.4","0.04","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony","Total Synthesis of (+)-Oxo-tomaymycin","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00009","","","0.71073","MoKα","","0.0372","0.0349","","","0.1016","0.1044","","","","","","1.061","","","","has coordinates","248246","2020-10-21","18:00:00",""
"1557342","6.5602","0.0004","14.7939","0.0009","14.8216","0.0009","90","","91.727","0.005","90","","1437.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H14 O -","- C22 H14 O -","- C88 H56 O4 -","4","2","","Huang, Yue-E; Wang, Xing-Zhi; Hu, Peng; Qi, Xing-Hui; Huang, Xiao-Ying; Kloc, Christian; Wu, Xiaohui; Du, Ke-Zhao","Single-photon upconversion in 6-pentaceneone crystal from bulk to ultrathin flakes.","Nanoscale","2020","12","11","6227","6232","10.1039/d0nr00306a","","","0.71073","MoKα","","0.1125","0.0588","","","0.1493","0.1827","","","","","","1.034","","","","has coordinates","250330","2020-10-21","18:00:00",""
"1557375","9.8562","0.0002","7.7464","0.0002","10.34","0.0002","90","","91.055","0.001","90","","789.33","0.03","173","2","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C34 H52 O10 -","2","1","","Fu, Yifan; Ding, Xiaoyu; Zhang, Xianglei; Shao, Xingcheng; Zhao, Jihui; Xu, Yechun; Luo, Xiaomin; Zhao, Weimin","Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01269","","","1.54178","CuKα","","0.0316","0.0299","","","0.076","0.0779","","","","","","1.058","","","","has coordinates","248463","2020-10-21","18:00:00",""
"1557394","6.2309","0.0007","7.4169","0.0008","13.0054","0.0015","90","","90.1686","0.0018","90","","601.03","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","","Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo","Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes","Chemical Science","2020","11","12","3146","3151","10.1039/D0SC00467G","","","0.71073","MoKα","","0.0424","0.0364","","","0.0709","0.0725","","","","","","1","","","","has coordinates","257410","2020-10-21","18:00:00",""
"1557424","10.4391","0.001","11.8365","0.0008","10.5951","0.001","90","","116.601","0.012","90","","1170.6","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H33 Cl F N O10 -","- C19 H33 Cl F N O10 -","- C38 H66 Cl2 F2 N2 O20 -","2","1","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.0736","0.0681","","","0.206","0.2098","","","","","","1.081","","","","has coordinates","248619","2020-10-21","18:00:00",""
"1557448","9.423","0.007","10.032","0.006","11.391","0.007","90","","104.61","0.02","90","","1042","1.2","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H26 -","- C26 H26 -","- C52 H52 -","2","1","","Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu","Copper-catalyzed enantioselective arylalkynylation of alkenes.","Chemical science","2020","11","6","1623","1628","10.1039/c9sc04029c","","","0.71073","MoKα","","0.1028","0.0628","","","0.1624","0.1939","","","","","","1.046","","","","has coordinates,has disorder","250233","2020-10-21","18:00:00",""
"1557521","9.682","0.002","5.247","0.001","11.93","0.002","90","","90.57","0.01","90","","606","0.2","","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valine","","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Dalhus, Bjorn; Gorbitz, Carl Henrik","Crystal Structures of Hydrophobic Amino Acids. I. Redeterminations of L-Methionine and L-Valine at 120 K","Acta Chemica Scandinavica","1996","50","","544","548","10.3891/acta.chem.scand.50-0544","","x-ray","0.71069","MoKα","","","0.034","","","0.038","","","","","","","2.17","","","","has coordinates","249123","2020-10-21","18:00:00",""
"1557553","10.85","0.002","31.002","0.006","11.243","0.002","90","","96.637","0.003","90","","3756.5","1.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-1,4-bis(4-iodophenyl)cyclohex-2-ene-1,4-diol","","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","1","0.5","","Pavlović, Dražen; Cohen, Shmuel","Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology","Polymer Chemistry","2020","11","14","2550","2558","10.1039/D0PY00001A","","","0.71073","MoKα","","0.0312","0.0302","","","0.0905","0.0911","","","","","","1.093","","","","has coordinates","257944","2020-10-21","18:00:00",""
"1557563","15.523","0.002","9.179","0.002","23.876","0.004","90","","104.74","0.01","90","","3290","1","","","138","","","","","","","","","4","P 1 21 1","P 2yb","4","N-(4,4-Dicyano-3-phenyl-1,3-butadieny1)-N,2,2-trimethyl-propanamide","","","- C18 H19 N3 O -","- C18 N3 O -","- C144 N24 O8 -","8","4","","Kolsaker, Per; Karlsen, Hege; Romming, Christian","Reaction between 2-Phenyl-1,1-dicyanoallyl Anion and N-Methyl-2,2-dimethylpropionitrilium and N1,N2,N2-Trimethyl-2,2-dimethylpropionylamidinium Trifluoromethanesulfonates","Acta Chemica Scandinavica","1996","50","","623","632","10.3891/acta.chem.scand.50-0623","","x-ray","0.71069","MoKα","","","0.043","","","0.043","","","","","","","2.06","","","","has coordinates","249226","2020-10-21","18:00:00",""
"1557572","9.2321","0.0019","18.768","0.004","18.876","0.004","90","","93.72","0.03","90","","3263.7","1.2","190","2","190.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","exo,exo-7-oxa-5-norbornene-2,3-dicarboxylic acid","","- C8 H8 O5 -","- C8 H8 O5 -","- C128 H128 O80 -","16","8","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.1096","0.0584","","","0.1352","0.1632","","","","","","1.023","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557582","7.6364","0.0001","11.6851","0.0002","11.5473","0.0002","90","","104.259","0.002","90","","998.65","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br2 N4 O3 -","- C18 H14 Br2 N4 O3 -","- C36 H28 Br4 N8 O6 -","2","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1042","0.1061","","","","","","1.059","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557591","14.24","0.002","5.3154","0.0011","19.535","0.006","90","","91.93","0.02","90","","1477.8","0.6","","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","(2R,3R)-3-(2-aminophenylthio)-2-hydroxy-3-(4-methoxyphenyl)propionic Acid","","","- C16 H17 N O4 S -","- C16 N O4 S -","- C64 N4 O16 S4 -","4","2","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Fogassy, Elemer","Structural Study of the Solid-State Ring-Closure Reaction of (2R,3R)-3-(2-aminophenylthio)-2-hydroxy-3-(4-methoxyphenyl)propionic Acid","Acta Chemica Scandinavica","1996","50","","899","905","10.3891/acta.chem.scand.50-0899","","x-ray","1.54178","CuKα","","","0.0589","","","","0.1614","","","","","","1.106","","","","has coordinates","249325","2020-10-21","18:00:00",""
"1557631","12.1671","0.0008","5.4176","0.0004","16.7266","0.0011","90","","107.932","0.004","90","","1049","0.13","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O6 -","- C23 H25 Cl O6 -","- C46 H50 Cl2 O12 -","2","1","","Wang, Weiyi; Yang, Jing; Liao, Yan-Yan; Cheng, Gang; Chen, Jing; Cheng, Xiang-Dong; Qin, Jiang-Jiang; Shao, Zongze","Cytotoxic Nitrogenated Azaphilones from the Deep-Sea-Derived Fungus Chaetomium globosum MP4-S01-7","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01165","","","1.54178","CuKα","","0.0757","0.062","","","0.1558","0.1701","","","","","","1.094","","","","has coordinates","249587","2020-10-21","18:00:00",""
"1557640","23.8898","0.0002","6.7617","0.0001","24.8099","0.0002","90","","102.215","0.001","90","","3916.95","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O3 S2 -","- C30 H27 Br O3 S2 -","- C180 H162 Br6 O18 S12 -","6","3","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0385","0.037","","","0.0959","0.0971","","","","","","1.043","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557706","10.0116","0.0008","7.2838","0.0006","13.4741","0.0011","90","","91.07","0.003","90","","982.39","0.14","111","2","111","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from Dobinea delavayi.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0327","0.0312","","","0.0811","0.0827","","","","","","1.026","","","","has coordinates,has disorder","251470","2020-10-21","18:00:00",""
"1557707","10.5287","0.0005","7.3127","0.0004","12.9166","0.0006","90","","94.614","0.001","90","","991.27","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","dd_xcj20","","","- C20 H30 O7 -","- C20 H30 O7 -","- C40 H60 O14 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from Dobinea delavayi.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0357","0.0356","","","0.0918","0.0919","","","","","","1.05","","","","has coordinates","251470","2020-10-21","18:00:00",""
"1557730","14.3592","0.0005","7.0144","0.0003","15.9545","0.0007","90","","94.836","0.003","90","","1601.24","0.11","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","2","","Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.","Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00041","","x-ray","1.54184","CuKα","","0.064","0.0544","","","0.1389","0.1473","","","","","","1.093","","","","has coordinates","250014","2020-10-21","18:00:00",""
"1557753","5.3009","0.0008","8.625","0.0012","10.6976","0.0014","90","","91.146","0.005","90","","489","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","","- C6 H6 F8 O4 -","- C6 H6 F8 O4 -","- C12 H12 F16 O8 -","2","1","LH4054","Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M.","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","IUCrData","2020","5","4","x200445","","10.1107/S2414314620004459","","","0.71073","MoKα","","0.0389","0.0379","","","0.0982","0.0998","","","","","","1.001","","","","has coordinates,has Fobs","250496","2020-10-21","18:00:00",""
"1557754","7.5831","0.0009","12.5698","0.0014","15.835","0.002","90","","101.98","0.009","90","","1476.5","0.3","","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-3-(2'-HYDROXY-2'-PHENYLETHYL)-2-THIAZOLIDINIMINIUM (2R,3R)-O,O'-DIBENZOYL HYDROGEN TARTRATE)","","","- C30 H32 N2 O10 S -","- C30 N2 O10 S -","- C60 N4 O20 S2 -","2","1","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer","The Optical Resolution of 3-(2'-Hydroxy-2'-phenylethyl)-2-thiazolidinimine and the Crystal Structure of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer","Acta Chemica Scandinavica","1995","49","","20","27","10.3891/acta.chem.scand.49-0020","","x-ray","1.54184","CuKα","","","0.0255","","","","0.071","","","","","","1.038","","","","has coordinates","250500","2020-10-21","18:00:00",""
"1557762","8.40488","0.00013","18.0272","0.0003","11.0843","0.00015","90","","91.4773","0.0013","90","","1678.9","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H21 B F20 N2 -","- C35 H21 B F20 N2 -","- C70 H42 B2 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.0772","0.0774","","","","","","1.065","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557771","14.2257","0.0003","50.2552","0.0009","19.5481","0.0004","90","","91.9145","0.0007","90","","13967.4","0.5","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C94 H100 Cl12 N12 O3 Pd6 -","- C94 H100 Cl12 N12 O3 Pd6 -","- C376 H400 Cl48 N48 O12 Pd24 -","4","2","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.1503","0.087","","","0.232","0.2749","","","","","","1.021","","","","has coordinates","261708","2021-02-04","23:22:13",""
"1557773","14.1814","0.0003","52.5455","0.001","19.8435","0.0004","90","","91.1321","0.0007","90","","14783.9","0.5","95","","95","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86.9 H86.8 Cl12 N12 O10.13 Pd6 -","- C86.903 H86.8035 Cl12 N12 O10.133 Pd6 -","- C347.612 H347.214 Cl48 N48 O40.532 Pd24 -","4","2","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.0935","0.0698","","","0.2015","0.2227","","","","","","1.004","","","","has coordinates,has disorder","261708","2021-02-04","23:22:13",""
"1557774","14.338","0.0003","52.953","0.001","19.7623","0.0004","90","","90.789","0.001","90","","15002.9","0.5","98","","98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6 -","- C98.408 H97.658 Cl12.551 N14.25 O2.949 Pd6 -","- C393.632 H390.632 Cl50.204 N57 O11.796 Pd24 -","4","2","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.1188","0.0787","","","0.2253","0.2658","","","","","","0.998","","","","has coordinates,has disorder","261708","2021-02-04","23:22:13",""
"1557799","8.07861","0.00016","10.5922","0.0002","8.39036","0.00016","90","","97.3584","0.0019","90","","712.05","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O7 -","- C15 H16 O7 -","- C30 H32 O14 -","2","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0304","0.0296","","","0.0742","0.0755","","","","","","1.116","","","","has coordinates","250805","2020-10-21","18:00:00",""
"1557800","10.25093","0.00013","14.51735","0.00019","12.5428","0.00019","90","","102.897","0.0014","90","","1819.49","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H38 O19 -","- C39 H38 O19 -","- C78 H76 O38 -","2","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0355","0.0333","","","0.0845","0.087","","","","","","1.064","","","","has coordinates","250807","2020-10-21","18:00:00",""
"1557801","8.8976","0.0002","13.2445","0.0004","11.7818","0.0003","90","","90.183","0.002","90","","1388.41","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H19 O6.5 -","- C15 H19 O6.5 -","- C60 H76 O26 -","4","2","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0968","0.0943","","","0.2274","0.2289","","","","","","1.144","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557803","4.9863","0.0001","11.0727","0.0003","24.1254","0.0007","90","","95.681","0.002","90","","1325.46","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","2","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","1.54184","CuKα","","0.0266","0.0249","","","0.0566","0.058","","","","","","1.06","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557808","8.4442","0.0012","7.7559","0.0011","10.4879","0.0013","90","","108.302","0.007","90","","652.13","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-m-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0613","0.0421","","","0.0868","0.0955","","","","","","1.066","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557822","11.2781","0.0002","9.82934","0.00016","11.8906","0.0002","90","","102.641","0.0017","90","","1286.2","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C56 H76 O18 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0469","0.0418","","","0.1017","0.1038","","","","","","1.065","","","","has coordinates","250944","2020-10-21","18:00:00",""
"1557824","10.3686","0.0003","6.6338","0.0002","13.6339","0.0004","90","","103.943","0.003","90","","910.15","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C40 H52 O20 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0521","0.0471","","","0.114","0.1179","","","","","","1.042","","","","has coordinates","250946","2020-10-21","18:00:00",""
"1557825","8.3215","0.0001","10.2604","0.0001","14.326","0.0001","90","","99.725","0.001","90","","1205.6","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H33 O8 -","- C27 H32.772 O8 -","- C54 H65.544 O16 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","x-ray","1.54178","CuKα","","0.0362","0.0361","","","0.0981","0.0983","","","","","","1.067","","","","has coordinates,has disorder","250947","2020-10-21","18:00:00",""
"1557855","6.6612","0.0004","11.0697","0.0006","9.6314","0.0005","90","","103.76","0.001","90","","689.81","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes Irpex lacteus.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","","","0.0303","0.0301","","","0.0773","0.0776","","","","","","1.047","","","","has coordinates","251049","2020-10-21","18:00:00",""
"1557856","7.2833","0.0004","11.5034","0.0006","9.4902","0.0005","90","","101.578","0.001","90","","778.94","0.07","151","2","151","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O6 -","- C16 H24 O6 -","- C32 H48 O12 -","2","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes Irpex lacteus.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0245","0.0245","","","0.0623","0.0623","","","","","","1.022","","","","has coordinates","251050","2020-10-21","18:00:00",""
"1557858","3.8397","0.0008","7.7446","0.0015","13.585","0.003","90","","93.79","0.03","90","","403.09","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","","0.71073","MoKα","","0.0547","0.0332","","","0.0697","0.0794","","","","","","1.086","","","","has coordinates","251053","2020-10-21","18:00:00",""
"1557884","9.53453","0.00007","5.13144","0.00004","18.92992","0.00013","90","","95.899","0.0007","90","","921.258","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O8 -","- C19 H21 Cl O8 -","- C38 H42 Cl2 O16 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0234","0.0233","","","0.0624","0.0625","","","","","","1.037","","","","has coordinates","251099","2020-10-21","18:00:00",""
"1557886","6.6956","0.0002","11.5295","0.0003","11.5446","0.0003","90","","90.49","0.001","90","","891.17","0.04","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl O6 -","- C18 H21 Cl O6 -","- C36 H42 Cl2 O12 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0533","0.0395","","","0.0934","0.1211","","","","","","1.177","","","","has coordinates","251101","2020-10-21","18:00:00",""
"1557887","5.3318","0.0016","22.504","0.006","15.235","0.004","90","","94.614","0.017","90","","1822.1","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O8.5 -","- C18 H22 O8.5 -","- C72 H88 O34 -","4","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.1925","0.1078","","","0.2324","0.2825","","","","","","1.022","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1557889","8.9035","0.0004","9.1206","0.0004","11.7648","0.0005","90","","110.431","0.002","90","","895.26","0.07","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl O7 -","- C18 H21 Cl O7 -","- C36 H42 Cl2 O14 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0327","0.031","","","0.0831","0.0935","","","","","","1.117","","","","has coordinates","251104","2020-10-21","18:00:00",""
"1557897","6.184","0.002","8.932","0.001","6.566","0.001","90","","94.09","0.02","90","","361.75","0.14","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","3-deoxy-2-C-hydroxymethyl-D,L-tetrono-1,4-lactone","","","- C6 H10 O5 -","- C6 H10 O5 -","- C12 H20 O10 -","2","1","","Alen, Raimo; Valkonen, Jussi","The Crystal and Molecular Structures of Five-Carbon and Six-Carbon Isosaccharino-1,4-lactones from Alkaline Pulping","Acta Chemica Scandinavica","1995","49","","536","539","10.3891/acta.chem.scand.49-0536","","x-ray","0.71073","MoKα","","","0.03","","","0.03","","","","","","","0.296","","","","has coordinates","251127","2020-10-21","18:00:00",""
"1557919","11.505","0.004","8.186","0.004","11.185","0.006","90","","105.87","0.03","90","","1013.3","0.8","","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane","","","- C14 H33 Cl3 N4 O2 Zn -","- C14 Cl3 N4 O Ow Zn -","- C28 Cl6 N8 O2 Ow2 Zn2 -","2","1","","Springborg, Johan; Olsen, Carl Erik; Sotofte, Inger","An Inert Proton Coordinated Inside a Nearly Tetrahedral Tetraamine Cavity. Synthesis and X-Ray Crystal Structure of the Aquatrichlorozincate(II) Salt of the Inside Monoprotonated Amine 1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane","Acta Chemica Scandinavica","1995","49","","555","563","10.3891/acta.chem.scand.49-0555","","x-ray","0.71073","MoKα","","","0.0448","","","","0.1032","","","","","","1.02","","","","has coordinates","251187","2020-10-21","18:00:00",""
"1557921","12.6264","0.0001","21.0187","0.0002","15.1875","0.0001","90","","104.475","0.001","90","","3902.67","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H86 N12 O16 -","- C70 H86 N12 O16 -","- C140 H172 N24 O32 -","2","1","","Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying","Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00194","","","1.54184","CuKα","","0.0638","0.0511","","","0.1415","0.1478","","","","","","1.063","","","","has coordinates","251191","2020-10-21","18:00:00",""
"1557922","12.5668","0.0002","20.9262","0.0003","15.2207","0.0002","90","","103.722","0.002","90","","3888.43","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H88 N12 O16 -","- C72 H88.0031 N12 O16 -","- C144 H176.006 N24 O32 -","2","1","","Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying","Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00194","","x-ray","1.54184","CuKα","","0.0526","0.0452","","","0.1209","0.1262","","","","","","1.04","","","","has coordinates,has disorder","251192","2020-10-21","18:00:00",""
"1557938","6.2397","0.0005","10.6635","0.001","12.6809","0.0011","90","","93.931","0.005","90","","841.76","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O3 S2 -","- C17 H19 N3 O3 S2 -","- C34 H38 N6 O6 S4 -","2","1","","Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming","Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00046","","","1.54184","CuKα","","0.0623","0.0592","","","0.1538","0.1568","","","","","","1.062","","","","has coordinates","251239","2020-10-21","18:00:00",""
"1557951","4.7673","0.0011","9.5601","0.0019","31.386","0.006","90","","92.31","0.02","90","","1429.3","0.5","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H19 O6 -","- C60 H76 O24 -","4","2","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.1156","0.0882","","","0.2019","0.2243","","","","","","1.056","","","","has coordinates,has disorder","252933","2020-10-21","18:00:00",""
"1557952","8.92283","0.00014","4.60123","0.00007","17.4539","0.0003","90","","92.9088","0.0015","90","","715.66","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C28 H40 O16 -","2","1","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.066","0.0665","","","","","","1.064","","","","has coordinates","252933","2020-10-21","18:00:00",""
"1557969","10.2268","0.0004","19.0435","0.0007","10.7658","0.0005","90","","102.453","0.004","90","","2047.36","0.15","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 Li2 N2 O4 -","- C44 H59.145 Li2 N2 O4 -","- C88 H118.29 Li4 N4 O8 -","2","1","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.108","0.0987","","","0.2735","0.2948","","","","","","1.225","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557972","9.8666","0.0013","9.9949","0.0009","11.3565","0.0017","90","","114.722","0.018","90","","1017.3","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C52 H38 N2 O2 S2 -","2","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1435","0.0593","","","0.106","0.147","","","","","","1.026","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1558005","15.7937","0.0003","7.4944","0.0001","20.8812","0.0002","90","","97.436","0.0013","90","","2450.8","0.06","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","2","","Kanno, Yuichiro; Kusakabe, Taichi; Saito, Nao; Kikkawa, Shoko; Takahashi, Keisuke; Azumaya, Isao; Nemoto, Kiyomitsu; Kato, Keisuke","Improved Synthesis and Determination of the Biologically Active Diastereomer of YK11","Molbank","2020","2020","2","M1125","","10.3390/M1125","","","1.54187","CuKα","","0.041","0.0408","","","0.1132","0.1136","","","","","","1.056","","","","has coordinates","251752","2020-10-21","18:00:00",""
"1558092","10.6734","0.0007","13.492","0.0009","10.8926","0.0008","90","","106.158","0.002","90","","1506.63","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F6 N2 S2 -","- C33 H28 F6 N2 S2 -","- C66 H56 F12 N4 S4 -","2","1","","Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan","Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination","Chemical Science","2020","11","23","5987","5993","10.1039/D0SC00001A","","x-ray","0.71073","MoKα","","0.0307","0.0276","","","0.0664","0.0679","","","","","","1.06","","","","has coordinates","257396","2020-10-21","18:00:00",""
"1558133","6.703","0.0005","8.4049","0.0006","17.5344","0.0014","90","","98.188","0.003","90","","977.78","0.13","230","2","230","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N0 O5 S -","- C20 H26 O5 S -","- C40 H52 O10 S2 -","2","1","","Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang","Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation","Organic Letters","2020","","","","","10.1021/acs.orglett.0c01610","","","0.71073","MoKα","","0.0466","0.041","","","0.1159","0.1218","","","","","","1.002","","","","has coordinates","252449","2020-10-21","18:00:00",""
"1558153","5.9143","0.0001","12.5172","0.0003","14.5829","0.0003","90","","97.421","0.002","90","","1070.54","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0532","0.0523","","","0.1408","0.1417","","","","","","1.05","","","","has coordinates","257286","2020-10-21","18:00:00",""
"1558274","8.0721","0.0002","15.6353","0.0005","16.4422","0.0005","90","","98.2832","0.0014","90","","2053.52","0.1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 B F4 N2 O2.5 -","- C21 H28 B F4 N2 O2.5 -","- C84 H112 B4 F16 N8 O10 -","4","2","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0459","0.0424","","","0.0996","0.105","","","","","","1.068","","","","has coordinates,has disorder","253052","2020-10-21","18:00:00",""
"1558289","10.9785","0.0001","7.5525","0.0001","11.4085","0.0001","90","","99.327","0.001","90","","933.431","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from Alternaria brassicicola.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.0324","0.0321","","","0.0858","0.086","","","","","","1.097","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558315","6.241","0.005","5.293","0.004","15.726","0.009","90","","101.19","0.02","90","","509.6","0.6","293","2","293.63","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","","Singh, Pijush; Misra, Souvik; Sepay, Nayim; Mondal, Sanjoy; Ray, Debes; Aswal, Vinod K.; Nanda, Jayanta","Self-assembling behaviour of a modified aromatic amino acid in competitive medium.","Soft matter","2020","16","28","6599","6607","10.1039/d0sm00584c","","","0.71073","MoKα","","0.0794","0.0772","","","0.1973","0.201","","","","","","1.071","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558317","6.12766","0.00015","20.247","0.0005","10.0261","0.0002","90","","94.623","0.002","90","","1239.86","0.05","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 F8 N4 O5 S -","- C20 H20 F8 N4 O5 S -","- C40 H40 F16 N8 O10 S2 -","2","1","","Zhang, Chen; Ye, Fei; Wang, Jianmin; He, Ping; Lei, Ming; Huang, Longbin; Huang, Anbang; Tang, Pingming; Lin, Hongjun; Liao, Yuting; Liang, Yong; Ni, Jia; Yan, Pangke","Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00374","","","1.5418","CuKα","","0.0377","0.0364","","","0.0942","0.0959","","","","","","1.036","","","","has coordinates","253154","2020-10-21","18:00:00",""
"1558318","18.754","0.0002","9.0751","0.0001","26.1928","0.0003","90","","102.75","0.001","90","","4347.95","0.08","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C176 H216 N8 O56 -","8","4","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0599","0.0563","","","0.1695","0.1765","","","","","","1.027","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558331","10.90373","0.00013","9.73486","0.00011","14.2878","0.0002","90","","102.003","0.0013","90","","1483.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 -","- C31 H48 O6 -","- C62 H96 O12 -","2","1","","Xie, Shuangshuang; Tan, Xiaosheng; Liu, Yaping; Duan, Yulin; Chen, Gang; Feng, Hao; Sun, Lingjuan; Huang, Yingying; Guo, Yi; Shi, Zhengyi; Zhou, Yuan; Qi, Changxing; Zhang, Yonghui","Hypersonins A-D, Polycyclic Polyprenylated Acylphloroglucinols with a 1,2-seco-Homoadamantane Architecture from Hypericum wilsonii.","Journal of natural products","2020","83","6","1804","1809","10.1021/acs.jnatprod.9b01187","","x-ray","1.54184","CuKα","","0.0275","0.0274","","","0.0722","0.0723","","","","","","1.046","","","","has coordinates","253730","2020-10-21","18:00:00",""
"1558392","8.1025","0.0001","6.6401","0.0001","11.7134","0.0001","90","","102.405","0.001","90","","615.485","0.013","93.15","","93.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0706","0.0709","","","","","","1.07","","","","has coordinates","257298","2020-10-21","18:00:00",""
"1558393","12.4535","0.0002","6.5482","0.0001","15.9054","0.0003","90","","105.099","0.002","90","","1252.28","0.04","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0434","0.0375","","","0.0924","0.0942","","","","","","1.058","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558398","6.0356","0.0004","10.8751","0.0009","10.5262","0.0007","90","","97.925","0.003","90","","684.32","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Inanaga, Kazato; Wollenburg, Marco; Bachman, Shoshana; Hafeman, Nicholas; Stoltz, Brian M.","Catalytic Enantioselective Synthesis of Carbocyclic and Heterocyclic Spiranes via a Decarboxylative Aldol Cyclization","Chemical Science","2020","","","","","10.1039/D0SC02366C","","","1.54178","CuKα","","0.0292","0.0287","","","0.073","0.0736","","","","","","1.085","","","","has coordinates","253385","2020-10-21","18:00:00",""
"1558402","15.8187","0.0009","32.856","0.002","17.4013","0.0011","90","","93.728","0.002","90","","9025","0.9","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C192 H224 Cl16 I16 Mo12 Na9 O214 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0755","0.0484","","","0.123","0.1423","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558407","15.8501","0.0017","32.821","0.004","17.405","0.002","90","","93.734","0.004","90","","9035.1","1.8","150","2","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C192 H224 Br16 Cl16 Mo12 Na10 O205 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0713","0.0593","","","0.1701","0.1817","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558432","5.666","0.0003","9.3371","0.0007","12.7013","0.0009","90","","93.2","0.003","90","","670.9","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.049","0.0472","","","0.139","0.1404","","","","","","1.173","","","","has coordinates","253489","2020-10-21","18:00:00",""
"1558433","16.8725","0.0006","5.1182","0.0002","17.3866","0.0006","90","","92.854","0.002","90","","1499.59","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17.5 H18 N2 O4 -","- C17.5 H18 N2 O4 -","- C70 H72 N8 O16 -","4","2","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0579","0.0445","","","0.1169","0.1256","","","","","","1.06","","","","has coordinates","253490","2020-10-21","18:00:00",""
"1558436","8.811","0.003","8.873","0.003","10.494","0.004","90","","106.154","0.011","90","","788","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O6 -","- C16 H20 N O6 -","- C32 H40 N2 O12 -","2","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0836","0.0511","","","0.1068","0.1288","","","","","","1.065","","","","has coordinates","253493","2020-10-21","18:00:00",""
"1558439","7.74","0.003","40.09","0.03","11.95","0.007","90","","97.11","0.04","90","","3680","4","","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","Bis[6-amino-1,3-dimethyl-5-(2'-ethyl)phenylazonium Uracil] Tris(thiocyanato-S)-cuprate(I)","","","- C31 H36 Cu N13 O4 S3 -","- C31 Cu N13 O4 S3 -","- C124 Cu4 N52 O16 S12 -","4","2","","Kivekas, Raikko; Ruiz, Jose; Colacio, Enrique","The First Example of a Discrete Thiocyanatocuprate(I) Anion. Crystal Structure of Bis[6-amino-1,3-dimethyl-5-(2'-ethyl)phenylazonium Uracil] Tris(thiocyanato-S)-cuprate(I)","Acta Chemica Scandinavica","1994","48","","382","387","10.3891/acta.chem.scand.48-0382","","x-ray","0.71069","MoKα","","","0.125","","","0.108","","","","","","","3.62","","","","has coordinates","253536","2020-10-21","18:00:00",""
"1558449","12.3816","0.0004","7.604","0.0003","21.7468","0.0007","90","","101.769","0.0012","90","","2004.41","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22.61 H25.48 O7 -","- C22.607 H25.476 O7 -","- C90.428 H101.904 O28 -","4","2","","Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia","Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00313","","","1.54178","CuKα","","0.0356","0.0353","","","0.1006","0.101","","","","","","1.047","","","","has coordinates,has disorder","253577","2020-10-21","18:00:00",""
"1558460","5.90591","0.00005","16.31586","0.00014","19.9754","0.00017","90","","91.6764","0.0007","90","","1924.01","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14.5 O3.25 -","- C11 H14.5 O3.25 -","- C88 H116 O26 -","8","4","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0273","0.0263","","","0.0649","0.0655","","","","","","1.04","","","","has coordinates","253639","2020-10-21","18:00:00",""
"1558462","9.9654","0.0001","9.084","0.0001","10.6678","0.0001","90","","107.529","0.001","90","","920.867","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","2","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.0659","0.0667","","","","","","1.041","","","","has coordinates","253641","2020-10-21","18:00:00",""
"1558467","7.157","0.0002","7.4823","0.0002","11.605","0.0004","90","","90.91","0.003","90","","621.38","0.03","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","0.71073","MoKα","","0.0392","0.0371","","","0.0902","0.0918","","","","","","1.037","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558506","6.34756","0.00013","7.9249","0.0002","13.5609","0.0003","90","","93.6003","0.0019","90","","680.82","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic Aspergillus versicolor.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0386","0.0384","","","0.1027","0.1031","","","","","","1.057","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558510","6.0977","0.0004","8.3134","0.0006","18.1062","0.0012","90","","97.792","0.002","90","","909.38","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 O2 P -","- C22 H21 O2 P -","- C44 H42 O4 P2 -","2","1","","Yang, Zhiping; Gu, Xiaodong; Han, Li-Biao; Wang, Jun (Joelle)","Palladium-catalyzed asymmetric hydrophosphorylation of alkynes: facile access to P-stereogenic phosphinates","Chemical Science","2020","11","28","7451","7455","10.1039/D0SC01049A","","x-ray","0.71073","MoKα","","0.0556","0.0517","","","0.1306","0.1334","","","","","","1.077","","","","has coordinates","257283","2020-10-21","18:00:00",""
"1558523","10.7266","0.0006","10.6192","0.0006","16.318","0.0009","90","","100.492","0.002","90","","1827.67","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H29 O5.5 -","- C19 H28 O5.5 -","- C76 H112 O22 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged ent-Clerodane Diterpenoids from Callicarpa Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0466","0.0461","","","0.1242","0.1248","","","","","","1.037","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558524","8.4232","0.0011","30.675","0.004","8.5481","0.0011","90","","101.44","0.006","90","","2164.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","xpc67","","","- C21 H34 O8 -","- C21 H32 O8 -","- C84 H128 O32 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged ent-Clerodane Diterpenoids from Callicarpa Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.1566","0.1454","","","0.3939","0.4141","","","","","","1.752","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558525","6.6138","0.0003","10.491","0.0005","18.5288","0.0009","90","","99.538","0.002","90","","1267.86","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O9 -","- C26 H36 O9 -","- C52 H72 O18 -","2","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged ent-Clerodane Diterpenoids from Callicarpa Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0346","0.0336","","","0.1034","0.1058","","","","","","0.916","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558552","8.9401","0.0001","10.3433","0.0001","9.3915","0.0001","90","","103.451","0.001","90","","844.611","0.016","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0257","0.0257","","","0.0666","0.0666","","","","","","1.068","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558562","9.74134","0.00005","9.83313","0.00004","14.91737","0.00006","90","","98.2662","0.0004","90","","1414.06","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","","- C16 H14 F N O3 -","- C16 H14 F N O3 -","- C64 H56 F4 N4 O12 -","4","2","WM4133","Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.","(S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","IUCrData","2020","5","7","x200897","","10.1107/S2414314620008974","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0785","0.079","","","","","","1.054","","","","has coordinates,has disorder","254208","2020-10-21","18:00:00",""
"1558564","5.7173","0.0017","7.346","0.003","12.436","0.004","90","","93.07","0.03","90","","521.6","0.3","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","7a-Phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","HB4353","Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.","7a-Phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one","IUCrData","2020","5","7","x200919","","10.1107/S2414314620009190","","x-ray","0.71073","MoKα","","0.0937","0.054","","","0.123","0.1596","","","","","","1.061","","","","has coordinates,has Fobs","254210","2020-10-21","18:00:00",""
"1558566","14.1567","0.0017","6.2892","0.0007","37.652","0.005","90","","95.26","0.004","90","","3338.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H59 Br4 Cl9 O13 -","- C60 H59 Br4 Cl9 O13 -","- C120 H118 Br8 Cl18 O26 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from Calotropis gigantea.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.06","0.0435","","","0.1006","0.1113","","","","","","1.009","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558569","6.3191","0.0002","11.9806","0.0004","12.9208","0.0005","90","","100.742","0.0013","90","","961.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from Calotropis gigantea.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0304","0.0295","","","0.0828","0.0838","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558570","7.6298","0.0004","7.8915","0.0004","16.7699","0.0009","90","","94.598","0.002","90","","1006.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C46 H72 O12 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from Calotropis gigantea.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0357","0.0322","","","0.077","0.0797","","","","","","1.001","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558579","11.7598","0.0012","6.7923","0.0005","19.84","0.002","90","","94.713","0.008","90","","1579.4","0.3","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H14 O6.5 -","- C19 H14 O6.5 -","- C76 H56 O26 -","4","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from Caryopteris aureoglandulosa.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.1371","0.0816","","","0.2089","0.245","","","","","","1.029","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558588","13.4072","0.0006","7.2619","0.0003","14.8167","0.0006","90","","101.307","0.003","90","","1414.58","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O11 -","- C30 H40 O11 -","- C60 H80 O22 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of Melianthus major.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0248","0.0248","","","0.0627","0.0628","","","","","","1.053","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558589","10.146","0.0008","10.4082","0.0009","10.8554","0.0009","90","","110.004","0.002","90","","1077.19","0.16","100","","99.91","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C52 H60 O14 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of Melianthus major.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0293","0.0292","","","0.0794","0.0795","","","","","","1.029","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558603","11.548","0.001","10.799","0.001","12.789","0.001","90","","90.291","0.008","90","","1594.9","0.2","","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","Nalpha-Di-t-Butoxycarbonyl L-Alanine","","","- C13 H23 N O6 -","- C13 H N O6 -","- C52 H4 N4 O24 -","4","2","","Gustafsson, Torbjorn; Gunnarsson, Kerstin","Crystal Structure of Nalpha-Di-t-Butoxycarbonyl L-Alanine","Acta Chemica Scandinavica","1993","47","","33","37","10.3891/acta.chem.scand.47-0033","","x-ray","0.71073","MoKα","","","0.05","","","0.066","","","","","","","1.95","","","","has coordinates","254344","2020-10-21","18:00:00",""
"1558622","11.1233","0.002","11.683","0.0019","17.7141","0.003","90","","96.79","0.01","90","","2285.9","0.7","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","2(C22H36O4).H2O","","","- C22 H37 O4.5 -","- C22 O4.5 -","- C88 O18 -","4","2","","Forsblom, Ingrid; Berg, Jan-Eric; Wahlberg, Inger","Tobacco Chemistry. 75. Two New Cembratrienetriols from Tobacco","Acta Chemica Scandinavica","1993","47","","80","88","10.3891/acta.chem.scand.47-0080","","x-ray","1.54184","CuKα","","","0.063","","","0.07","","","","","","","","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1558626","4.5997","0.0003","56.635","0.004","5.5074","0.0004","90","","99.223","0.004","90","","1416.15","0.17","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O2 -","- C29 H53 N O2 -","- C58 H106 N2 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1647","0.0894","","","0.2105","0.2497","","","","","","1.045","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558659","11.8749","0.0004","6.1545","0.0002","12.1392","0.0004","90","","105.369","0.001","90","","855.46","0.05","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O -","- C23 H20 O -","- C46 H40 O2 -","2","1","","Yuan, Yuan; Zhang, Xue; Qian, Hui; Ma, Shengming","Catalytic enantioselective allene-anhydride approach to β,γ-unsaturated enones bearing an α-all-carbon-quaternary center","Chemical Science","2020","","","","","10.1039/D0SC03227A","","","1.54178","CuKα","","0.0398","0.0389","","","0.1094","0.1109","","","","","","1.048","","","","has coordinates","254490","2020-10-21","18:00:00",""
"1558685","9.8938","0.0018","19.286","0.003","10.6047","0.0019","90","","116.982","0.013","90","","1803.2","0.6","170","2","169.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 N6 Ni O2 -","- C44 H32 N6 Ni O2 -","- C88 H64 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.129","0.0666","","","0.153","0.1858","","","","","","0.921","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558689","10.9445","0.0009","7.3353","0.0006","23.495","0.002","90","","96.25","0.004","90","","1875","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]-methyl 16-oxo-ent-beyran-19-oat","","- C37 H51 N3 O12 -","- C37 H51 N3 O12 -","- C74 H102 N6 O24 -","2","1","","Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E.","Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00134","","","0.71073","MoKα","","0.0763","0.0509","","","0.1144","0.1301","","","","","","0.893","","","","has coordinates","254656","2020-10-21","18:00:00",""
"1558690","11.5347","0.0019","8.1076","0.0014","11.9342","0.0016","90","","112.133","0.008","90","","1033.8","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N3 O2 -","- C22 H35 N3 O2 -","- C44 H70 N6 O4 -","2","1","","Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E.","Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00134","","","0.71073","MoKα","","0.2465","0.0874","","","0.1016","0.1432","","","","","","0.992","","","","has coordinates","254657","2020-10-21","18:00:00",""
"1558691","9.5202","0.0018","14.868","0.003","10.981","0.002","90","","113.499","0.004","90","","1425.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O4 S2 -","- C30 H38 N2 O4 S2 -","- C60 H76 N4 O8 S4 -","2","1","","Walia, Manish; Teijaro, Christiana N.; Gardner, Alex; Tran, Thi; Kang, Jinfeng; Zhao, Senzhi; O’Connor, Sarah E.; Courdavault, Vincent; Andrade, Rodrigo B.","Synthesis of (−)-Melodinine K: A Case Study of Efficiency in Natural Product Synthesis","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00310","","","0.71073","MoKα","","0.0465","0.0367","","","0.0794","0.0825","","","","","","0.979","","","","has coordinates","254658","2020-10-21","18:00:00",""
"1558752","13.155","0.004","13.567","0.004","17.3","0.005","90","","95.737","0.013","90","","3072.1","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0185","","","0.0475","0.0477","","","","","","1.037","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558788","12.14978","0.00017","26.7382","0.0003","23.8054","0.0002","90","","94.0929","0.001","90","","7713.78","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.75 H23 F N3 O4.75 S -","- C17.75 H23 F N3 O4.75 S -","- C284 H368 F16 N48 O76 S16 -","16","8","","Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu","The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00500","","","1.54184","CuKα","","0.0814","0.0553","","","0.1461","0.1723","","","","","","1.019","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558856","12.9977","0.0003","9.61","0.0002","15.9499","0.0004","90","","111.677","0.003","90","","1851.38","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H44 O7 -","- C42 H44 O7 -","- C84 H88 O14 -","2","1","","Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy","Prenylated Flavonoids from the Roots of Tephrosia rhodesica.","Journal of natural products","2020","83","8","2390","2398","10.1021/acs.jnatprod.0c00245","","","1.54184","CuKα","","0.039","0.0353","","","0.0866","0.0888","","","","","","1.035","","","","has coordinates","255874","2020-10-21","18:00:00",""
"1558880","7.7113","0.0002","10.3066","0.0002","12.1791","0.0003","90","","97.215","0.001","90","","960.3","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus Talaromyces scorteus AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0552","0.0507","","","0.1336","0.1382","","","","","","1.081","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558882","7.2621","0.0008","12.6474","0.001","10.7864","0.0012","90","","99.188","0.002","90","","977.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus Talaromyces scorteus AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0904","0.0627","","","0.1366","0.157","","","","","","1.042","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558916","7.3771","0.0002","12.8589","0.0003","8.6273","0.0002","90","","91.272","0.001","90","","818.2","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0256","0.0255","","","0.0656","0.0657","","","","","","1.062","","","","has coordinates","255667","2020-10-21","18:00:00",""
"1558917","5.6085","0.0002","15.2308","0.0004","7.9538","0.0002","90","","98.2","0.001","90","","672.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0265","0.0265","","","0.0692","0.0692","","","","","","1.084","","","","has coordinates","255668","2020-10-21","18:00:00",""
"1558925","11.124","0.025","6.286","0.004","11.856","0.004","90","","103.84","0.04","90","","805","1.9","","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H10 N4 O8 -","- C17 N4 O8 -","- C34 N8 O16 -","2","1","","Eberson, Lennart; Hartshorn, Michael P.; Radner, Finn; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. VIII. Isolation, X-Ray Structural Analysis and Chemical Properties of a Vicinal Nitro/trinitromethyl Adduct from Fluoranthene","Acta Chemica Scandinavica","1993","47","","410","415","10.3891/acta.chem.scand.47-0410","","x-ray","0.71073","MoKα","","","0.069","","","","0.178","","","","","","","","","","has coordinates","255712","2020-10-21","18:00:00",""
"1558963","7.6121","0.0006","27.2894","0.0018","8.5005","0.0005","90","","107.255","0.008","90","","1686.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","MePhImCH(CHCH2)PhIm","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","2","","Kanbayashi, Naoya; Saegusa, Marina; Ishido, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of an optically active polymer containing a planar phthalimide backbone by asymmetric polymerization","Polymer Chemistry","2020","11","39","6241","6250","10.1039/D0PY01073A","","x-ray","0.71075","MoKα","","0.108","0.0567","","","0.0958","0.111","","","","","","1.032","","","","has coordinates","258991","2020-11-06","13:21:54",""
"1559050","8.9647","0.0003","9.7465","0.0004","9.235","0.0003","90","","110.225","0.001","90","","757.15","0.05","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying","Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer","Chemical Science","2020","","","","","10.1039/D0SC02828B","","","1.34139","GaKα","","0.0263","0.0261","","","0.0734","0.0737","","","","","","1.068","","","","has coordinates","256330","2020-10-21","18:00:00",""
"1559057","9.7052","0.0007","16.6173","0.0011","15.6111","0.001","90","","107.433","0.004","90","","2402","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H28 O4 -","- C29 H28 O4 -","- C116 H112 O16 -","4","2","","Zhu, Zhou-Hao; Ding, Yi-Xuan; Wu, Bo; Zhou, Yong-Gui","Design and Synthesis of Chiral and Regenerable [2.2]Paracyclophane-Based NAD(P)H Models and Application in Biomimetic Reduction of Flavonoids","Chemical Science","2020","","","","","10.1039/D0SC04188B","","","1.54178","CuKα","","0.1176","0.0748","","","0.185","0.2229","","","","","","1.043","","","","has coordinates","256332","2020-10-21","18:00:00",""
"1559059","13.3144","0.0009","9.8595","0.0007","14.5355","0.001","90","","95.339","0.002","90","","1899.8","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H37 Cl3 N4 O7 -","- C41 H37 Cl3 N4 O7 -","- C82 H74 Cl6 N8 O14 -","2","1","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","0.71073","MoKα","","0.0776","0.0644","","","0.1816","0.2025","","","","","","1.068","","","","has coordinates,has disorder","256333","2020-10-21","18:00:00",""
"1559060","6.6786","0.0013","19.494","0.004","21.437","0.004","90","","92.008","0.009","90","","2789.2","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 O6 -","- C34 H30 O6 -","- C136 H120 O24 -","4","2","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","1.54178","CuKα","","0.2052","0.0967","","","0.2063","0.2695","","","","","","0.944","","","","has coordinates","256333","2020-10-21","18:00:00",""
"1559079","13.369","0.002","5.455","0.002","11.171","0.003","90","","95.8","0.02","90","","810.5","0.4","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","6,7-Dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","","- C17 H20 Cl N O2 -","- C17 Cl N O2 -","- C34 Cl2 N2 O4 -","2","1","","Mondeshka, Diana; Angelova, Ivanka; Stensland, Birgitta; Werner, Per-Erik; Ivanov, Chavdor","Resolution and Absolute Stereochemistry of 6,7-Dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline. The Crystal Structure of the R-Hydrochloride Salt Form","Acta Chemica Scandinavica","1992","46","","54","59","10.3891/acta.chem.scand.46-0054","","x-ray","0.71069","MoKα","","","0.0488","","","0.0416","","","","","","","","","","","has coordinates","256404","2020-10-21","18:00:00",""
"1559081","11.3797","0.001","8.082","0.0004","28.058","0.002","90","","99.811","0.006","90","","2542.8","0.3","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5α-Spirostan-3β,5-diol","","- C27 H45 O4.5 -","- C27 H45 O4.5 -","- C108 H180 O18 -","4","2","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1376","0.041","","","0.0571","0.0698","","","","","","0.602","","","","has coordinates","260727","2021-01-07","05:35:31",""
"1559094","7.7633","0.0002","10.4691","0.0003","22.3209","0.0007","90","","90.211","0.001","90","","1814.11","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 O5.5 -","- C20 H24 O5.5 -","- C80 H96 O22 -","4","2","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from Leonurus japonicus and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0782","0.0755","","","0.1916","0.2016","","","","","","1.048","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1559112","12.227","0.005","15.501","0.005","12.834","0.004","90","","100.74","0.02","90","","2389.8","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 F3 N2 O3 -","- C24 H25 F3 N2 O3 -","- C96 H100 F12 N8 O12 -","4","2","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","","1.54178","CuKα","","0.0851","0.0541","","","0.1301","0.1475","","","","","","1.028","","","","has coordinates","256512","2020-10-21","18:00:00",""
"1559130","5.0144","0.0004","11.1979","0.0009","18.4427","0.0014","90","","91.258","0.001","90","","1035.32","0.14","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Asaroidoxazine A","(S)-2-((9,12-dimethoxy-5-oxo-5,8-dihydro-[1,3]dioxolo[4',5':3,4]phenanthro[10,1-cd][1,2]oxazin-8-yl)thio)acetamide","","- C21 H20 N2 O8 S -","- C21 H20 N2 O8 S -","- C42 H40 N4 O16 S2 -","2","1","","Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro","Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00574","","","0.71073","MoKa","","0.0372","0.0335","","","0.0962","0.1018","","","","","","0.787","","","","has coordinates","256583","2020-10-21","18:00:00",""
"1559135","8.38","0.012","5.067","0.007","19.58","0.03","90","","94.25","0.04","90","","829","2","301","2","301.57","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H30 O4 -","- C15 H30 O4 -","- C30 H60 O8 -","2","1","","Saha, Sanu; Paul, Debobrata; Goswami, Rajib Kumar","Cyclodepsipeptide Alveolaride C: Total Synthesis and Structural Assignment","Chemical Science","2020","","","","","10.1039/D0SC04478D","","","0.71073","MoKα","","0.3111","0.1285","","","0.2632","0.3464","","","","","","0.938","","","","has coordinates","256607","2020-10-21","18:00:00",""
"1559170","8.6514","0.0001","16.4017","0.0002","8.7158","0.0001","90","","115.259","0.002","90","","1118.5","0.03","173","0.1","173","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl5 N O2 Pd S -","- C17 H20 Cl5 N O2 Pd S -","- C34 H40 Cl10 N2 O4 Pd2 S2 -","2","1","","Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei","Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step","Chemical Science","2020","","","","","10.1039/D0SC02246B","","x-ray","1.54184","CuKα","","0.0211","0.0211","","","0.0541","0.0541","","","","","","1.065","","","","has coordinates","256691","2020-10-21","18:00:00",""
"1559204","6.3952","0.0003","9.0538","0.0004","10.7157","0.0005","90","","100.069","0.003","90","","610.89","0.05","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C28 H22 N2 O12 -","2","1","","Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua","Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00523","","","1.54178","CuKα","","0.0308","0.03","","","0.0831","0.0839","","","","","","1.061","","","","has coordinates","256775","2020-10-21","18:00:00",""
"1559219","6.006","0.001","21.875","0.003","9.416","0.002","90","","97.35","0.01","90","","1226.9","0.4","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","4,6,8-Trihydroxy-11-Capnosene-2,10-dione","","","- C27 H36 O6 -","- C27 H35 O6 -","- C54 H70 O12 -","2","1","","Eklund, Ann-Marie; Berg, Jan-Eric; Wahlberg, Inger","Tobacco Chemistry. 73. 4,6,8-Trihydroxy-11-Capnosene-2,10-dione, a Cembrane-Derived Bicyclic Diterpenoid from Tobacco","Acta Chemica Scandinavica","1992","46","","367","371","10.3891/acta.chem.scand.46-0367","","x-ray","0.71069","MoKα","","","0.044","","","0.057","0.066","","","","","","","","","","has coordinates","256825","2020-10-21","18:00:00",""
"1559230","9.5589","0.0013","9.8191","0.0012","10.5891","0.0015","90","","92.49","0.01","90","","993","0.2","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","(1S,2E,4S,6R,7E,10R,11R)-10,11-epoxy-2,7,12(20)-cembratriene-4,6-diol","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Vogt, Carmen; Berg, Jan-Eric; Wahlberg, Inger","Tobacco Chemistry. 74. Four New Epoxycembranoids from Tobacco","Acta Chemica Scandinavica","1992","46","","789","795","10.3891/acta.chem.scand.46-0789","","x-ray","0.71069","MoKα","","","0.058","","","0.08","0.085","","","","","","","","","","has coordinates","256884","2020-10-21","18:00:00",""
"1559261","14.6657","0.0004","9.2134","0.0003","27.2283","0.0019","90","","105.599","0.007","90","","3543.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C152 H176 O56 -","8","4","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from Austrobuxus carunculatus Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.1015","0.0561","","","0.1321","0.1618","","","","","","0.948","","","","has coordinates","258715","2020-11-04","01:28:14",""
"1559267","9.6322","0.0003","10.6501","0.0004","14.5182","0.001","90","","100.881","0.007","90","","1462.56","0.13","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O10 -","- C30 H46 O10 -","- C60 H92 O20 -","2","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from Austrobuxus carunculatus Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.151","0.0871","","","0.1969","0.2646","","","","","","1.107","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559293","7.9782","0.001","5.9102","0.0005","9.3714","0.0013","90","","100.168","0.011","90","","434.95","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C14 H22 N2 O6 S2 -","2","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.0991","0.0756","","","0.1762","0.1951","","","","","","1.058","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559299","11.3164","0.0003","6.9373","0.0001","17.384","0.0004","90","","102.274","0.002","90","","1333.54","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O10 -","- C28 H29 N O10 -","- C56 H58 N2 O20 -","2","1","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","0.71073","MoKα","","0.0411","0.0339","","","0.0709","0.0739","","","","","","1.031","","","","has coordinates","258245","2020-10-21","18:00:00",""
"1559304","5.8853","0.0002","7.6219","0.0002","16.1377","0.0004","90","","97.424","0.003","90","","717.82","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0458","0.0439","","0.1175","0.1151","0.1175","","","","","","1.0016","","","","has coordinates","258262","2020-10-21","18:00:00",""
"1559307","5.9422","0.0002","7.602","0.0002","14.7513","0.0004","90","","101.005","0.002","90","","654.1","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C26 H44 O8 -","2","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0586","0.0575","","0.1537","0.1495","0.1537","","","","","","1.0015","","","","has coordinates,has disorder","258262","2020-10-21","18:00:00",""
"1559395","8.42344","0.00005","13.02017","0.00008","15.78803","0.0001","90","","92.1346","0.0006","90","","1730.34","0.018","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","2","","Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00873","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0719","0.072","","","","","","1.067","","","","has coordinates","258564","2020-10-22","23:24:51",""
"1559396","8.4465","0.0002","13.0493","0.0004","15.8066","0.0005","90","","91.564","0.001","90","","1741.57","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","2","","Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00873","","","1.54178","CuKα","","0.0283","0.0282","","","0.0721","0.0722","","","","","","1.043","","","","has coordinates","258565","2020-10-22","23:25:17",""
"1559409","14.872","0.0007","7.8414","0.0005","35.3848","0.0017","90","","92.297","0.004","90","","4123.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","4","","Zhang, Wei-Yang; Zhong, Yue; Yu, Yang; Shi, Dan-Feng; Huang, Hui-Yun; Tang, Xiao-Long; Wang, Yong-Heng; Chen, Guo-Dong; Zhang, Hui-Ping; Liu, Chen-Li; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","4-Hydroxy Pyridones from Heterologous Expression and Cultivation of the Native Host.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00675","","x-ray","1.54184","CuKα","","0.1051","0.0667","","","0.158","0.1912","","","","","","0.985","","","","has coordinates","258596","2020-10-24","23:04:25",""
"1559413","15.4258","0.0005","8.2007","0.0002","20.1539","0.0006","90","","98.481","0.003","90","","2521.64","0.13","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 N4 O6 -","- C29 H28 N4 O6 -","- C116 H112 N16 O24 -","4","2","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.0591","0.0502","","","0.1234","0.1335","","","","","","1.046","","","","has coordinates","258607","2020-10-27","00:10:08",""
"1559433","5.7834","0.0002","9.614","0.0004","12.3417","0.0004","90","","102.028","0.002","90","","671.15","0.04","90","0.1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl3 N2 O S -","- C9 H15 Cl3 N2 O S -","- C18 H30 Cl6 N4 O2 S2 -","2","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","","0.71073","MoKα","","0.0196","0.019","","","0.0475","0.0479","","","","","","1.035","","","","has coordinates","258657","2020-10-31","00:16:13",""
"1559434","5.8041","0.0009","9.6514","0.0014","12.3924","0.0018","90","","102.123","0.002","90","","678.71","0.17","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl3 N2 O S -","- C9 H15 Cl3 N2 O S -","- C18 H30 Cl6 N4 O2 S2 -","2","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","","0.71073","MoKα","","0.0201","0.0191","","","0.0465","0.0471","","","","","","1.037","","","","has coordinates","258658","2020-10-31","00:16:31",""
"1559451","18.201","0.003","18.852","0.003","20.713","0.003","90","","114.279","0.005","90","","6478.6","1.8","173","2","173","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C256 H166 B2 Cl24 F45 N4 O8 Pd2 -","2","1","","Zhang, Yuxing; Jian, Zhongbao","Comprehensive Picture of Functionalized Vinyl Monomers in Chain-Walking Polymerization","Macromolecules","2020","53","20","8858","8866","10.1021/acs.macromol.0c01953","","","1.54178","CuKα","","0.0618","0.0606","","","0.1689","0.1717","","","","","","1.026","","","","has coordinates,has disorder","258692","2020-11-04","01:01:25",""
"1559456","9.626","0.003","3.838","0.003","10.745","0.003","90","","109.17","0.02","90","","375","0.3","","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","4-Hydroxybenzaldehyde oxime monohydrate","","","- C7 H9 N O3 -","- C7 N O3 -","- C14 N2 O6 -","2","1","","Jerslev, Bodil; Larsen, Sine","Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes","Acta Chemica Scandinavica","1991","45","","285","291","10.3891/acta.chem.scand.45-0285","","x-ray","0.71073","MoKα","","","0.055","","","0.064","","","","","","","1.1","","","","has coordinates","258727","2020-11-04","10:45:24",""
"1559510","6.219","0.002","11.25","0.001","14.475","0.001","90","","100.64","0.01","90","","995.3","0.3","","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-(Z)-fenchone oxime], (+)-(Z)-1,3,3-trimethyl-anti-7-chlorobicyclo[2.2.1]heptan-2-one oxime","","","- C10 H17 N O -","- C10 N O -","- C40 N4 O4 -","4","2","","Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki","X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product","Acta Chemica Scandinavica","1991","45","","751","757","10.3891/acta.chem.scand.45-0751","","x-ray","0.71069","MoKα","","","0.054","","","0.052","","","","","","","0.65","","","","has coordinates","259140","2020-11-14","10:28:37",""
"1559512","6.231","0.022","22.357","0.01","7.848","0.003","90","","99.32","0.04","90","","1079","4","","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","(Z)-8-chlorofenchone oxime","","","- C10 H16 Cl N O -","- C10 N O -","- C40 N4 O4 -","4","2","","Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki","X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product","Acta Chemica Scandinavica","1991","45","","751","757","10.3891/acta.chem.scand.45-0751","","x-ray","0.71069","MoKα","","","0.047","","","0.067","","","","","","","1.17","","","","has coordinates","259142","2020-11-14","10:29:02",""
"1559513","6.152","0.004","10.278","0.008","7.764","0.007","90","","111.73","0.11","90","","456","0.7","","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","6,6-dimethy1-3-oxa-4-azatricyclo[5.2.1.0(1.5)]dec-4-ene","","","- C10 H15 N O -","- C10 N O -","- C20 N2 O2 -","2","1","","Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki","X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product","Acta Chemica Scandinavica","1991","45","","751","757","10.3891/acta.chem.scand.45-0751","","x-ray","0.71069","MoKα","","","0.041","","","0.034","","","","","","","0.31","","","","has coordinates","259143","2020-11-14","10:29:14",""
"1559534","6.2593","0.0014","11.449","0.003","12.078","0.003","90","","98.21","0.005","90","","856.7","0.4","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","1","","Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales","Phytotoxic Neocassane Diterpenes from Eragrostis plana.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00324","","","0.71073","MoKα","","0.0992","0.0839","","","0.2781","0.2904","","","","","","1.189","","","","has coordinates","259181","2020-11-19","00:12:37",""
"1559620","12.394","0.0009","14.5843","0.0005","19.472","0.0007","90","","107.233","0.004","90","","3361.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.78229","Synchrotron","","0.1727","0.0779","","","0.1738","0.2467","","","","","","1.052","","","","has coordinates,has disorder","259338","2020-11-30","02:04:43",""
"1559621","12.2772","0.0005","14.5882","0.0006","36.9888","0.0015","90","","91.924","0.007","90","","6621","0.5","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0736","0.0601","","","0.1619","0.1709","","","","","","1.071","","","","has coordinates,has disorder","259338","2020-11-30","02:04:44",""
"1559622","12.3036","0.0005","14.6207","0.0006","19.2792","0.0008","90","","106.497","0.008","90","","3325.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0605","0.0584","","","0.1591","0.1616","","","","","","1.046","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559623","12.131","0.011","14.308","0.012","36.28","0.03","90","","91.678","0.007","90","","6294","9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.1721","0.0777","","","0.2186","0.2743","","","","","","0.996","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559624","12.1827","0.0003","14.5714","0.0003","36.9401","0.0009","90","","91.847","0.007","90","","6554.2","0.3","20","2","20","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0376","0.0363","","","0.0896","0.0905","","","","","","1.017","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559626","12.3769","0.0005","14.622","0.0006","19.3798","0.0008","90","","106.751","0.007","90","","3358.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0561","0.0516","","","0.1397","0.1447","","","","","","1.066","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559627","12.457","0.003","14.737","0.003","19.461","0.004","90","","107.079","0.008","90","","3415.1","1.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0798","0.0597","","","0.1591","0.1726","","","","","","1.049","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559629","12.366","0.0005","14.6509","0.0006","19.3318","0.0009","90","","106.695","0.008","90","","3354.8","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0682","0.0642","","","0.1909","0.1956","","","","","","1.065","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559631","12.3376","0.0006","14.6395","0.0007","19.3056","0.001","90","","106.583","0.008","90","","3341.9","0.3","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0614","0.0588","","","0.1682","0.1712","","","","","","1.051","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559633","12.2172","0.0003","14.5659","0.0004","36.9576","0.001","90","","91.839","0.007","90","","6573.4","0.3","60","2","60","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0508","0.0482","","","0.1188","0.1208","","","","","","1.018","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559658","17.049","0.0003","14.1638","0.0002","25.7784","0.0004","90","","103.896","0.0018","90","","6042.76","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 -","- C41 H28 N4 -","- C328 H224 N32 -","8","4","","Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo","Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence","Materials Horizons","2021","8","2","547","555","10.1039/D0MH01521K","","x-ray","1.54184","CuKα","","0.0519","0.0418","","","0.0948","0.101","","","","","","1.017","","","","has coordinates","262729","2021-03-05","02:28:17",""
"1559663","8.684","0.001","14.16","0.003","10.375","0.001","90","","108.99","0.01","90","","1206.3","0.3","","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II)","","","- C20 H25 Br N4 O S2 Te -","- C20 Br N4 O S2 Te -","- C40 Br2 N8 O2 S4 Te2 -","2","1","","Husebye, Steinar; Maartmann-Moe, Knut; Mikalsen, Oyvind","The Crystal and Molecular Structure of 4-Ethoxyphenyltellurenyl Methylxanthate, C2H5OPhTeSC(S)OCH3, 4-Ethoxyphenyltellurenyl Dimethyldithiophosphate, C2H5OPhTeSP(S)(OCH3)2, and Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II) Bromide, [PhTe(etu)SC(NHPh)N(CH2)4O]Br","Acta Chemica Scandinavica","1990","44","","464","469","10.3891/acta.chem.scand.44-0464","","x-ray","0.71073","MoKα","","","0.049","","","0.049","","","","","","","1.638","","","","has coordinates","259356","2020-11-30","10:39:25",""
"1559732","9.0142","0.0016","9.975","0.002","11.8175","0.0014","90","","95.44","0.013","90","","1057.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl O2 -","- C25.963 H19 Cl O2 -","- C51.926 H38 Cl2 O4 -","2","1","","Peng, Xiaolin; Xu, Jun; Li, Tingting; Chi, Yonggui Robin; Jin, Zhichao","Chemo-selective cross reaction of two enals via carbene-catalyzed dual activation","Chemical Science","2020","11","46","12533","12539","10.1039/D0SC03297B","","","1.54178","CuKα","","0.0844","0.0655","","","0.154","0.1784","","","","","","1.079","","","","has coordinates,has disorder","259677","2020-12-09","02:14:02",""
"1559733","10.6148","0.0002","5.0773","0.0001","15.8871","0.0003","90","","104.929","0.002","90","","827.33","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 Cl N2 O3 -","- C16 H23 Cl N2 O3 -","- C32 H46 Cl2 N4 O6 -","2","1","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.049","0.0387","","","0.0811","0.085","","","","","","1.01","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559768","14.0179","0.0005","13.6325","0.0005","22.7651","0.0007","90","","107.536","0.001","90","","4148.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0348","0.0337","","","0.0884","0.0896","","","","","","1.029","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559771","14.0444","0.0004","13.7744","0.0004","22.8418","0.0007","90","","107.59","0.001","90","","4212.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0439","0.0412","","","0.1098","0.1134","","","","","","1.025","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559785","14.0331","0.0004","13.6998","0.0004","22.8049","0.0007","90","","107.555","0.001","90","","4180.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0372","0.0355","","","0.0945","0.0965","","","","","","1.037","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559804","10.8235","0.0017","10.926","0.002","11.4404","0.0013","90","","94.553","0.013","90","","1348.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl3 O2 -","- C26 H37 Cl3 O2 -","- C52 H74 Cl6 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus Aspergillus insuetus SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.2008","0.1155","","","0.2549","0.3274","","","","","","1.132","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559805","11.5452","0.0014","6.0471","0.0007","16.751","0.002","90","","105.919","0.003","90","","1124.6","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O2 -","- C25 H38 O2 -","- C50 H76 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus Aspergillus insuetus SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.105","0.0562","","","0.0569","0.0773","","","","","","0.967","","","","has coordinates","260432","2021-01-04","03:17:56",""
"1559814","6.1281","0.0002","27.1638","0.0005","28.2117","0.0007","90","","91.472","0.002","90","","4694.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","4","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0692","0.0553","","","0.1294","0.137","","","","","","1.037","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1559816","6.1518","0.00006","60.5855","0.0006","6.15597","0.00007","90","","106.532","0.0011","90","","2199.54","0.04","90","0.9","90","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-((R)-5-oxotetrahydrofuran-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0486","0.0455","","","0.1155","0.1192","","","","","","1.035","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559889","10.4164","0.0002","6.6513","0.0002","11.2592","0.0002","90","","96.9535","0.0017","90","","774.33","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.5418","CuKα","","0.023","0.0229","","0.0591","0.059","0.0591","","","","","","1.0108","","","","has coordinates","262547","2021-03-05","01:39:03",""
"1559890","6.2203","0.0004","17.3233","0.0009","11.9123","0.0006","90","","92.951","0.005","90","","1281.92","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-hydroxy-4-oxo-but-2-enoate; (3-methoxy-2-thienyl)methyl- [2-[(7R)-7-(2-pyridyl)-10-oxaspiro[4.5]decan-7-yl]ethyl]ammonium","","- C26 H34 N2 O6 S -","- C26 H34 N2 O6 S -","- C52 H68 N4 O12 S2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed Z →E isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","","1.54184","CuKα","","0.0669","0.0543","","","0.1535","0.1715","","","","","","1.068","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559924","12.4336","0.0005","17.1372","0.0006","17.1518","0.0012","90","","110.001","0.006","90","","3434.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Asperginol B","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","2","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an Aspergillus sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","","1.54184","CuKα","","0.0615","0.0527","","","0.1495","0.1632","","","","","","0.936","","","","has coordinates","260402","2021-01-04","00:29:57",""
"1559929","9.8847","0.0023","10.0312","0.0035","10.7108","0.0043","90","","108.97","0.76","90","","1004","5","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","Oxotriol","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Arndt, Rolf; Berg, Jan-Eric; Wahlberg, Inger","Tobacco Chemistry. 71. Structure Determination and Biomimetic Studies of Five New Tobacco Cembranoid","Acta Chemica Scandinavica","1990","44","","814","825","10.3891/acta.chem.scand.44-0814","","x-ray","0.71073","MoKα","","","0.038","","","0.051","0.053","","","","","","","","","","has coordinates","260443","2021-01-04","10:37:14",""
"1559954","6.9704","0.0003","8.0097","0.0003","11.9695","0.0005","90","","100.105","0.002","90","","657.9","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H13 F2 N O4 S2 -","- C10 H13 F2 N O4 S2 -","- C20 H26 F4 N2 O8 S4 -","2","1","","Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela","2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases","Chemical Science","2021","12","8","2898","2908","10.1039/D0SC05172A","","","0.71073","MoKα","","0.0362","0.0323","","","0.0844","0.0889","","","","","","1.115","","","","has coordinates,has disorder","263691","2021-04-05","14:20:29",""
"1559990","10.201","0.0003","33.0414","0.0012","12.1739","0.0003","90","","105.418","0.003","90","","3955.6","0.2","180","0.1","180","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(NNTSB)Yb(k4-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C136 H248 Fe4 N8 O24 Si8 Yb4 -","4","2","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.0829","0.0851","","","","","","1.017","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1560025","8.2171","0.0006","20.0635","0.0013","9.9302","0.0006","90","","111.472","0.002","90","","1523.51","0.18","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C33H29AuBClF4NP","","- C33 H29 Au B Cl F4 N P -","- C33 H29 Au B Cl F4 N P -","- C66 H58 Au2 B2 Cl2 F8 N2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0345","0.031","","","0.0558","0.0571","","","","","","1.098","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560027","8.2911","0.0007","15.0763","0.0013","14.2431","0.0012","90","","97.96","0.004","90","","1763.2","0.3","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C37H37AuB2F8NPS","","- C37 H37 Au B2 F8 N P S -","- C37 H37 Au B2 F8 N P S -","- C74 H74 Au2 B4 F16 N2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0408","0.0403","","","0.1051","0.1054","","","","","","1.115","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560053","7.7925","0.0013","12.885","0.002","12.398","0.002","90","","104.054","0.007","90","","1207.6","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H26 N3 O4 -","- C29 H26 N3 O4 -","- C58 H52 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1464","0.0905","","","0.2407","0.276","","","","","","1.051","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560072","17.219","0.005","22.693","0.007","18.331","0.005","90","","91.312","0.006","90","","7161","4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H66 Cl8 N8 O8 -","- C80 H66 Cl8 N8 O8 -","- C320 H264 Cl32 N32 O32 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1864","0.1229","","","0.3145","0.359","","","","","","1.026","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560073","5.656","0.0003","8.202","0.0004","16.2422","0.0009","90","","92.949","0.002","90","","752.49","0.07","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0893","0.0562","","","0.1274","0.1487","","","","","","1.049","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560122","18.5604","0.0011","7.5949","0.0004","8.0212","0.0005","90","","96.383","0.005","90","","1123.69","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","vinpocetine oxalate","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.037","3.078","","","","","","","has coordinates","263692","2021-04-05","14:20:47",""
"1560129","7.2473","0.0001","12.2693","0.0002","10.9251","0.0001","90","","90.353","0.001","90","","971.43","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C44 H38 N2 O6 S2 Se2 -","2","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.54178","CuKα","","0.0306","0.0304","","","0.081","0.0812","","","","","","0.989","","","","has coordinates","263614","2021-04-05","13:50:08",""
"1560132","11.7561","0.0006","21.9863","0.0011","14.0957","0.0007","90","","101.427","0.002","90","","3571.1","0.3","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","4","","Kim, Jun Gu; Lee, Jin Woo; Le, Thi Phuong Linh; Han, Jae Sang; Kwon, Haeun; Lee, Dongho; Hong, Jin Tae; Kim, Youngsoo; Lee, Mi Kyeong; Hwang, Bang Yeon","Diterpenoids and Diacetylenes from the Roots of Aralia cordata with Inhibitory Effects on Nitric Oxide Production.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c00842","","","1.54178","CuKα","","0.0315","0.0309","","","0.0813","0.0818","","","","","","1.125","","","","has coordinates","261149","2021-01-23","00:09:28",""
"1560133","10.077","0.004","5.678","0.003","13.478","0.006","90","","96.922","0.017","90","","765.6","0.6","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C38 H32 Br2 N2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-a]-1H-indole derivatives via a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0358","0.0299","","","0.0724","0.0749","","","","","","1.042","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560134","10.4093","0.0008","6.0139","0.0004","12.2223","0.001","90","","100.849","0.003","90","","751.45","0.1","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C34 H40 Cl2 N2 O2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-a]-1H-indole derivatives via a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0272","0.0261","","","0.0635","0.0644","","","","","","1.053","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560145","14.2409","0.0017","14.1749","0.0017","20.804","0.002","90","","104.449","0.004","90","","4066.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H121 Li6 N3 O8 -","- C77 H121 Li6 N3 O8 -","- C154 H242 Li12 N6 O16 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.1305","0.0713","","","0.1594","0.1863","","","","","","1.019","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560149","9.6364","0.0005","9.8092","0.0005","11.8602","0.0005","90","","90.442","0.004","90","","1121.06","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethyl 2-bromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H23 Br O8 -","- C22 H23 Br O8 -","- C44 H46 Br2 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0863","0.0677","","","0.1502","0.161","","","","","","1.046","","","","has coordinates,has disorder","267080","2021-07-05","16:53:06",""
"1560181","9.8433","0.0003","10.2481","0.0003","20.401","0.0006","90","","103.193","0.0014","90","","2003.63","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H39 Al Cl F10 N3 O2.5 -","- C44 H39 Al Cl F10 N3 O2.5 -","- C88 H78 Al2 Cl2 F20 N6 O5 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L2Al] n- complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0403","0.0361","","","0.0894","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267077","2021-07-05","16:52:13",""
"1560193","15.0063","0.0009","14.1711","0.0008","17.7959","0.0011","90","","91.705","0.001","90","","3782.7","0.4","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H41 N3 O6 Zn -","- C44 H41 N3 O6 Zn -","- C176 H164 N12 O24 Zn4 -","4","2","","Hijazi Abu Ali; Hadeel Fares; Mohanad Darawsheh; Emilia Rappocciolo; Mutaz Akkawi; Suhair Jaber","Synthesis, characterization and biological activity of new mixed ligand complexes of Zn(II) naproxen with nitrogen based ligands","European Journal of Medicinal Chemistry","2015","89","","67","76","10.1016/j.ejmech.2014.10.032","","","0.71073","MoKα","","0.0978","0.0698","","","0.1714","0.1878","","","","","","0.993","","","","has coordinates","261185","2021-01-25","09:30:53",""
"1560204","9.6009","0.0002","10.3983","0.0002","9.9867","0.0002","90","","115.222","0.001","90","","901.95","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C38 H36 N4 O4 S4 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0242","0.0236","","","0.0601","0.0607","","","","","","1.038","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560206","11.9789","0.0005","20.7474","0.0009","12.9099","0.0005","90","","106.293","0.001","90","","3079.7","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Yb -","- C49 H78 F9 N4 O17 S3 Yb -","- C98 H156 F18 N8 O34 S6 Yb2 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0218","0.0217","","","0.056","0.056","","","","","","1.053","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560264","14.485","0.003","13.276","0.003","16.008","0.004","90","","104.344","0.006","90","","2982.4","1.2","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C110 H136 Cl4 N4 O6 P4 Ru2 -","2","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0284","0.0266","","","0.0702","0.0708","","","","","","1.219","","","","has coordinates","264853","2021-05-05","07:55:40",""
"1560274","9.4575","0.0006","13.1739","0.0008","12.1272","0.0007","90","","101.138","0.002","90","","1482.49","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H40 K N O6 -","- C32 H40 K N O6 -","- C64 H80 K2 N2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0239","0.0231","","","0.0581","0.0587","","","","","","1.064","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560277","9.8522","0.0009","7.7653","0.0007","12.2084","0.0011","90","","95.841","0.005","90","","929.16","0.15","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H20 N -","- C26 H20 N -","- C52 H40 N2 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0337","0.031","","","0.0761","0.0775","","","","","","1.061","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560284","8.61617","0.00017","16.0717","0.0003","12.1358","0.0003","90","","90.6233","0.0018","90","","1680.42","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C68 H104 O24 -","4","2","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a Podospora sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54184","CuKα","","0.0565","0.0497","","","0.1294","0.1336","","","","","","1.069","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560287","5.59493","0.00008","16.1943","0.0002","11.21004","0.00014","90","","97.6959","0.0012","90","","1006.55","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C44 H56 O14 -","2","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a Podospora sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0408","0.0394","","","0.1072","0.1083","","","","","","1.09","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560352","7.6316","0.0003","6.1204","0.0003","8.6893","0.0003","90","","111.394","0.001","90","","377.9","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H Mn O9 Sr2 V2 -","- H Mn O9 Sr2 V2 -","- H2 Mn2 O18 Sr4 V4 -","2","1","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.0151","0.0146","","","0.038","0.0382","","","","","","1.12","","","","has coordinates","261916","2021-02-12","14:09:09",""
"1560370","6.8601","0.0004","20.5081","0.0011","7.345","0.0004","90","","92.708","0.001","90","","1032.2","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","","Yang, Jinghui; Xia, Yan","Mechanochemical generation of acid-degradable poly(enol ether)s","Chemical Science","2021","12","12","4389","4394","10.1039/D1SC00001B","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0775","0.0776","","","","","","1.019","","","","has coordinates","263712","2021-04-05","14:29:25",""
"1560478","6.7278","0.0002","16.0335","0.0005","8.9985","0.0003","90","","108.883","0.004","90","","918.43","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N7 O9 Zn2 -","- C15 H17 N7 O9 Zn2 -","- C30 H34 N14 O18 Zn4 -","2","1","","Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang","Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties","Journal of Solid State Chemistry","2017","250","","83","89","10.1016/j.jssc.2016.11.005","","","0.71073","MoKα","","0.035","0.0319","","","0.0645","0.0666","","","","","","1.021","","","","has coordinates","262072","2021-02-18","10:47:17",""
"1560602","9.9631","0.0003","9.1494","0.0002","13.3605","0.0004","90","","102.001","0.003","90","","1191.28","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H23 F O5 -","- C29 H23 F O5 -","- C58 H46 F2 O10 -","2","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0508","0.0475","","","0.1143","0.1168","","","","","","1.022","","","","has coordinates","265916","2021-06-05","17:54:50",""
"1560647","15.7092","0.0012","28.162","0.002","16.6588","0.0012","90","","108.523","0.001","90","","6988.1","0.9","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C120 H120 Ag6 N20 O40 V W12 -","- C120 H120 Ag6 N20 O40 V W12 -","- C240 H240 Ag12 N40 O80 V2 W24 -","2","1","","Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang","Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue","Journal of Solid State Chemistry","2017","246","","258","263","10.1016/j.jssc.2016.11.037","","","0.71073","MoKα","","0.0717","0.0529","","","0.1215","0.1336","","","","","","1.06","","","","has coordinates","262227","2021-02-25","10:01:54",""
"1560805","11.1415","0.0006","8.1158","0.0004","20.8793","0.0012","90","","95.962","0.005","90","","1877.74","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of Centipeda minima.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","x-ray","1.54184","CuKα","","0.0661","0.0493","","","0.127","0.1386","","","","","","0.972","","","","has coordinates","262428","2021-03-04","00:59:53",""
"1560807","7.5625","0.0004","11.8123","0.0005","21.2504","0.0011","90","","94.252","0.005","90","","1893.08","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of Centipeda minima.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","","1.54184","CuKα","","0.1291","0.1251","","","0.3358","0.3386","","","","","","1.079","","","","has coordinates,has disorder","262430","2021-03-04","01:00:34",""
"1560814","8.3482","0.0005","6.0629","0.0003","13.2849","0.0009","90","","106.642","0.002","90","","644.24","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 Cl2 N2 O -","- C10 H20 Cl2 N2 O -","- C20 H40 Cl4 N4 O2 -","2","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","0.71073","MoKα","","0.0644","0.0577","","","0.1439","0.1517","","","","","","1.077","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560842","13.1341","0.0002","5.5371","0.0001","15.0402","0.0003","90","","113.768","0.002","90","","1001.03","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 S -","- C18 H24 O7 S -","- C36 H48 O14 S2 -","2","1","","Kammer, Lisa Marie; Badir, Shorouk O.; Hu, Ren-Ming; Molander, Gary A.","Photoactive Electron Donor-Acceptor Complex Platform for Ni-Mediated C(sp3)‒C(sp2) Bond Formation","Chemical Science","2021","","","","","10.1039/D1SC00943E","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0702","0.0704","","","","","","1.049","","","","has coordinates","262779","2021-03-06","02:10:09",""
"1560944","10.8272","0.0004","9.0795","0.0003","19.3623","0.0007","90","","103.029","0.001","90","","1854.42","0.11","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O6 -","- C40 H53 N O6 -","- C80 H106 N2 O12 -","2","1","","Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi","Structural Revision of Guttiferone F and 30-epi-Cambogin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01031","","","1.54178","CuKα","","0.0398","0.035","","","0.091","0.0943","","","","","","1.099","","","","has coordinates","262891","2021-03-09","00:15:15",""
"1560945","14.5894","0.0003","11.1597","0.0003","20.4193","0.0005","90","","93.628","0.001","90","","3317.87","0.14","173","","173.01","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H50 O6 -","- C38 H50 O6 -","- C152 H200 O24 -","4","2","","Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi","Structural Revision of Guttiferone F and 30-epi-Cambogin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01031","","","1.54178","CuKα","","0.0314","0.0295","","","0.0783","0.0826","","","","","","1.075","","","","has coordinates","262892","2021-03-09","00:15:46",""
"1560948","10.8034","0.0009","13.3417","0.0009","21.6804","0.0017","90","","91.981","0.003","90","","3123.1","0.4","142","2","142","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H70 F9 N4 O15 S3 Sm -","- C45 H70 F9 N4 O15 S3 Sm -","- C90 H140 F18 N8 O30 S6 Sm2 -","2","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","0.71073","MoKα","","0.046","0.0414","","","0.0949","0.0975","","","","","","1.056","","","","has coordinates,has disorder","262899","2021-03-09","02:13:25",""
"1560950","11.2756","0.0003","18.6968","0.0005","36.0442","0.0009","90","","91.416","0.002","90","","7596.4","0.3","151","2","151","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H152 F18 N8 O30 S6 Sm2 -","- C96 H152 F18 N8 O30 S6 Sm2 -","- C192 H304 F36 N16 O60 S12 Sm4 -","2","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","1.54178","CuKα","","0.0604","0.0579","","","0.1513","0.1531","","","","","","1.045","","","","has coordinates,has disorder","262899","2021-03-09","02:13:25",""
"1560951","13.6883","0.0009","20.9229","0.0013","21.4877","0.0013","90","","103.98","0.002","90","","5971.8","0.7","148","2","148","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C88 H136 F18 N8 O30 S6 Sm2 -","- C88 H136 F18 N8 O30 S6 Sm2 -","- C176 H272 F36 N16 O60 S12 Sm4 -","2","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","0.71073","MoKα","","0.0228","0.0197","","","0.049","0.0495","","","","","","1.043","","","","has coordinates,has disorder","262899","2021-03-09","02:13:25",""
"1561024","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 I2 N2 O7 Zn2 -","- C33 H48 I2 N2 O7 Zn2 -","- C66 H96 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0448","0.0421","","","0.1101","0.1134","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:35",""
"1561032","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46 I2 N2 O7 Zn2 -","- C33 H46 I2 N2 O7 Zn2 -","- C66 H92 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0448","0.0421","","","0.1103","0.1136","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561127","5.4858","0.0004","5.4827","0.0004","7.81681","0.00015","90","","90.123","0.004","90","","235.11","0.02","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Pr W -","- Na Ni O6 Pr W -","- Na2 Ni2 O12 Pr2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.6316","6.8077","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561128","5.45987","0.0001","5.4814","0.0001","7.81308","0.00011","90","","90.164","0.002","90","","233.827","0.007","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Nd Ni O6 W -","- Na Nd Ni O6 W -","- Na2 Nd2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.7979","5.9408","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561129","5.37618","0.00008","5.48688","0.00009","7.78128","0.00012","90","","90.2441","0.0009","90","","229.534","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Gd Na Ni O6 W -","- Gd Na Ni O6 W -","- Gd2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.9224","5.3231","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561130","5.41399","0.00016","5.47939","0.00017","7.7985","0.0002","90","","90.2542","0.0018","90","","231.343","0.012","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Sm W -","- Na Ni O6 Sm W -","- Na2 Ni2 O12 Sm2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","8.0355","4.3695","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561131","5.35966","0.00004","5.48918","0.00005","7.77309","0.00006","90","","90.2581","0.0005","90","","228.683","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Tb W -","- Na Ni O6 Tb W -","- Na2 Ni2 O12 Tb2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.8667","2.8112","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561132","5.39582","0.00007","5.48536","0.00008","7.79284","0.00011","90","","90.2646","0.0008","90","","230.65","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Eu Na Ni O6 W -","- Eu Na Ni O6 W -","- Eu2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.5479","3.2417","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561133","5.5156","0.0008","5.5153","0.0008","7.83952","0.00018","90","","90.137","0.004","90","","238.48","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- La Na Ni O6 W -","- La Na Ni O6 W -","- La2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.4125","8.8474","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561134","13.465","0.0001","9.554","0.0001","15.7286","0.0001","90","","93.8204","0.0009","90","","2018.9","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 I N2 O3 -","- C20 H21 I N2 O3 -","- C80 H84 I4 N8 O12 -","4","2","","su, guanglong; Thompson, Connor J.; Yamazaki, Ken; Rozsar, Daniel; Christensen, Kirsten; Hamlin, Trevor A.; Dixon, Darren","A Bifunctional Iminophosphorane Squaramide Catalyzed Enantioselective Synthesis of Hydroquinazolines via Intramolecular Aza-Michael Reaction to α,β-Unsaturated Esters","Chemical Science","2021","","","","","10.1039/D1SC00856K","","","1.54184","CuKα","","0.0752","0.0748","","0.1746","0.173","0.1746","","","","","","1.0586","","","","has coordinates","263151","2021-03-19","02:19:09",""
"1561187","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561188","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561191","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561216","11.0762","0.0003","8.762","0.0002","11.511","0.0003","90","","92.557","0.001","90","","1116.03","0.05","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","12-epi-Salvinorin A","(2R,4aR,6aR,7R,9S,10aS,10bR)- Methyl 9-Acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro- 1H-benzo[f]isochromene-7-carboxylate","","- C23 H28 O8 -","- C23 H28 O8 -","- C46 H56 O16 -","2","1","","Béguin, Cécile; Duncan, Katharine K.; Munro, Thomas A.; Ho, Douglas M.; Xu, Wei; Liu-Chen, Lee-Yuan; Carlezon, William A.; Cohen, Bruce M.","Modification of the furan ring of salvinorin A: Identification of a selective partial agonist at the kappa opioid receptor","Bioorganic & Medicinal Chemistry","2009","17","3","1370","1380","10.1016/j.bmc.2008.12.012","","","0.71073","MoKα","","0.0406","0.0365","","","0.0963","0.0998","","","","","","1.024","","","","has coordinates,has Fobs","263255","2021-03-23","09:31:36",""
"1561278","8.587","0.0003","6.1553","0.0002","14.6215","0.0005","90","","99.114","0.003","90","","763.07","0.05","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-iodo-2-(isopropylthio)-4-(4-methoxyphenyl)pyridine","","- C15 H16 I N O S -","- C15 H16 I N O S -","- C30 H32 I2 N2 O2 S2 -","2","1","","Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul","Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes","Chemical Science","2021","","","","","10.1039/D1SC01208H","","","0.71073","MoKα","","0.0225","0.0206","","","0.043","0.0439","","","","","","1.029","","","","has coordinates","263337","2021-03-26","02:09:45",""
"1561282","8.1062","0.0001","9.0953","0.0001","8.9802","0.0001","90","","111.655","0.0005","90","","615.366","0.012","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","strontium europium aluminum silicon nitride","","","- Al Eu0.02 N7 Si4 Sr0.98 -","- Al Eu0.0175 N7 Si4 Sr0.9825 -","- Al4 Eu0.07 N28 Si16 Sr3.93 -","4","2","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis, crystal structure, and luminescence properties of a new nitride polymorph, β-Sr0.98Eu0.02AlSi4N7","Journal of Solid State Chemistry","2018","258","","664","673","10.1016/j.jssc.2017.11.037","","","0.71073","MoKα","","0.0297","0.0277","","","0.0685","0.0694","","","","","","1.076","","","","has coordinates","263352","2021-03-26","09:29:20",""
"1561308","10.648","0.0012","6.3182","0.0007","20.729","0.002","90","","95.88","0.005","90","","1387.2","0.3","193","2","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O15 -","- C26 H36 O15 -","- C52 H72 O30 -","2","1","","Sun, Meng; Guo, Brian; Xu, Mingming; Zhao, Ming; Onakpa, Monday M.; Wu, Zhenlong; Burdette, Joanna E.; Che, Chun-Tao","(9βH)- and 17-Nor-Pimaranes from Icacina oliviformis","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.9b01131","","","1.34139","GaKα","","0.1033","0.0746","","","0.2174","0.2327","","","","","","1.106","","","","has coordinates,has disorder","263375","2021-03-27","00:08:38",""
"1561338","4.9842","0.0007","5.7158","0.0009","17.259","0.003","90","","97.398","0.008","90","","487.59","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Hg2 O4 P -","- C6 Hg2 O4 P -","- C12 Hg4 O8 P2 -","2","1","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0896","0.0736","","","0.1944","0.2063","","","","","","1.077","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561437","8.557","0.002","15.121","0.004","10.374","0.003","90","","90.834","0.005","90","","1342.2","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Br3 N5 O5 Zn -","- C20 H20 Br3 N5 O5 Zn -","- C40 H40 Br6 N10 O10 Zn2 -","2","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.1371","0.0754","","","0.166","0.2134","","","","","","0.963","","","","has coordinates","263531","2021-04-01","09:45:36",""
"1561548","13.7573","0.0004","9.2613","0.0003","28.4239","0.001","90","0.003","94.438","0.003","90","0.002","3610.6","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H91 B Ge9 K N3 Si8 -","- C47 H91 B Ge9 K N3 Si8 -","- C94 H182 B2 Ge18 K2 N6 Si16 -","2","1","","Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F","FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs","Chemical Science","2021","","","","","10.1039/D1SC00811K","","","0.71073","MoKα","","0.0296","0.0253","","","0.0556","0.0574","","","","","","1.031","","","","has coordinates","263958","2021-04-08","01:09:44",""
"1561581","114.562","0.005","12.1503","0.0005","17.4275","0.0007","90","","89.999","0.001","90","","24258.4","1.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13.65 H8.24 Ga O7.82 -","- C13.6471 H6.82353 Ga O7.82353 -","- C928 H464 Ga68 O532 -","68","34","","Wang, Xiqu; Jacobson, Allan J.","Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid","Journal of Solid State Chemistry","2016","236","","230","235","10.1016/j.jssc.2015.08.014","","","1.54178","CuKα","","0.2135","0.1473","","","0.3661","0.3981","","","","","","1.006","","","","has coordinates","263985","2021-04-08","09:54:24",""
"1561582","23.903","0.002","17.1907","0.0015","25.722","0.002","90","","105.914","0.0008","90","","10164.3","1.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13.71 H6.86 O7.86 V -","- C13.7143 H6.85714 O7.85714 V -","- C384 H192 O220 V28 -","28","14","","Wang, Xiqu; Jacobson, Allan J.","Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid","Journal of Solid State Chemistry","2016","236","","230","235","10.1016/j.jssc.2015.08.014","","","0.71073","MoKα","","0.1481","0.0361","","","0.0788","0.0964","","","","","","0.96","","","","has coordinates","263985","2021-04-08","09:54:24",""
"1561637","6.0518","0.0002","27.7837","0.0007","6.9028","0.0002","90","","90.497","0.002","90","","1160.6","0.06","94.98","0.1","94.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","","- C11 H15 Br N2 O2 -","- C11 H15 Br N2 O2 -","- C44 H60 Br4 N8 O8 -","4","2","BT4109","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","IUCrData","2021","6","4","x210335","","10.1107/S2414314621003357","","x-ray","1.54184","CuKα","","0.0553","0.0546","","","0.1339","0.1343","","","","2.3377","2.3377","2.3049","","","","has coordinates,has Fobs","264042","2021-04-10","05:23:09",""
"1561655","8.9369","0.0004","8.4225","0.0004","9.6197","0.0004","90","","116.824","0.0013","90","","646.17","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Co4 H6 O15 Se4 -","- Co4 H6 O15 Se4 -","- Co8 H12 O30 Se8 -","2","1","","Poupon, Morgane; Barrier, Nicolas; Pautrat, Alain; Perez, Olivier","Evidence of magnetoelectric effect in Co4(H2O)3(SeO3)4","Journal of Solid State Chemistry","2019","280","","120962","","10.1016/j.jssc.2019.120962","","x-ray","0.71069","MoKα","","0.0466","0.0376","","","0.0559","0.0622","","","","1.31","1.31","1.38","","","","has coordinates","264050","2021-04-12","08:38:51",""
"1561679","10.2032","0.0008","16.9556","0.0013","18.7518","0.0014","90","","95.024","0.005","90","","3231.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H14 Mn2 N0 O11 -","- C29 H14 Mn2 O11 -","- C58 H28 Mn4 O22 -","2","1","","Duan, Xing; Lv, Ran; Shi, Zhenzong; Wang, Chao; Li, Hecheng; Ge, Jingyuan; Ji, Zhenguo; Yang, Yu; Li, Bin; Qian, Guodong","A new metal-organic framework with suitable pore size and ttd-type topology revealing highly selective adsorption and separation of organic dyes","Journal of Solid State Chemistry","2019","277","","159","162","10.1016/j.jssc.2019.06.012","","","0.71073","MoKα","","0.0934","0.0565","","","0.1342","0.1501","","","","","","0.965","","","","has coordinates","264079","2021-04-13","08:23:14",""
"1561711","9.2754","0.0006","6.9509","0.0004","22.0481","0.0013","90","","93.329","0.002","90","","1419.09","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 Mg N O8 -","- C32 H33 Mg N O8 -","- C64 H66 Mg2 N2 O16 -","2","1","","Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei","Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers","Journal of Solid State Chemistry","2015","231","","47","52","10.1016/j.jssc.2015.08.003","","","0.71073","MoKα","","0.0527","0.0465","","","0.1046","0.1079","","","","","","1.146","","","","has coordinates,has disorder","264121","2021-04-14","07:11:05",""
"1561712","9.3196","0.0015","7.0236","0.0011","22.067","0.004","90","","93.105","0.004","90","","1442.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 Mg N O8 -","- C32 H33 Mg N O8 -","- C64 H66 Mg2 N2 O16 -","2","1","","Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei","Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers","Journal of Solid State Chemistry","2015","231","","47","52","10.1016/j.jssc.2015.08.003","","","0.71073","MoKα","","0.0383","0.034","","","0.0824","0.0855","","","","","","1.103","","","","has coordinates,has disorder","264121","2021-04-14","07:11:08",""
"1561777","11.20173","0.00011","8.45092","0.00009","18.9038","0.0002","90","","96.6573","0.001","90","","1777.46","0.03","173","","173","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H32 B Cl2 Cu N4 P2 S -","- C35 H32 B Cl2 Cu N4 P2 S -","- C70 H64 B2 Cl4 Cu2 N8 P4 S2 -","2","1","","Yu, Xiao; Li, Xiaoyue; Cai, Zelun; Sun, Lingzhi; Wang, Chengbo; Rao, Haixia; Wei, Chen; Bian, Zuqiang; Jin, Qionghua; Liu, Zhiwei","Mechanochromic properties in a mononuclear Cu(I) complex without cuprophilic interactions.","Chemical communications (Cambridge, England)","2021","57","41","5082","5085","10.1039/d1cc01229k","","x-ray","1.54184","CuKα","","0.0517","0.0509","","","0.1366","0.1377","","","","","","1.035","","","","has coordinates","265856","2021-06-05","17:22:07",""
"1561780","8.984","0.008","17.472","0.003","12.48","0.003","90","","99.44","0.01","90","","1932.4","1.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cu N4 O6.5 -","- C17 H22 Cu N4 O6.5 -","- C68 H88 Cu4 N16 O26 -","4","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","","0.71073","MoKα","","0.1886","0.0427","","","0.0927","0.1204","","","","","","0.972","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1561853","5.9636","0.001","7.7537","0.0013","13.545","0.002","90","","97.902","0.002","90","","620.37","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Ce Cl O9 -","- C6 H6 Ce Cl O9 -","- C12 H12 Ce2 Cl2 O18 -","2","1","","Hu, Gonghao; Zhang, Haitao; Miao, Hao; Wang, Jiahong; Xu, Yan","Synthesis, structures and properties of two new chiral rare earth-organic frameworks constructed by l/d-tartaric acid","Journal of Solid State Chemistry","2015","229","","208","212","10.1016/j.jssc.2015.05.025","","","0.71073","MoKα","","0.0494","0.0485","","","0.1571","0.1581","","","","","","1.197","","","","has coordinates","264240","2021-04-16","08:33:00",""
"1561854","5.9625","0.0015","7.7353","0.0019","13.482","0.003","90","","97.483","0.003","90","","616.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2.4 H4.8 Ce0.4 Cl0.4 O3.6 -","- C2.4 H2.4 Ce0.4 Cl0.4 O3.6 -","- C12 H12 Ce2 Cl2 O18 -","5","2.5","","Hu, Gonghao; Zhang, Haitao; Miao, Hao; Wang, Jiahong; Xu, Yan","Synthesis, structures and properties of two new chiral rare earth-organic frameworks constructed by l/d-tartaric acid","Journal of Solid State Chemistry","2015","229","","208","212","10.1016/j.jssc.2015.05.025","","","0.71073","MoKα","","0.0544","0.0521","","","0.1393","0.1417","","","","","","1.064","","","","has coordinates","264240","2021-04-16","08:33:01",""
"1561884","9.459","0.0012","11.1548","0.0014","10.5292","0.0013","90","","103.13","0.002","90","","1081.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N3 O2 Pd -","- C23 H19 Cl2 N3 O2 Pd -","- C46 H38 Cl4 N6 O4 Pd2 -","2","1","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.0276","0.0241","","","0.0502","0.0524","","","","","","1.022","","","","has coordinates","264290","2021-04-19","07:01:13",""
"1561888","6.8741","0.0018","16.612","0.005","9.609","0.003","90","","93.585","0.004","90","","1095.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C48 H44 N8 O8 Zn2 -","2","1","","Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu","Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene","Journal of Solid State Chemistry","2015","228","","124","130","10.1016/j.jssc.2015.04.009","","","0.71073","MoKα","","0.0574","0.0448","","","0.1163","0.1825","","","","","","1.194","","","","has coordinates","264293","2021-04-19","07:21:34",""
"1561889","6.8694","0.0014","16.599","0.004","9.5874","0.0019","90","","93.485","0.003","90","","1091.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C48 H44 N8 O8 Zn2 -","2","1","","Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu","Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene","Journal of Solid State Chemistry","2015","228","","124","130","10.1016/j.jssc.2015.04.009","","","0.71073","MoKα","","0.0505","0.0429","","","0.1132","0.143","","","","","","1.074","","","","has coordinates","264294","2021-04-19","07:22:03",""
"1561905","5.8376","0.0004","26.6895","0.0012","5.8393","0.0003","90","","118.843","0.0015","90","","796.92","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","barium europium aluminum silicon nitride","0.99barium 0.01europium trialuminum tetrasilicon nonanitrogen","","- Al3 Ba0.99 Eu0.01 N9 Si4 -","- Al3.00015 Ba0.99 Eu0.01 N9 Si3.99985 -","- Al12.0006 Ba3.96 Eu0.04 N36 Si15.9994 -","4","2","","Yamane, Hisanori; Yoshimura, Fumitaka","Synthesis, crystal structure and photoluminescence of (Ba0.99Eu0.01)Al3Si4N9","Journal of Solid State Chemistry","2015","228","","258","265","10.1016/j.jssc.2015.04.046","","","0.71075","MoKα","","0.1266","0.0922","","","0.1991","0.2323","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1562057","9.2424","0.0003","8.7534","0.0003","15.2178","0.0004","90","","96.784","0.001","90","","1222.54","0.07","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 O5 S Si -","- C23 H30 O5 S Si -","- C46 H60 O10 S2 Si2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0244","0.024","","","0.0656","0.0659","","","","","","1.071","","","","has coordinates","268620","2021-09-06","10:02:30",""
"1562058","11.9751","0.0005","20.8149","0.0009","12.9319","0.0006","90","","106.231","0.001","90","","3094.9","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Y -","- C49 H78 F9 N4 O17 S3 Y -","- C98 H156 F18 N8 O34 S6 Y2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0267","0.0265","","","0.0701","0.0702","","","","","","1.05","","","","has coordinates","268620","2021-09-06","10:02:31",""
"1562115","10.0914","0.0001","9.9851","0.0001","10.5204","0.0001","90","","92.72","0.001","90","","1058.88","0.018","123","2","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21.53 N3 O7 P -","- C18 H21.53 N3 O7 P -","- C36 H43.06 N6 O14 P2 -","2","1","","Kaasik, Mikk; Martõnova, Jevgenija; Erkman, Kristin; Metsala, Andrus; Järving, Ivar; Kanger, Tõnis","Enantioselective Michael addition to vinyl phosphonates via hydrogen bond-enhanced halogen bond catalysis.","Chemical science","2021","12","21","7561","7568","10.1039/d1sc01029h","","x-ray","1.54184","CuKα","","0.0351","0.0351","","","0.094","0.094","","","","","","1.046","","","","has coordinates,has disorder","268625","2021-09-06","10:07:00",""
"1562116","26.3005","0.0016","46.071","0.003","30.4842","0.0018","90","","91.29","0.004","90","","36928","4","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C1108 H1712 B6 Cs6 F144 N218 O180.5 Si80 -","2","1","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.1252","0.1013","","","0.2578","0.2823","","","","","","1.04","","","","has coordinates,has disorder","268617","2021-09-06","09:56:25",""
"1562123","11.3001","0.0003","50.4909","0.0013","17.6766","0.0004","90","","100.564","0.002","90","","9914.5","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H59 Au F6 N5 O2 P -","- C45 H59 Au F6 N5 O2 P -","- C360 H472 Au8 F48 N40 O16 P8 -","8","4","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs via post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0922","0.0615","","","0.1375","0.1499","","","","","","1.032","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562147","9.873","0.009","13.949","0.014","15.792","0.015","90","","95.248","0.013","90","","2166","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H52 Cd2 N12 O14 -","- C36 H52 Cd2 N12 O14 -","- C72 H104 Cd4 N24 O28 -","2","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.1165","0.0672","","","0.1341","0.1569","","","","","","1.033","","","","has coordinates","264579","2021-04-27","08:17:57",""
"1562171","10.6905","0.0002","12.9017","0.0001","11.275","0.0001","90","","99.604","0.001","90","","1533.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.039","0.0372","","","0.1012","0.1026","","","","","","1.059","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562173","8.7363","0.0001","7.5297","0.0001","13.3695","0.0002","90","","90.32","0.001","90","","879.45","0.02","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0687","0.0688","","","","","","1.035","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562174","8.1066","0.0001","17.4846","0.0002","11.7095","0.0001","90","","90.935","0.001","90","","1659.49","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1165","0.1174","","","","","","1.052","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562175","6.8205","0.0002","17.9401","0.0003","6.9699","0.0002","90","","116.508","0.003","90","","763.18","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0997","0.1007","","","","","","1.026","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562176","8.0972","0.0001","7.0855","0.0001","13.1638","0.0002","90","","107.604","0.001","90","","719.875","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0268","0.0267","","","0.0708","0.0709","","","","","","1.025","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562177","11.3066","0.0001","8.3782","0.0001","20.2485","0.0002","90","","96.507","0.001","90","","1905.76","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H52 O8 -","- C46 H52 O8 -","- C92 H104 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0542","0.0527","","","0.1328","0.1344","","","","","","1.048","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562178","9.2554","0.0002","19.3711","0.0003","10.2742","0.0002","90","","115.9","0.002","90","","1657.02","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.1018","0.1025","","","","","","1.061","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562179","10.533","0.0001","32.5011","0.0002","12.4209","0.0001","90","","111.317","0.001","90","","3961.18","0.06","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C78 H43 F48 O8 -","- C78 H43 F48 O8 -","- C156 H86 F96 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters via an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.046","0.0454","","","0.1127","0.1131","","","","","","1.024","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562232","9.954","0.002","14.826","0.003","15.404","0.003","90","","94.53","0.03","90","","2266.2","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O5 S -","- C25 H27 N O5 S -","- C100 H108 N4 O20 S4 -","4","2","","Bin, Huai-Yu; Cheng, Li; Wu, Xiong; Zhu, Chang-Liang; Yang, Xiao-Hui; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Exocyclic γ,δ-Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution","Chemical Science","2021","","","","","10.1039/D1SC02044G","","","0.71073","MoKα","","0.0568","0.0465","","","0.1097","0.1169","","","","","","0.994","","","","has coordinates","264656","2021-04-29","01:01:22",""
"1562234","10.4741","0.0001","10.4866","0.0001","13.7315","0.0001","90","","99.081","0.001","90","","1489.33","0.02","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Tak, Raj K.; Amemiya, Fuyuki; Noda, Hidetoshi; Shibasaki, Masakatsu","Generation and application of Cu-bound alkyl nitrene for the catalyst-controlled synthesis of cyclic β-amino acids","Chemical Science","2021","","","","","10.1039/D1SC01419F","","x-ray","1.54184","CuKα","","0.0292","0.0287","","","0.0743","0.0746","","","","","","1.038","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562283","11.099","0.005","8.413","0.003","11.385","0.005","90","","115.618","0.006","90","","958.6","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Co N2 O8 -","- C18 H12 Co N2 O8 -","- C36 H24 Co2 N4 O16 -","2","1","","Li, Xiu-Hua; Zhang, Qi; Hu, Ping","A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism","Journal of Solid State Chemistry","2014","218","","151","154","10.1016/j.jssc.2014.06.024","","","0.71073","MoKα","","0.0423","0.0394","","","0.1083","0.1105","","","","","","1.033","","","","has coordinates","264695","2021-04-29","09:28:07",""
"1562314","8.4254","0.0004","11.3038","0.0006","15.2973","0.0008","90","","100.063","0.005","90","","1434.49","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H36 N8 Sn Te4 Zn2 -","- C12 H36 N8 Sn Te4 Zn2 -","- C24 H72 N16 Sn2 Te8 Zn4 -","2","1","","Lu, Jialin; Wang, Fang; Shen, Yali; Tang, Chunying; Zhang, Yong; Jia, Dingxian","New μ-SnTe4 and μ-Sn2Te6 ligands to transition metal: Solvothermal syntheses and characterizations of zinc tellurostannates containing polyamine ligands","Journal of Solid State Chemistry","2014","216","","65","72","10.1016/j.jssc.2014.05.002","","","0.71073","MoKα","","0.0723","0.0491","","","0.0679","0.0749","","","","","","0.928","","","","has coordinates","264722","2021-04-30","08:58:49",""
"1562342","14.34057","0.00014","17.69858","0.00018","22.05","0.00018","90","","91.5214","0.0008","90","","5594.49","0.09","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H184 N2 O26 Si6 U2 -","- C80 H184 N2 O26 Si6 U2 -","- C160 H368 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","1.54184","CuKα","","0.0393","0.0382","","","0.094","0.0949","","","","","","1.022","","","","has coordinates,has disorder","264743","2021-05-01","01:46:37",""
"1562343","14.1108","0.0003","17.5538","0.0003","22.2467","0.0004","90","","91.4964","0.0017","90","","5508.59","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H170 N2 O25 Si6 U2 -","- C76 H170 N2 O25 Si6 U2 -","- C152 H340 N4 O50 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","0.71073","MoKα","","0.0782","0.0697","","","0.1877","0.1974","","","","","","1.014","","","","has coordinates","264743","2021-05-01","01:46:38",""
"1562344","13.9014","0.0003","18.1586","0.0005","22.0984","0.0005","90","","92.822","0.002","90","","5571.5","0.2","140","0.1","140","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H162 I K2 N2 O24 Si6 U2 -","- C72 H162 I1.002 K2 N2.004 O24 Si6 U2 -","- C144 H324 I2.004 K4 N4.008 O48 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","1.54184","CuKα","","0.057","0.0481","","","0.12","0.1274","","","","","","1.043","","","","has coordinates,has disorder","264743","2021-05-01","01:46:38",""
"1562351","10.3283","0.0004","9.4323","0.0004","17.9581","0.0008","90","","90.172","0.002","90","","1749.46","0.13","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H56 O10 -","- C38 H56 O10 -","- C76 H112 O20 -","2","1","","Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang","Penitol A and Penicitols E-I: Citrinin Derivatives from Penicillium citrinum and the Structure Revision of Previously Proposed Analogues.","Journal of natural products","2021","84","4","1345","1352","10.1021/acs.jnatprod.1c00082","","","1.54178","CuKα","","0.0599","0.0548","","","0.1511","0.1567","","","","","","1.03","","","","has coordinates,has disorder","264811","2021-05-03","23:00:20",""
"1562363","10.5345","0.0001","9.9038","0.0001","12.7437","0.0001","90","","104.117","0.0004","90","","1289.42","0.02","0","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O2 -","- C30 H30 Br N O2 -","- C60 H60 Br2 N2 O4 -","2","1","","Marfo-OWUSU, Emmanuel; THOMPSON, Amber L.","The Crystal Structure of an Inclusion Complex of Benzyltrimethylammonium Bromide with (R)-(+)-1,1′-binaphthalene-2,2′-diol","X-ray Structure Analysis Online","2021","37","0","19","20","10.2116/xraystruct.37.19","","","0.71073","MoKα","","0.0532","0.0383","","0.0583","0.049","0.0465","","","","","","1.0868","","","","has coordinates","264970","2021-05-05","09:11:30",""
"1562381","5.34558","0.00006","5.55762","0.00007","7.87444","0.00007","90","","90.2851","0.0007","90","","233.936","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Lu Mn Na O6 W -","- Lu Mn Na O6 W -","- Lu2 Mn2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","12.3278","10.431","","","","","","","has coordinates","265759","2021-06-04","01:03:15",""
"1562382","5.30219","0.00008","5.50632","0.00008","7.76771","0.00011","90","","90.2633","0.0013","90","","226.78","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Lu Na O6 W -","- Co Lu Na O6 W -","- Co2 Lu2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.3328","3.8787","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562383","5.32174","0.00003","5.51366","0.00003","7.77534","0.00003","90","","90.2722","0.0004","90","","228.144","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 Tm W -","- Co Na O6 Tm W -","- Co2 Na2 O12 Tm2 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","9.2904","4.8644","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562384","5.31027","0.00006","5.51156","0.00007","7.7711","0.00007","90","","90.2794","0.0007","90","","227.441","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 W Yb -","- Co Na O6 W Yb -","- Co2 Na2 O12 W2 Yb2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","13.469","5.5987","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562385","5.33407","0.00002","5.51959","0.00002","7.78263","0.00002","90","","90.2676","0.0003","90","","229.133","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Er Na O6 W -","- Co Er Na O6 W -","- Co2 Er2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","7.455","3.1487","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562423","18.8533","0.0006","7.0067","0.0002","21.3135","0.0007","90","","98.186","0.001","90","","2786.81","0.15","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O10 -","- C29 H42 O10 -","- C116 H168 O40 -","4","2","","Stierle, Andrea A.; Stierle, Donald B.; Decato, Daniel; Alverson, Jeremy; Apedaile, Lily","Cryptic Biosynthesis of the Berkeleypenostatins from Coculture of Extremophilic Penicillium sp.","Journal of natural products","2021","84","5","1656","1665","10.1021/acs.jnatprod.1c00248","","x-ray","1.54178","CuKα","","0.041","0.0342","","","0.0794","0.0831","","","","","","1.059","","","","has coordinates","265756","2021-06-04","01:01:03",""
"1562464","6.0726","0.0003","9.9182","0.0005","26.154","0.0012","90","","93.362","0.0015","90","","1572.53","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CD-1-120","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","2","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","0.71073","MoKα","","0.0569","0.0419","","","0.0823","0.0882","","","","","","1.026","","","","has coordinates","265077","2021-05-11","00:59:36",""
"1562540","14.195","0.0011","8.5829","0.0004","15.3489","0.001","90","","108.801","0.008","90","","1770.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of Salvia deserta Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54184","CuKα","","0.0703","0.0595","","","0.1577","0.1884","","","","","","1.151","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562545","7.1585","0.0003","16.5713","0.0008","10.8248","0.0004","90","","102.657","0.002","90","","1252.89","0.09","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H38 O10 -","- C27 H38 O10 -","- C54 H76 O20 -","2","1","","Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.","Cytotoxic Compounds from the Stem Bark of Two subsp. of Bersama abyssinica.","Journal of natural products","2021","84","5","1453","1458","10.1021/acs.jnatprod.0c01141","","x-ray","1.54178","CuKα","","0.025","0.025","","","0.0697","0.0698","","","","","","1.044","","","","has coordinates","265758","2021-06-04","01:02:16",""
"1562546","12.1262","0.0008","14.4026","0.0007","13.3342","0.0008","90","","105.607","0.004","90","","2242.9","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","2","","Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.","Cytotoxic Compounds from the Stem Bark of Two subsp. of Bersama abyssinica.","Journal of natural products","2021","84","5","1453","1458","10.1021/acs.jnatprod.0c01141","","x-ray","1.54178","CuKα","","0.0483","0.0428","","","0.1056","0.1108","","","","","","1.033","","","","has coordinates","265758","2021-06-04","01:02:16",""
"1562552","15.9444","0.0003","19.642","0.0003","19.6889","0.0003","90","","90.009","0.001","90","","6166.17","0.18","120","0.5","120","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H52 N2 Zn -","- C33 H52 N2 Zn -","- C264 H416 N16 Zn8 -","8","4","","Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Zinc catalysed electrophilic C-H borylation of heteroarenes","Chemical Science","2021","","","","","10.1039/D1SC01883C","","x-ray","0.71073","MoKα","","0.0474","0.0389","","","0.0647","0.0675","","","","","","1.026","","","","has coordinates,has disorder","265202","2021-05-14","01:08:04",""
"1562687","14.159","0.007","23.995","0.013","14.229","0.007","90","","104.068","0.014","90","","4689","4","170","2","169.96","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H60 Br6 N12 O15 -","- C90 H60 Br6 N12 O15 -","- C180 H120 Br12 N24 O30 -","2","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.1844","0.087","","","0.2093","0.2689","","","","","","0.961","","","","has coordinates","267039","2021-07-05","16:22:29",""
"1562743","5.9932","0.0002","14.6831","0.0007","19.3382","0.0007","90","","94.406","0.002","90","","1696.71","0.12","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","2","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from Artemisia hedinii.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0442","0.0378","","","0.0892","0.0938","","","","","","1.049","","","","has coordinates","265757","2021-06-04","01:02:04",""
"1562748","6.3429","0.0003","12.3949","0.0007","8.7256","0.0005","90","","99.915","0.002","90","","675.76","0.06","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from Artemisia hedinii.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0352","0.0349","","","0.0943","0.0946","","","","","","1.129","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562758","6.6162","0.0004","6.387","0.0004","9.5572","0.0005","90","","103.379","0.004","90","","392.9","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- As Cu4 K S4 -","- As Cu4 K S4 -","- As2 Cu8 K2 S8 -","2","1","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Synthesis, structure and characterization of two new copper(І)-thioarsenates (ІІІ) constructed by the [AsS3]3− and CuSx units","Journal of Solid State Chemistry","2013","198","","289","294","10.1016/j.jssc.2012.08.039","","","0.71073","MoKα","","0.0419","0.0413","","","0.1055","0.1061","","","","","","1.054","","","","has coordinates","265403","2021-05-21","07:15:09",""
"1562813","10.4771","0.0007","9.1278","0.0007","15.7435","0.0012","90","","102.494","0.007","90","","1469.94","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O7 -","- C31 H40 O7 -","- C62 H80 O14 -","2","1","","Xiao, Yao; Wang, Neng; Wan, Lin-Xi; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng","Iron-Catalyzed Skeletal Conversion of Lathyrane to Premyrsinane Euphorbia Diterpenes and Their Cytotoxic Activities","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01363","","x-ray","0.71073","MoKα","","0.0869","0.0534","","","0.1118","0.1298","","","","","","1.037","","","","has coordinates,has disorder","265438","2021-05-21","23:09:09",""
"1562887","11.2412","0.0002","6.9608","0.0001","15.8191","0.0004","90","","96.779","0.002","90","","1229.16","0.04","99.9","0.9","99.9","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O3 -","- C28 H40 O3 -","- C56 H80 O6 -","2","1","","Zhang, Wenge; Lu, Xiuxiang; Huo, Luqiong; Zhang, Sha; Chen, Yan; Zou, Zhenxing; Tan, Haibo","Sesquiterpenes and Steroids from an Endophytic Eutypella scoparia.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01167","","x-ray","1.54184","CuKα","","0.0488","0.0427","","","0.1097","0.1139","","","","","","1.043","","","","has coordinates","265507","2021-05-26","23:09:22",""
"1562888","11.9979","0.0001","7.3887","0.0001","16.0537","0.0002","90","","102.2","0.001","90","","1391","0.03","106","8","106","8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O2 -","- C31 H50 O2 -","- C62 H100 O4 -","2","1","","Zhang, Wenge; Lu, Xiuxiang; Huo, Luqiong; Zhang, Sha; Chen, Yan; Zou, Zhenxing; Tan, Haibo","Sesquiterpenes and Steroids from an Endophytic Eutypella scoparia.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01167","","x-ray","1.54184","CuKα","","0.0387","0.0357","","","0.0914","0.093","","","","","","1.051","","","","has coordinates","265508","2021-05-26","23:09:44",""
"1562890","7.5511","0.0003","14.0211","0.0005","7.6587","0.0003","90","","114.495","0.001","90","","737.88","0.05","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O6 -","- C15 H24 O6 -","- C30 H48 O12 -","2","1","","Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun","Terpenoids from the Marine-Derived Fungus Aspergillus sp. RR-YLW-12, Associated with the Red Alga Rhodomela confervoides.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00021","","","1.54178","CuKα","","0.0282","0.028","","","0.0811","0.0813","","","","","","1","","","","has coordinates","265510","2021-05-26","23:10:29",""
"1562891","8.548","0.004","11.424","0.003","12.563","0.003","90","","91.3","0.03","90","","1226.5","0.7","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O9 -","- C26 H32 O9 -","- C52 H64 O18 -","2","1","","Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun","Terpenoids from the Marine-Derived Fungus Aspergillus sp. RR-YLW-12, Associated with the Red Alga Rhodomela confervoides.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00021","","","1.54178","CuKα","","0.1229","0.0407","","","0.117","0.1726","","","","","","1.23","","","","has coordinates","265511","2021-05-26","23:10:51",""
"1562896","4.6413","0.0001","11.0456","0.0003","13.6158","0.0004","90","","96.422","0.002","90","","693.65","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","","Nelson, Eryn; Formen, Jeffrey S. S. K.; Wolf, Christian","Rapid Organocatalytic Chirality Analysis of Amines, Amino Acids, Alcohols, Amino Alcohols and Diols with Achiral Iso(thio)cyanate Probes","Chemical Science","2021","","","","","10.1039/D1SC02061G","","","1.54178","CuKα","","0.0471","0.0459","","","0.1259","0.1272","","","","","","1.065","","","","has coordinates","265514","2021-05-27","01:02:11",""
"1562961","6.2592","0.0002","15.715","0.0003","6.5644","0.0002","90","","105.862","0.002","90","","621.11","0.03","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H14 Gd N O10 S -","- C6 H8 Gd N O10 S -","- C12 H16 Gd2 N2 O20 S2 -","2","1","","Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo","N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies","Journal of Solid State Chemistry","2012","192","","284","288","10.1016/j.jssc.2012.04.031","","","0.71073","MoKα","","0.0218","0.0216","","","0.0534","0.0535","","","","","","1.064","","","","has coordinates","265584","2021-05-28","09:55:24",""
"1562966","12.9023","0.0017","12.742","0.0014","18.9596","0.0019","90","","103.842","0.004","90","","3026.5","0.6","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 N3 O4 -","- C21 H21 Cl2 N3 O4 -","- C126 H126 Cl12 N18 O24 -","6","3","","Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao","Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00398","","","0.71073","MoKα","","0.1713","0.0998","","","0.2061","0.2543","","","","","","1.075","","","","has coordinates,has disorder","265601","2021-05-28","23:26:19",""
"1563031","7.0087","0.0002","9.2269","0.0003","10.1289","0.0003","90","","107.401","0.001","90","","625.04","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- In K2 Li Mo3 O12 -","- In K2 Li Mo3 O12 -","- In2 K4 Li2 Mo6 O24 -","2","1","","Khal-baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.","Phase formation in the Li2MoO4‒K2MoO4‒In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3","Journal of Solid State Chemistry","2012","187","","276","281","10.1016/j.jssc.2012.01.010","","","0.71073","MoKα","","0.0306","0.028","","","0.0522","0.0532","","","","","","1.033","","","","has coordinates","265647","2021-06-01","08:50:47",""
"1563227","13.3081","0.0014","6.8904","0.0007","13.4554","0.0013","90","","110.873","0.007","90","","1152.9","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cu N2 O7 -","- C24 H22 Cu N2 O7 -","- C48 H44 Cu2 N4 O14 -","2","1","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.0519","0.0427","","","0.1022","0.1073","","","","","","1.033","","","","has coordinates","266265","2021-06-08","09:38:04",""
"1563276","9.056","0.0006","14.1567","0.001","10.2238","0.0007","90","","107.808","0.001","90","","1247.92","0.15","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cu I3 N3 O8 -","- C19 H20 Cu I3 N3 O8 -","- C38 H40 Cu2 I6 N6 O16 -","2","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Yuan, Li-Min; Deng, Ye; Diao, Guo-Wang; Ng, Seik Weng","Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid","Journal of Solid State Chemistry","2011","184","5","1263","1272","10.1016/j.jssc.2011.03.050","","","0.71073","MoKα","","0.0734","0.0586","","","0.1372","0.1452","","","","","","0.936","","","","has coordinates","266349","2021-06-10","07:28:33",""
"1563280","4.8417","0.0002","10.8136","0.0006","8.463","0.0005","90","","91.413","0.004","90","","442.96","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 K O8 -","- C6 H9 K O8 -","- C12 H18 K2 O16 -","2","1","","Lv, Yao-Kang; Feng, Yun-Long; Liu, Ji-Wei; Jiang, Zhan-Guo","Two new frameworks of potassium saccharate obtained from acidic and alkaline solution","Journal of Solid State Chemistry","2011","184","5","1339","1345","10.1016/j.jssc.2011.03.042","","","0.71073","MoKα","","0.0248","0.0238","","","0.0642","0.0657","","","","","","1","","","","has coordinates","266350","2021-06-10","07:38:14",""
"1563320","7.2647","0.0003","19.3763","0.0009","17.386","0.0006","90","","100.473","0.0019","90","","2406.53","0.17","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","SIT_117_01_150K","","","- C23 H26 Cl F6 N2 O Os P -","- C23 H26 Cl F6 N2 O Os P -","- C92 H104 Cl4 F24 N8 O4 Os4 P4 -","4","2","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0321","0.0268","","","0.0421","0.0445","","","","","","1.034","","","","has coordinates","266372","2021-06-11","01:02:14",""
"1563324","10.0552","0.0003","11.2003","0.0003","13.0423","0.0004","90","","96.916","0.001","90","","1458.15","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","SIT_99_150K","","","- C15 H16 Cl N O3 Os -","- C15 H16 Cl N O3 Os -","- C60 H64 Cl4 N4 O12 Os4 -","4","2","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0313","0.0257","","","0.0496","0.0673","","","","","","1.032","","","","has coordinates","266372","2021-06-11","01:02:15",""
"1563382","7.237","0.0002","7.7133","0.0002","21.8079","0.0005","90","","96.073","0.001","90","","1210.51","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- As Ba H O4 -","- As Ba H O4 -","- As12 Ba12 H12 O48 -","12","6","","Đorđević, Tamara; Karanović, Ljiljana","A new polymorph of Ba(AsO3OH): Synthesis, crystal structure and vibrational spectra","Journal of Solid State Chemistry","2010","183","12","2835","2844","10.1016/j.jssc.2010.09.027","","","0.71073","MoKα","","0.0252","0.0242","","","0.0671","0.0676","","","","","","1.048","","","","has coordinates","266425","2021-06-14","07:46:54",""
"1563383","7.2149","0.0014","7.7028","0.0015","21.739","0.004","90","","95.95","0.03","90","","1201.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- As Ba H O4 -","- As Ba H O4 -","- As12 Ba12 H12 O48 -","12","6","","Đorđević, Tamara; Karanović, Ljiljana","A new polymorph of Ba(AsO3OH): Synthesis, crystal structure and vibrational spectra","Journal of Solid State Chemistry","2010","183","12","2835","2844","10.1016/j.jssc.2010.09.027","","","0.71073","MoKα","","0.0354","0.0325","","","0.0828","0.085","","","","","","1.034","","","","has coordinates","266425","2021-06-14","07:46:54",""
"1563677","5.64684","0.00018","5.62268","0.00014","30.1035","0.0011","90","","95.117","0.003","90","","951.99","0.05","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H33 F5 -","- C19 H33 F5 -","- C38 H66 F10 -","2","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","1.54184","CuKα","","0.0476","0.0427","","","0.1206","0.1233","","","","","","1.091","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563693","6.428","0.006","6.641","0.006","8.612","0.008","90","","108.07","0.02","90","","349.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","KYGeS4","","- Ge K S4 Y -","- Ge K S4 Y -","- Ge2 K2 S8 Y2 -","2","1","","Mei, Dajiang; Cao, Wangzhu; Wang, Naizheng; Jiang, Xingxing; Zhao, Jun; Wang, Weikang; Dang, Junhui; Zhang, Shiyan; Wu, Yuandong; Rao, Pinhua; Lin, Zheshuai","Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering","Materials Horizons","2021","8","8","2330","2334","10.1039/D1MH00562F","","","0.71073","MoKα","","0.0158","0.0152","","","0.0339","0.0341","","","","","","0.907","","","","has coordinates","268968","2021-09-06","12:42:09",""
"1563712","9.5141","0.0005","30.3107","0.0017","11.2831","0.0006","90","","114.793","0.003","90","","2953.9","0.3","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H34 Cl N7 O7 S -","- C26 H34 Cl N7 O7 S -","- C104 H136 Cl4 N28 O28 S4 -","4","2","","Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Insight into the Formation of Heteromolecular Hydrogen Bonds between Dasatinib and GRAS Molecules","Organic Process Research & Development","2021","","","","","10.1021/acs.oprd.0c00549","","","1.54178","CuKα","","0.0986","0.0668","","","0.165","0.187","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563713","15.9963","0.0006","29.4039","0.0011","16.5323","0.0006","90","","107.526","0.0008","90","","7415.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H168 Ag20 O24 P12 Pt Se24 -","- C72 H168 Ag20 O24 P12 Pt Se24 -","- C144 H336 Ag40 O48 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.0428","0.038","","","0.0957","0.0989","","","","","","1.053","","","","has coordinates","268831","2021-09-06","11:50:02",""
"1563741","8.91054","0.00005","7.54833","0.00005","18.54365","0.00011","90","","91.3759","0.0005","90","","1246.88","0.013","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C58 H68 N4 O4 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0267","0.0264","","","0.0731","0.0734","","","","","","1.042","","","","has coordinates","266746","2021-06-28","23:08:29",""
"1563742","10.8479","0.0002","21.3426","0.0002","13.0062","0.0002","90","","110.221","0.002","90","","2825.63","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","2","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0291","0.028","","","0.0701","0.0708","","","","","","0.954","","","","has coordinates","266747","2021-06-28","23:09:10",""
"1563743","11.5437","0.0002","9.9455","0.0002","11.8095","0.0002","90","","102.819","0.001","90","","1322.03","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 N2 O4 -","- C30 H40 N2 O4 -","- C60 H80 N4 O8 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0361","0.035","","","0.0928","0.0935","","","","","","1.064","","","","has coordinates","266748","2021-06-28","23:09:41",""
"1563745","9.0722","0.0003","7.645","0.0003","18.076","0.0006","90","","92.416","0.002","90","","1252.58","0.08","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N2 O2 -","- C29 H36 N2 O2 -","- C58 H72 N4 O4 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","","1.54178","CuKα","","0.0507","0.0486","","","0.1213","0.1234","","","","","","1.073","","","","has coordinates","266750","2021-06-28","23:10:27",""
"1563747","16.8156","0.0002","9.9046","0.0001","17.1204","0.0002","90","","98.632","0.001","90","","2819.13","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H76 N4 O10 -","- C61 H76 N4 O10 -","- C122 H152 N8 O20 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54178","CuKα","","0.0518","0.0467","","","0.1267","0.1309","","","","","","1.08","","","","has coordinates,has disorder","266752","2021-06-28","23:11:50",""
"1563814","6.338","0.0003","27.3588","0.0013","7.5392","0.0004","90","","110.458","0.002","90","","1224.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 O7 Si -","- C24 H34 O7 Si -","- C48 H68 O14 Si2 -","2","1","","Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun","Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine","Chemical Science","2021","","","","","10.1039/D1SC02919C","","","0.71073","MoKα","","0.0453","0.0374","","","0.0862","0.0915","","","","","","1.02","","","","has coordinates,has disorder","266827","2021-07-01","01:14:48",""
"1563826","9.6877","0.0006","11.1402","0.0005","11.1952","0.0007","90","","95.026","0.005","90","","1203.57","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 Sn -","- C28 H25 N O3 Sn -","- C56 H50 N2 O6 Sn2 -","2","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0282","0.0252","","","0.0582","0.0607","","","","","","1.213","","","","has coordinates","266852","2021-07-01","07:16:34",""
"1563833","11.1573","0.0006","10.9549","0.0004","12.3044","0.0006","90","","110.141","0.006","90","","1411.96","0.13","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Mo N O5 -","- C12 H17 Mo N O5 -","- C48 H68 Mo4 N4 O20 -","4","2","","Romanowski, Grzegorz; Kira, Jaromir; Wera, Michał","Synthesis, structure, spectroscopic characterization and catalytic activity of chiral dioxidomolybdenum(VI) Schiff base complexes derived from R(−)-2-amino-1-propanol","Inorganica Chimica Acta","2018","483","","156","164","10.1016/j.ica.2018.08.022","","","0.71073","MoKα","","0.0336","0.0309","","","0.0778","0.08","","","","","","1.042","","","","has coordinates","266860","2021-07-01","08:23:53",""
"1563865","14.086","0.003","13.495","0.003","22.525","0.005","90","","106.657","0.009","90","","4102.1","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H37 Cl O2 -","- C58 H37 Cl O2 -","- C232 H148 Cl4 O8 -","4","2","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","1.54184","CuKα","","0.0659","0.0502","","","0.117","0.1263","","","","","","1.039","","","","has coordinates","266881","2021-07-02","01:04:15",""
"1563869","10.9426","0.0002","13.3077","0.0003","11.2608","0.0003","90","","97.709","0.002","90","","1624.99","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H42 Br2 Cl2 N2 Ni -","- C33 H42 Br2 Cl2 N2 Ni -","- C66 H84 Br4 Cl4 N4 Ni2 -","2","1","","Viganò, Marta; Ferretti, Francesco; Ragaini, Fabio; Macchi, Piero","A chiral ligand accessible in one step: Synthesis of bis-((R)-(+)-bornyl)acenaphthenequinonediimine and of its zinc and nickel complexes","Inorganica Chimica Acta","2018","483","","305","309","10.1016/j.ica.2018.08.049","","","0.71069","MoKα","","0.0841","0.0661","","","0.164","0.182","","","","","","1.017","","","","has coordinates","266889","2021-07-02","07:16:11",""
"1563892","16.0888","0.0005","11.0908","0.0004","20.9833","0.0007","90","","93.213","0.002","90","","3738.3","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H54 N12 O12 P3 Sm -","- C18 H54 N12 O12 P3 Sm -","- C72 H216 N48 O48 P12 Sm4 -","4","2","","Bukvetskii, B.V.; Mirochnik, A.G.; Zhikhareva, P.A.","Structural model for intrinsic mechanoluminescence of Sm(III) complex","Inorganica Chimica Acta","2018","483","","565","570","10.1016/j.ica.2018.09.010","","x-ray","0.71073","MoKα","","0.0211","0.0201","","","0.0461","0.0465","","","","","","1.024","","","","has coordinates,has disorder","266905","2021-07-02","09:43:02",""
"1563895","12.6469","0.0007","7.5803","0.0004","14.6103","0.0008","90","","109.496","0.002","90","","1320.34","0.13","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H30 Mn O7 -","- C29 H30 Mn O7 -","- C58 H60 Mn2 O14 -","2","1","","Tarushi, Alketa; Zampakou, Marianthi; Perontsis, Spyros; Lafazanis, Konstantinos; Pantazaki, Anastasia A.; Hatzidimitriou, Antonios G.; Geromichalos, George D.; Psomas, George","Manganese(II) complexes of tolfenamic acid or naproxen in polymeric structures or encapsulated in [15-MC-5] manganese(III) metallacrowns: Structure and biological activity","Inorganica Chimica Acta","2018","483","","579","592","10.1016/j.ica.2018.09.001","","","0.71073","MoKα","","0.0545","0.0358","","0.0715","0.0637","0.0637","","","","","","1","","","","has coordinates","266906","2021-07-02","09:50:37",""
"1563906","9.1212","0.0005","8.4842","0.0004","20.1475","0.001","90","","90.27","0.002","90","","1559.12","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","2","","Trost, Barry M.; Jiao, Zhiwei; Gholami, Hadi","Palladium-Catalyzed Asymmetric Allylic Alkylation (AAA) with Alkyl Sulfones as Nucleophiles","Chemical Science","2021","","","","","10.1039/D1SC02599F","","","1.54178","CuKα","","0.0264","0.0258","","","0.0647","0.0652","","","","","","1.022","","","","has coordinates","266921","2021-07-03","01:09:34",""
"1563935","10.7083","0.0004","13.3839","0.0006","13.3399","0.0005","90","","97.819","0.004","90","","1894.08","0.13","200.05","0.1","200.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 N4 O8 Zn2 -","- C44 H32 N4 O8 Zn2 -","- C88 H64 N8 O16 Zn4 -","2","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0695","0.0718","","","","","","1.023","","","","has coordinates,has disorder","266993","2021-07-05","10:14:47",""
"1563944","7.4401","0.0003","6.6742","0.0003","15.2681","0.0006","90","","96.371","0.001","90","","753.48","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","","1.54178","CuKα","","0.0272","0.027","","","0.0708","0.071","","","","","","1.096","","","","has coordinates","267260","2021-07-06","01:23:51",""
"1563945","12.5354","0.0001","10.511","0.0001","18.5559","0.0001","90","","98.22","0.001","90","","2419.8","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C88 H96 N8 O24 S4 -","4","2","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","x-ray","1.54184","CuKα","","0.0309","0.03","","","0.0789","0.0795","","","","","","1.102","","","","has coordinates","267260","2021-07-06","01:23:51",""
"1563992","13.919","0.0002","7.7504","0.0001","18.629","0.0002","90","","92.981","0.001","90","","2006.94","0.04","99.9","1","99.9","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O9 -","- C28 H38 N2 O9 -","- C56 H76 N4 O18 -","2","1","","Xie, Yuhui; Guo, Lang; Huang, Jie; Huang, Xiaolong; Cong, Ziwen; Liu, Qianqian; Wang, Qianshu; Pang, Xiaoyan; Xiang, Songtao; Zhou, Xuefeng; Liu, Yonghong; Wang, Junjian; Wang, Junfeng","Cyclopentenone-Containing Tetrahydroquinoline and Geldanamycin Alkaloids from Streptomyces malaysiensis as Potential Anti-Androgens against Prostate Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00297","","x-ray","1.54184","CuKα","","0.0547","0.0477","","","0.131","0.1361","","","","","","1.038","","","","has coordinates","267307","2021-07-06","23:18:17",""
"1564003","9.3878","0.0001","32.3378","0.0003","10.3973","0.0001","90","","100.801","0.001","90","","3100.5","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H66 Cl N13 Nd2 O30 -","- C50 H64 Cl N13 Nd2 O30 -","- C100 H128 Cl2 N26 Nd4 O60 -","2","1","","Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai","Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties","Inorganica Chimica Acta","2020","513","","119931","","10.1016/j.ica.2020.119931","","","1.54184","CuKα","","0.0492","0.0457","","","0.1223","0.1256","","","","","","1.063","","","","has coordinates","267333","2021-07-07","09:00:10",""
"1564004","9.3878","0.0001","32.3383","0.0003","10.3975","0.0001","90","","100.802","0.001","90","","3100.6","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H66 Cl N13 O30 Pr2 -","- C50 H56 Cl N13 O30 Pr2 -","- C100 H112 Cl2 N26 O60 Pr4 -","2","1","","Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai","Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties","Inorganica Chimica Acta","2020","513","","119931","","10.1016/j.ica.2020.119931","","","1.54184","CuKα","","0.0864","0.0728","","","0.2558","0.2651","","","","","","1.161","","","","has coordinates","267333","2021-07-07","09:00:16",""
"1564174","10.1089","0.0002","18.082","0.0003","16.6095","0.0003","90","","104.674","0.0007","90","","2937.01","0.09","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H46.5 Br2 Cl2 N4 Na2 Ni O14.5 -","- C54 H46.5 Br2 Cl2 N4 Na2 Ni O14.5 -","- C108 H93 Br4 Cl4 N8 Na4 Ni2 O29 -","2","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0394","0.0346","","","0.088","0.0897","","","","","","1.05","","","","has coordinates,has disorder","267560","2021-07-15","09:57:51",""
"1564194","12.186","0.003","11.931","0.003","15.609","0.003","90","","94.62","0.006","90","","2262","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H17 F3 Mn N3 O6 S -","- C21 H17 F3 Mn N3 O6 S -","- C84 H68 F12 Mn4 N12 O24 S4 -","4","2","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.2234","0.1364","","","0.3382","0.3836","","","","","","1.036","","","","has coordinates","267600","2021-07-16","10:03:37",""
"1564249","11.434","0.0003","11.8435","0.0004","20.1913","0.0006","90","","95.01","0.001","90","","2723.83","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","2","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0566","0.0563","","","0.1465","0.147","","","","","","1.034","","","","has coordinates","267761","2021-07-27","01:32:53",""
"1564250","10.1381","0.0001","12.1522","0.0001","10.7853","0.0001","90","","104.64","","90","","1285.61","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C54 H84 O14 -","2","1","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0258","0.0257","","","0.0658","0.0658","","","","","","1.054","","","","has coordinates","267761","2021-07-27","01:32:53",""
"1564251","6.9847","0.0001","43.8208","0.0007","8.6936","0.0001","90","","90.047","0.001","90","","2660.89","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O4 -","- C28 H44 O4 -","- C112 H176 O16 -","4","2","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0732","0.0688","","","0.1955","0.1978","","","","","","1.059","","","","has coordinates","267761","2021-07-27","01:32:54",""
"1564262","5.95245","0.00014","9.286","0.0002","16.6609","0.0004","90","","96.22","0.002","90","","915.5","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Br Cl4 N O2 -","- C17 H12 Br Cl4 N O2 -","- C34 H24 Br2 Cl8 N2 O4 -","2","1","","Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.","Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates","Chemical Science","2021","","","","","10.1039/D1SC02474D","","x-ray","0.71073","MoKα","","0.0288","0.0244","","","0.05","0.051","","","","","","0.9915","","","","has coordinates","267795","2021-07-29","01:52:04",""
"1564267","16.4302","0.0008","18.0856","0.0008","21.8382","0.001","90","","99.399","0.002","90","","6402.1","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C82 H77 Cu N2 -","- C82 H77 Cu N2 -","- C328 H308 Cu4 N8 -","4","2","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0771","0.0556","","","0.1308","0.1417","","","","","","1.058","","","","has coordinates,has disorder","267840","2021-07-31","01:49:49",""
"1564278","5.7583","0.0003","13.5711","0.0006","9.6541","0.0005","90","","95.964","0.003","90","","750.35","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C32 H44 N4 O6 -","2","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0519","0.0411","","","0.0824","0.0867","","","","","","1.025","","","","has coordinates","267842","2021-07-31","01:52:41",""
"1564279","5.7444","0.0002","12.0901","0.0005","12.1546","0.0006","90","","95.471","0.003","90","","840.3","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0544","0.0417","","","0.0841","0.0903","","","","","","1.021","","","","has coordinates","267842","2021-07-31","01:52:42",""
"1564280","5.9468","0.0001","13.2423","0.0003","10.075","0.0003","90","","97.9895","0.0015","90","","785.7","0.03","100","","99.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C32 H52 N4 O6 -","2","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0339","0.0318","","","0.0801","0.0812","","","","","","1.051","","","","has coordinates","267842","2021-07-31","01:52:42",""
"1564308","4.8902","","28.1219","","5.1787","","90","","98.915","","90","","703.58","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","2","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267879","2021-08-01","03:15:25",""
"1564325","10.086","0.002","5.508","0.002","12.766","0.003","90","","108.14","0.03","90","","674","0.3","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 O4 S -","- C12 H13 F3 O4 S -","- C24 H26 F6 O8 S2 -","2","1","","Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing","Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes","Chemical Science","2021","","","","","10.1039/D1SC03315H","","","0.71073","MoKα","","0.0709","0.0576","","","0.1507","0.1614","","","","","","1.038","","","","has coordinates","267949","2021-08-05","00:36:53",""
"1564345","10.1914","0.0001","25.0599","0.0004","11.4275","0.0001","90","","91.92","0.001","90","","2916.89","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.35 -","- C62 H55 Co2 N9 O14.35 -","- C124 H110 Co4 N18 O28.7 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0865","0.0857","","","0.2209","0.2214","","","","","","1.163","","","","has coordinates","268490","2021-09-06","08:46:03",""
"1564346","10.209","0.0001","24.9298","0.0003","11.4431","0.0001","90","","92.162","0.001","90","","2910.29","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.6 -","- C62 H55 Co2 N9.001 O14.603 -","- C124 H110 Co4 N18.002 O29.206 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0649","0.0642","","","0.1734","0.1738","","","","","","1.165","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564347","10.197","0.0001","25.0123","0.0003","11.4337","0.0001","90","","91.608","0.001","90","","2915.02","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.23 -","- C62 H55 Co2 N9 O14.236 -","- C124 H110 Co4 N18 O28.472 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0695","0.0681","","","0.1809","0.1821","","","","","","1.136","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564348","10.1921","0.0001","24.8616","0.0003","11.4435","0.0001","90","","91.181","0.001","90","","2899.07","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.7 H53.05 Co2 N8.35 O14.87 -","- C60.7 H53.05 Co2 N8.35 O14.873 -","- C121.4 H106.1 Co4 N16.7 O29.746 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0702","0.0693","","","0.1873","0.188","","","","","","1.168","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564349","10.201","0.0001","24.9173","0.0004","11.4379","0.0001","90","","91.991","0.001","90","","2905.55","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.49 -","- C62 H55 Co2 N9 O14.495 -","- C124 H110 Co4 N18 O28.99 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0761","0.0746","","","0.2012","0.2025","","","","","","1.162","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564350","10.2096","0.0001","25.0473","0.0002","11.4373","0.0001","90","","91.898","0.001","90","","2923.18","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63.3 H56.95 Co2 N9.65 O14.66 -","- C63.3 H56.95 Co2 N9.65 O14.654 -","- C126.6 H113.9 Co4 N19.3 O29.308 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0577","0.0568","","","0.1455","0.1461","","","","","","1.204","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564351","10.1904","0.0001","24.7362","0.0002","11.4299","0.0001","90","","91.78","0.001","90","","2879.76","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.8 H60.8 Co2 N8 O14.19 -","- C57.8 H60.8 Co2 N8 O14.192 -","- C115.6 H121.6 Co4 N16 O28.384 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0525","0.0501","","","0.135","0.1367","","","","","","1.075","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564352","10.1988","0.0001","24.6101","0.0002","11.4337","0.0001","90","","92.754","0.001","90","","2866.47","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H64 Co2 N8 O14.16 -","- C59 H64 Co2 N8 O14.176 -","- C118 H128 Co4 N16 O28.352 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0561","0.053","","","0.1424","0.1444","","","","","","1.07","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564353","10.1997","0.0002","24.6572","0.0006","11.4298","0.0002","90","","92.469","0.002","90","","2871.88","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H64 Co2 N8 O14.19 -","- C59 H64 Co2 N8 O14.187 -","- C118 H128 Co4 N16 O28.374 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.1281","0.1188","","","0.3182","0.3341","","","","","","1.038","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564354","10.1785","0.0002","24.7746","0.0004","11.4257","0.0001","90","","91.43","0.001","90","","2880.3","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58.03 H61.41 Co2 N8 O14.17 -","- C58.037 H61.432 Co2 N8 O14.168 -","- C116.074 H122.864 Co4 N16 O28.336 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0659","0.0589","","","0.1519","0.157","","","","","","1.062","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564388","9.0008","0.0002","15.0151","0.0003","10.6877","0.0002","90","","107.229","0.002","90","","1379.61","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-3fa","(E)-5-(1,3-diphenylallyl)-4,5-diphenyl-5H-1,2,3-oxathiazole-2,2-dioxide","","- C33 H31 N O4 S -","- C33 H31 N O4 S -","- C66 H62 N2 O8 S2 -","2","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.047","0.0389","","","0.0943","0.099","","","","","","1.059","","","","has coordinates","268164","2021-08-21","22:14:03",""
"1564389","9.2466","0.0002","10.2138","0.0003","10.4986","0.0003","90","","94.584","0.002","90","","988.35","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-3ca","5-cinnamyl-4,5-diphenyl-5H-1,2,3-oxathiazole 2,2-dioxide","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.0443","0.038","","","0.0973","0.1011","","","","","","1.043","","","","has coordinates","268164","2021-08-21","22:14:03",""
"1564398","5.0832","0.0001","22.6617","0.0007","8.1122","0.0002","90","","103.254","0.0017","90","","909.59","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 N O -","- C21 H33 N O -","- C42 H66 N2 O2 -","2","1","","Wu, Xiao-Feng; Yuan, Yang; Zhao, Fengqian","Copper-Catalyzed Enantioselective Carbonylation Toward α-Chiral Secondary Amides","Chemical Science","2021","","","","","10.1039/D1SC04210F","","","1.54178","CuKα","","0.0346","0.0329","","","0.0831","0.0847","","","","","","1.043","","","","has coordinates","268205","2021-08-25","22:11:20",""
"1564425","9.8029","0.0004","12.7788","0.0005","10.837","0.0005","90","","100.881","0.002","90","","1333.14","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 Co2 N4 O8 -","- C24 H16 Co2 N4 O8 -","- C48 H32 Co4 N8 O16 -","2","1","","Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia","pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption","Inorganica Chimica Acta","2020","510","","119728","","10.1016/j.ica.2020.119728","","","0.71073","MoKα","","0.0824","0.0443","","","0.0875","0.1047","","","","","","1.028","","","","has coordinates","268252","2021-08-26","08:52:37",""
"1564443","14.7871","0.0002","26.5758","0.0004","16.0876","0.0003","90","","109.367","0.001","90","","5964.35","0.17","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.4 H179.6 Co2 N8 Na2 O17.4 S6 -","- C105.4 H179.6 Co2 N8 Na2 O17.4 S6 -","- C210.8 H359.2 Co4 N16 Na4 O34.8 S12 -","2","1","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0569","0.0478","","","0.0957","0.1014","","","","","","1.083","","","","has coordinates,has disorder","268289","2021-08-30","10:56:57",""
"1564471","8.801","0.0001","17.1118","0.0002","10.4302","0.0001","90","","92.78","0.001","90","","1568.95","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32.58 H32.31 Cl Mn N4 O6.58 -","- C32.578 H32.312 Cl Mn N4 O6.578 -","- C65.156 H64.624 Cl2 Mn2 N8 O13.156 -","2","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","1.54184","CuKα","","0.0359","0.0353","","","0.089","0.0893","","","","","","1.029","","","","has coordinates","268315","2021-08-31","07:57:32",""
"1564494","9.3272","0.0003","10.7693","0.0003","12.3819","0.0003","90","","108.361","0.003","90","","1180.41","0.06","225","50","225","50","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min","Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs)","Chemical Science","2021","","","","","10.1039/D1SC03569J","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.0951","0.0991","","","","","","1.035","","","","has coordinates,has disorder","268333","2021-08-31","22:18:48",""
"1564533","13.7785","0.0006","9.1111","0.0004","23.6073","0.0009","90","","96.807","0.002","90","","2942.7","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","2","","He, Juan; Ma, Rui; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Taccachatrones A-G, Highly Oxidized Steroids from the Rhizomes of Tacca chantrierii and Their Cytotoxicity Assessment.","Journal of natural products","2021","84","8","2265","2271","10.1021/acs.jnatprod.1c00342","","","1.54178","","","0.0913","0.0672","","","0.176","0.1989","","","","","","1.035","","","","has coordinates","268454","2021-09-04","00:18:42",""
"1564534","6.86876","0.00005","11.85008","0.00007","21.0751","0.0001","90","","98.179","0.0005","90","","1697.97","0.018","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2S,3R)-3-chloro-2,6,7-trihydroxy-1-methoxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione","","- C19 H17 Cl O7 -","- C19 H17 Cl O7 -","- C76 H68 Cl4 O28 -","4","2","","Huang, Chunshuai; Yang, Chunfang; Zhang, Wenjun; Zhang, Liping; Zhu, Yiguang; Zhang, Changsheng","Discovery of an Unexpected 1,4-Oxazepine-Linked seco-Fluostatin Heterodimer by Inactivation of the Oxidoreductase-Encoding Gene flsP.","Journal of natural products","2021","84","8","2336","2344","10.1021/acs.jnatprod.1c00461","","x-ray","1.54184","CuKα","","0.028","0.0278","","","0.075","0.0752","","","","","","1.053","","","","has coordinates","268455","2021-09-04","00:19:04",""
"1564592","10.9553","0.0006","19.7656","0.0011","11.4358","0.0006","90","","113.731","0.001","90","","2266.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H64 Cl3 Li N3 O4 Y -","- C45 H64 Cl3 Li N3 O4 Y -","- C90 H128 Cl6 Li2 N6 O8 Y2 -","2","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0464","0.0376","","","0.082","0.0851","","","","","","0.994","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564593","11.8982","0.0004","12.2653","0.0005","14.4785","0.0005","90","","110.588","0.0016","90","","1977.97","0.13","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H56 I N3 O3 Yb -","- C41 H56 I N3 O3 Yb -","- C82 H112 I2 N6 O6 Yb2 -","2","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0502","0.0465","","","0.0977","0.0994","","","","","","1.026","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564596","10.5548","0.0004","27.6947","0.0009","10.8041","0.0004","90","","101.966","0.004","90","","3089.5","0.2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 N5 O7 S -","- C35 H25 N5 O7 S -","- C140 H100 N20 O28 S4 -","4","2","","Yin, Xue-Song; Qi, Wei-Yi; Shi, Bing-Feng","Synthesis of Tryptophan-containing 2,5-Diketopiperazines via Sequential C‒H Activation: Total Syntheses of Tryprostatin A, Maremycins A and B","Chemical Science","2021","","","","","10.1039/D1SC02343H","","","1.54184","CuKα","","0.0765","0.0692","","","0.1685","0.1795","","","","","","1.031","","","","has coordinates","269065","2021-09-09","22:14:26",""
"1564597","9.8761","0.0002","49.9783","0.001","12.573","0.0003","90","","113.061","0.001","90","","5710","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H81 Cl N6 O6 -","- C55 H81 Cl N6 O6 -","- C220 H324 Cl4 N24 O24 -","4","2","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","1.54178","CuKα","","0.0866","0.0814","","","0.2179","0.2251","","","","","","1.018","","","","has coordinates,has disorder","269067","2021-09-09","22:16:05",""
"1564598","9.9529","0.0003","49.9513","0.0016","12.3951","0.0003","90","","113.525","0.001","90","","5650.2","0.3","120.04","","120.04","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C224 H329.95 Cl5 N24 O24 -","- C224 H329.948 Cl5 N24 O24 -","- C224 H329.948 Cl5 N24 O24 -","1","0.5","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","0.71073","MoKα","","0.126","0.0944","","","0.2466","0.2798","","","","","","1.051","","","","has coordinates,has disorder","269067","2021-09-09","22:16:09",""
"1564605","11.1342","0.0006","7.895","0.0004","13.9106","0.0007","90","","96.953","0.002","90","","1213.81","0.11","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 Br4 Cd N2 -","- C18 H28 Br4 Cd N2 -","- C36 H56 Br8 Cd2 N4 -","2","1","","Li, Yu-Kong; Lai, Yuan Yuan; Ying, Ting-Ting; Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Du, Peng-Kang; Zhang, Hao","Multifunctional molecular ferroelectric with Chiral feature, High Curie Temperature, Large Spontaneous Polarization and Photoluminescence: (C9H14N)2CdBr4","Chemical Science","2021","","","","","10.1039/D1SC03964D","","","0.71073","MoKα","","0.077","0.0499","","","0.0807","0.0898","","","","","","1.095","","","","has coordinates","269069","2021-09-09","22:18:30",""
"1564606","11.2525","0.0005","7.9861","0.0003","13.9703","0.0006","90","","97.514","0.004","90","","1244.64","0.09","373","","373","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 Br4 Cd N2 -","- C18 H28 Br4 Cd N2 -","- C36 H56 Br8 Cd2 N4 -","2","1","","Li, Yu-Kong; Lai, Yuan Yuan; Ying, Ting-Ting; Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Du, Peng-Kang; Zhang, Hao","Multifunctional molecular ferroelectric with Chiral feature, High Curie Temperature, Large Spontaneous Polarization and Photoluminescence: (C9H14N)2CdBr4","Chemical Science","2021","","","","","10.1039/D1SC03964D","","x-ray","0.71073","MoKα","","0.0744","0.0402","","","0.0765","0.0843","","","","","","1.006","","","","has coordinates,has disorder","269069","2021-09-09","22:18:31",""
"1564628","7.86878","0.00013","19.0328","0.0004","12.1261","0.0002","90","","99.9494","0.0017","90","","1788.75","0.06","99.97","0.1","99.97","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl8 N2 O5 Ru -","- C27 H38 Cl8 N2 O5 Ru -","- C54 H76 Cl16 N4 O10 Ru2 -","2","1","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0364","0.0303","","","0.0771","0.082","","","","","","1.0186","","","","has coordinates","269128","2021-09-14","08:54:09",""
"1564682","9.6179","0.0007","15.5833","0.0012","12.461","0.0009","90","","93.679","0.003","90","","1863.8","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","2","","Yu, Daohong; To, Wai-Pong; Liu, Yungen; Wu, Liangliang; You, Tingjie; Ling, Jesse; Che, Chi-Ming","Direct Photo-Induced Reductive Heck Cyclization of Indoles for Efficient Preparation of Polycyclic Indolinyl Compounds","Chemical Science","2021","","","","","10.1039/D1SC04258K","","x-ray","0.71073","MoKα","","0.0416","0.0344","","","0.0786","0.083","","","","","","1.023","","","","has coordinates","269188","2021-09-17","22:15:40",""
"1564714","8.3888","0.0005","8.8692","0.0006","8.5608","0.0006","90","","106.684","0.002","90","","610.13","0.07","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- B4 Ba4 Ca F2 O10 -","- B4 Ba4 Ca F2 O10 -","- B8 Ba8 Ca2 F4 O20 -","2","1","","Li, Shuaishuai; Liu, Xiaomeng; Wu, Hongping; Song, Zhongfu; Yu, Hongwei; Lin, Zheshuai; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba4Ca(B2O5)2F2: π-Conjugation of B2O5 in the Planar Pentagonal Layer Achieving Large Second Harmonic Generation of Pyro-borate","Chemical Science","2021","","","","","10.1039/D1SC04913E","","","0.71073","MoKα","","0.0296","0.0276","","","0.0619","0.0635","","","","","","1.042","","","","has coordinates","269265","2021-09-23","22:21:27",""
"1564766","12.4263","0.0003","14.7841","0.0004","16.2288","0.0004","90","","103.567","0.001","90","","2898.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H74 Br2 N4 O2 Pd2 -","- C54 H74 Br2 N4 O2 Pd2 -","- C108 H148 Br4 N8 O4 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0565","0.0404","","","0.0965","0.1079","","","","","","1.022","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564768","12.5373","0.0003","15.0465","0.0003","16.1547","0.0003","90","","100.064","0.001","90","","3000.57","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H74 Cl2 I4 N4 Pd2 -","- C55 H74 Cl2 I4 N4 Pd2 -","- C110 H148 Cl4 I8 N8 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0197","0.0185","","","0.0412","0.0417","","","","","","1.086","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564787","7.00919","0.00018","14.8084","0.0003","13.4349","0.0003","90","","92.747","0.002","90","","1392.87","0.06","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 Br N2 O5 -","- C35 H25 Br N2 O5 -","- C70 H50 Br2 N4 O10 -","2","1","","Qiu, Shaotong; Gao, Xiang; Zhu, Shifa","Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks","Chemical Science","2021","","","","","10.1039/D1SC04961E","","x-ray","1.54184","CuKα","","0.0281","0.0273","","","0.0681","0.0685","","","","","","1.027","","","","has coordinates","269408","2021-09-30","22:19:40",""
"1564788","8.9824","0.0012","10.3845","0.0011","15.312","0.002","90","","92.079","0.013","90","","1427.3","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H23 Br N2 O5 -","- C35 H23 Br N2 O5 -","- C70 H46 Br2 N4 O10 -","2","1","","Qiu, Shaotong; Gao, Xiang; Zhu, Shifa","Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks","Chemical Science","2021","","","","","10.1039/D1SC04961E","","x-ray","0.71073","MoKα","","0.1301","0.0849","","","0.1807","0.2153","","","","","","1.037","","","","has coordinates,has disorder","269408","2021-09-30","22:19:40",""
"1564797","7.6632","0.0002","12.1003","0.0003","21.8916","0.0006","90","","94.348","0.002","90","","2024.1","0.09","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","2","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0714","0.0583","","","0.1575","0.1739","","","","","","1.08","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564798","6.7959","0.0001","36.5395","0.0005","8.7513","0.0001","90","","98.87","0.002","90","","2147.12","0.05","102","4","102","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl O4 -","- C23 H31 Cl O4 -","- C92 H124 Cl4 O16 -","4","2","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.054","0.0479","","","0.1279","0.131","","","","","","1.056","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564801","24.8351","0.0009","7.171","0.0002","25.5947","0.0009","90","","93.822","0.004","90","","4548.1","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl O5 -","- C23 H29 Cl O5 -","- C184 H232 Cl8 O40 -","8","4","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0613","0.0466","","","0.1133","0.1194","","","","","","0.949","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564803","7.1951","0.0002","40.1443","0.0012","15.3671","0.0004","90","","96.963","0.002","90","","4405.9","0.2","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl O4 -","- C23 H31 Cl O4 -","- C184 H248 Cl8 O32 -","8","4","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.1034","0.0932","","","0.2455","0.2528","","","","","","1.069","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564804","11.89568","0.00005","7.73002","0.00003","16.47814","0.00008","90","","100.404","0.0004","90","","1490.31","0.011","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O7 -","- C31 H48 O7 -","- C62 H96 O14 -","2","1","","Liu, Mengting; Gu, Lianghu; Shen, Ling; Zhang, Xueke; Lin, Shuang; Ye, Ying; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaquinones A-J, Immunosuppressive Meroterpenoids from a Soil-Derived Bipolaris zeicola.","Journal of natural products","2021","84","9","2427","2436","10.1021/acs.jnatprod.1c00327","","x-ray","1.54184","CuKα","","0.0429","0.0426","","","0.1023","0.1025","","","","","","1.043","","","","has coordinates","269523","2021-10-03","23:51:03",""
"1564805","11.2607","0.0001","10.247","0.0001","13.0776","0.0002","90","","111.947","0.001","90","","1399.65","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H44 O6 -","- C30 H44 O6 -","- C60 H88 O12 -","2","1","","Liu, Mengting; Gu, Lianghu; Shen, Ling; Zhang, Xueke; Lin, Shuang; Ye, Ying; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaquinones A-J, Immunosuppressive Meroterpenoids from a Soil-Derived Bipolaris zeicola.","Journal of natural products","2021","84","9","2427","2436","10.1021/acs.jnatprod.1c00327","","x-ray","1.54184","CuKα","","0.0265","0.0263","","","0.0685","0.0686","","","","","","1.06","","","","has coordinates","269524","2021-10-03","23:51:34",""
"1564908","6.524","0.008","8.428","0.01","13.854","0.015","90","","97.68","0.03","90","","754.9","1.5","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","","Bermesheva, Evgeniya V.; Nazarov, Ivan V.; Kataranova, Ksenia D.; Khrychikova, Anna P.; Zarezin, Danil P.; Melnikova, Elizaveta K.; Asachenko, Andrey F.; Topchiy, Maxim A.; Rzhevskiy, Sergey A.; Bermeshev, Maxim V.","Cocatalyst versus precatalyst impact on the vinyl-addition polymerization of norbornenes with polar groups: looking at the other side of the coin","Polymer Chemistry","2021","12","43","6355","6362","10.1039/D1PY01039E","","","0.71073","MoKα","","0.0442","0.0398","","","0.1001","0.104","","","","","","1.033","","","","has coordinates","271234","2021-12-07","04:01:59",""
"1564926","9.6726","0.0008","9.3885","0.0006","24.069","0.0015","90","","91.499","0.006","90","","2185","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 N2 O3 -","- C29 H18 N2 O3 -","- C116 H72 N8 O12 -","4","2","","Dhawa, Uttam; Wdowik, Tomasz; Hou, Xiaoyan; Yuan, Binbin; Oliveira, João C. A.; Ackermann, Lutz","Enantioselective palladaelectro-catalyzed C–H olefinations and allylations for N–C axial chirality","Chemical Science","2021","","","","","10.1039/D1SC04687J","","x-ray","1.54178","CuKα","","0.0431","0.0423","","","0.1103","0.1108","","","","","","1.137","","","","has coordinates","269953","2021-10-14","22:15:23",""
"1564930","6.9147","0.0002","12.4146","0.0003","9.8883","0.0002","90","","109.765","0.001","90","","798.84","0.03","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H10 N4 O2 -","- C20 H10 N4 O2 -","- C40 H20 N8 O4 -","2","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","1.54178","CuKα","","0.065","0.0617","","","0.1722","0.1798","","","","","","1.055","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1565040","5.9384","0.0001","5.3053","0.0001","15.9518","0.0004","90","","93.289","0.001","90","","501.734","0.018","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F N O3 -","- C10 H12 F N O3 -","- C20 H24 F2 N2 O6 -","2","1","","Zhang, Rui; Tan, Jiamu; Luo, Zhenzhen; Dong, Haihong; Ma, Ningshan; Liao, Cangsong","Stereo-selective synthesis of non-canonical γ-hydroxy-α-amino acids by enzymatic carbon–carbon bond formation","Catalysis Science & Technology","2021","11","22","7380","7385","10.1039/D1CY00955A","","","1.54178","CuKα","","0.0268","0.026","","","0.0656","0.0676","","","","","","1.095","","","","has coordinates","271151","2021-12-07","02:20:50",""
"1565041","7.5198","0.0004","16.3763","0.0009","7.5876","0.0004","90","","90.136","0.006","90","","934.38","0.09","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","catena-[(m4-tetrakis(2-Methyl-1H-imidazol-1-yl)borate-N3,N3',N3'',N3''')-silver(i)]","","","- C16 H20 Ag B N8 -","- C16 H20 Ag B N8 -","- C32 H40 Ag2 B2 N16 -","2","1","","Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav","Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry","Chemical Science","2021","","","","","10.1039/D1SC03665C","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.029","2.96","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1565044","8.798","0.003","8.047","0.002","11.933","0.007","90","","108.18","0.02","90","","802.7","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","2b","Benzyl (R)-2-(4-fluorophenyl)morpholine-4-carboxylate","","- C18 H18 F N O3 -","- C18 H18 F N O3 -","- C36 H36 F2 N2 O6 -","2","1","","Li, Mingxu; Zhang, Jian; Zou, Yashi; Zhou, Fengfan; Zhang, Zhenfeng; Zhang, Wanbin","Asymmetric Hydrogenation for the Synthesis of 2-Substituted Chiral Morpholines","Chemical Science","2021","","","","","10.1039/D1SC04288B","","","1.54178","CuKα","","0.035","0.0317","","","0.0853","0.0888","","","","","","1.028","","","","has coordinates","270104","2021-10-28","22:25:22",""
"1565113","8.323","0.0001","13.9278","0.0002","11.0616","0.0002","90","","104.636","0.001","90","","1240.66","0.03","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O10 -","- C27 H36 O10 -","- C54 H72 O20 -","2","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus Talaromyces purpureogenus SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0356","0.0352","","","0.0962","0.0964","","","","","","1.081","","","","has coordinates","270284","2021-11-04","00:36:00",""
"1565129","10.3648","0.001","8.5788","0.0008","10.6319","0.0009","90","","100.736","0.004","90","","928.81","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-(1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl) benzophenone imine","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.0948","0.0614","","","0.1225","0.1428","","","","","","1.153","","","","has coordinates","270329","2021-11-05","23:12:51",""
"1565177","9.6933","0.0001","9.0179","0.0001","13.4198","0.0001","90","","90.0868","0.0008","90","","1173.07","0.02","100","","100","","","","100","","","","synthesis","5","P 1 21 1","P 2yb","4","","Dimer 2a","","- C21 H27 Cl N8 O2 -","- C21 H27 Cl N8 O2 -","- C42 H54 Cl2 N16 O4 -","2","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","","1.5418","CuKα","","0.0342","0.0341","","0.0637","0.0635","0.0637","","","","","","1.9544","","","","has coordinates","270581","2021-11-10","23:14:03",""
"1565182","10.4051","0.001","21.314","0.002","11.3738","0.0012","90","","103.171","0.004","90","","2456.1","0.4","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H62 B2 Cl2 N2 O4 -","- C55 H62 B2 Cl2 N2 O4 -","- C110 H124 B4 Cl4 N4 O8 -","2","1","","Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín","Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization","Chemical Science","2021","","","","","10.1039/D1SC04980A","","","0.71073","MoKα","","0.0568","0.0531","","","0.1278","0.1319","","","","","","1.062","","","","has coordinates,has disorder","270583","2021-11-10","23:15:35",""
"1565186","9.967","0.0009","16.2018","0.0014","13.8919","0.0013","90","","90.218","0.005","90","","2243.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H26 F6 I N O2 -","- C21 H26 F6 I N O2 -","- C84 H104 F24 I4 N4 O8 -","4","2","","Chai, Jinkui; Ding, Wei; Wang, Chen; Ito, Shingo; Wu, Junliang; Yoshikai, Naohiko","Ritter-type iodo(III)amidation of unactivated alkynes for the stereoselective synthesis of multisubstituted enamides","Chemical Science","2021","","","","","10.1039/D1SC05240C","","x-ray","0.71073","MoKα","","0.1273","0.0543","","","0.0728","0.0888","","","","","","0.965","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565221","9.1929","0.0006","24.4368","0.0017","13.3037","0.0009","90","","94.56","0.002","90","","2979.2","0.3","275","2","275","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H30 N2 O4.5 Sn -","- C35 H31 N2 O4.5 Sn -","- C140 H124 N8 O18 Sn4 -","4","2","","Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Ochoa, María E.; Sábio, Rafael M.; Amaral, André C.; da Silva, Robson R.; Ribeiro, Sidney J.L.; da S. Barud, Hernane; Muñoz-Flores, Blanca M.","Ultrasound-assisted synthesis of organotin compounds and their application as luminescent dye in silk fibroin scaffolds","Inorganica Chimica Acta","2020","505","","119490","","10.1016/j.ica.2020.119490","","","0.71073","MoKα","","0.0781","0.0636","","","0.1534","0.1641","","","","","","1.111","","","","has coordinates","270655","2021-11-15","10:12:47",""
"1565226","7.72","0.0002","7.7534","0.0002","9.0532","0.0002","90","","94.725","0.002","90","","540.05","0.02","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0597","0.0594","","","0.1443","0.145","","","","","","1.097","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565227","7.7253","0.0005","7.7557","0.0004","9.0549","0.0005","90","","94.727","0.005","90","","540.68","0.05","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0453","0.0355","","","0.092","0.0962","","","","","","1.054","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565228","7.748","0.0001","7.6312","0.0001","8.9986","0.0001","90","","95.11","0.001","90","","529.941","0.011","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0296","0.0295","","","0.0809","0.081","","","","","","1.029","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565230","7.7527","0.0003","7.6368","0.0003","8.9989","0.0004","90","","95.097","0.004","90","","530.68","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0287","0.0268","","","0.0725","0.0734","","","","","","1.059","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565301","7.9488","0.0007","11.8141","0.0009","10.2189","0.0009","90","","108.275","0.01","90","","911.23","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cu N5 O9 -","- C14 H17 Cu N5 O9 -","- C28 H34 Cu2 N10 O18 -","2","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0483","0.0473","","","0.1259","0.1277","","","","","","1.065","","","","has coordinates","270723","2021-11-17","09:37:43",""
"1565338","10.6895","0.0001","11.1422","0.0001","10.9219","0.0001","90","","112.47","0.001","90","","1202.09","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 Br2 N O2 -","- C25 H25 Br2 N O2 -","- C50 H50 Br4 N2 O4 -","2","1","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54184","CuKα","","0.0193","0.0192","","","0.0498","0.0498","","","","","","1.067","","","","has coordinates","270790","2021-11-20","23:12:23",""
"1565345","13.7152","0.0001","15.9459","0.0001","18.6299","0.0001","90","","103.711","0.001","90","","3958.28","0.05","170","0.12","170","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C84 H96 O14 -","- C84 H96 O14 -","- C168 H192 O28 -","2","1","","Zhao, Yong-Ye; xiao, hongyan; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Adsorptive Separation of Cyclohexanol and Cyclohexanone by Nonporous Adaptive Crystals of RhombicArene","Chemical Science","2021","","","","","10.1039/D1SC04728K","","x-ray","1.54184","CuKα","","0.0463","0.045","","","0.1301","0.1316","","","","","","1.036","","","","has coordinates,has disorder","270814","2021-11-22","23:15:40",""
"1565346","20.0678","0.0001","15.8911","0.0001","25.6047","0.0002","90","","108.962","0.001","90","","7722.23","0.1","170","0.13","170","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H78 N O12 -","- C76 H78 N O12 -","- C304 H312 N4 O48 -","4","2","","Zhao, Yong-Ye; xiao, hongyan; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Adsorptive Separation of Cyclohexanol and Cyclohexanone by Nonporous Adaptive Crystals of RhombicArene","Chemical Science","2021","","","","","10.1039/D1SC04728K","","x-ray","1.54184","CuKα","","0.0692","0.0636","","","0.1867","0.1945","","","","","","1.046","","","","has coordinates,has disorder","270814","2021-11-22","23:15:40",""
"1565354","9.9638","0.0006","17.024","0.005","18.5358","0.0006","90","","94.962","0.003","90","","3132.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H20 Co2 O11 -","- C29 H20 Co2 O11 -","- C58 H40 Co4 O22 -","2","1","","Yu, Hongjun; Li, Heng; Zhang, Qiang; Shao, Yue; Wang, Yong-Ji","Porous Co-MOF for cyanosilylation reaction and protective effect in child bronchial pneumonia by reducing the inflammatory response and IL-12 production in immune cells","Inorganica Chimica Acta","2020","503","","119426","","10.1016/j.ica.2020.119426","","","0.71073","MoKα","","0.0966","0.0597","","","0.1409","0.1577","","","","","","0.967","","","","has coordinates","270826","2021-11-23","09:43:37",""
"1565384","9.0246","0.0003","13.7857","0.0005","12.0756","0.0004","90","","98.513","0.003","90","","1485.78","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C56 H32 Cl16 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0769","0.0766","","","0.2049","0.2058","","","","","","1.093","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565399","11.5887","0.0004","12.1505","0.0004","14.5684","0.0006","90","","97.342","0.003","90","","2034.54","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H54 Cl6 N4 O6 -","- C31 H54 Cl6 N4 O6 -","- C62 H108 Cl12 N8 O12 -","2","1","","Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Borah, Julie; Goel, Gaurav; Haridas, V.","Bispidine as a β-strand nucleator: from a β-arch to self-assembled cages and vesicles","Chemical Science","2021","","","","","10.1039/D1SC04860K","","","0.71073","MoKα","","0.1009","0.076","","","0.2029","0.2213","","","","","","1.034","","","","has coordinates,has disorder","270865","2021-11-24","23:20:04",""
"1565403","10.3648","0.001","8.5788","0.0008","10.6319","0.0009","90","","100.736","0.004","90","","928.81","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-(1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl) benzophenone imine","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.0948","0.0614","","","0.1225","0.1428","","","","","","1.153","","","","has coordinates","270867","2021-11-24","23:21:25",""
"1565409","11.8775","0.0007","8.1637","0.0005","12.1364","0.0006","90","","114.799","0.002","90","","1068.28","0.11","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","TEAVBH","Tetraethylammonium vanadium(v)-bis-hydroxyiminodiacetate","","- C16 H28 N3 O10 V -","- C16 H28 N3 O10 V -","- C32 H56 N6 O20 V2 -","2","1","","Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito","Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials","Chemical Science","2021","","","","","10.1039/D1SC04990A","","","0.71073","MoKα","","0.0231","0.0215","","","0.0564","0.0575","","","","","","1.016","","","","has coordinates","270892","2021-11-26","23:13:14",""
"1565446","10.0797","0.0006","18.5156","0.0011","20.6491","0.0012","90","","91.271","0.001","90","","3852.8","0.4","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 N O8 P2 Ru -","- C42 H38 N O8 P2 Ru -","- C168 H152 N4 O32 P8 Ru4 -","4","2","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.036","0.0308","","","0.0679","0.0712","","","","","","1.026","","","","has coordinates","270938","2021-11-30","10:06:55",""
"1565450","8.3188","0.0002","13.4185","0.0003","9.0483","0.0002","90","","104.954","0.001","90","","975.82","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H26.68 O9.34 Ru S4 -","- C10 H24 O9.342 Ru S4 -","- C20 H48 O18.684 Ru2 S8 -","2","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0152","0.0151","","","0.0399","0.04","","","","","","1","","","","has coordinates,has disorder","270938","2021-11-30","10:07:23",""
"1565503","7.9669","0.0001","8.8993","0.0001","14.7175","0.0001","90","","97.019","0.001","90","","1035.65","0.019","106","5","106","5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C48 H60 O12 -","2","1","","Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng","Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from Penicillium steckii HNNU-5B18.","Journal of natural products","2021","84","11","2953","2960","10.1021/acs.jnatprod.1c00787","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0661","0.0663","","","","","","1.057","","","","has coordinates","271079","2021-12-04","01:24:57",""
"1565505","6.55217","0.00009","7.61602","0.00011","14.54252","0.00019","90","","94.4777","0.0012","90","","723.478","0.017","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Yan, Hai-Wei; Zhao, Ling-Hao; Zhang, Xu; Yang, Ya-Nan; Yuan, Xiang; Zhang, Pei-Cheng","Photoinduced Irreversible Intramolecular Proton Transfer of Arnebinones B, D, and E: The Case of Photoenolization at the p-Benzoquinone-CH2/CH-π System.","Journal of natural products","2021","84","11","2981","2989","10.1021/acs.jnatprod.1c00830","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0824","0.0825","","","","","","1.067","","","","has coordinates","271081","2021-12-04","01:25:47",""
"1565506","6.83225","0.00018","7.31343","0.00017","14.9372","0.0004","90","","97.353","0.002","90","","740.23","0.03","112","1","112","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Yan, Hai-Wei; Zhao, Ling-Hao; Zhang, Xu; Yang, Ya-Nan; Yuan, Xiang; Zhang, Pei-Cheng","Photoinduced Irreversible Intramolecular Proton Transfer of Arnebinones B, D, and E: The Case of Photoenolization at the p-Benzoquinone-CH2/CH-π System.","Journal of natural products","2021","84","11","2981","2989","10.1021/acs.jnatprod.1c00830","","x-ray","1.54184","CuKα","","0.0287","0.0284","","","0.0762","0.0766","","","","","","1.052","","","","has coordinates","271083","2021-12-04","01:27:21",""
"1565507","11.2589","0.0003","7.3921","0.0002","11.6967","0.0003","90","","95.131","0.001","90","","969.58","0.04","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from Croton sublyratus.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0371","0.0343","","","0.0802","0.0825","","","","","","1.046","","","","has coordinates","271084","2021-12-04","01:27:54",""
"1565509","10.1013","0.0004","6.1553","0.0002","15.0094","0.0005","90","","98.483","0.003","90","","923.02","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from Croton sublyratus.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0567","0.0406","","","0.0857","0.0958","","","","","","1.083","","","","has coordinates","271087","2021-12-04","01:28:57",""
"1565510","11.9469","0.0004","12.1093","0.0005","12.7326","0.0003","90","","101.625","0.002","90","","1804.22","0.11","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","2","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from Croton sublyratus.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0432","0.0375","","","0.0877","0.0917","","","","","","1.027","","","","has coordinates","271088","2021-12-04","01:29:20",""
"1565516","7.50545","0.00006","7.48037","0.00005","18.43974","0.00014","90","","92.1467","0.0007","90","","1034.55","0.013","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C44 H56 O16 -","2","1","","Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo","Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete Saccharothrix sp. D09.","Journal of natural products","2021","84","11","2875","2884","10.1021/acs.jnatprod.1c00617","","x-ray","1.54184","CuKα","","0.0479","0.0465","","","0.1291","0.1314","","","","","","1.04","","","","has coordinates","271094","2021-12-04","01:31:41",""
"1565522","9.6584","0.0008","8.5478","0.0007","9.765","0.0007","90","","96.202","0.003","90","","801.46","0.11","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","At2911_Re_016_B3_B4","","- C19 H22 O7 -","- C19 H22 O7 -","- C38 H44 O14 -","2","1","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from Actinomadura miaoliensis.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0275","0.027","","","0.0712","0.0718","","","","","","0.937","","","","has coordinates","271100","2021-12-04","01:33:57",""
"1565565","9.4035","0.0001","10.6249","0.0001","9.5173","0.0001","90","","95.379","0.001","90","","946.698","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O -","- C22 H17 F3 N2 O -","- C44 H34 F6 N4 O2 -","2","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective SN1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0767","0.0771","","","","","","1.072","","","","has coordinates","276603","2022-07-06","07:59:32",""
"1565590","11.04668","0.00008","5.51936","0.00005","14.34857","0.0001","90","","101.385","0.0007","90","","857.627","0.012","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br Cl F2 N O2 -","- C18 H15 Br Cl F2 N O2 -","- C36 H30 Br2 Cl2 F4 N2 O4 -","2","1","","Xu, Xiao; Bao, Longzhu; Ran, Lu; Yang, Zhenyan; Yan, Dingce; Wang, Chun-Jiang; Teng, Huailong","Synthesis of bioactive fluoropyrrolidines via copper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides","Chemical Science","2022","13","5","1398","1407","10.1039/D1SC04595D","","x-ray","1.54184","CuKα","","0.0176","0.0176","","","0.0465","0.0466","","","","","","1.047","","","","has coordinates","272574","2022-02-04","19:11:21",""
"1565641","4.9117","0.0004","8.1838","0.0006","8.056","0.0008","90","","99.683","0.009","90","","319.21","0.05","195","2","195","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H8 Cl N O4 -","- C3 H8 Cl N O4 -","- C6 H16 Cl2 N2 O8 -","2","1","","Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.","Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.","Nanoscale","2022","14","3","675","679","10.1039/d1nr04851a","","","0.71073","MoKα","","0.0804","0.0646","","","0.1734","0.1923","","","","","","1.134","","","","has coordinates,has disorder","272706","2022-02-04","19:51:25",""
"1565652","7.7746","0.0002","27.9151","0.0009","10.9829","0.0004","90","","100.812","0.001","90","","2341.29","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(bdmpzpy)(2,6-pydc)]1.5H2O","","","- C24 H27 Cu N6 O5.5 -","- C24 H27 Cu N6 O5.5 -","- C96 H108 Cu4 N24 O22 -","4","2","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0255","0.0245","","","0.0645","0.065","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565661","8.6416","0.0009","6.2775","0.0006","10.9475","0.0012","90","","96.634","0.004","90","","589.9","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","VRT-2433340","","","- C13 H14 O4 S -","- C13 H14 O4 S -","- C26 H28 O8 S2 -","2","1","","Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P.","Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes.","Chemical science","2021","13","1","236","240","10.1039/d1sc06035j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0229","","","0.0634","0.0639","","","","","","1.098","","","","has coordinates","272560","2022-02-04","19:05:01",""
"1565665","13.3164","0.0004","13.319","0.0003","16.7792","0.0006","90","","97.425","0.003","90","","2951.02","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Er Li O Pb Si4 -","- C58 H96 Er Li O Pb Si4 -","- C116 H192 Er2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0495","0.0358","","","0.0642","0.0677","","","","","","0.949","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565668","13.4211","0.0002","13.6559","0.0002","16.7671","0.0003","90","","97.576","0.001","90","","3046.2","0.08","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Ce Li O Pb Si4 -","- C58 H96 Ce Li O Pb Si4 -","- C116 H192 Ce2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","1.34143","GaKα","","0.0324","0.0307","","","0.0778","0.0795","","","","","","1.117","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565670","13.4752","0.0003","13.6204","0.0002","16.909","0.0004","90","","99.42","0.002","90","","3061.59","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H97 La Li O Pb Si4 -","- C58 H97 La Li O Pb Si4 -","- C116 H194 La2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0591","0.049","","","0.1169","0.1242","","","","","","1.035","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565671","14.194","0.004","10.712","0.003","15.769","0.004","90","","102.51","0.004","90","","2340.7","1.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl2 Fe N3 O12 -","- C16 H25 Cl2 Fe N3 O12 -","- C64 H100 Cl8 Fe4 N12 O48 -","4","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0539","0.0359","","","0.0768","0.0864","","","","","","1.017","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565733","10.655","0.007","10.152","0.007","11.788","0.008","90","","112.724","0.01","90","","1176.1","1.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Co N4 O6 -","- C24 H28 Co N4 O6 -","- C48 H56 Co2 N8 O12 -","2","1","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.248","0.1166","","","0.2378","0.3138","","","","","","0.946","","","","has coordinates","271386","2021-12-14","09:31:15",""
"1565770","8.2967","0.0011","18.561","0.002","9.1728","0.0017","90","","116.883","0.003","90","","1259.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N3 P Pt -","- C31 H26 N3 P Pt -","- C62 H52 N6 P2 Pt2 -","2","1","","Niknam, Fatemeh; Hamidizadeh, Peyman; Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Ford, Peter C.; Abu-Omar, Mahdi M.","Synthesis, structural characterization, and luminescence properties of mono- and di-nuclear platinum(II) complexes containing 2-(2-pyridyl)-benzimidazole","Inorganica Chimica Acta","2019","498","","119133","","10.1016/j.ica.2019.119133","","","0.71073","MoKα","","0.0236","0.0208","","","0.0391","0.0399","","","","","","1.026","","","","has coordinates","271441","2021-12-15","09:18:54",""
"1565784","20.1956","0.0011","26.3701","0.0015","21.0982","0.0009","90","","102.927","0.002","90","","10951.3","1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H108 N4 O8 Ti2 -","- C133 H108 N4 O8 Ti2 -","- C532 H432 N16 O32 Ti8 -","4","2","","Macker, Emilie; Barloy, Laurent; Chaumont, Alain; Kyritsakas, Nathalie; Vincent, Bruno; Henry, Marc; Mobian, Pierre","Evaluation of the stereoselectivity for titanium(IV)-based coordination entities induced by the enantiopure diphenylethene-1,2-diamine ligand","Inorganica Chimica Acta","2019","498","","119119","","10.1016/j.ica.2019.119119","","","0.71073","MoKα","","0.2037","0.0957","","","0.2326","0.2683","","","","","","1.023","","","","has coordinates","271470","2021-12-16","09:42:40",""
"1565785","20.1564","0.001","26.3154","0.0012","21.0515","0.0009","90","","102.885","0.002","90","","10885","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H108 N4 O8 Ti2 -","- C133 H108 N4 O8 Ti2 -","- C532 H432 N16 O32 Ti8 -","4","2","","Macker, Emilie; Barloy, Laurent; Chaumont, Alain; Kyritsakas, Nathalie; Vincent, Bruno; Henry, Marc; Mobian, Pierre","Evaluation of the stereoselectivity for titanium(IV)-based coordination entities induced by the enantiopure diphenylethene-1,2-diamine ligand","Inorganica Chimica Acta","2019","498","","119119","","10.1016/j.ica.2019.119119","","","0.71073","MoKα","","0.2053","0.1021","","","0.2778","0.3446","","","","","","1.028","","","","has coordinates","271470","2021-12-16","09:42:41",""
"1565819","6.0869","0.0003","17.6346","0.0009","17.8806","0.0009","90","","92.23","0.003","90","","1917.85","0.17","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","2","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0778","0.068","","","0.1896","0.207","","","","","","1.103","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565833","6.29835","0.00009","10.64131","0.00014","7.53892","0.00011","90","","103.504","0.0014","90","","491.31","0.012","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","","1.54184","CuKα","","0.0217","0.0217","","","0.0586","0.0587","","","","","","1.097","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565834","6.3879","0.0002","10.8484","0.0003","7.6137","0.0003","90","","103.203","0.003","90","","513.67","0.03","373.01","0.11","373.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","x-ray","1.54184","CuKα","","0.0584","0.0544","","","0.2882","0.2892","","","","","","1.416","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565900","3.7723","0.0002","11.1607","0.0006","12.1361","0.0007","90","","94.841","0.002","90","","509.13","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H8 Cl N -","- C13 H8 Cl N -","- C26 H16 Cl2 N2 -","2","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0678","0.0664","","","0.174","0.1752","","","","","","1.186","","","","has coordinates,has disorder","271781","2022-01-04","02:07:53",""
"1565908","9.4239","0.0001","10.0699","0.0001","11.235","0.0001","90","","103.712","0.001","90","","1035.79","0.018","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei","Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis","Chemical Science","2022","13","4","1088","1094","10.1039/D1SC06613G","","x-ray","1.54184","CuKα","","0.0342","0.0331","","","0.0878","0.0884","","","","","","1.094","","","","has coordinates,has disorder","272581","2022-02-04","19:13:02",""
"1565909","8.0916","0.0006","6.0738","0.0005","12.9097","0.001","90","","105.671","0.007","90","","610.89","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H9 Br F N3 O -","- C12 H9 Br F N3 O -","- C24 H18 Br2 F2 N6 O2 -","2","1","","Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro","Ring-opening fluorination of bicyclic azaarenes","Chemical Science","2022","13","3","665","670","10.1039/D1SC06273E","","","1.5418","CuKα","","0.0324","0.0323","","","0.0846","0.0847","","","","","","1.148","","","","has coordinates","272595","2022-02-04","19:16:24",""
"1565918","12.1617","0.0003","22.7491","0.0006","21.3638","0.0007","90","","90.016","0.003","90","","5910.7","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O3 Sn -","- C29 H38 N2 O3 Sn -","- C232 H304 N16 O24 Sn8 -","8","4","","Debnath, Paresh; Das, Ankit; Singh, Keisham Surjit; Yama, Tage; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, structural characterization and antimicrobial activities of triorganotin(IV)azo-carboxylates derived from ortho/para-amino benzoic acids and β-naphthol","Inorganica Chimica Acta","2019","498","","119172","","10.1016/j.ica.2019.119172","","","0.71073","MoKα","","0.1608","0.0734","","","0.166","0.2095","","","","","","1.042","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1565927","9.0475","0.0015","18.2763","0.0014","12.7484","0.0011","90","","105.437","0.009","90","","2032","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H64 Ni O P2 -","- C45 H64 Ni O P2 -","- C90 H128 Ni2 O2 P4 -","2","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0363","0.035","","","0.0793","0.0801","","","","","","1.13","","","","has coordinates,has disorder","272577","2022-02-04","19:11:54",""
"1565994","22.944","0.003","13.9699","0.0015","44.772","0.005","90","","92.681","0.008","90","","14335","3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C168 H443 K8 O213.5 P4 -","- C166 H183 K O210.5 P3.5 -","- C332 H366 K2 O421 P7 -","2","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.1136","0.0947","","","0.2295","0.2503","","","","","","1.033","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1566033","10.34486","0.00014","10.19459","0.00012","12.07537","0.00018","90","","105.047","0.0015","90","","1229.82","0.03","303.37","0.1","303.37","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N O6 S -","- C25 H28 N O6 S -","- C50 H56 N2 O12 S2 -","2","1","","Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei","Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea","Chemical Science","2022","","","","","10.1039/D1SC06127E","","x-ray","1.54184","CuKα","","0.0386","0.0357","","","0.0976","0.1001","","","","","","1.065","","","","has coordinates,has disorder","272110","2022-01-18","23:08:23",""
"1566116","11.736","0.002","7.3385","0.0015","11.975","0.002","90","","119.23","0.03","90","","900","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.0634","0.0401","","","0.0819","0.0888","","","","","","1.04","","","","has coordinates","272219","2022-01-25","10:13:09",""
"1566133","11.34175","0.00018","8.21411","0.00013","12.44906","0.00019","90","","107.158","0.0016","90","","1108.17","0.03","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0837","0.0857","","","","","","1.043","","","","has coordinates","272246","2022-01-26","12:29:17",""
"1566134","11.1281","0.0003","7.1835","0.0002","11.805","0.0003","90","","93.143","0.002","90","","942.26","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C44 H58 N2 O6 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0303","0.0287","","","0.0708","0.0719","","","","","","1.003","","","","has coordinates","272247","2022-01-26","12:30:19",""
"1566135","6.42575","0.00009","25.7445","0.0003","9.53536","0.00012","90","","105.067","0.0013","90","","1523.18","0.03","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H25 O4.5 -","- C16 H25 O4.5 -","- C64 H100 O18 -","4","2","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0283","0.0264","","","0.0622","0.0637","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1566165","7.2344","0.0001","17.3214","0.0003","22.1734","0.0005","90","","98.564","0.001","90","","2747.57","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(2R)-1-methylpyrrolidin-2-yl]- (3S)-trimethylsilyl-(1R)-ferrocenyldiphenylphosphine","","- C30 H36 Fe N P Si -","- C30 H36 Fe N P Si -","- C120 H144 Fe4 N4 P4 Si4 -","4","2","","Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.","The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution","Tetrahedron","2021","90","","132088","","10.1016/j.tet.2021.132088","","","0.71073","MoKα","","0.139","0.0791","","","0.1276","0.1506","","","","","","1.031","","","","has coordinates","272270","2022-01-27","08:24:00",""
"1566175","9.193","0.002","7.6493","0.0017","11.637","0.003","90","","108.145","0.005","90","","777.6","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Kerr, Ryan W.F.; Greenhalgh, Mark D.; Slawin, Alexandra M.Z.; Arnold, Polly L.; Smith, Andrew D.","Enantioselective N-heterocyclic carbene catalyzed formal [3+2] cycloaddition using α-aroyloxyaldehydes and oxaziridines","Tetrahedron: Asymmetry","2017","28","1","125","134","10.1016/j.tetasy.2016.10.012","","","0.71075","MoKα","","0.0485","0.0465","","","0.1242","0.1267","","","","","","1.03","","","","has coordinates","272273","2022-01-27","09:29:42",""
"1566189","4.785","0.004","13.523","0.011","13.254","0.011","90","","93.94","0.009","90","","855.6","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","lactosamine","β-D-Galactopyranosyl-(1→4)–2-amino-2-deoxy-α-D-glucopyranose hydrochloride monohydrate","","- C12 H26 Cl N O11 -","- C12 H26 Cl N O11 -","- C24 H52 Cl2 N2 O22 -","2","1","GG4007","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","β-D-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-D-glucopyranose hydrochloride monohydrate (lactosamine)","IUCrData","2022","7","1","x220061","","10.1107/S241431462200061X","","","0.71073","MoKα","","0.1519","0.0658","","","0.1067","0.1312","","","","","","1.01","","","","has coordinates,has Fobs","272347","2022-01-29","03:14:28",""
"1566200","12.7581","0.001","22.867","0.002","16.3241","0.0014","90","","94.056","0.006","90","","4750.5","0.7","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C95 H106 F16 N2 O11 S -","- C95 H106 F16 N2 O11 S -","- C190 H212 F32 N4 O22 S2 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.2646","0.1736","","","0.4253","0.4927","","","","","","1.482","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566247","6.5937","0.0006","22.424","0.002","10.7128","0.0011","90","","97.951","0.003","90","","1568.7","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N3 O5 S -","- C15 H17 N3 O5 S -","- C60 H68 N12 O20 S4 -","4","2","","Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten","Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid","Chemical Science","2022","13","8","2378","2384","10.1039/D2SC00113F","","x-ray","0.71073","MoKα","","0.0309","0.03","","","0.0789","0.0796","","","","","","1.06","","","","has coordinates","273347","2022-03-04","22:05:31",""
"1566266","7.5832","0.0001","15.8833","0.0001","10.5856","0.0001","90","","104.429","0.001","90","","1234.78","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 S -","- C25 H23 N3 O7 S -","- C50 H46 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.0962","0.0976","","","","","","0.822","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566284","14.3066","0.0003","7.5865","0.0001","14.8171","0.0003","90","","113.339","0.003","90","","1476.62","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C64 H68 O24 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic Muyocopron laterale.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0406","0.0365","","","0.0917","0.0958","","","","","","1.05","","","","has coordinates","272516","2022-02-04","00:42:38",""
"1566286","10.0366","0.0001","10.7583","0.0001","15.9163","0.0002","90","","95.435","0.001","90","","1710.86","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H42 O14 -","- C36 H42 O14 -","- C72 H84 O28 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic Muyocopron laterale.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0382","0.0364","","","0.0972","0.0986","","","","","","1.064","","","","has coordinates","272518","2022-02-04","00:43:26",""
"1566289","12.3621","0.0001","11.0513","0.0001","13.3183","0.0001","90","","110.977","0.001","90","","1698.92","0.03","100.03","0.1","100.03","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H40 O12 S -","- C34 H40 O12 S -","- C68 H80 O24 S2 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic Muyocopron laterale.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0692","0.0693","","","","","","1.059","","","","has coordinates","272521","2022-02-04","00:45:01",""
"1566290","7.9321","0.0001","10.0348","0.0001","18.6923","0.0002","90","","91.815","0.001","90","","1487.11","0.03","100.1","0.2","100.1","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C64 H68 O24 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic Muyocopron laterale.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0347","0.0334","","","0.0865","0.0874","","","","","","1.07","","","","has coordinates","272522","2022-02-04","00:45:32",""
"1566291","8.0867","0.0001","10.26","0.0001","17.8397","0.0002","90","","100.578","0.001","90","","1455","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C64 H68 O24 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic Muyocopron laterale.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0368","0.0363","","","0.0984","0.0989","","","","","","1.084","","","","has coordinates","272523","2022-02-04","00:46:02",""
"1566296","11.6684","0.0004","8.063","0.0003","29.5996","0.001","90","","98.518","0.002","90","","2754.08","0.17","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O7 -","- C28 H44 O7 -","- C112 H176 O28 -","4","2","","Zhang, Xiuyun; Liu, Yao; Deng, Jili; Xia, Jiankai; Zhang, Qiang; Chen, Xin; Liu, Runze; Gao, Yuqi; Gao, Jin-Ming","Structurally Diverse Sesquiterpenoid Glycoside Esters from Pittosporum qinlingense with Anti-neuroinflammatory Activity.","Journal of natural products","2022","85","1","115","126","10.1021/acs.jnatprod.1c00544","","","1.54178","CuKα","","0.0349","0.0318","","","0.0819","0.0845","","","","","","1.039","","","","has coordinates","272528","2022-02-04","00:48:22",""
"1566297","4.705","0.0001","12.2221","0.0003","12.1951","0.0003","90","","99.486","0.002","90","","691.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove Hibiscus tiliaceus.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","1.54184","CuKα","","0.0393","0.0378","","","0.1042","0.1056","","","","","","1.056","","","","has coordinates","272529","2022-02-04","00:48:53",""
"1566298","5.832","0.0001","11.0477","0.0001","24.6078","0.0003","90","","93.38","0.001","90","","1582.73","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","2","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove Hibiscus tiliaceus.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","1.54184","CuKα","","0.0357","0.0342","","","0.0887","0.0897","","","","","","1.044","","","","has coordinates","272530","2022-02-04","00:49:23",""
"1566313","11.4201","0.0001","17.9796","0.0001","12.1277","0.0001","90","","90.12","0.001","90","","2490.16","0.03","100","2","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H22 B2 S2 -","- C32 H22 B2 S2 -","- C128 H88 B8 S8 -","4","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","1.54184","CuKα","","0.0305","0.0305","","","0.0819","0.0819","","","","","","1.022","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566331","8.4222","0.0001","8.6086","0.0001","15.573","0.0002","90","","93.674","0.001","90","","1126.77","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C48 H58 N2 O12 -","2","1","","You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng","Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules","Chemical Science","2022","13","8","2310","2316","10.1039/D1SC06757E","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0717","0.0723","","","","","","1.04","","","","has coordinates","273349","2022-03-04","22:06:18",""
"1566352","10.32624","0.00013","15.5828","0.0002","11.74267","0.00016","90","","106.113","0.0014","90","","1815.31","0.04","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F N2 O4 -","- C17 H23 F N2 O4 -","- C68 H92 F4 N8 O16 -","4","2","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0307","0.0273","","","0.064","0.0687","","","","","","1.027","","","","has coordinates,has disorder","272951","2022-02-14","23:10:11",""
"1566355","12.8885","0.0003","5.3127","0.0002","15.1705","0.0004","90","","95.058","0.002","90","","1034.72","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl F N2 O4 -","- C21 H24 Cl F N2 O4 -","- C42 H48 Cl2 F2 N4 O8 -","2","1","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0372","0.0361","","","0.0916","0.0927","","","","","","1.049","","","","has coordinates","272951","2022-02-14","23:10:13",""
"1566395","9.0523","0.0003","30.808","0.0009","18.3037","0.0009","90","","102.668","0.004","90","","4980.3","0.3","135","0.13","135","0.13","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H42 F12 Fe N14 P2 -","- C46 H42 F12 Fe N14 P2 -","- C184 H168 F48 Fe4 N56 P8 -","4","2","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0614","0.0512","","","0.1307","0.1367","","","","","","0.997","","","","has coordinates","273036","2022-02-18","23:15:34",""
"1566396","9.55236","0.00016","18.1504","0.0003","15.00388","0.00019","90","","102.111","0.0014","90","","2543.46","0.07","189.99","0.15","189.99","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H42 F12 Fe N14 P2 -","- C46 H42 F12 Fe N14 P2 -","- C92 H84 F24 Fe2 N28 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0477","0.0442","","","0.1178","0.1216","","","","","","1.043","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566400","9.45496","0.00009","17.9858","0.00015","14.95322","0.00014","90","","101.545","0.0009","90","","2491.42","0.04","80","0.5","80","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H42 F12 Fe N14 P2 -","- C46 H42 F12 Fe N14 P2 -","- C92 H84 F24 Fe2 N28 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0358","0.0355","","","0.0918","0.0923","","","","","","1.039","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566404","10.9625","0.0016","9.5991","0.0014","14.075","0.002","90","","97.804","0.004","90","","1467.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 F O5 -","- C37 H31 F O5 -","- C74 H62 F2 O10 -","2","1","","Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin","Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes","Chemical Science","2022","","","","","10.1039/D1SC06364B","","","1.54178","CuKα","","0.0258","0.0258","","","0.0638","0.0638","","","","","","1.057","","","","has coordinates","273131","2022-02-23","23:10:15",""
"1566412","12.196","0.0005","6.2725","0.0002","13.2067","0.0007","90","","97.53","0.004","90","","1001.59","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O2 -","- C25 H32 O2 -","- C50 H64 O4 -","2","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0874","0.0858","","","0.2572","0.2587","","","","","","1.083","","","","has coordinates","273146","2022-02-24","23:10:04",""
"1566423","8.92","0.0018","18.338","0.004","14.723","0.003","90","","99.61","0.03","90","","2374.5","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 N O5 S Si -","- C23 H29 N O5 S Si -","- C92 H116 N4 O20 S4 Si4 -","4","2","","Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel","Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes","Chemical Science","2022","","","","","10.1039/D2SC00203E","","","0.71073","Synchrotron","","0.05","0.0465","","","0.1244","0.131","","","","","","1.072","","","","has coordinates","273168","2022-02-25","23:12:28",""
"1566529","10.7967","0.0017","21.163","0.003","15.164","0.002","90","","96.979","0.003","90","","3439.2","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 H103 Ga2 N7 Sb2 Si -","- C65 H103 Ga2 N7 Sb2 Si -","- C130 H206 Ga4 N14 Sb4 Si2 -","2","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0413","0.0323","","","0.0658","0.0689","","","","","","1.036","","","","has coordinates","273286","2022-03-03","23:13:00",""
"1566551","7.18","0.002","4.628","0.0011","48.944","0.012","90","","92.55","0.03","90","","1624.8","0.7","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H29 N O -","- C17 H29 N O -","- C34 H58 N2 O2 -","2","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of Microcos paniculata.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","x-ray","1.54178","CuKα","","0.1288","0.0987","","","0.2885","0.3282","","","","","","0.994","","","","has coordinates","273301","2022-03-04","00:30:03",""
"1566552","12.37896","0.00019","5.01515","0.00014","13.9105","0.0003","90","","99.1891","0.0016","90","","852.51","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O3 -","- C17 H31 N O3 -","- C34 H62 N2 O6 -","2","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of Microcos paniculata.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","x-ray","1.54184","CuKα","","0.0325","0.0321","","","0.0885","0.0892","","","","","","1.042","","","","has coordinates","273302","2022-03-04","00:30:29",""
"1566572","10.1989","0.0005","8.7455","0.0004","15.8721","0.0009","90","","99.068","0.005","90","","1398.01","0.12","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O12 -","- C26 H31 N O12 -","- C52 H62 N2 O24 -","2","1","","Fitzgerald, Liam S.; O’Malley, Ciaran; Murphy, Paul V.","(1R,2R,3S,4R)-1-(Acetylamino)-2,4,5-tris(acetyloxy)-1-((2S)-4-(benzyloxy)-5-oxo-2,5-dihydrofuran-2-yl)pentan-3-yl Acetate","Molbank","2022","2022","1","M1337","","10.3390/M1337","","","0.71073","MoKα","","0.0959","0.0458","","","0.1076","0.1185","","","","","","0.795","","","","has coordinates,has disorder","273457","2022-03-05","17:45:26",""
"1566589","11.1324","0.0007","7.5493","0.0006","16.7445","0.0013","90","","90.526","0.007","90","","1407.18","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 Cl N O2 -","- C33 H34 Cl N O2 -","- C66 H68 Cl2 N2 O4 -","2","1","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.0629","0.0505","","","0.1279","0.1415","","","","","","1.022","","","","has coordinates,has disorder","273621","2022-03-10","23:19:19",""
"1566593","11.0831","0.0004","6.8389","0.0003","12.0729","0.0005","90","","109.142","0.002","90","","864.48","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C40 H40 N4 O2 S2 -","2","1","","Li, Yanjun; Liou, Yan-Cheng; Chen, Xinran; Ackermann, Lutz","Thioether-enabled palladium-catalyzed atroposelective C–H olefination for N−C and C−C axial chirality","Chemical Science","2022","","","","","10.1039/D2SC00748G","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.0714","0.0723","","","","","","1.063","","","","has coordinates","273623","2022-03-10","23:21:09",""
"1566594","10.816","0.002","7.0106","0.0015","13.169","0.003","90","","106.833","0.004","90","","955.8","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(Methyl-α-D-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","3-Ethenyl-1-(methyl-α-D-glucopyranosid-6-yl)imidazolium iodide dimethylformamide monosolvate","","- C15 H26 I N3 O6 -","- C15 H26 I N3 O6 -","- C30 H52 I2 N6 O12 -","2","1","VM4051","Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan","1-(Methyl-α-D-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","IUCrData","2022","7","3","x220265","","10.1107/S2414314622002656","","","0.71073","MoKα","","0.0322","0.0283","","","0.0588","0.0603","","","","","","1.032","","","","has coordinates,has Fobs","273642","2022-03-11","03:34:45",""
"1566608","16.9205","0.0005","17.5657","0.0005","21.7093","0.0005","90","","90.98","0.002","90","","6451.5","0.3","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92 H182 Fe N4 O32 Si16 -","- C92 H182 Fe N4 O32 Si16 -","- C184 H364 Fe2 N8 O64 Si32 -","2","1","","Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Chiral Molecular Nanosilicas","Chemical Science","2022","","","","","10.1039/D2SC00793B","","x-ray","1.54184","CuKα","","0.1169","0.1084","","","0.2987","0.3063","","","","","","1.014","","","","has coordinates","273685","2022-03-14","23:14:08",""
"1566611","10.3779","0.0006","7.2974","0.0004","33.47","0.003","90","","98.797","0.006","90","","2504.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 F O4 -","- C28 H41 F O4 -","- C112 H164 F4 O16 -","4","2","","Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos","Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters","Chemical Science","2022","","","","","10.1039/D2SC00968D","","","0.71075","MoKα","","0.0942","0.0535","","","0.1122","0.1279","","","","","","0.966","","","","has coordinates","273704","2022-03-15","23:15:29",""
"1566677","10.04584","0.00004","19.87397","0.00012","12.32816","0.00006","90","","95.9688","0.0004","90","","2447.98","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O8 S -","- C25 H30 O8 S -","- C100 H120 O32 S4 -","4","2","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0299","0.0293","","","0.0772","0.0779","","","","","","1.045","","","","has coordinates","273877","2022-03-21","23:14:28",""
"1566683","10.1269","0.0006","8.043","0.0005","10.8756","0.0007","90","","114.408","0.002","90","","806.66","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C32 H38 N2 O12 S2 -","2","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0305","0.0296","","","0.0741","0.0764","","","","","","1.09","","","","has coordinates","273900","2022-03-22","23:10:11",""
"1566684","11.0402","0.0009","9.5966","0.0008","12.5085","0.001","90","","115.079","0.002","90","","1200.32","0.17","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H26 F6 N3 O7 S2 -","- C17 H26 F6 N3 O7 S2 -","- C34 H52 F12 N6 O14 S4 -","2","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0471","0.0464","","","0.1194","0.1203","","","","","","1.037","","","","has coordinates,has disorder","273900","2022-03-22","23:10:11",""
"1566686","13.5261","0.0007","12.674","0.0006","25.4683","0.0012","90","","99.78","0.002","90","","4302.6","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C160 H218 N8 O49 S8 -","- C160 H218 N8 O49 S8 -","- C160 H218 N8 O49 S8 -","1","0.5","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0324","0.03","","","0.0692","0.071","","","","","","1.05","","","","has coordinates","273900","2022-03-22","23:10:11",""
"1566724","9.6064","0.0001","7.9331","0.0001","13.748","0.0001","90","","101.106","0.001","90","","1028.09","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C46 H46 Cl2 N4 O4 -","2","1","","Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction","Chemical Science","2022","","","","","10.1039/D1SC07271D","","x-ray","1.54184","CuKα","","0.035","0.0342","","","0.0897","0.0902","","","","","","1.1","","","","has coordinates","274137","2022-03-30","22:16:37",""
"1566728","7.1533","0.0016","11.936","0.003","9.004","0.002","90","","98.128","0.005","90","","761.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one","","- C15 H14 Cl N5 O2 -","- C15 H14 Cl N5 O2 -","- C30 H28 Cl2 N10 O4 -","2","1","VM4052","Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one","IUCrData","2022","7","3","x220342","","10.1107/S241431462200342X","","","0.71073","MoKα","","0.0451","0.0418","","","0.0973","0.0998","","","","","","1.037","","","","has coordinates,has Fobs","274192","2022-04-01","02:24:28",""
"1566750","3.76719","0.00012","6.2632","0.0002","24.1516","0.0007","90","","92.008","0.003","90","","569.5","0.03","298","17","297.96","0.17","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H6 F5 N3 -","- C12 H6 F5 N3 -","- C24 H12 F10 N6 -","2","1","","Peng, Hang; Qi, Jun-Chao; Song, Xian-Jiang; Xiong, Ren-Gen; Liao, Wei-Qiang","An Unprecedented Azobenzene-Based Organic Single-Component Ferroelectric","Chemical Science","2022","","","","","10.1039/D2SC00689H","","x-ray","1.54184","CuKα","","0.0574","0.0539","","","0.1505","0.1575","","","","","","1.124","","","","has coordinates","274360","2022-04-05","22:22:53",""
"1566753","15.5383","0.0004","19.2201","0.0005","41.5739","0.0012","90","","94.273","0.002","90","","12381.4","0.6","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C113.5 H132 F12 N4 O24.5 Rh4 S4 -","- C104 H104 F12 N4 O20 Rh4 S4 -","- C416 H416 F48 N16 O80 Rh16 S16 -","4","2","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","","0.71073","MoKα","","0.11","0.0834","","","0.2272","0.2525","","","","","","1.013","","","","has coordinates,has disorder","274361","2022-04-05","22:25:34",""
"1566766","12.27766","0.00009","24.87997","0.00017","14.9006","0.00011","90","","94.3187","0.0006","90","","4538.73","0.06","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C148 H264 Al4 K4 N8 O20 S4 Si8 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0365","0.0356","","","0.0955","0.0965","","","","","","1.022","","","","has coordinates,has disorder","274416","2022-04-07","22:09:34",""
"1566772","13.007","0.0012","20.8259","0.0016","13.9625","0.0014","90","","106.566","0.003","90","","3625.2","0.6","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H96 N15 O13 P -","- C67 H96 N15 O13 P -","- C134 H192 N30 O26 P2 -","2","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.1797","0.0954","","","0.2187","0.2734","","","","","","1.038","","","","has coordinates","274436","2022-04-08","22:17:23",""
"1566773","11.9428","0.0005","25.5121","0.0009","12.5127","0.0004","90","","92.975","0.001","90","","3807.3","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H44 Cl2 N12 O5 -","- C77 H116 Cl2 N12 O5 -","- C154 H232 Cl4 N24 O10 -","2","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.0434","0.0425","","","0.1156","0.1166","","","","","","0.732","","","","has coordinates","274436","2022-04-08","22:17:24",""
"1566831","9.351","0.004","14.475","0.006","12.042","0.005","90","","111.149","0.009","90","","1520.2","1.1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H24 N3 P S4 -","- C36 H24 N3 P S4 -","- C72 H48 N6 P2 S8 -","2","1","","Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.","Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides","Chemical Science","2022","","","","","10.1039/D2SC00990K","","","0.71073","MoKα","","0.0242","0.021","","","0.0454","0.0467","","","","","","1.098","","","","has coordinates","274604","2022-04-20","22:11:16",""
"1566833","9.3508","0.0004","14.3508","0.0007","11.9256","0.0006","90","","111.396","0.001","90","","1490.02","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H24 N3 P0.5 S4 Se -","- C36 H24 N3 P S3 Se -","- C72 H48 N6 P2 S6 Se2 -","2","1","","Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.","Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides","Chemical Science","2022","","","","","10.1039/D2SC00990K","","","0.71073","MoKα","","0.0335","0.0264","","","0.0562","0.059","","","","","","0.927","","","","has coordinates","274604","2022-04-20","22:11:17",""
"1566834","7.6764","0.0006","5.887","0.0003","9.6143","0.0006","90","","94.575","0.004","90","","433.1","0.05","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","L-tyrosine","2-amino-3-(4-hydroxyphenyl)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C18 H22 N2 O6 -","2","1","","Smalley, Christopher J. H.; Hoskyns, Harriet E.; Hughes, Colan E.; Johnstone, Duncan N.; Willhammar, Tom; Young, Mark T.; Pickard, Christopher J.; Logsdail, Andrew J.; Midgley, Paul A.; Harris, Kenneth D. M.","A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine","Chemical Science","2022","","","","","10.1039/D1SC06467C","powder diffraction","x-ray","1.54056","CuKα~1~","","0.1145","","","","","","","","1.296","","","","","","","has coordinates","274605","2022-04-20","22:11:51",""
"1566845","19.2717","0.0002","16.1154","0.0002","19.692","0.0003","90","","93.454","0.001","90","","6104.66","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C117 H190 Br6 Mg6 N8 O6 -","- C117 H190 Br6 Mg6 N8 O6 -","- C234 H380 Br12 Mg12 N16 O12 -","2","1","","Monasterolo, Claudio; O'Gara, Ryan; Kavanagh, Saranna; Byrne, Sadbh Elise; Bieszczad, Bartosz; Murray, Orla; Wiesinger, Michael; Lynch, Rebecca; Nikitin, Kirill; Gilheany, Declan Gerard","Asymmetric addition of Grignard reagents to ketones: culmination of the ligand-mediated methodology allows modular construction of chiral tertiary alcohols","Chemical Science","2022","","","","","10.1039/D1SC06350B","","","1.54184","CuKα","","0.0576","0.0432","","","0.0991","0.1078","","","","","","1.028","","","","has coordinates,has disorder","274608","2022-04-20","22:15:53",""
"1566846","15.0842","0.0002","18.1183","0.0002","15.8577","0.0002","90","","109.235","0.0009","90","","4091.96","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Br2 N O2 -","- C20 H23 Br2 N O2 -","- C160 H184 Br16 N8 O16 -","8","4","","Monasterolo, Claudio; O'Gara, Ryan; Kavanagh, Saranna; Byrne, Sadbh Elise; Bieszczad, Bartosz; Murray, Orla; Wiesinger, Michael; Lynch, Rebecca; Nikitin, Kirill; Gilheany, Declan Gerard","Asymmetric addition of Grignard reagents to ketones: culmination of the ligand-mediated methodology allows modular construction of chiral tertiary alcohols","Chemical Science","2022","","","","","10.1039/D1SC06350B","","","1.54184","CuKα","","0.0302","0.0276","","","0.0669","0.0686","","","","","","1.024","","","","has coordinates","274608","2022-04-20","22:15:54",""
"1566852","10.2116","0.0002","22.6532","0.0005","10.5288","0.0002","90","","114.869","0.0009","90","","2209.74","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H35 Cl N2 O P2 -","- C18 H35 Cl N2 O P2 -","- C72 H140 Cl4 N8 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0451","0.0356","","","0.0913","0.094","","","","","","1.035","","","","has coordinates","274670","2022-04-25","22:23:23",""
"1566858","15.1934","0.0002","13.5842","0.0002","20.878","0.0003","90","","101.6","0.0007","90","","4221.01","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H45 N3 O P2 -","- C26 H45 N3 O P2 -","- C156 H270 N18 O6 P12 -","6","3","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.066","0.039","","","0.0803","0.0883","","","","","","0.98","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566859","10.0206","0.0002","28.85","0.0006","11.9155","0.0003","90","","110.382","0.001","90","","3229.03","0.13","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.082","0.0516","","","0.1215","0.1335","","","","","","1.021","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566869","9.9808","0.0001","28.802","0.0003","11.8786","0.0002","90","","109.431","0.0004","90","","3220.21","0.07","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0743","0.0423","","","0.0935","0.1041","","","","","","1.021","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566870","14.2761","0.0011","11.8123","0.001","18.2335","0.0017","90","","97.663","0.005","90","","3047.3","0.5","220","2","220","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H48 I N3 O P2 -","- C23 H48 I N3 O P2 -","- C92 H192 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.1228","0.0656","","","0.1712","0.2067","","","","","","1.051","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566871","9.9968","0.0001","28.7847","0.0004","11.8857","0.0002","90","","109.645","0.0006","90","","3221.1","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0691","0.0423","","","0.0889","0.0978","","","","","","1.03","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566872","9.6161","0.0006","35.768","0.002","9.7814","0.0006","90","","98.955","0.002","90","","3323.3","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H54 I N3 O P2 -","- C27 H54 I N3 O P2 -","- C108 H216 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0336","0.033","","","0.0908","0.0917","","","","","","1.037","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566880","6.9528","0.0001","13.3069","0.0001","37.0562","0.0004","90","","91.951","0.001","90","","3426.46","0.07","169.97","0.11","169.97","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H32 O4 -","- C50 H32 O4 -","- C200 H128 O16 -","4","2","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","1.54184","CuKα","","0.036","0.0341","","","0.0883","0.0894","","","","","","1.038","","","","has coordinates","274723","2022-04-27","22:15:17",""
"1566884","10.9647","0.0001","18.7819","0.0001","14.2842","0.0001","90","","98.404","0.001","90","","2910.07","0.04","169.99","0.12","169.99","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H34 O3 -","- C39 H34 O3 -","- C156 H136 O12 -","4","2","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","1.54184","CuKα","","0.0392","0.0378","","","0.1019","0.1033","","","","","","1.052","","","","has coordinates,has disorder","274723","2022-04-27","22:15:18",""
"1566895","10.5045","0.0014","16.82","0.002","11.0991","0.0015","90","","112.514","0.002","90","","1811.6","0.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H34 F3 O12 P S -","- C33 H34 F3 O12 P S -","- C66 H68 F6 O24 P2 S2 -","2","1","","Liu, Fen; Huang, Haiyang; Sun, Longgen; Yan, Zeen; Tan, Xiao; Li, Jing; Luo, Xinyue; Ding, Haixin; Xiao, Qiang","P(v) intermediate-mediated E1cB elimination for the synthesis of glycals","Chemical Science","2022","","","","","10.1039/D2SC01423H","","","0.71073","MoKα","","0.0847","0.056","","","0.1357","0.1534","","","","","","1.027","","","","has coordinates","274806","2022-05-02","22:25:35",""
"1566903","16.99261","0.00018","6.02635","0.00007","17.4076","0.0002","90","","107.831","0.0012","90","","1696.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","4-Amino-5-(4-bromobenzoyl)-3-(benzo[d]thiazol-2-yl)-2-[(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)sulfanyl]thiophene","","- C32 H29 Br N2 O10 S3 -","- C32 H29 Br N2 O10 S3 -","- C64 H58 Br2 N4 O20 S6 -","2","1","MW2186","Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G.","4-Amino-5-(4-bromobenzoyl)-3-(benzo[d]thiazol-2-yl)-2-[(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)sulfanyl]thiophene","IUCrData","2022","7","4","x220412","","10.1107/S2414314622004126","","x-ray","1.54184","CuKα","","0.0234","0.0232","","","0.0616","0.0618","","","","","","1.039","","","","has coordinates,has Fobs","274834","2022-05-03","02:39:25",""
"1566929","6.6931","0.0002","8.4975","0.0002","9.8328","0.0002","90","","102.711","0.0009","90","","545.53","0.02","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H8 Cr N4 Ni O5 -","- C8 H8 Cr N4 Ni O5 -","- C16 H16 Cr2 N8 Ni2 O10 -","2","1","","Tang, Hsu-Yen; Lee, Gene-Hsiang; Ng, Kwai-Kong; Yang, Chen-I","A Three-Dimensional Coordination Framework with a Ferromagnetic Coupled Ni(II)-CrO4 Layer: Synthesis, Structure, and Magnetic Studies","Polymers","2022","14","9","1735","","10.3390/polym14091735","","","0.71073","MoKα","","0.0274","0.0255","","","0.0598","0.0611","","","","","","1.03","","","","has coordinates,has disorder","275147","2022-05-06","21:51:17",""
"1566930","9.6464","0.0002","23.7748","0.0006","10.1622","0.0003","90","","112.225","0.003","90","","2157.46","0.11","296","9","296","9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H54 N2 O4 -","- C54 H54 N2 O4 -","- C108 H108 N4 O8 -","2","1","","Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min","Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction","Chemical Science","2022","","","","","10.1039/D2SC01887J","","x-ray","1.54184","CuKα","","0.1021","0.0888","","","0.2268","0.2496","","","","","","1.007","","","","has coordinates","275149","2022-05-06","22:08:11",""
"1566967","10.8852","0.0004","15.2484","0.0004","12.4719","0.0005","90","","114.466","0.005","90","","1884.23","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H54 N5 O5 Ta -","- C38 H54 N5 O5 Ta -","- C76 H108 N10 O10 Ta2 -","2","1","","Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian","Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations","Chemical Science","2022","","","","","10.1039/D2SC01926D","","x-ray","0.71073","MoKα","","0.044","0.0313","","","0.0556","0.0582","","","","","","1.027","","","","has coordinates","275380","2022-05-12","22:18:41",""
"1567007","13.9655","0.0004","39.9035","0.001","15.4673","0.0003","90","","100.516","0.002","90","","8474.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C156 H144 Cl6 N12 O6 -","- C156 H144 Cl6 N12 O6 -","- C312 H288 Cl12 N24 O12 -","2","1","","Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong","Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components","Chemical Science","2022","","","","","10.1039/D2SC01876D","","","1.54178","CuKα","","0.1196","0.0821","","","0.2092","0.2295","","","","","","0.905","","","","has coordinates","275586","2022-05-20","22:23:06",""
"1567008","14.1106","0.0003","40.2961","0.001","15.5297","0.0003","90","","101.091","0.002","90","","8665.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C156 H144 Cl6 N12 O6 -","- C156 H144 Cl6 N12 O6 -","- C312 H288 Cl12 N24 O12 -","2","1","","Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong","Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components","Chemical Science","2022","","","","","10.1039/D2SC01876D","","","1.54178","CuKα","","0.0622","0.0551","","","0.1614","0.1669","","","","","","1.078","","","","has coordinates","275586","2022-05-20","22:23:07",""
"1567050","6.7358","0.0001","11.9489","0.0002","11.5149","0.0002","90","","103.165","0.002","90","","902.42","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H21 B11 -","- C15 H21 B11 -","- C30 H42 B22 -","2","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0483","0.0466","","","0.1221","0.1245","","","","","","1.032","","","","has coordinates","275750","2022-06-02","22:15:10",""
"1567061","12.3347","0.0001","21.712","0.0001","13.3034","0.0001","90","","115.859","0.001","90","","3206.05","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 B11 N -","- C32 H38 B11 N -","- C128 H152 B44 N4 -","4","2","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0425","0.0404","","","0.1032","0.1064","","","","","","1.018","","","","has coordinates,has disorder","275750","2022-06-02","22:15:13",""
"1567071","9.65133","0.00009","11.74209","0.00011","25.3227","0.0002","90","","90.6825","0.0008","90","","2869.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","4","","Liu, Teng; Ni, Shaofei; Guo, Wusheng","Practical asymmetric amine nucleophilic approach for the modular construction of protected α-quaternary amino acids","Chemical Science","2022","","","","","10.1039/D2SC02318K","","x-ray","1.54184","CuKα","","0.0348","0.0333","","","0.0838","0.0853","","","","","","1.046","","","","has coordinates","275840","2022-06-06","22:12:42",""
"1567072","7.1241","0.0005","34.022","0.002","7.3539","0.0005","90","","90.288","0.004","90","","1782.4","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N5 O5 -","- C18 H17 N5 O5 -","- C72 H68 N20 O20 -","4","2","","Zhang, Dequan; Wen, Jialin; Zhang, Xumu","Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids","Chemical Science","2022","13","24","7215","7223","10.1039/D2SC02139K","","x-ray","1.54178","CuKα","","0.0391","0.0348","","","0.0815","0.0843","","","","","","1.07","","","","has coordinates","276588","2022-07-06","07:54:00",""
"1567103","14.2647","0.0001","52.2312","0.001","19.5113","0.0003","90","","91.295","0.001","90","","14533.4","0.4","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C174 H177.6 Cl24 N24 O4.46 Pd12 -","- C174 H177.6 Cl24 N24 O4.46 Pd12 -","- C348 H355.2 Cl48 N48 O8.92 Pd24 -","2","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","x-ray","1.54187","CuKα","","0.1287","0.1006","","","0.2805","0.3087","","","","","","1.095","","","","has coordinates,has disorder","276005","2022-06-13","22:11:24",""
"1567107","14.3205","0.0001","50.1973","0.0012","19.4935","0.0003","90","","91.679","0.001","90","","14006.9","0.4","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C179.1 H185.56 Cl24 N25 O2 Pd12 -","- C179.1 H185.56 Cl24 N25 O2 Pd12 -","- C358.2 H371.12 Cl48 N50 O4 Pd24 -","2","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","x-ray","1.54187","CuKα","","0.1966","0.1752","","","0.4605","0.4764","","","","","","1.795","","","","has coordinates,has disorder","276005","2022-06-13","22:11:25",""
"1567189","8.8091","0.0001","14.2922","0.0001","15.6275","0.0002","90","","97.274","0.001","90","","1951.69","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 N O P S -","- C10.25 H10.25 N0.25 P0.5 S0.25 -","- C82 H82 N2 P4 S2 -","8","4","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0436","0.0411","","","0.1134","0.1146","","","","","","1.055","","","","has coordinates","277097","2022-08-06","11:40:53",""
"1567190","8.647","0.003","20.509","0.007","8.854","0.0018","90","","101.501","0.013","90","","1538.7","0.8","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N3 O3 -","- C28 H26 N3 O3 -","- C56 H52 N6 O6 -","2","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","","0.71073","MoKα","","0.0775","0.0653","","","0.1751","0.1925","","","","","","1.057","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567198","18.0201","0.0003","14.3179","0.0002","18.0259","0.0003","90","","111.026","0.001","90","","4341.2","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","H-DPro-MePro-Glu-NH2 TFA","","- C18 H27 F3 N4 O7 -","- C18 H27 F3 N4 O7 -","- C144 H216 F24 N32 O56 -","8","4","","Schnitzer, Tobias; Rackl, Jonas W.; Wennemers, Helma","Stereoselective peptide catalysis in complex environments – from river water to cell lysates","Chemical Science","2022","","","","","10.1039/D2SC02044K","","x-ray","1.54178","CuKα","","0.0277","0.0273","","","0.0699","0.0703","","","","","","1.016","","","","has coordinates,has disorder","276410","2022-06-29","22:15:13",""
"1567234","5.7898","0.0003","8.4887","0.0005","15.9793","0.0009","90","","92.849","0.001","90","","784.38","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C34 H36 O8 S2 -","2","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0543","0.0429","","","0.1003","0.1042","","","","","","0.926","","","","has coordinates","276577","2022-07-05","22:10:55",""
"1567300","13.8302","0.0003","31.0949","0.0004","14.0653","0.0004","90","","118.148","0.003","90","","5333.4","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 Na O25 Si6 U2 -","- C72 H162 Na O25 Si6 U2 -","- C144 H324 Na2 O50 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0895","0.0809","","","0.2189","0.2285","","","","","","1.052","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567324","11.7284","0.0005","16.4573","0.0007","12.1115","0.0005","90","","113.811","0.002","90","","2138.75","0.16","135","2","135","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H65 Co N2 O5 Rh S2 -","- C42 H65 Co N2 O5 Rh S2 -","- C84 H130 Co2 N4 O10 Rh2 S4 -","2","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0281","0.0242","","","0.0539","0.0556","","","","","","1.037","","","","has coordinates,has disorder","276806","2022-07-22","22:56:50",""
"1567399","10.1252","0.0003","18.0882","0.0005","13.3966","0.0005","90","","103.606","0.003","90","","2384.69","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H65 Mn N7 O3 Si2 -","- C48 H65 Mn N7 O3 Si2 -","- C96 H130 Mn2 N14 O6 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0605","0.0511","","","0.1279","0.1399","","","","","","1.05","","","","has coordinates,has disorder","277001","2022-07-29","22:06:30",""
"1567400","9.522","0.0001","18.7589","0.0002","13.6576","0.0002","90","","97.022","0.001","90","","2421.25","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H75 Mn N7 P2 Si2 -","- C45 H75 Mn N7 P2 Si2 -","- C90 H150 Mn2 N14 P4 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0447","0.0407","","","0.1048","0.1093","","","","","","1.054","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567414","6.3457","0.00007","12.49324","0.00016","29.7405","0.0004","90","","93.4861","0.0011","90","","2353.41","0.05","296","0.9","296","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","2","","Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends","Chemical Science","2022","13","32","9265","9270","10.1039/D2SC02985E","","x-ray","1.54184","CuKα","","0.0543","0.0505","","","0.1373","0.1426","","","","","","1.037","","","","has coordinates","277656","2022-09-06","09:56:04",""
"1567425","11.826","0.002","7.8223","0.0013","12.199","0.002","90","","118.99","","90","","987.1","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing","Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide","Chemical Science","2022","13","30","8834","8839","10.1039/D2SC02497G","","","0.71073","MoKα","","0.0326","0.0301","","","0.081","0.083","","","","","","1.009","","","","has coordinates","277072","2022-08-04","22:09:22",""
"1567448","13.375","0.0004","6.5182","0.0002","18.2995","0.0006","90","","98.281","0.001","90","","1578.73","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H28 B Cl2 N3 O2 -","- C40 H28 B Cl2 N3 O2 -","- C80 H56 B2 Cl4 N6 O4 -","2","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.049","0.0463","","","0.1279","0.1302","","","","","","1.053","","","","has coordinates,has disorder","277660","2022-09-06","09:57:06",""
"1567515","7.3391","0.0001","10.8689","0.0002","11.7668","0.0002","90","","96.085","0.001","90","","933.33","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Kurosawa, Miki B.; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","Unified Synthesis of Multiply Arylated Alkanes by Catalytic Deoxygenative Transformation of Diarylketones","Chemical Science","2022","","","","","10.1039/D2SC03720C","","x-ray","1.54184","CuKα","","0.0331","0.0315","","","0.0761","0.0773","","","","","","1.043","","","","has coordinates","287927","2023-12-01","08:31:09",""
"1567520","8.2802","0.0006","11.1074","0.0008","13.0738","0.0009","90","","90.752","0.002","90","","1202.31","0.15","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","insuetusin B7","","","- C26 H38 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0285","0.0283","","","0.079","0.0792","","","","","","1.036","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567525","9.8124","0.0007","10.5313","0.0007","27.852","0.002","90","","90.936","0.002","90","","2877.8","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O8 S -","- C29 H45 N O8 S -","- C116 H180 N4 O32 S4 -","4","2","","Kukor, Andrew J.; Depner, Noah; Cai, Isabelle; Tucker, John; Culhane, Jeffrey C.; Hein, Jason E.","Enantioselective Synthesis of (-)-Tetrabenazine Via Continuous Crystallization-Induced Diastereomer Transformation","Chemical Science","2022","","","","","10.1039/D2SC01825J","","x-ray","0.71073","MoKα","","0.0424","0.0369","","","0.0889","0.0911","","","","","","1.042","","","","has coordinates","277390","2022-08-24","22:06:11",""
"1567538","9.28","0.001","17.0143","0.0019","10.0461","0.001","90","","115.351","0.005","90","","1433.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Balanna, Kuruva; Barik, Soumen; Shee, Sayan; Gonnade, Rajesh G.; Biju, Akkattu T.","Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones.","Chemical science","2022","13","39","11513","11518","10.1039/d2sc03745a","","","1.54178","CuKα","","0.0438","0.0433","","","0.1068","0.1073","","","","","","1.066","","","","has coordinates","278978","2022-11-07","05:19:49",""
"1567600","11.49","0.0007","7.2911","0.0006","20.791","0.0016","90","","93.2","0.004","90","","1739","0.2","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","chiral diborane 1","","","- C42 H52 B2 O2 -","- C42 H52 B2 O2 -","- C84 H104 B4 O4 -","2","1","","Sirin-Sariaslan, Ayla; Naumann, Stefan","Chiral diboranes as catalysts for the stereoselective organopolymerization of epoxides","Chemical Science","2022","","","","","10.1039/D2SC03977J","","","1.54178","CuKα","","0.068","0.0484","","","0.1187","0.1278","","","","","","1.041","","","","has coordinates","277718","2022-09-07","22:18:59",""
"1567608","10.9102","0.0003","6.1038","0.0002","14.7452","0.0004","90","","99.5","0.003","90","","968.47","0.05","173","0.1","173","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H29 N -","- C23 H29 N -","- C46 H58 N2 -","2","1","","Sun, Yue; Ma, Chun; Li, Zhiming; Zhang, Junliang","Palladium/GF-Phos-catalyzed asymmetric carbenylative amination to access chiral pyrrolidines and piperidines","Chemical Science","2022","13","37","11150","11155","10.1039/D2SC03999K","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1281","0.1301","","","","","","1.039","","","","has coordinates","278412","2022-10-07","00:49:33",""
"1567636","8.8663","0.0014","8.793","0.0014","10.1594","0.0016","90","","108.871","0.005","90","","749.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C34 H38 N2 O2 S2 -","2","1","","Zhang, Jian-Xin; Yang, Peng-Fei; Shu, Wei","Access to Dialkylated Allylic Stereogenic Centers by Ni-Catalysed Enantioselective Hydrovinylation of Unactivated Alkenes","Chemical Science","2022","","","","","10.1039/D2SC04350E","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0657","0.0658","","","","","","1.062","","","","has coordinates","277815","2022-09-13","22:11:31",""
"1567648","10.5777","0.0002","41.8595","0.0007","10.6059","0.0002","90","","115.198","0.001","90","","4249.18","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl (R)-(1-([1,1'-biphenyl]-4-yl)-2-oxo-2-phenylethyl)carbamate","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C200 H200 N8 O24 -","8","4","","Guo, Wengang; Jiang, Feng; Li, Shijia; Sun, Jianwei","Organocatalytic asymmetric azidation of sulfoxonium ylides: mild synthesis of enantioenriched α-azido ketones bearing a labile tertiary stereocenter.","Chemical science","2022","13","39","11648","11655","10.1039/d2sc03552a","","","1.54178","CuKα","","0.0425","0.0386","","","0.103","0.1071","","","","","","1.02","","","","has coordinates","278981","2022-11-07","05:20:19",""
"1567664","10.7335","0.0001","10.5743","0.0001","18.0208","0.0001","90","","95.2723","0.0007","90","","2036.69","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 Te4 -","- C16 H18 N2 Te4 -","- C64 H72 N8 Te16 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0263","0.0249","","0.0606","0.06","0.0606","","","","","","0.9937","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567695","9.5099","0.0004","9.8152","0.0004","13.7004","0.0005","90","","105.846","0.001","90","","1230.22","0.09","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0586","0.0438","","","0.0939","0.1015","","","","","","1.066","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567696","9.2899","0.0002","10.6993","0.0002","13.1402","0.0003","90","","107.074","0.001","90","","1248.51","0.05","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C68 H52 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0787","0.05","","","0.1117","0.1254","","","","","","1.048","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567704","9.4589","0.0006","9.3504","0.0005","12.948","0.0008","90","","110.298","0.007","90","","1074.06","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C54 H46 N2 O4 S2 -","2","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","0.71073","MoKα","","0.0358","0.0344","","","0.0785","0.0798","","","","","","1.123","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567706","6.0803","0.0003","8.5188","0.0004","13.8407","0.0006","90","","90.32","0.002","90","","716.89","0.06","123","","123","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl O2 -","- C17 H17 Cl O2 -","- C34 H34 Cl2 O4 -","2","1","","Stegbauer, Simone; Jandl, Christian; Bach, Thorsten","Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade","Chemical Science","2022","","","","","10.1039/D2SC03159K","","x-ray","0.71073","MoKα","","0.0249","0.0247","","","0.0665","0.0667","","","","","","1.05","","","","has coordinates","278327","2022-10-03","22:04:25",""
"1567757","8.092","0.0002","5.9484","0.0001","19.5057","0.0004","90","","98.051","0.002","90","","929.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 F O4 -","- C21 H23 F O4 -","- C42 H46 F2 O8 -","2","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","","1.54184","CuKα","","0.0312","0.0289","","","0.0721","0.0733","","","","","","1.044","","","","has coordinates","278974","2022-11-07","05:16:04",""
"1567784","16.0511","0.0005","7.76","0.0003","17.0992","0.0006","90","","117.512","0.001","90","","1888.96","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H54 Cl2 N2 O3 -","- C42 H54 Cl2 N2 O3 -","- C84 H108 Cl4 N4 O6 -","2","1","","Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin","Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes","Chemical Science","2022","","","","","10.1039/D2SC04789F","","","0.71073","MoKα","","0.0497","0.0412","","","0.109","0.113","","","","","","1.029","","","","has coordinates","278594","2022-10-14","22:17:14",""
"1567817","8.5649","0.0003","10.4376","0.0003","9.9968","0.0003","90","","98.418","0.001","90","","884.06","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","1","","Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle)","Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters","Chemical Science","2022","13","42","12498","12502","10.1039/D2SC03409C","","x-ray","1.54178","CuKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.071","","","","has coordinates","278970","2022-11-07","05:14:46",""
"1567872","17.3665","0.0011","11.5707","0.0006","17.4342","0.0011","90","","115.407","0.002","90","","3164.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl2 N2 O3 Ru -","- C33 H40 Cl2 N2 O3 Ru -","- C132 H160 Cl8 N8 O12 Ru4 -","4","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0335","0.0275","","","0.0545","0.0567","","","","","","1.042","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567876","10.5188","0.0001","8.8474","0.0001","11.0858","0.0002","90","","95.456","0.001","90","","1027.02","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl F3 N2 O3 -","- C20 H26 Cl F3 N2 O3 -","- C40 H52 Cl2 F6 N4 O6 -","2","1","","McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits","Chemical Science","2022","","","","","10.1039/D2SC05182F","","x-ray","1.54184","CuKα","","0.0299","0.0286","","","0.0755","0.0764","","","","","","1.072","","","","has coordinates,has disorder","278865","2022-10-29","08:24:09",""
"1567887","5.6781","0.0003","9.773","0.0006","15.2351","0.0009","90","","92.831","0.003","90","","844.4","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","1","","Guo, Jia; Ma, Hao-Ran; Xiong, Wen-Bin; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Iridium-Catalyzed Enantioselective Alkynylation and Kinetic Resolution of Alkyl Allylic Alcohols","Chemical Science","2022","","","","","10.1039/D2SC04892B","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0745","0.0747","","","","","","1.079","","","","has coordinates","278904","2022-11-01","23:11:17",""
"1567912","5.2957","0.0003","10.3964","0.0006","8.0451","0.0005","90","","95.262","0.006","90","","441.07","0.05","473","2","473","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0617","0.041","","","0.0608","0.0651","","","","","","0.945","","","","has coordinates","279059","2022-11-08","06:03:13",""
"1567913","5.2854","0.0004","10.3919","0.0008","8.0394","0.0007","90","","95.445","0.008","90","","439.57","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0526","0.0443","","","0.0938","0.0965","","","","","","0.99","","","","has coordinates","279060","2022-11-08","06:03:34",""
"1567914","5.2918","0.0003","10.3948","0.0006","8.0425","0.0005","90","","95.309","0.005","90","","440.5","0.05","423","2","423","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.054","0.0399","","","0.0657","0.0691","","","","","","1.004","","","","has coordinates","279061","2022-11-08","06:04:07",""
"1567915","5.284","0.0003","10.3901","0.0005","8.0347","0.0005","90","","95.359","0.005","90","","439.19","0.04","323","2","323","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0507","0.0388","","","0.0664","0.0692","","","","","","1.015","","","","has coordinates","279062","2022-11-08","06:04:36",""
"1567917","5.2882","0.0003","10.394","0.0005","8.0395","0.0005","90","","95.346","0.005","90","","439.97","0.04","373","2","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0526","0.0381","","","0.0637","0.068","","","","","","1.007","","","","has coordinates","279064","2022-11-08","06:05:28",""
"1567918","5.3037","0.0004","10.3959","0.0007","8.0483","0.0006","90","","95.285","0.007","90","","441.87","0.06","573","2","573","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0706","0.0459","","","0.0739","0.0801","","","","","","1.011","","","","has coordinates","279065","2022-11-08","06:05:47",""
"1567919","5.2986","0.0003","10.3948","0.0006","8.0462","0.0005","90","","95.263","0.006","90","","441.3","0.05","523","2","523","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0606","0.0423","","","0.0725","0.0779","","","","","","1.009","","","","has coordinates","279066","2022-11-08","06:06:07",""
"1567920","10.4698","0.0002","12.0899","0.0003","13.9747","0.0003","90","","107.666","0.002","90","","1685.48","0.07","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H57 Ce O2 -","- C37 H57 Ce O2 -","- C74 H114 Ce2 O4 -","2","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.71073","MoKα","","0.027","0.0226","","","0.0464","0.0474","","","","","","1.055","","","","has coordinates","279121","2022-11-08","23:13:20",""
"1567967","10.4636","0.0004","6.90652","0.00018","16.1323","0.0006","90","","108.458","0.004","90","","1105.86","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","SY 635","","- C25 H35.086 F0.914 O5 -","- C25 H35.087 F0.913 O5 -","- C50 H70.174 F1.826 O10 -","2","1","","Yakubov, Shahboz; Stockerl, Willibald J.; Tian, Xianhai; Shahin, Ahmed; Mandigma, Mark John P.; Gschwind, Ruth M.; Barham, Joshua P.","Benzoates as photosensitization catalysts and auxiliaries in efficient, practical, light-powered direct C(sp3)–H fluorinations","Chemical Science","2022","","","","","10.1039/D2SC05735B","","x-ray","1.54184","CuKα","","0.0666","0.0443","","","0.0947","0.1052","","","","","","1.0399","","","","has coordinates,has disorder","279236","2022-11-11","23:14:54",""
"1567991","11.7071","0.0007","4.7121","0.0002","12.4111","0.0008","90","","104.951","0.006","90","","661.48","0.07","298","2","298","","100","","100","","","","Drexel University","4","P 1 21 1","P 2yb","4","GHG","Gly-Ala-Gly","Gly-His-Gly","- C10 H17 N5 O5 -","- C10 H17 N5 O5 -","- C20 H34 N10 O10 -","2","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.02067","2.376","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567995","10.862","0.002","19.566","0.004","12.2","0.002","90","","111.654","0.01","90","","2409.8","0.8","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","compound [RhCl(L1)(P(Ad)2(n-Bu))]","","- C45 H61 Cl4 N O3 P Rh -","- C45 H61 Cl4 N O3 P Rh -","- C90 H122 Cl8 N2 O6 P2 Rh2 -","2","1","","Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael","Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules","Catalysis Science & Technology","2023","13","2","410","425","10.1039/D2CY01578A","","","0.71073","MoKα","","0.0575","0.0457","","","0.1091","0.1155","","","","","","1.041","","","","has coordinates,has disorder","281310","2023-03-04","17:35:18",""
"1568071","12.655","0.0003","7.1832","0.0002","13.9997","0.0003","90","","94.341","0.002","90","","1268.97","0.05","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0233","0.0222","","","0.0521","0.0526","","","","","","1.04","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19",""
"1568072","12.6402","0.0004","7.1773","0.0002","14.0019","0.0004","90","","94.296","0.003","90","","1266.72","0.06","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0295","0.0277","","","0.063","0.064","","","","","","1.033","","","","has coordinates","281489","2023-03-04","18:27:19",""
"1568088","13.325","0.005","12.768","0.005","16.802","0.007","90","","102.997","0.007","90","","2785.4","1.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Au O2 P -","- C31 H32 Au O2 P -","- C124 H128 Au4 O8 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0896","0.074","","","0.1663","0.1743","","","","","","1.011","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568091","13.2107","0.0004","12.0368","0.0004","17.3384","0.0006","90","","96.519","0.002","90","","2739.23","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H28 Au O3 P -","- C32 H28 Au O3 P -","- C128 H112 Au4 O12 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","1.54178","CuKα","","0.0526","0.0486","","","0.1243","0.1273","","","","","","1.055","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568164","9.1046","0.0007","7.8073","0.0006","15.404","0.0011","90","","101.618","0.007","90","","1072.52","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","1","0.5","","Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen","An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.","Chemical science","2023","14","5","1123","1131","10.1039/d2sc06181c","","","1.54184","CuKα","","0.0483","0.0412","","","0.1002","0.1058","","","","","","0.995","","","","has coordinates","281351","2023-03-04","17:50:34",""
"1568192","6.33251","0.00011","7.69444","0.00017","8.95591","0.00016","90","","96.8866","0.0017","90","","433.229","0.015","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 O2 S2 -","- C7 H10 O2 S2 -","- C14 H20 O4 S4 -","2","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0281","0.0281","","","0.0738","0.0738","","","","","","1.065","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568195","8.79278","0.00012","6.11294","0.00009","13.39685","0.00018","90","","90.4175","0.0012","90","","720.058","0.017","150","2","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0261","0.0258","","","0.0668","0.0671","","","","","","1.075","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568244","12.2556","0.0002","7.1074","0.0001","14.0867","0.0003","90","","98.156","0.002","90","","1214.62","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","S- ClMBA-Sn-Cl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0166","0.016","","","0.0362","0.0364","","","","","","1.035","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568246","12.242","0.0001","7.1142","0.0001","14.0909","0.0001","90","","98.195","0.001","90","","1214.67","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","R-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0338","0.0309","","","0.0828","0.0839","","","","","","1.003","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568247","12.2505","0.0002","7.1627","0.0001","14.0193","0.0002","90","","110.504","0.002","90","","1152.21","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","R-FMBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0417","0.0412","","","0.1098","0.1101","","","","","","1.054","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568248","12.2157","0.0011","7.1438","0.0005","13.9697","0.0015","90","","110.521","0.011","90","","1141.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","S-F MBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0222","0.0209","","","0.0481","0.0486","","","","","","1.072","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568272","8.6562","0.0007","23.5435","0.0018","11.2698","0.0009","90","","97.609","0.004","90","","2276.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S,3R)-2-methyl-3-(1-methyl-1H-indol-5-yl)-2-phenylcyclopropyl 3,5-dibromobenzoate","","- C26 H21 Br2 N O2 -","- C26 H21 Br2 N O2 -","- C104 H84 Br8 N4 O8 -","4","2","","Teresa, Javier; Velado, Marina; Fernández de la Pradilla, Roberto; Viso, Alma; Lozano, Blanca; Tortosa, Mariola","Enantioselective Suzuki cross-coupling of 1,2-diboryl cyclopropanes.","Chemical science","2023","14","6","1575","1581","10.1039/d2sc05789a","","","0.71073","MoKα","","0.0497","0.0319","","","0.0627","0.0698","","","","","","1.006","","","","has coordinates","283162","2023-05-05","01:04:03",""
"1568284","9.7335","0.001","12.7669","0.0013","10.7629","0.0011","90","","90.849","0.004","90","","1337.3","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C66 H54 N2 O6 S2 -","2","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0738","0.054","","","0.1333","0.145","","","","","","1.027","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568366","5.6676","0.0001","16.1685","0.0002","11.191","0.0001","90","","98.415","0.001","90","","1014.46","0.02","100","2","99.9","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H15 Ag F4 N4 O8 S4 -","- C10 H15 Ag F4 N4 O8 S4 -","- C20 H30 Ag2 F8 N8 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0392","0.0379","","","0.1035","0.1064","","","","","","1.037","","","","has coordinates","283153","2023-05-05","00:56:48",""
"1568381","7.2214","0.0005","28.506","0.002","13.0812","0.0009","90","","92.638","0.003","90","","2690","0.3","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Cl N O2 -","- C34 H26 Cl N O2 -","- C136 H104 Cl4 N4 O8 -","4","2","","Das, Saikat; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2023","14","12","3154","3159","10.1039/d2sc07065k","","","0.71073","MoKα","","0.0705","0.0681","","","0.1756","0.1777","","","","","","1.073","","","","has coordinates","282305","2023-04-04","10:04:40",""
"1568405","10.53468","0.00011","6.40021","0.00007","13.58053","0.00014","90","","106.401","0.0011","90","","878.396","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 S2 -","- C18 H18 N2 O3 S2 -","- C36 H36 N4 O6 S4 -","2","1","","Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve","Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.","Chemical science","2023","14","11","3010","3017","10.1039/d2sc07117g","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0684","0.0686","","","","","","1.054","","","","has coordinates,has disorder","282298","2023-04-04","10:02:12",""
"1568423","11.1508","0.0004","6.3344","0.0002","15.0399","0.0005","90","","99.417","0.001","90","","1048.01","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 S -","- C23 H24 Cl N O4 S -","- C46 H48 Cl2 N2 O8 S2 -","2","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters via asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0426","0.0345","","","0.0818","0.0849","","","","","","1.074","","","","has coordinates","282283","2023-04-04","09:54:43",""
"1568448","11.9085","0.0004","11.0443","0.0004","17.499","0.0007","90","","94.175","0.002","90","","2295.38","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.7749","Synchrotron","","0.0338","0.0291","","","0.0658","0.0678","","","","","","1.04","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568449","11.8009","0.0005","10.9639","0.0004","17.4087","0.0007","90","","94.329","0.004","90","","2245.98","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H62.15 D1.85 Fe2 N4 -","- C51 H62.15 D1.85 Fe2 N4 -","- C102 H124.3 D3.7 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0689","0.0642","","","0.1228","0.1261","","","","","","1.042","","","","has coordinates,has disorder","281385","2023-03-04","18:01:32",""
"1568450","11.8026","0.0003","10.9628","0.0003","17.4178","0.0005","90","","94.36","0.003","90","","2247.16","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0633","0.0568","","","0.1134","0.1175","","","","","","1.025","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568487","11.6897","0.0006","8.7462","0.0004","27.9426","0.0014","90","","97.984","0.003","90","","2829.2","0.2","297","2","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H25 Cl N4 O3 S -","- C31 H25 Cl N4 O3 S -","- C124 H100 Cl4 N16 O12 S4 -","4","2","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","","1.54178","CuKα","","0.0606","0.0455","","","0.1071","0.1176","","","","","","1.096","","","","has coordinates","282289","2023-04-04","09:57:27",""
"1568488","8.30066","0.00014","8.18447","0.00013","16.4485","0.0003","90","","104.387","0.0018","90","","1082.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0338","0.0327","","","0.0857","0.0865","","","","","","1.09","","","","has coordinates","282289","2023-04-04","09:57:32",""
"1568514","13.5817","0.0008","14.3505","0.0006","13.9019","0.0008","90","","116.465","0.004","90","","2425.6","0.2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H78 N2 O3 Sm -","- C55 H78 N2 O3 Sm -","- C110 H156 N4 O6 Sm2 -","2","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.079","0.0438","","","0.0888","0.1317","","","","","","1.239","","","","has coordinates,has disorder","281099","2023-02-23","07:57:44",""
"1568543","9.1898","0.0001","7.9984","0.0001","14.9186","0.0002","90","","94.829","0.001","90","","1092.68","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C50 H42 N2 O8 S2 -","2","1","","Zhou, Ji-Jia; Meng, Ya-Nan; Liu, Li-Gao; Liu, Yi-Xi; Xu, Zhou; Lu, Xin; Zhou, Bo; Ye, Long-Wu","Copper-catalyzed enantioselective diyne cyclization via C(sp2)-O bond cleavage.","Chemical science","2023","14","13","3493","3500","10.1039/d2sc06152j","","x-ray","1.54184","CuKα","","0.044","0.0419","","","0.1237","0.1248","","","","","","1.167","","","","has coordinates","282287","2023-04-04","09:56:26",""
"1568556","7.73185","0.00008","5.91229","0.00007","19.8978","0.0002","90","","92.4788","0.001","90","","908.736","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong","Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.","Chemical science","2023","14","12","3346","3351","10.1039/d2sc06548g","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.0681","0.0682","","","","","","1.077","","","","has coordinates","282309","2023-04-04","10:06:06",""
"1568642","12.9259","0.0001","9.9976","0.0001","19.7326","0.0001","90","","94.216","0.001","90","","2543.1","0.03","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 P S -","- C13 H19 P S -","- C104 H152 P8 S8 -","8","4","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1013","0.1018","","","","","","1.027","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568644","9.724","0.0001","22.5867","0.0001","10.3002","0.0001","90","","106.207","0.001","90","","2172.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N2 P3 -","- C51 H57 N2 P3 -","- C102 H114 N4 P6 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","","","0.0354","0.0343","","","0.0878","0.0889","","","","","","1.047","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568650","12.2238","0.0002","33.5168","0.0004","12.3138","0.0001","90","","105.065","0.001","90","","4871.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H65 N2 P4 Rh -","- C54 H65 N2 P4 Rh -","- C216 H260 N8 P16 Rh4 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0358","0.032","","","0.0762","0.0778","","","","","","1.063","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568688","9.521","0.003","12.367","0.003","11.509","0.003","90","","112.719","0.006","90","","1250","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O2 Si -","- C30 H29 N O2 Si -","- C60 H58 N2 O4 Si2 -","2","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.082","0.0598","","","0.1253","0.1305","","","","","","0.908","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568690","9.145","0.002","19.109","0.005","15.052","0.004","90","","98.006","0.006","90","","2604.7","1.1","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H28 F3 N O4 S Si -","- C26 H28 F3 N O4 S Si -","- C104 H112 F12 N4 O16 S4 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0645","0.0493","","","0.1167","0.1225","","","","","","0.989","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568716","11.6462","0.0005","8.726","0.0004","16.7421","0.0008","90","","108.62","0.002","90","","1612.35","0.13","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 P2 Si -","- C40 H34 P2 Si -","- C80 H68 P4 Si2 -","2","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0355","0.0316","","","0.0751","0.0778","","","","","","1.035","","","","has coordinates","284209","2023-06-05","03:54:36",""
"1568731","11.9232","0.0008","19.4217","0.0013","25.512","0.002","90","","91.836","0.008","90","","5904.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H93 B2 Li O4 -","- C62 H93 B2 Li O4 -","- C248 H372 B8 Li4 O16 -","4","2","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1579","0.0616","","","0.1093","0.1214","","","","","","0.749","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568755","10.105","0.002","8.9547","0.0018","10.215","0.002","90","","110.038","0.01","90","","868.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C40 H42 N2 O8 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0446","0.0415","","","0.1027","0.1048","","","","","","1.074","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568757","6.7649","0.0005","10.9273","0.0009","14.4629","0.0014","90","","103.394","0.005","90","","1040.05","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4 Si -","- C24 H30 O4 Si -","- C48 H60 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0893","0.088","","","0.2288","0.2312","","","","","","1.071","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568761","7.267","0.003","9.667","0.003","15.436","0.004","90","","99.237","0.016","90","","1070.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4.16 Si -","- C24 H30 O4.166 Si -","- C48 H60 O8.332 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0494","0.0392","","","0.0861","0.0897","","","","","","1.024","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568762","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568786","10.85569","0.00008","25.04851","0.00019","12.39611","0.00009","90","","99.6153","0.0007","90","","3323.38","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H86 N8 O13 -","- C68 H86 N8 O13 -","- C136 H172 N16 O26 -","2","1","","Ibukun, Olamilekan Joseph; Gumtya, Milan; Singh, Surajit; Shit, Ananda; Haldar, Debasish","Effect of the spacer on the structure and self-assembly of FF peptide mimetics.","Soft matter","2023","19","17","3215","3221","10.1039/d3sm00339f","","","1.54184","CuKα","","0.0272","0.0269","","","0.0677","0.0679","","","","","","1.033","","","","has coordinates","283512","2023-05-05","03:37:44",""
"1568790","11.6071","0.0016","16.655","0.002","11.7541","0.0019","90","","113.396","0.003","90","","2085.4","0.5","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl F6 N2 O4 P Ru -","- C42 H48 Cl F6 N2 O4 P Ru -","- C84 H96 Cl2 F12 N4 O8 P2 Ru2 -","2","1","","Kacsir, István; Sipos, Adrienn; Major, Evelin; Bajusz, Nikolett; Bényei, Attila; Buglyó, Péter; Somsák, László; Kardos, Gábor; Bai, Péter; Bokor, Éva","Half-Sandwich Type Platinum-Group Metal Complexes of C-Glucosaminyl Azines: Synthesis and Antineoplastic and Antimicrobial Activities","Molecules","2023","28","7","3058","","10.3390/molecules28073058","","x-ray","0.71073","MoKα","","0.1504","0.0826","","","0.1483","0.1847","","","","","","1.065","","","","has coordinates","282369","2023-04-05","02:13:14",""
"1568865","5.6498","0.0002","9.6522","0.0003","22.2488","0.0006","90","","92.285","0.002","90","","1212.33","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H11 F21 O -","- C21 H11 F21 O -","- C42 H22 F42 O2 -","2","1","","Balletti, Matteo; Wachsmuth, Tommy; Di Sabato, Antonio; Hartley, Will C.; Melchiorre, Paolo","Enantioselective catalytic remote perfluoroalkylation of α-branched enals driven by light.","Chemical science","2023","14","18","4923","4927","10.1039/d3sc01347b","","","1.54178","CuKα","","0.0476","0.0444","","","0.1162","0.1184","","","","","","1.07","","","","has coordinates","284237","2023-06-05","04:08:08",""
"1568880","11.0488","0.0006","6.4191","0.0003","14.6827","0.0007","90","","99.43","0.002","90","","1027.27","0.09","276","2","276","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 N S -","- C28 H21 N S -","- C56 H42 N2 S2 -","2","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)3-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.0561","0.0411","","","0.0881","0.0961","","","","","","1.04","","","","has coordinates","284212","2023-06-05","03:55:34",""
"1568889","9.374","0.002","8.2061","0.0018","10.172","0.002","90","","90.621","0.01","90","","782.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N4 O4 Zn -","- C12 H18 N4 O4 Zn -","- C24 H36 N8 O8 Zn2 -","2","1","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions","Catalysis Science & Technology","2023","13","11","3344","3350","10.1039/D3CY00401E","","","1.54178","CuKα","","0.0362","0.0346","","","0.0951","0.1005","","","","","","1.238","","","","has coordinates","284828","2023-07-05","08:26:03",""
"1568893","8.6488","0.0007","5.6835","0.0004","17.6333","0.0014","90","","91.157","0.006","90","","866.6","0.12","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-imine","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0757","0.0553","","","0.1311","0.1454","","","","","","1.06","","","","has coordinates","283143","2023-05-05","00:44:38",""
"1568895","12.3374","0.0003","6.0658","0.0002","12.5814","0.0004","90","","100.849","0.007","90","","924.72","0.05","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-aminonitrile","","","- C25 H20 N2 -","- C25 H20 N2 -","- C50 H40 N4 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0486","0.0364","","","0.0751","0.0786","","","","","","1.01","","","","has coordinates","283143","2023-05-05","00:44:52",""
"1568912","10.55","0.0009","10.051","0.0008","12.1412","0.001","90","","109.66","0.004","90","","1212.38","0.18","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 Fe N4 O2 -","- C29 H24 Fe N4 O2 -","- C58 H48 Fe2 N8 O4 -","2","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral N-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.0399","0.0299","","","0.0688","0.0706","","","","","","1.011","","","","has coordinates","284213","2023-06-05","03:55:58",""
"1568935","6.3829","0.0007","12.6897","0.0008","15.9539","0.0017","90","","101.308","0.008","90","","1267.1","0.2","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(23R,23^1^S,25S)-23^1^,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","","- C29 H46 O3 -","- C29 H46 O3 -","- C58 H92 O6 -","2","1","BT4138","Guerrero-Luna, Gabriel; Hernández-Linares, María-Guadalupe; Cárdenas García, Maura; Bernès, Sylvain","(23R,231 S,25S)-231,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","IUCrData","2023","8","4","","","10.1107/S2414314623003449","","x-ray","0.56083","AgKα","","0.1039","0.0425","","","0.0656","0.0769","","","","","","0.702","","","","has coordinates","282801","2023-04-22","01:43:50",""
"1568988","5.5494","0.0008","12.9584","0.0018","13.437","0.002","90","","95.222","0.013","90","","962.3","0.2","153","0.1","153","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.093","0.0816","","","0.2222","0.2346","","","","","","1.087","","","","has coordinates,has disorder","284248","2023-06-05","04:14:29",""
"1568992","8.5323","0.0005","9.6457","0.0006","13.8826","0.0008","90","","84.748","0.003","90","","1137.74","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Te -","- C8 H22 Br8 N2 Te -","- C16 H44 Br16 N4 Te2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","0.71073","MoKα","","0.0633","0.0604","","","0.1728","0.1754","","","","","","1.065","","","","has coordinates","284890","2023-07-05","09:39:27",""
"1568995","8.7521","0.0007","9.7104","0.0006","14.0201","0.0011","90","","94.43","0.008","90","","1187.96","0.15","350","2","350","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C16 H44 Br16 N4 Sn2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0885","0.0796","","","0.2463","0.2553","","","","","","1.066","","","","has coordinates,has disorder","284890","2023-07-05","09:39:53",""
"1569000","15.3362","0.0003","6.9513","0.00012","16.3195","0.0003","90","","101.082","0.0018","90","","1707.32","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0421","0.0401","","","0.1058","0.1075","","","","","","1.06","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569018","16.0358","0.0004","6.2586","0.0002","36.1603","0.0012","90","","92.17","0.002","90","","3626.51","0.19","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H110 N6 O4 -","- C84 H110 N6 O4 -","- C168 H220 N12 O8 -","2","1","","Zhang, Shuqing; Hao, Aiyou; Xing, Pengyao","Solvent-resolved self-assemblies of cholesteryl-cyanostilbene conjugates with photo- and thermo-responsiveness.","Nanoscale","2023","15","21","9567","9576","10.1039/d3nr01056b","","x-ray","1.54184","CuKα","","0.1603","0.1032","","","0.2496","0.3157","","","","","","0.985","","","","has coordinates","284288","2023-06-05","04:39:54",""
"1569022","7.0321","0.0003","11.3862","0.0005","7.2912","0.0003","90","","118.747","0.002","90","","511.85","0.04","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Br3 N O3 -","- C5 H8 Br3 N O3 -","- C10 H16 Br6 N2 O6 -","2","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0881","0.0355","","","0.0577","0.0672","","","","","","1.013","","","","has coordinates","284900","2023-07-05","09:45:39",""
"1569055","6.9978","0.0001","14.4109","0.0003","12.2598","0.0002","90","","91.455","0.002","90","","1235.94","0.04","99.9","0.7","99.9","0.7","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N O5 S2 -","- C26 H20 F3 N O5 S2 -","- C52 H40 F6 N2 O10 S4 -","2","1","","Zhang, Zhi-Xin; Liu, Li-Gao; Liu, Yi-Xi; Lin, Jian; Lu, Xin; Ye, Long-Wu; Zhou, Bo","Organocatalytic intramolecular (4 + 2) annulation of enals with ynamides: atroposelective synthesis of axially chiral 7-aryl indolines.","Chemical science","2023","14","22","5918","5924","10.1039/d3sc01880f","","x-ray","1.54184","CuKα","","0.0493","0.0478","","","0.1294","0.1351","","","","","","1.097","","","","has coordinates","284893","2023-07-05","09:42:10",""
"1569198","5.47055","0.00006","23.5365","0.0003","14.44919","0.00014","90","","94.2334","0.001","90","","1855.37","0.04","150","2","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 F6 N O4 S -","- C17 H15 F6 N O4 S -","- C68 H60 F24 N4 O16 S4 -","4","2","","Clark, Ella F.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Buchard, Antoine","Polymers from sugars and isothiocyanates: ring-opening copolymerization of a d-xylose anhydrosugar oxetane","Polymer Chemistry","2023","14","23","2838","2847","10.1039/D3PY00443K","","x-ray","1.54184","CuKα","","0.0343","0.0318","","","0.0795","0.0809","","","","","","1.011","","","","has coordinates","284980","2023-07-05","11:04:29",""
"1569201","10.2482","0.0003","23.7215","0.0005","11.0876","0.0003","90","","115.082","0.003","90","","2441.25","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dyn[4]arene","","","- C32 H38 O30 S8 -","- C32 H38 O30 S8 -","- C64 H76 O60 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.0591","0.0578","","","0.166","0.1695","","","","","","1.143","","","","has coordinates,has disorder","286055","2023-09-05","19:15:39",""
"1569235","10.5924","0.0002","20.9429","0.0003","15.9207","0.0003","90","","104.292","0.002","90","","3422.47","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H100 Fe2 K2 N6 O Te -","- C69 H100 Fe2 K2 N6 O Te -","- C138 H200 Fe4 K4 N12 O2 Te2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","","0.71073","MoKα","","0.0275","0.0253","","","0.0567","0.0574","","","","","","1.048","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569283","9.0126","0.0003","30.5182","0.0012","12.6586","0.0005","90","","103.306","0.001","90","","3388.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","1","","- C87 H68 N5 O12 -","- C88 H76 N4 O12 -","- C176 H152 N8 O24 -","2","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1787","0.0868","","","0.1931","0.2405","","","","","","1.033","","","","has coordinates","284359","2023-06-06","02:20:41",""
"1569288","5.8966","0.0005","14.2652","0.0011","7.4117","0.0006","90","","98.338","0.002","90","","616.85","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","2","","Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai","Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening","Catalysis Science & Technology","2023","13","13","3953","3962","10.1039/D3CY00366C","","","1.54178","CuKα","","0.0338","0.0337","","","0.0841","0.0842","","","","","","1.116","","","","has coordinates","284826","2023-07-05","08:24:39",""
"1569348","6.9158","0.0003","7.5748","0.0003","17.5449","0.0006","90","","94.912","0.003","90","","915.73","0.06","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1257","0.1277","","","","","","1.079","","","","has coordinates","284575","2023-06-29","09:26:56",""
"1569377","7.055","0.0004","7.1706","0.0003","9.4182","0.0006","90","","109.295","0.007","90","","449.69","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Barium bis(tetrafluoridoborate) trihydrate","","- B2 Ba F8 H6 O3 -","- B2 Ba F8 H6 O3 -","- B4 Ba2 F16 H12 O6 -","2","1","WM4190","Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper","Low-temperature modification of Ba(BF4)2(H2O)3","IUCrData","2023","8","6","","","10.1107/S2414314623004881","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.0876","0.0892","","","","","","1.07","","","","has coordinates,has disorder","284704","2023-06-29","16:06:30",""
"1569430","14.7897","0.0015","13.9358","0.0014","27.027","0.003","90","","103.411","0.004","90","","5418.5","1","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H54 Cl4 N2 O4 P Rh -","- C57 H54 Cl4 N2 O4 P Rh -","- C228 H216 Cl16 N8 O16 P4 Rh4 -","4","2","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0527","0.0518","","","0.1319","0.1327","","","","","","1.061","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569476","13.614","0.003","4.898","0.001","17.322","0.004","90","","90.12","0.03","90","","1155.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C60 H36 N12 O8 -","4","2","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","0.7527","synchrotron","","0.0992","0.0659","","","0.1551","0.1708","","","","","","1.029","","","","has coordinates,has disorder","285040","2023-07-06","10:44:29",""
"1569497","11.22933","0.00019","23.1073","0.0006","13.31714","0.00019","90","","90.7038","0.0014","90","","3455.26","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H55.5 F8 N10.5 O11 S2 -","- C70 H55.5 F8 N10.5 O11 S2 -","- C140 H111 F16 N21 O22 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1012","0.0962","","","0.2736","0.2803","","","","","","1.082","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569501","10.6362","0.0005","18.0095","0.0011","26.978","0.002","90","","94.741","0.006","90","","5150","0.6","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H36 Cl F4 N8 O6 S6 -","- C49 H36 Cl F4 N8 O6 S6 -","- C196 H144 Cl4 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1602","0.1335","","","0.278","0.2956","","","","","","1.019","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569503","10.6988","0.0004","17.9646","0.0007","27.0532","0.0016","90","","94.936","0.005","90","","5180.3","0.4","172.99","0.1","172.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C198 H148 Cl6 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","","1.54184","CuKα","","0.1504","0.1297","","","0.295","0.3081","","","","","","1.046","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569504","10.48012","0.00013","19.7332","0.0002","14.464","0.0002","90","","108.582","0.0015","90","","2835.31","0.06","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F8 N8 O10 S2 -","- C64 H44 F8 N8 O10 S2 -","- C128 H88 F16 N16 O20 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0453","0.0413","","","0.1091","0.1121","","","","","","1.03","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569540","10.5662","0.0007","6.4254","0.0004","14.2474","0.0009","90","","91.616","0.003","90","","966.9","0.11","249.97","","249.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","","1.54178","CuKα","","0.0431","0.0283","","","0.0742","0.0768","","","","","","1.075","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569541","6.4486","0.0003","18.6265","0.0008","7.3386","0.0003","90","","100.102","0.004","90","","867.81","0.07","175","6","175","6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0809","0.0818","","","","","","1.082","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569544","12.6318","0.0001","7.1496","0.0001","15.6842","0.0001","90","","101.237","0.001","90","","1389.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O8 S -","- C30 H31 N O8 S -","- C60 H62 N2 O16 S2 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0242","0.024","","","0.0628","0.0631","","","","","","1.025","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569565","8.4061","0.0003","20.5959","0.0007","12.3043","0.0004","90","","108.644","0.001","90","","2018.47","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H12 F3 I2 N -","- C23 H12 F3 I2 N -","- C92 H48 F12 I8 N4 -","4","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0312","0.0254","","","0.0559","0.0579","","","","","","1.086","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569580","12.3101","0.0002","5.4517","0.0001","14.3867","0.0002","90","","106.621","0.002","90","","925.16","0.03","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 F N2 O2 -","- C23 H19 F N2 O2 -","- C46 H38 F2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0738","0.0731","","","0.182","0.1834","","","","","","1.034","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569581","12.5962","0.0006","5.2216","0.0002","15.4025","0.0006","90","","109.764","0.005","90","","953.38","0.08","120","0.2","120","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O2 -","- C23 H19 Br N2 O2 -","- C46 H38 Br2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0759","0.0651","","","0.1664","0.176","","","","","","1.013","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569582","12.0926","0.0002","5.4361","0.0002","13.6728","0.0003","90","","95.641","0.002","90","","894.45","0.04","120","0.2","120","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0574","0.055","","","0.1485","0.1526","","","","","","1.063","","","","has coordinates","285356","2023-07-26","22:18:43",""
"1569654","8.2271","0.0005","10.3968","0.0007","21.4304","0.0011","90","","96.909","0.006","90","","1819.75","0.19","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 B Cl F2 N -","- C19 H21 B Cl F2 N -","- C76 H84 B4 Cl4 F8 N4 -","4","2","","Zou, Hui-Na; Huang, Meng-Lin; Huang, Ming-Yao; Su, Yu-Xuan; Zhang, Jing-Wei; Zhang, Xin-Yu; Zhu, Shou-Fei","Chiral gem-difluoroalkyl reagents: gem-difluoroalkyl propargylic borons and gem-difluoroalkyl α-allenols.","Chemical science","2023","14","34","9186","9190","10.1039/d3sc03266c","","x-ray","0.71073","MoKα","","0.1428","0.0677","","","0.1228","0.1648","","","","","","1.024","","","","has coordinates","286070","2023-09-05","19:21:48",""
"1569660","8.3288","0.0002","22.8188","0.0008","10.9506","0.0003","90","","90.53","0.002","90","","2081.11","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 S -","- C20 H27 Br N2 O2 S -","- C80 H108 Br4 N8 O8 S4 -","4","2","","Zhang, Dongjie; Fan, Junjie; Shi, Yaqi; Huang, Yankai; Fu, Chunling; Wu, Xiaoyan; Ma, Shengming","Copper-catalyzed propargylic C-H functionalization for allene syntheses.","Chemical science","2023","14","34","9191","9196","10.1039/d3sc01501g","","","0.71073","MoKα","","0.0912","0.0488","","","0.0948","0.112","","","","","","1.011","","","","has coordinates","286073","2023-09-05","19:22:21",""
"1569712","5.2057","0.0001","20.7249","0.0005","12.8023","0.0003","90","","99.7432","0.0015","90","","1361.29","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Kitcatt, David M.; Scott, Katie A.; Rongione, Elena; Nicolle, Simon; Lee, Ai-Lan","Direct decarboxylative Giese amidations: photocatalytic vs. metal- and light-free.","Chemical science","2023","14","36","9806","9813","10.1039/d3sc03143h","","","1.54178","CuKα","","0.205","0.1991","","","0.5464","0.5539","","","","","","1.026","","","","has coordinates","286712","2023-10-05","23:51:42",""
"1569730","11.5658","0.0005","14.0383","0.0007","12.2223","0.0006","90","","116.441","0.001","90","","1776.88","0.15","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H34 B F4 O2 P -","- C46 H34 B F4 O2 P -","- C92 H68 B2 F8 O4 P2 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0851","0.0503","","","0.1125","0.1389","","","","","","1.051","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569734","10.683","0.002","11.347","0.002","13.203","0.003","90","","107.491","0.003","90","","1526.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diethyl 2,2'-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","","- C28 H34 Cl N3 O9 S -","- C28 H34 Cl N3 O9 S -","- C56 H68 Cl2 N6 O18 S2 -","2","1","TK4094","Ramli, Youssef; Al Garadi, Wedad; El Hafi, Mohamed; Lhoussaine, Elghayati; Essassi, El Mokhtar; Alsubari, Abdulsalam; Mague, Joel T.","Diethyl 2,2′-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","IUCrData","2023","8","8","","","10.1107/S2414314623006995","","","0.71073","MoKα","","0.0744","0.056","","","0.1439","0.1539","","","","","","1.061","","","","has coordinates,has disorder","285873","2023-08-25","02:01:20",""
"1569736","10.2096","0.0011","9.5739","0.001","12.8306","0.0011","90","","106.747","0.007","90","","1200.9","0.2","115","","115","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 Cu N5 O8 -","- C20 H21 Cl2 Cu N5 O8 -","- C40 H42 Cl4 Cu2 N10 O16 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0422","0.0369","","","0.0897","0.0919","","","","","","1.042","","","","has coordinates","287288","2023-11-06","06:16:50",""
"1569787","5.967","0.004","4.092","0.003","20.358","0.014","90","","93.08","0.018","90","","496.4","0.6","263","2","263","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(Allyloxy)benzohydrazide","4-(Prop-2-en-1-yloxy)benzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Zangrando, Ennio","4-(All-yloxy)benzohydrazide.","IUCrData","2023","8","Pt 1","x221195","","10.1107/S2414314622011956","","","0.71075","MoKα","","0.0924","0.0807","","","0.2188","0.2276","","","","","","1.046","","","","has coordinates","286018","2023-09-05","02:06:29",""
"1569788","8.23147","0.00011","7.16385","0.00009","9.24494","0.00014","90","","97.8459","0.0013","90","","540.062","0.013","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-[(S)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralone","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C24 H22 F6 O4 -","2","1","WM4178","Motaln, Klemen; Cotman, Andrej Emanuel; Lozinšek, Matic","(S)-2-[(S)-2,2,2-Tri-fluoro-1-hy-droxy-eth-yl]-1-tetra-lone.","IUCrData","2023","8","Pt 1","x221209","","10.1107/S2414314622012093","","x-ray","1.54184","CuKα","","0.0218","0.0215","","","0.0557","0.0559","","","","","","1.061","","","","has coordinates","286019","2023-09-05","02:06:55",""
"1569820","11.8935","0.0003","13.8385","0.0004","17.6968","0.0005","90","","91.266","0.001","90","","2911.97","0.14","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N3 Pt -","- C37 H31 N3 Pt -","- C148 H124 N12 Pt4 -","4","2","","Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng","Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes","Molecules","2023","28","17","6369","","10.3390/molecules28176369","","","0.71073","MoKα","","0.0414","0.0346","","","0.0932","0.097","","","","","","1.045","","","","has coordinates","286237","2023-09-06","13:59:25",""
"1569832","8.8558","0.0007","17.2619","0.0011","10.454","0.0008","90","","91.877","0.003","90","","1597.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H28 Br N O4 S -","- C38 H28 Br N O4 S -","- C76 H56 Br2 N2 O8 S2 -","2","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0444","0.0321","","","0.0658","0.071","","","","","","1.041","","","","has coordinates","287312","2023-11-06","06:57:38",""
"1569878","11.2867","0.0014","7.6954","0.0009","11.8213","0.0014","90","","98.725","0.007","90","","1014.9","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.1934","0.0904","","","0.2204","0.273","","","","","","0.991","","","","has coordinates","287311","2023-11-06","06:56:53",""
"1569903","11.1245","0.0004","10.5529","0.0003","13.5415","0.0005","90","","107.914","0.002","90","","1512.64","0.09","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N2 O3 -","- C39 H28 N2 O3 -","- C78 H56 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","1.54178","CuKα","","0.0355","0.0318","","","0.0838","0.0866","","","","","","1.04","","","","has coordinates","287308","2023-11-06","06:51:33",""
"1569905","13.2537","0.0004","8.0062","0.0002","15.7406","0.0005","90","","94.626","0.001","90","","1664.82","0.08","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H25 Cl3 N2 O4 -","- C37 H25 Cl3 N2 O4 -","- C74 H50 Cl6 N4 O8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.1003","0.0667","","","0.1763","0.2034","","","","","","1.036","","","","has coordinates","287308","2023-11-06","06:51:46",""
"1569906","10.1003","0.0004","15.1715","0.0005","13.9176","0.0005","90","","101.792","0.002","90","","2087.68","0.13","184","2","184","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 N4 O8 S4 -","- C40 H38.424 N4 O8 S4 -","- C80 H76.848 N8 O16 S8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0789","0.0537","","","0.1156","0.1273","","","","","","1.03","","","","has coordinates,has disorder","287308","2023-11-06","06:51:48",""
"1569932","3.73339","0.00004","6.97307","0.00005","12.87327","0.00009","90","","97.1579","0.0008","90","","332.52","0.005","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitrobenzonitrile","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C14 H8 N4 O4 -","2","1","HB4451","Virant, Miha; Siljanovska, Ana; Cerkovnik, Janez; Lozinšek, Matic","3-Nitrobenzonitrile","IUCrData","2023","8","9","","","10.1107/S2414314623008143","","x-ray","1.54184","CuKα","","0.0242","0.0241","","","0.0689","0.069","","","","","","1.089","","","","has coordinates","286486","2023-09-23","02:01:23",""
"1569969","8.9718","0.0004","17.5666","0.0008","29.7758","0.0013","90","","90.006","0.002","90","","4692.8","0.4","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0406","0.0401","","","0.1234","0.1243","","","","","","1.167","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569971","22.5584","0.0004","10.1939","0.0002","24.3804","0.0004","90","","116.477","0.001","90","","5018.43","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0484","0.043","","","0.1158","0.1179","","","","","","1.046","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569975","8.9267","0.0011","17.608","0.002","29.783","0.004","90","","90.035","0.004","90","","4681.3","1","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.066","0.0649","","","0.1857","0.1873","","","","","","1.036","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569976","22.5745","0.0004","10.2015","0.0002","24.3748","0.0004","90","","116.635","0.001","90","","5017.68","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0421","0.0402","","","0.1118","0.1137","","","","","","1.053","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569984","11.278","0.002","4.5289","0.001","22.111","0.005","90","","91.188","0.005","90","","1129.1","0.4","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N6 O4.5 -","- C22 H29 N6 O4.5 -","- C44 H58 N12 O9 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.2428","0.0792","","","0.1343","0.1785","","","","","","0.932","","","","has coordinates","287295","2023-11-06","06:42:00",""
"1569987","11.3","0.003","4.5408","0.0011","21.909","0.005","90","","90.897","0.007","90","","1124","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N6 O6 -","- C21 H30 N6 O6 -","- C42 H60 N12 O12 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.1761","0.1179","","","0.308","0.3656","","","","","","1.034","","","","has coordinates","287295","2023-11-06","06:42:48",""
"1570041","12.9522","0.0003","8.0449","0.0002","16.5583","0.0004","90","","98.837","0.002","90","","1704.88","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0533","0.0513","","","0.1356","0.1372","","","","","","1.049","","","","has coordinates,has disorder","287300","2023-11-06","06:47:26",""
"1570154","7.3414","0.0003","13.5389","0.0005","14.84","0.0006","90","","101.962","0.004","90","","1442.98","0.1","150","0.2","150","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 Au Cl N10 O11 S2 -","- C20 H30 Au Cl N10 O11 S2 -","- C40 H60 Au2 Cl2 N20 O22 S4 -","2","1","","McGarry, Liam F.; El-Zubir, Osama; Waddell, Paul G.; Cucinotta, Fabio; Houlton, Andrew; Horrocks, Benjamin R.","Vesicles, fibres, films and crystals: A low-molecular-weight-gelator [Au(6-thioguanosine)2]Cl which exhibits a co-operative anion-induced transition from vesicles to a fibrous metallo-hydrogel.","Soft matter","2023","19","43","8386","8402","10.1039/d3sm01006f","","x-ray","1.54184","CuKα","","0.0486","0.0395","","","0.0878","0.0938","","","","","","1.032","","","","has coordinates","288912","2024-01-06","10:00:56",""
"1570156","10.0602","0.0013","6.7704","0.0009","14.524","0.002","90","","110.168","0.002","90","","928.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-N-(4-fluorophenyl)acetamide","","- C20 H17 Cl F N3 O2 -","- C20 H17 Cl F N3 O2 -","- C40 H34 Cl2 F2 N6 O4 -","2","1","HB4454","Assila, Hamza; Ameziane El Hassani, Issam; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, MHammed","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-N-(4-fluorophenyl)acetamide","IUCrData","2023","8","10","","","10.1107/S241431462300901X","","","0.71073","MoKα","","0.061","0.0483","","","0.121","0.1308","","","","","","1.03","","","","has coordinates,has disorder","287053","2023-10-20","02:19:43",""
"1570171","6.748","0.0007","13.0022","0.0013","10.0405","0.0011","90","","96.872","0.003","90","","874.61","0.16","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-nor-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","","0.71073","MoKα","","0.0366","0.0314","","","0.0782","0.0816","","","","","","1.017","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570174","5.7657","0.0002","8.4827","0.0004","12.1582","0.0005","90","","99.606","0.004","90","","586.3","0.04","571","2","571","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 F O2 -","- C13 H15 F O2 -","- C26 H30 F2 O4 -","2","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0419","0.0387","","","0.1043","0.1069","","","","","","1.128","","","","has coordinates","288720","2024-01-06","07:14:27",""
"1570176","9.1305","0.0002","10.8099","0.0001","23.076","0.0003","90","","97.439","0.001","90","","2258.43","0.06","297.96","0.14","297.96","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F2 O4 S2 -","- C24 H20 F2 O4 S2 -","- C96 H80 F8 O16 S8 -","4","2","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","x-ray","1.54184","CuKα","","0.0397","0.0359","","","0.0942","0.0968","","","","","","1.034","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570220","4.6856","0.0001","16.2628","0.0005","11.3085","0.0004","90","","90.473","0.002","90","","861.69","0.04","157","2","157","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H18 -","- C27 H18 -","- C54 H36 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.0439","0.0405","","","0.105","0.1076","","","","","","1.054","","","","has coordinates,has disorder","288771","2024-01-06","07:40:10",""
"1570225","13.4467","0.0007","15.8867","0.0009","18.3239","0.001","90","","102.386","0.001","90","","3823.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H111 K3 O21 -","- C71 H103 K3 O20 -","- C142 H206 K6 O40 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41328","synchrotron","","0.0953","0.0838","","","0.2536","0.2668","","","","","","1.043","","","","has coordinates,has disorder","288771","2024-01-06","07:40:33",""
"1570258","6.4115","0.0005","6.9501","0.0005","15.4228","0.0012","90","","100.54","0.004","90","","675.65","0.09","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0332","0.032","","","0.0794","0.0807","","","","","","1.059","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570265","13.8351","0.0007","31.0417","0.0009","14.2077","0.0006","90","","118.24","0.006","90","","5375.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 K O25 Si6 U2 -","- C72 H162 K O25 Si6 U2 -","- C144 H324 K2 O50 Si12 U4 -","2","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.0693","0.0498","","","0.1094","0.1132","","","","","","0.969","","","","has coordinates,has disorder","288738","2024-01-06","07:21:35",""
"1570270","9.4947","0.0002","15.7979","0.0003","14.4936","0.0003","90","","93.65","0.002","90","","2169.58","0.08","300","0.1","300","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0905","0.0955","","","","","","1.027","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570271","9.3868","0.0002","15.5499","0.0003","14.4461","0.0002","90","","93.944","0.002","90","","2103.61","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0325","0.0285","","","0.0609","0.0629","","","","","","1.029","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570273","13.4566","0.0006","11.3171","0.0004","13.7498","0.0006","90","","115.555","0.001","90","","1889.1","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl6 N16 O4 Ru2 -","- C24 H24 Cl6 N16 O4 Ru2 -","- C48 H48 Cl12 N32 O8 Ru4 -","2","1","","Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José","Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.","Molecules (Basel, Switzerland)","2023","28","20","7213","","10.3390/molecules28207213","","","0.71073","MoKα","","0.042","0.0413","","","0.1269","0.1281","","","","","","1.06","","","","has coordinates","287457","2023-11-07","02:58:50",""
"1570279","9.9889","0.0006","8.2547","0.0005","32.9847","0.0014","90","","94.761","0.005","90","","2710.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Nandrolone_undecanoate","19_nortestosterone_17β_undecanoate","","- C29 H46 O3 -","- C29 H46 O3 -","- C116 H184 O12 -","4","2","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","0.71073","MoKα","","0.2801","0.0865","","","0.1462","0.2189","","","","","","0.978","","","","has coordinates","287463","2023-11-07","03:02:16",""
"1570328","6.7822","0.0001","15.6869","0.0003","6.8577","0.0001","90","","108.443","0.001","90","","692.13","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O6 S -","- C13 H10 F N O6 S -","- C26 H20 F2 N2 O12 S2 -","2","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","para-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0267","0.0264","","","0.067","0.0672","","","","","","1.067","","","","has coordinates","288744","2024-01-06","07:23:02",""
"1570370","10.8925","0.0004","19.7704","0.0007","15.6033","0.0005","90","","109.867","0.001","90","","3160.17","0.19","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 B O2 Sn -","- C32 H53 B O2 Sn -","- C128 H212 B4 O8 Sn4 -","4","2","","Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R.","A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters.","Chemical science","2023","14","48","14124","14130","10.1039/d3sc04519f","","","1.54178","CuKα","","0.0557","0.0553","","","0.1404","0.1407","","","","","","1.052","","","","has coordinates","288760","2024-01-06","07:30:29",""
"1570416","17.8394","0.0003","8.2183","0.0002","22.8962","0.0005","90","","102.884","0.002","90","","3272.29","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79 H64 F14 N6 O4 -","- C79 H64 F14 N6 O4 -","- C158 H128 F28 N12 O8 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1279","0.1107","","","0.2864","0.299","","","","","","1.064","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570418","8.6927","0.0009","29.467","0.003","11.3135","0.0012","90","","112.393","0.003","90","","2679.4","0.5","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H80 O13 -","- C61 H80 O13 -","- C122 H160 O26 -","2","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.043","0.0428","","","0.1162","0.1165","","","","","","1.015","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570476","15.119","0.003","15.12","0.003","24.857","0.005","90","","103.91","0.03","90","","5516","2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl N2 Pd -","- C26 H35 Cl N2 Pd -","- C208 H280 Cl8 N16 Pd8 -","8","4","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.136","0.1223","","","0.3","0.3147","","","","","","1.3","","","","has coordinates","289645","2024-02-04","12:32:34",""
"1570481","13.02736","0.00013","7.6261","0.00007","13.31312","0.00013","90","","97.9813","0.0009","90","","1309.82","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O4 -","- C32 H33 N O4 -","- C64 H66 N2 O8 -","2","1","","Han, Zhengyu; Zhu, Biao; Zang, Yu; Zhang, Chaoshen; Dong, Xiu-Qin; Huang, Hai; Sun, Jianwei","Primary activation of para-quinone methides by chiral phosphoric acid for enantioselective construction of tetraarylmethanes.","Chemical science","2024","15","2","720","725","10.1039/d3sc05014a","","x-ray","1.54184","CuKα","","0.0256","0.0247","","","0.0647","0.0652","","","","","","1.032","","","","has coordinates","289416","2024-02-04","11:31:26",""
"1570505","16.8798","0.0014","16.7488","0.0014","29.324","0.003","90","","98.644","0.002","90","","8196.2","1.3","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.67 H54.34 Cl2.67 F2 N4 O2 Pt -","- C39.6715 H54.343 Cl2.6715 F2 N4 O2 Pt -","- C317.372 H434.744 Cl21.372 F16 N32 O16 Pt8 -","8","4","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0653","0.0593","","","0.1523","0.1592","","","","","","1.065","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570591","10.3503","0.0002","8.7745","0.0002","14.9164","0.0003","90","","104.498","0.002","90","","1311.55","0.05","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Waly, Sara M. A.; Benniston, Andrew C.; Harriman, Anthony","Deducing the conformational space for an octa-proline helix.","Chemical science","2024","15","5","1657","1671","10.1039/d3sc05287g","","x-ray","1.54184","CuKα","","0.0345","0.0313","","","0.0775","0.0791","","","","","","1.067","","","","has coordinates","289401","2024-02-04","11:27:23",""
"1570631","5.4042","0.0001","22.6075","0.0004","23.7568","0.0004","90","","95.144","0.002","90","","2890.81","0.09","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0704","0.0601","","","0.1633","0.1738","","","","","","1.131","","","","has coordinates,has disorder","289313","2024-02-04","10:58:23",""
"1570724","9.5459","0.0002","19.1854","0.0005","11.5679","0.0003","90","","93.009","0.001","90","","2115.65","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S -","- C22 H23 Br N2 O2 S -","- C88 H92 Br4 N8 O8 S4 -","4","2","","Bulger, Ana S.; Nasrallah, Daniel J.; Tena Meza, Arismel; Garg, Neil K.","Enantioselective nickel-catalyzed Mizoroki-Heck cyclizations of amide electrophiles.","Chemical science","2024","15","7","2593","2600","10.1039/d3sc05797f","","","1.54178","CuKα","","0.0375","0.0329","","","0.07","0.0712","","","","","","1.04","","","","has coordinates","290130","2024-03-04","20:03:39",""
"1570739","8.2572","0.0004","21.5648","0.0008","13.2995","0.0006","90","","96.915","0.002","90","","2350.95","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tetrakis(phenylmethanaminium)tri(iodo)-germanium(II) tetraiodo-germanium(ii)","","- C28 H40 Ge3 I10 N4 -","- C28 H40 Ge3 I10 N4 -","- C56 H80 Ge6 I20 N8 -","2","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0274","0.0235","","","0.0531","0.0539","","","","","","1.048","","","","has coordinates","288974","2024-01-09","19:19:28",""
"1570746","12.462","0.01","15.316","0.011","14.954","0.009","90","","97.32","0.03","90","","2831","3","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C63 H79 N2 O2 P Si Sn -","- C63 H79 N2 O2 P Si Sn -","- C126 H158 N4 O4 P2 Si2 Sn2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0239","0.0204","","","0.0475","0.049","","","","","","1.035","","","","has coordinates","290131","2024-03-04","20:03:53",""
"1570791","9.5026","0.0005","16.911","0.0006","21.3649","0.001","90","","100.11","0.004","90","","3380","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H49 Mn N2 O2 P2 -","- C34 H49 Mn N2 O2 P2 -","- C136 H196 Mn4 N8 O8 P8 -","4","2","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","1.54184","CuKα","","0.0978","0.0888","","","0.2071","0.214","","","","","","1.058","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570804","3.9819","0.0003","14.7672","0.0009","11.4435","0.0008","90","","94.161","0.007","90","","671.12","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C34 H22 N6 O6 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0863","0.0653","","","0.1683","0.1811","","","","","","1.013","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570820","11.4785","0.0019","17.511","0.003","14.619","0.002","90","","105.928","0.004","90","","2825.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H91 B N9 O3 Y -","- C55 H91 B N9 O3 Y -","- C110 H182 B2 N18 O6 Y2 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1104","0.0971","","","0.2325","0.2385","","","","","","1.115","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570852","21.3577","0.0008","11.1948","0.0004","21.482","0.0009","90","","90.068","0.002","90","","5136.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H153 Al4 N10 Y2 -","- C102 H163 Al4 N10 Y2 -","- C204 H326 Al8 N20 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0832","0.0687","","","0.1773","0.191","","","","","","1.009","","","","has coordinates","290839","2024-04-04","22:46:11",""
"1570858","12.1089","0.0003","13.3568","0.0003","14.0513","0.0004","90","","98.955","0.003","90","","2244.9","0.1","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^N,N',N'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","","- C44 H36 F6 N10 Ni O7 S2 -","- C44 H36 F6 N10 Ni O7 S2 -","- C88 H72 F12 N20 Ni2 O14 S4 -","2","1","VM4063","Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","IUCrData","2024","9","1","","","10.1107/S2414314624000889","","x-ray","1.54184","CuKα","","0.0597","0.0575","","","0.1351","0.1364","","","","","","1.07","","","","has coordinates","289259","2024-02-01","03:25:22",""
"1570904","9.905","0.002","34.151","0.007","9.978","0.002","90","","90.58","0.03","90","","3375","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl4 N O4 P Pd -","- C33 H32 Cl4 N O4 P Pd -","- C132 H128 Cl16 N4 O16 P4 Pd4 -","4","2","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0357","0.0343","","","0.0854","0.0866","","","","","","1.008","","","","has coordinates","289663","2024-02-05","05:07:12",""
"1571066","19.1684","0.0003","27.7216","0.0003","28.1292","0.0004","90","","98.324","0.001","90","","14789.8","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","2","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au12Cd2 nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0958","0.0796","","","0.1967","0.2235","","","","","","1.008","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571072","10.8789","0.0002","8.8689","0.0001","11.6944","0.0002","90","","110.898","0.001","90","","1054.1","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","IronIII-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0324","0.0317","","","0.0835","0.0842","","","","","","1.039","","","","has coordinates","290845","2024-04-04","22:48:14",""
"1571102","10.847","0.004","6.213","0.002","11.06","0.003","90","","105.661","0.008","90","","717.7","0.4","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.5]nonan-1-one","","- C14 H23 B O4 -","- C14 H23 B O4 -","- C28 H46 B2 O8 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes via thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1045","0.0972","","","0.2727","0.2817","","","","","","1.177","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571116","5.2452","0.0011","7.708","0.0014","10.23","0.002","90","","94.291","0.008","90","","412.44","0.14","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C H10 Mg N2 O8 S -","- C H10 Mg N2 O8 S -","- C2 H20 Mg2 N4 O16 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","","0.71073","MoKα","","0.0379","0.0371","","","0.0994","0.1003","","","","","","0.914","","","","has coordinates","290298","2024-03-05","02:03:01",""
"1571189","6.148","0.0004","11.2791","0.0007","8.6416","0.0006","90","","98.935","0.006","90","","591.97","0.07","94","0.1","94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Di-tert-butyldiphosphatetrahedrane","","","- C10 H18 P2 -","- C10 H18 P2 -","- C20 H36 P4 -","2","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-tert-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","","0.71073","MoKα","","0.0369","0.027","","","0.0542","0.0555","","","","","","0.839","","","","has coordinates","291588","2024-05-05","02:02:16",""
"1571199","9.1045","0.0001","26.3845","0.0003","9.3517","0.0001","90","","93.698","0.001","90","","2241.77","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound_36","Compound_36","","- C54 H48 N4 P4 -","- C54 H48 N4 P4 -","- C108 H96 N8 P8 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0526","0.0512","","","0.1582","0.1597","","","","","","1.083","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571204","12.0258","0.0001","17.4694","0.0001","19.0196","0.0001","90","","102.948","0.001","90","","3894.11","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_31","Compound_31","","- C35.2 H31.2 N4.8 O2 P1.6 -","- C35.2 H31.2 N4.8 O2 P1.6 -","- C176 H156 N24 O10 P8 -","5","2.5","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0822","0.0826","","","","","","1.028","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571222","14.769","0.003","15.187","0.003","21.191","0.004","90","","106.73","0.03","90","","4551.9","1.7","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C211 H206 B4 Cl6 Co4 N16 O8 -","2","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71092","Synchrotron","","0.0917","0.0716","","","0.2093","0.2286","","","","","","1.063","","","","has coordinates,has disorder","291582","2024-05-05","01:57:36",""
"1571239","13.1125","0.0001","21.0944","0.0001","18.8571","0.0001","90","","107.233","0.001","90","","4981.73","0.06","100.01","0.1","100.01","0.1","","","100","","","","","4","P 1 21 1","P 2yb","4","H-YLGGG-OH Q8 complex hydrate","L-tyrosyl-L-leucylglycylglycylglycine cucurbit[8]uril complex octadecahydrate","","- C69 H116 N37 O42 -","- C69 H116 N37 O42 -","- C138 H232 N74 O84 -","2","1","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0973","0.0986","","","","","","1.031","","","","has coordinates","290832","2024-04-04","22:40:12",""
"1571296","3.85501","0.00008","13.319","0.0003","14.7962","0.0003","90","","94.88","0.002","90","","756.96","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C34 H30 N6 O8 -","2","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.0241","0.0237","","","0.0626","0.0629","","","","","","1.029","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571387","9.3656","0.0005","16.9853","0.0008","9.5139","0.0005","90","","91.2046","0.0018","90","","1513.11","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O3 -","- C30 H25 Cl4 Ir N4 O3 -","- C60 H50 Cl8 Ir2 N8 O6 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0463","","","","","","1.038","","","","has coordinates","291084","2024-04-05","05:52:51",""
"1571388","9.3682","0.0006","16.9395","0.001","9.4088","0.0005","90","","91.347","0.002","90","","1492.69","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O2 -","- C30 H25 Cl4 Ir N4 O2 -","- C60 H50 Cl8 Ir2 N8 O4 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0175","0.0164","","","0.0376","0.0396","","","","","","0.946","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571403","9.5671","0.0002","6.22015","0.00011","14.7354","0.0003","90","","104.31","0.002","90","","849.68","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C42 H32 Br2 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen Bonding in Imide Derivatives for Chiral Folding and Self-Assembly","Chemical Science","2024","","","","","10.1039/D4SC00554F","","x-ray","1.54184","CuKα","","0.0383","0.037","","","0.0985","0.0999","","","","","","1.047","","","","has coordinates","291100","2024-04-05","22:17:14",""
"1571404","8.6432","0.0006","5.5418","0.0003","22.9285","0.0012","90","","99","0.006","90","","1084.73","0.11","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br2 N2 O6 -","- C22 H20 Br2 N2 O6 -","- C44 H40 Br4 N4 O12 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen Bonding in Imide Derivatives for Chiral Folding and Self-Assembly","Chemical Science","2024","","","","","10.1039/D4SC00554F","","","0.71073","MoKα","","0.0694","0.039","","","0.0724","0.0827","","","","","","1.009","","","","has coordinates","291100","2024-04-05","22:17:15",""
"1571407","10.6039","0.0003","8.8338","0.0002","15.3191","0.0003","90","","92.902","0.002","90","","1433.14","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-5-([1,1'-biphenyl]-4-ylmethyl)-3-methylpyrrolidin-2-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","2","","Chen, Long; Qu, Ge; Cai, Zhiqiang; Yuan, Bo; Sun, Zhoutong","Synthesis of a Sacubitril Precursor by Construction of One-pot Chemoenzymatic Cascades","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00145A","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.1035","0.1061","","","","","","1.14","","","","has coordinates","291136","2024-04-08","21:41:02",""
"1571409","8.1621","0.0003","11.298","0.0004","16.5498","0.0006","90","","94.61","0.002","90","","1521.21","0.1","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H31 P S -","- C40 H31 P S -","- C80 H62 P2 S2 -","2","1","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-Catalyzed Regio- and Stereoselective Phosphination of Cyclic Biarylsulfonium Salts to Access Atropoisomeric Phosphines","Chemical Science","2024","","","","","10.1039/D4SC00446A","","","0.71073","MoKα","","0.0401","0.0371","","","0.0925","0.0951","","","","","","1.074","","","","has coordinates","291145","2024-04-09","22:10:23",""
"1571425","10.778","0.002","9.8031","0.0017","11.594","0.003","90","","117.183","0.007","90","","1089.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 B O3 P2 -","- C22 H27 B O3 P2 -","- C44 H54 B2 O6 P4 -","2","1","","Li, Longlong; Yu, Kui; An, Hejun; Cai, Xinping; Song, Qiuling","Enantioselective copper-catalyzed B-H bond insertion reaction of α-diazo phosphonates to access chiral α-boryl phosphonates","Chemical Science","2024","","","","","10.1039/D4SC01271B","","","0.71073","MoKα","","0.0572","0.0358","","","0.0809","0.102","","","","","","1.072","","","","has coordinates","291199","2024-04-15","22:21:33",""
"1571501","8.3455","0.0003","19.2331","0.0006","11.0134","0.0003","90","","102.491","0.003","90","","1725.92","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","","- C32 H26 Ag Cl N6 O6 S4 -","- C32 H26 Ag Cl N6 O6 S4 -","- C64 H52 Ag2 Cl2 N12 O12 S8 -","2","1","ZL4071","Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","IUCrData","2024","9","4","","","10.1107/S2414314624003444","","x-ray","0.71073","MoKα","","0.0739","0.0408","","","0.0821","0.0951","","","","","","1.014","","","","has coordinates,has disorder","291396","2024-04-27","02:10:23",""
"1571566","10.2162","0.0003","16.7001","0.0004","19.1032","0.0005","90","","105.024","0.001","90","","3147.82","0.15","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl3 N3 O3 -","- C36 H28 Cl3 N3 O3 -","- C144 H112 Cl12 N12 O12 -","4","2","","Wang, Baomin; Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping","Organocatalytic diastereo- and atroposelective construction of eight-membered bridged (hetero)biaryls via asymmetric intramolecular [3+2] cycloaddition","Chemical Science","2024","","","","","10.1039/D4SC01892C","","","0.71073","MoKα","","0.0399","0.0359","","","0.085","0.0876","","","","","","1.001","","","","has coordinates","291756","2024-05-07","22:15:32",""
"1571582","6.243","0.002","8.03","0.003","19.073","0.007","90","","94.875","0.01","90","","952.7","0.6","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 S -","- C20 H24 O3 S -","- C40 H48 O6 S2 -","2","1","","Zhao, Lingzi; Liu, Feipeng; Zhuang, Yan; Shen, Mengyang; Xue, Jing; Wang, Xuchao; Zhang, Yuting; Rong, Zi-Qiang","CoH-Catalyzed Asymmetric Remote Hydroalkylation of Heterocyclic Alkenes: A Rapid Approach to Chiral Five-Membered S- and O-Heterocycles","Chemical Science","2024","","","","","10.1039/D4SC01149J","","x-ray","0.71073","MoKα","","0.104","0.0922","","","0.242","0.2547","","","","","","1.121","","","","has coordinates","291758","2024-05-07","22:17:55",""
"2000004","7.729","0.001","7.18","0.001","16.206","0.003","90","","100.24","0.01","90","","885.014","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Bieber, L. W.; Leblanc, M.","Room-temperature structure of cordiaquinone B","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","5","911","913","10.1107/s0108270189012023","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000008","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.369","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-(SS)-alpha-Phenyl-2-(p-Tolylsulfinyl)-3-furanmethanol","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","Retoux, R.; Girodier, L.; Rouessac, F.","(-)-(S,S)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","146","148","10.1107/s0108270194006050","","","","","","","0.0329","","","0.0329","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000054","7.467","0.002","6.802","0.001","9.673","0.003","90","","108.07","0.02","90","","467.065","","","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","","Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J.","(3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione","Acta Crystallographica Section E","2002","58","3","o256","o258","10.1107/S1600536802002337","","","","","","","0.0386","","","0.0386","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2000086","5.607","0.005","13.296","0.005","9.833","0.008","90","","90.67","0.05","90","","733.007","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C26 H28 N4 O10 S2 -","2","1","","Averbuch-Pouchot, M. T.; Durif, A.; Pera, M. H.; Hamri, A.","Structure of 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","2","299","301","10.1107/s0108270189007109","","","","","","","0.041","","","0.041","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000088","7.164","0.002","6.533","0.002","9.458","0.002","90","","105.48","0.07","90","","426.599","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H12 N O6 P -","- C4 H12 N O6 P -","- C8 H24 N2 O12 P2 -","2","1","","Masse, R.; Durif, A.","Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials","Zeitschrift für Kristallographie - Crystalline Materials","1990","190","1-4","19","32","10.1524/zkri.1989.190.14.19","","","","","","","0.033","","","0.033","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2000101","10.091","0.006","10.002","0.002","11.524","0.003","90","","105.06","0.04","90","","1123.17","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N P2 -","- C25 H23 N P2 -","- C50 H46 N2 P4 -","2","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000102","12.897","0.004","4.748","0.001","12.888","0.004","90","","126.7","0.2","90","","632.758","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C26 H28 N4 O10 -","2","1","","Averbuch-Pouchot, M.-T.; Bourdat, A.-G.; Defrancq, E.; Durif, A.; Kotera, M.; Lhomme, J.","Crystal structure of 7-nitro-1(2'-deoxy-β-D-ribofuranosyl)-indole, C~13~H~14~N~2~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","1-4","181","182","10.1524/ncrs.1998.213.14.181","","","","","","","0.0302","","","0.0302","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2000155","8.717","0.002","6.927","0.001","10.95","0.002","90","","113.01","0.02","90","","608.6","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(11aS)-1,2,3,10,11,11a-Hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione dihydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","LI0076","Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.","Structures of two DNA minor-groove binders, based on pyrrolo[2,1-c][1,4]benzodiazepines","Acta Crystallographica Section C","1991","47","12","2678","2680","10.1107/S0108270191005966","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000183","10.251","0.001","8.37","0.001","12.548","0.001","90","","95.98","0.05","90","","1070.8","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O12 -","- C18 H26 O12 -","- C36 H52 O24 -","2","1","AB0200","Kopf, J.; Topf, C.; Morf, M.; Zimmer, B.; Köll, P.","Structure of 1,2,3,4,5,6-hexa-O-acetyl-D-glucitol (sorbitol hexaacetate)","Acta Crystallographica Section C","1991","47","11","2425","2428","10.1107/S0108270191004924","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000190","8.436","0.002","16.739","0.006","11.698","0.003","90","","97.69","0.02","90","","1637","0.8","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O4 -","- C40 H44 O4 -","- C80 H88 O8 -","2","1","AB0208","van Eijck, B. P.","Structure of (Z)-1,2-dimesitylvinylene bis(mesitylenecarboxylate)","Acta Crystallographica Section C","1991","47","11","2470","2472","10.1107/S0108270191005334","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000221","7.618","0.004","22.321","0.01","8.311","0.003","90","","90.14","0.04","90","","1413.2","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 N O12 P2 -","- C6 H13 N O12 P2 -","- C24 H52 N4 O48 P8 -","4","2","MU0238","Weichsel, A.; Lis, T.; Kuczek, M.","Structure of ammonium hydrogen bis(phosphoenolpyruvate)","Acta Crystallographica Section C","1991","47","10","2164","2167","10.1107/S0108270191003979","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000222","10.2585","0.0003","19.7992","0.0007","9.9408","0.0004","90","","92.009","0.004","90","","2017.84","0.12","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O3 -","- C22 H26 N4 O3 -","- C88 H104 N16 O12 -","4","2","AB0201","Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K.","Structures of novel macrocyclic dipyridylmethaneamides","Acta Crystallographica Section C","1991","47","10","2171","2176","10.1107/S0108270191004596","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000240","9.666","0.002","9.933","0.002","16.023","0.003","90","","106.01","0.02","90","","1478.7","0.5","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H40 B N O -","- C37 H40 B N O -","- C74 H80 B2 N2 O2 -","2","1","CR0304","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structures of two N-acyl triethyl ammonium salts and one simple triethyl ammonium salt","Acta Crystallographica Section C","1991","47","10","2249","2252","10.1107/S0108270191005152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000250","13.107","0.012","11.828","0.008","7.74","0.006","90","","109.93","0.06","90","","1128.1","1.6","","","","","","","","","","","","3","P 1 21 1","","","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","LI0059","Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.","Camphoric acid and ammonium hydrogen camphorate monohydrate","Acta Crystallographica Section C","1991","47","9","1888","1892","10.1107/S0108270191001713","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000281","5.632","0.001","14.636","0.003","13.914","0.003","90","","90.57","0.01","90","","1146.9","0.4","","","","","","","","","","","","4","P 1 21 1","","","","","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","2","AB0162","Padmaja, N.; Ramakumar, S.; Viswamitra, M. A.","Structure of 5-methylcytidine","Acta Crystallographica Section C","1991","47","7","1445","1448","10.1107/S0108270190012264","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000286","4.748","0.003","8.362","0.006","11.428","0.007","90","","92.01","0.03","90","","453.4","0.5","","","","","","","","","","","","3","P 1 21 1","","","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C14 H32 O14 -","2","1","AB0175","Kopf, J.; Köll, P.; Angyal, S. J.","Structure of D-glycero-L-galacto-heptitol","Acta Crystallographica Section C","1991","47","7","1503","1506","10.1107/S010827019001349X","","","1.54051","cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000295","10.2759","0.0012","22.353","0.003","10.4051","0.0012","90","","106.502","0.009","90","","2291.6","0.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C48 H66 N4 O11 -","- C48 H65 N4 O11 -","- C96 H130 N8 O22 -","2","1","ST0486","Lynch, V. M.; Stamford, A.; Magnus, P.; Davis, B. E.","Structure of 18'-epivinblastine","Acta Crystallographica Section C","1991","47","7","1563","1566","10.1107/S010827019100029X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000304","10.819","0.005","6.591","0.006","18.044","0.008","90","","92.91","0.04","90","","1285","1.4","","","","","","","","","","","","3","P 1 21 1","","","","","","- C24 H36 O11 -","- C24 H36 O11 -","- C48 H72 O22 -","2","1","ST0487","Sun, K.-L.; Chan, J. A.; Baures, P. W.; Eggleston, D. S.","Paucin methanolate","Acta Crystallographica Section C","1991","47","6","1253","1256","10.1107/S0108270190014068","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000312","8.2878","0.0008","31.018","0.004","9.2267","0.0007","90","","105.211","0.007","90","","2288.8","0.4","","","","","","","","","","","","4","P 1 21 1","","","","","","- C47 H66 N4 O12 -","- C47 H66 N4 O12 -","- C94 H132 N8 O24 -","2","1","ST0489","Lynch, V. M.; Stamford, A.; Magnus, P.; Davis, B. E.","Structure of a novel bisindole derivative","Acta Crystallographica Section C","1991","47","6","1342","1345","10.1107/S0108270190013191","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000319","10.697","0.001","11.467","0.002","14.229","0.002","90","","98.86","0.01","90","","1724.5","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","TR0399","Reynolds, W. F.; Lough, A. J.; Sawyer, J. F.; Enriquez, R. G.; Ortiz, B.; Walls, F.","Structure of (4α)-kaura-9(11),16-dien-18-oic acid (grandiflorenic acid), an active ingredient of the Mexican medicinal plant zoapatle","Acta Crystallographica Section C","1991","47","5","973","977","10.1107/S0108270190008186","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000326","9.527","0.002","11.182","0.003","7.078","0.001","90","","108.45","0.01","90","","715.3","0.3","","","","","","","","","","","","3","P 1 21 1","","","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","CR0272","Duax, W. L.; Griffin, J. F.; Strong, P. D.","Structure of 9β-estrone","Acta Crystallographica Section C","1991","47","5","1096","1097","10.1107/S0108270190011763","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000329","8.7302","0.0012","15.597","0.002","14.463","0.002","90","","104.797","0.01","90","","1904","0.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C38 H56 N2 O9 -","- C38 H56 N2 O9 -","- C76 H112 N4 O18 -","2","1","ST0470","Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.","Structure of a fully protected seco-erythronolide B acid derivative","Acta Crystallographica Section C","1991","47","5","1117","1120","10.1107/S0108270190012008","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000350","11.163","0.002","15.499","0.003","10.427","0.002","90","","94.18","0.03","90","","1799.2","0.6","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H38 Co O P3 S -","- C41 H38 Co O P3 S -","- C82 H76 Co2 O2 P6 S2 -","2","1","AS1001","Wei, G.; Huang, Z.; Lei, X.; Cao, R.; Jiang, F.; Hong, M.; Liu, H.","Structure of [bis(2-diphenylphosphinoethyl)phenylphosphine-P,P,P]carbonyl(phenylthiolato)cobalt(I), [Co{Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~}(SPh)(CO)]","Acta Crystallographica Section C","1992","48","12","2130","2132","10.1107/S0108270192003731","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000370","14.3799","0.0007","5.0922","0.0007","16.4737","0.0011","90","","108.717","0.004","90","","1142.5","0.19","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","2","AB0233","Kozma, D.; Larsen, S.; Ács, M.","Structure of (R)-N-(1-phenylethyl)succinamic acid at 110 K","Acta Crystallographica Section C","1992","48","12","2182","2185","10.1107/S0108270192003652","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","205898","2020-10-21","18:00:00",""
"2000374","6.746","0.001","7.712","0.001","12.62","0.01","90","","102.86","0.01","90","","640.1","0.5","","","","","","","","","","","","3","P 1 21 1","","","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C26 H48 O6 -","2","1","AL0522","Rodríguez, M. L.; Brito B, I.; González, A. G.; Almonacid, L. N.; Pérez, C.; Trujillo, J. M.","Structure of a new C~13~-norisoprenoid","Acta Crystallographica Section C","1992","48","12","2192","2194","10.1107/S0108270192002610","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000375","10.307","0.003","9.364","0.003","7.394","0.002","90","","104.65","0.02","90","","690.4","0.4","","","","","","","","","","","","4","P 1 21 1","","","","","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","PA0277","Chiaroni, A.; Langlois, N.; Riche, C.; Snatzke, G.","Structure of (2S,5S)-2-hydroxymethyl-5-methoxy-N-o-nitrobenzoylpyrrolidine","Acta Crystallographica Section C","1992","48","12","2194","2196","10.1107/S0108270192003664","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000383","10.9026","0.0007","19.614","0.001","16.8211","0.0009","90","","94.512","0.005","90","","3585.9","0.4","","","","","","","","","","","","6","P 1 21 1","","","","","","- C39 H33 N O4 S2 Sn -","- C39 H28 N O4 S2 Sn -","- C156 H112 N4 O16 S8 Sn4 -","4","2","AS0550","Ng, S. W.; Chen, W.; Kumar Das, V. G.","Structure of the dibenzyl sulfoxide adduct of N-triphenylstannyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","Acta Crystallographica Section C","1992","48","12","2211","2213","10.1107/S0108270192003299","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000398","9.6127","0.001","5.6194","0.0004","15.66","0.002","90","","103.687","0.008","90","","821.89","0.15","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(1,3-benzodioxole)","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","HH0597","Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.","Structures of three tetrahydrofurofurane-type lignanes","Acta Crystallographica Section C","1992","48","12","2240","2244","10.1107/S0108270192003901","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206309","2020-10-21","18:00:00",""
"2000401","17.44","0.005","13.267","0.001","12.168","0.002","90","","110.49","0.08","90","","2637.3","1.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O7 -","- C27 H40 O7 -","- C108 H160 O28 -","4","2","CR0399","Grochulski, P.; Wawrzak, Z.; Gałdecki, Z.; Duax, W. L.; Strong, P. D.","Structure of 5β-pregnane-3α,6α,17α-triol triacetate","Acta Crystallographica Section C","1992","48","12","2247","2249","10.1107/S0108270192003494","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000416","6.1749","0.0004","8.0494","0.0004","14.0057","0.0005","90","","96.078","0.004","90","","692.23","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R)-1,2-diphenyl-1,2-ethanediamine monohydrobromide","","- C14 H17 Br N2 -","- C14 H17 Br N2 -","- C28 H34 Br2 N4 -","2","1","AB1027","Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D.","(1R,2R)-1,2-Diphenyl-1,2-ethanediamine monohydrobromide","Acta Crystallographica Section C","1992","48","12","2273","2275","10.1107/S0108270192008953","","","0.7093","MolybdenumKα","","0.027","0.021","","0.028","0.026","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000418","14.87","0.001","5.411","0.001","8.15","0.001","90","","95.71","0.02","90","","652.51","0.15","297","","","","","","","","","","","4","P 1 21 1","","","","5'-O-acetyl-4'-cyano-2',3'-didehydro-2',3'-dideoxyuridine","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","AS1021","Yamaguchi, K.; Haraguchi, K.; Tanaka, H.; Itoh, Y.; Miyasaka, T.","Structure of a 4'-C-branched 2',3'-didehydro-2',3'-dideoxyuridine","Acta Crystallographica Section C","1992","48","12","2277","2278","10.1107/S0108270192009077","","","1.5405","CuKα~1~","","","0.047","","","0.046","","","","","3.04","3.04","","","","","has coordinates","189488","2020-10-21","18:00:00",""
"2000431","6.55","0.003","17.318","0.006","20.129","0.006","90","","98.83","0.03","90","","2256.2","1.5","","","","","","","","","","","","5","P 1 21 1","","","","","","- C22 H29 N O3 Si -","- C22 H29 N O3 Si -","- C88 H116 N4 O12 Si4 -","4","2","HH0589","Marsh, R. E.; Schaefer, W. P.; Widdowson, K. L.; Myers, A. G.","Structure of an anti-aldol addition product of benzaldehyde and a pseudoephedrine-derived O-silyl ketene N,O-acetal","Acta Crystallographica Section C","1992","48","11","1948","1951","10.1107/S0108270192002233","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000448","10.867","0.002","5.79","0.001","14.74","0.002","90","","94.75","0.01","90","","924.3","0.3","","","","","","","","","","","","4","P 1 21 1","","","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","AL0535","Qing, C. Y.; de Wit, D.; van Rantwijk, F.; van Koningsveld, H.; Maat, L.","Structure of a phenylhydrazone of diacetone protected 3-keto-glucose","Acta Crystallographica Section C","1992","48","11","1994","1996","10.1107/S0108270192002798","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2000467","11.278","0.005","15.195","0.005","19.92","0.01","90","","91.6","0.04","90","","3412","3","","","","","","","","","","","","5","P 1 21 1","","","","","","- C50 H77 N15 O31 Pt5 -","- C50 H50 N15 O31 Pt5 -","- C100 H100 N30 O62 Pt10 -","2","1","DU0338","Khodadad, P.; Rodier, N.","Penta[bis(5-oxoprolinato)platinate(II) d'ammonium] monohydrate","Acta Crystallographica Section C","1992","48","11","2029","2031","10.1107/S0108270192003275","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000495","31.196","0.008","7.748","0.001","10.154","0.002","90","","96.32","0.02","90","","2439.4","0.9","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 N O4 S -","- C26 H31 N O4 S -","- C104 H124 N4 O16 S4 -","4","2","KA1007","Stanković, S.; Stefanović, A.; Bruvo, M.; Altomare, A.","D-Secoestrone derivatives. II. 16-Cyano-3-methoxy-16,17-secoestra-1,3,5(10)-trien-17-yl p-toluenesulfonate","Acta Crystallographica Section C","1992","48","11","2082","2085","10.1107/S0108270192006450","","","1.5418","CuKα","","","0.057","","","0.061","","","","","0.6","0.6","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000499","6.562","0.004","20.473","0.011","15.202","0.006","90","","94.73","","90","","2035.3","1.8","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 Si -","- C19 H29 N O3 Si -","- C76 H116 N4 O12 Si4 -","4","2","HH1008","Schaefer, W. P.; Subramanian, V.; Myers, A. G.","Structure of an 11-membered cyclic silyl enol ether from condensation of methacrolein and a pseudoephedrine-derived O-silyl ketene N,O-acetal","Acta Crystallographica Section C","1992","48","11","2090","2092","10.1107/S0108270192006851","","","0.71073","MoKα","","","","","","0.05","","","","","1.72","1.72","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000524","9.7018","0.0006","10.9221","0.0008","9.9519","0.0007","90","","114.38","0.06","90","","960.5","0.5","","","","","","","","","","","","5","P 1 21 1","","","","","","- C18 H30 Cl N2 O -","- C18 H29 Cl N2 O -","- C36 H58 Cl2 N4 O2 -","2","1","KA0013","Csöregh, I.","Structures and absolute configurations of enantiomers of two local anaesthetics: (2S)-1-methyl- and (2R)-1-butyl-2',6'-pipecoloxylidide hydrochlorides","Acta Crystallographica Section C","1992","48","10","1794","1798","10.1107/S0108270192001604","","","1.54183","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000528","11","0.02","7.48","0.01","7.49","0.01","90","","114.3","0.1","90","","561.7","1.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C24 H34 N2 O4 -","2","1","PA0249","Lapasset, J.; El Marini, A.; Roumestant, M. L.; Vidal, Y.; Viallefont, P.","Structure of the lactonic adduct from 2-hydroxypinan-3-one and glycine","Acta Crystallographica Section C","1992","48","10","1806","1808","10.1107/S0108270192001823","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000549","15.608","0.004","8.637","0.002","17.273","0.005","90","","97.71","0.02","90","","2307.5","1","","","","","","","","","","","","5","P 1 21 1","","","","","","- C23 H34 Cl N O3 -","- C23 H34 Cl N O3 -","- C92 H136 Cl4 N4 O12 -","4","2","HH0604","Flippen-Anderson, J. L.; George, C. F.","Absolute configuration of ({-})-α-acetylmethadol hydrochloride","Acta Crystallographica Section C","1992","48","10","1855","1857","10.1107/S0108270192001409","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2000553","8.732","0.006","7.639","0.005","14.966","0.01","90","","95.85","0.02","90","","993.1","1.2","","","","","","","","","","","","4","P 1 21 1","","","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C44 H54 N2 O8 -","2","1","KA0018","Ribár, B.; Lazar, D.; Radivojević, P.; Engel, P.; Gašić, O.; Kanyó, I.","Structure of corydaline","Acta Crystallographica Section C","1992","48","10","1864","1866","10.1107/S0108270192001951","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000561","13.686","0.002","5.874","0.002","11.03","0.003","90","","96.62","0.03","90","","880.8","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","PA0237","Bocelli, G.; Cantoni, A.","2-Menthyl (2-hydroxyphenyl)glycolate","Acta Crystallographica Section C","1992","48","10","1880","1881","10.1107/S0108270192002324","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000579","7.6772","0.0006","6.2628","0.0005","12.4889","0.0008","90","","104.879","0.006","90","","580.34","0.08","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","Oxonium (R)-O-acetylmandelate","","- C10 H12 O5 -","- C10 H12 O5 -","- C20 H24 O10 -","2","1","HA1019","Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D.","Oxonium (R)-O-acetylmandelate","Acta Crystallographica Section C","1992","48","10","1909","1911","10.1107/S0108270192008199","","","0.7093","MolybdenumKα","","0.053","0.039","","0.061","0.055","","","","","1.24","1.24","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2000599","11.453","0.003","7.163","0.004","11.929","0.002","90","","111.86","0.02","90","","908.3","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-4-Benzyl-3-[(4S,5S)-(1-methoxy-5-methylcyclohexen-4-yl)carbonyl]-2-oxazolidinone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","HH0568","Marsh, R. E.; Schaefer, W. P.; Kukkola, P. J.; Myers, A. G.","A chiral N-crontonyloxazolidinone Diels-Alder adduct","Acta Crystallographica Section C","1992","48","9","1622","1624","10.1107/S0108270192000738","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000601","9.304","0.002","10.987","0.002","11.833","0.002","90","","109.65","0.01","90","","1139.2","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 Cl N O3 -","- C25 H34 Cl N O3 -","- C50 H68 Cl2 N2 O6 -","2","1","AL0525","Woudenberg, R. H.; Lie, T. S.; van Koningsveld, H.; Maat, L.","Structure of 5β,10α,10β-triethylthebaine hydrochloride","Acta Crystallographica Section C","1992","48","9","1630","1633","10.1107/S0108270192000994","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000614","7.398","0.001","11.439","0.002","10.727","0.002","90","","106.42","0.01","90","","870.8","0.3","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C34 H56 Cl2 N4 Rh2 -","2","1","SE0084","Flörke, U.; Ortmann, U.; Haupt, H.-J.","Rhodium(I)-cyclooctadiene (cod) complexes with the N-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)","Acta Crystallographica Section C","1992","48","9","1663","1665","10.1107/S0108270191015111","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000625","8.67","0.001","17.149","0.001","9.224","0.001","90","","95.88","0.01","90","","1364.2","0.2","","","","","","","","","","","","4","P 1 21 1","","","","","","- C20 H36 O5 S5 -","- C20 H36 O5 S5 -","- C40 H72 O10 S10 -","2","1","GE0300","Divjaković, V.; Miljković, D.; Lajšić, S.; Klement, U.","Structure of 4,5-di-O-acetyl-6-S-acetyl-2,3-di-S-ethyl-2,3,6-trithio-D-allose diethyl dithioacetal","Acta Crystallographica Section C","1992","48","9","1685","1686","10.1107/S0108270192000775","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000651","9.279","0.001","14.035","0.001","9.123","0.001","90","","117.37","0.01","90","","1055.1","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","meropenem","(1R,5S,6S)-2-[(3S,5S)-5-Dimethylaminocarbonylpyrrolidin-3-ylthio]- 6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate trihydrate","","- C17 H31 N3 O8 S -","- C17 H31 N3 O8 S -","- C34 H62 N6 O16 S2 -","2","1","AS1005","Yanagi, K.; Takeuchi, Y.; Sunagawa, M.","Structure of a novel carbapenem antibiotic, meropenem","Acta Crystallographica Section C","1992","48","9","1737","1739","10.1107/S0108270192004608","","","1.5418","CuKα","","0.036","0.034","","","0.046","","","","","1.82","1.82","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000673","7.901","0.001","10.147","0.001","11.37","0.002","90","","93.6","0.01","90","","909.8","0.2","","","","","","","","","","","","6","P 1 21 1","","","","","","- C19 H14 N O2 S2 Tc -","- C19 H14 N O2 S2 Tc -","- C38 H28 N2 O4 S4 Tc2 -","2","1","SE0080","Bandoli, G.; Mazzi, U.; Pietzsch, H.-J.; Spies, H.","Structure of (benzenethiolato)oxo[N-(2-sulfidophenyl)salicylideneiminato(2-)-O,N,S]technetium(V)","Acta Crystallographica Section C","1992","48","8","1422","1425","10.1107/S0108270191014798","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189098","2020-10-21","18:00:00",""
"2000705","13.345","0.003","7.729","0.002","10.471","0.002","90","","101.18","0.02","90","","1059.5","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 D3 O3 -","- C23 H37 D3 O3 -","- C46 H74 D6 O6 -","2","1","CR0374","McMullan, R. K.; Koetzle, T. F.; Fronckowiak, M. D.","Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol methanolate from neutron diffraction at 123 K","Acta Crystallographica Section C","1992","48","8","1509","1512","10.1107/S0108270192000234","","neutron","1.0508","neutron","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000708","24.386","0.003","10.816","0.002","9.983","0.001","90","","92.71","0.01","90","","2630.2","0.6","","","","","","","","","","","","4","P 1 21 1","","","","","","- C46 H83 N O18 -","- C46 H77 N O19 -","- C92 H154 N2 O38 -","2","1","AS0564","Nakai, H.; Matsutani, S.","Structure of concanamycin A pentahydrate","Acta Crystallographica Section C","1992","48","8","1519","1521","10.1107/S0108270191014749","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","191088","2020-10-21","18:00:00",""
"2000717","9.101","0.003","8.612","0.006","13.79","0.005","90","","92.29","0.03","90","","1080","0.9","","","","","","","","","","","","5","P 1 21 1","","","","","","- C22 H35 N2 O2 P -","- C22 H35 N2 O2 P -","- C44 H70 N4 O4 P2 -","2","1","CD0066","Simard, M.; Beaudoin, S.; Hanessian, S.","Structure of a chiral bicyclic β-hydroxyphosphonamide - a product of kinetic resolution in an olefination reaction, C~22~H~35~N~2~O~2~P","Acta Crystallographica Section C","1992","48","8","1535","1537","10.1107/S0108270191014695","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000719","7.842","0.001","13.84","0.002","8.536","0.001","90","","100.04","0.01","90","","912.3","0.2","292","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","NA1003","Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.","Two eudesmanolide-type sesquiterpene lactones from Umbelliferae","Acta Crystallographica Section C","1992","48","8","1543","1547","10.1107/S0108270192004268","","","1.54178","CuKα","","","0.039","","","0.053","","","","","3.4","3.4","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000720","8.035","0.001","7.208","0.001","15.887","0.003","90","","90.92","0.01","90","","920","0.2","292","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","NA1003","Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.","Two eudesmanolide-type sesquiterpene lactones from Umbelliferae","Acta Crystallographica Section C","1992","48","8","1543","1547","10.1107/S0108270192004268","","","1.54178","CuKα","","","0.041","","","0.051","","","","","3.1","3.1","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000721","8.465","0.002","6.062","0.001","11.901","0.002","90","","95.78","0.01","90","","607.6","0.2","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(4-methylphenyl)-1H-indene-1,3(2H)-dione","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","AL1009","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","Structure of 2-(4-methylphenyl)-1H-indene-1,3(2H)-dione","Acta Crystallographica Section C","1992","48","8","1547","1549","10.1107/S0108270192005742","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000732","9.181","0.003","14.841","0.006","11.598","0.004","90","","113.3","0.02","90","","1451.4","0.9","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H34 Cl2 P2 Ru -","- C32 H34 Cl2 P2 Ru -","- C64 H68 Cl4 P4 Ru2 -","2","1","HA1005","Blake, A. J.; Easton, T.; Stephenson, T. A.","cis-Dichlorobis(1-butenyldiphenylphosphine)ruthenium(II)","Acta Crystallographica Section C","1992","48","8","1567","1568","10.1107/S0108270192004955","","","0.71073","MoKα","","","0.0583","","","0.0704","","","","","1.29","1.29","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000826","12.639","0.001","10.185","0.001","7.851","0.004","90","","96.92","0.01","90","","1003.3","0.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C44 H42 N6 O4 -","2","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of N-aryl-N-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000836","9.35","0.006","9.271","0.002","9.695","0.012","90","","108.38","0.03","90","","797.5","1.1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C32 H40 N4 O6 -","2","1","LI0095","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.","Structure of a biologically active conjugate of auxin: N-indol-3-ylacetyl-L-norleucine at 297 and 133 K","Acta Crystallographica Section C","1992","48","6","1079","1082","10.1107/S0108270191012969","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000837","9.474","0.006","9.163","0.004","9.524","0.006","90","","107.83","0.03","90","","787.1","0.8","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C32 H40 N4 O6 -","2","1","LI0095","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.","Structure of a biologically active conjugate of auxin: N-indol-3-ylacetyl-L-norleucine at 297 and 133 K","Acta Crystallographica Section C","1992","48","6","1079","1082","10.1107/S0108270191012969","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000850","7.931","0.001","7.95","0.001","8.929","0.001","90","","102.81","0.01","90","","548.97","0.12","","","","","","","","","","","","3","P 1 21 1","","","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","AL0508","Blaser, D.; Gunzinger, J.; Stoeckli-Evans, H.; Tabacchi, R.","Structure of 2-methoxy methyl β-orcinol carboxylate (methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)","Acta Crystallographica Section C","1992","48","6","1126","1127","10.1107/S010827019101274X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000856","8.1849","0.0008","8.9456","0.0014","12.0258","0.0014","90","","100.878","0.008","90","","864.69","0.19","","","","","","","","","","","","4","P 1 21 1","","","","","","- C15 H26 O4 S2 -","- C15 H26 O4 S2 -","- C30 H52 O8 S4 -","2","1","ST0549","Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.","Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer","Acta Crystallographica Section C","1992","48","6","1145","1148","10.1107/S0108270191013379","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000858","7.746","0.003","11.965","0.005","12.538","0.004","90","","91.86","0.03","90","","1161.4","0.8","","","","","","","","","","","","6","P 1 21 1","","","","","","- C5 H15 N O4 S2 Si -","- C5 H15 N O4 S2 Si -","- C20 H60 N4 O16 S8 Si4 -","4","2","HA0087","Jones, P. G.; Weinkauf, A.","Redetermination of the structure of N-(trimethylsilyl)dimesylamine [(H~3~C)~3~SiN(SO~2~CH~3~)~2~] at 178 K","Acta Crystallographica Section C","1992","48","6","1150","1151","10.1107/S0108270191013355","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000909","11.814","0.005","7.803","0.001","10.871","0.004","90","","91.41","0.04","90","","1001.8","0.6","","","","","","","","","","","","2","P 1 21 1","","","","","","- C34 H18 -","- C34 H18 -","- C68 H36 -","2","1","AS0534","Izuoka, A.; Wakui, K.; Fukuda, T.; Sato, N.; Sugawara, T.","Refined molecular structure of tetrabenzo[de,hi,op,st]pentacene","Acta Crystallographica Section C","1992","48","5","900","902","10.1107/S0108270191011800","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000918","10.063","0.001","8.206","0.001","14.856","0.001","90","","104.84","0.01","90","","1185.8","0.2","","","","","","","","","","","","6","P 1 21 1","","","","","","- C21 H28 Cl2 N O5 P -","- C21 H28 Cl2 N O5 P -","- C42 H56 Cl4 N2 O10 P2 -","2","1","AB0249","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and dichloro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","5","925","929","10.1107/S0108270191011721","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000937","9.578","0.001","13.692","0.001","8.508","0.001","90","","102.783","0.009","90","","1088.1","0.19","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","AB1002","Rychlewska, U.","Unusual conformation of (R,R)-N,N,N',N'-tetramethyltartramide (I) and its O,O'-dibenzoyl derivative (II)","Acta Crystallographica Section C","1992","48","5","965","969","10.1107/S0108270192000921","","","1.54178","CuKα","","","0.036","","","0.05","","","","","3.4","3.4","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000966","8.991","0.009","6.247","0.007","13.611","0.015","90","","92.53","0.06","90","","763.7","1.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Na2 O14 P -","- C6 H21 Na2 O14 P -","- C12 H42 Na4 O28 P2 -","2","1","MU0275","Lis, T.; Weichsel, A.","Structure of disodium β-D-fructopyranose 1-phosphate pentahydrate","Acta Crystallographica Section C","1992","48","4","693","696","10.1107/S0108270191010922","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000985","10.2612","0.0008","8.167","0.0008","15.2974","0.0012","90","","108.885","0.006","90","","1212.96","0.18","","","","","","","","","","","","5","P 1 21 1","","","","","","- C10 H11 N O6 S -","- C10 H11 N O6 S -","- C40 H44 N4 O24 S4 -","4","2","ST0535","Sun, G.; Fronczek, F. R.; Gandour, R. D.","(R)-(1-Methyloxiranyl)methyl 4-nitrobenzenesulfonate","Acta Crystallographica Section C","1992","48","4","758","760","10.1107/S0108270191010995","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000989","5.9476","0.0004","8.1253","0.001","12.0198","0.0012","90","","100.938","0.007","90","","570.32","0.1","","","","","","","","","","","","3","P 1 21 1","","","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C30 H20 O8 -","2","1","ST0545","Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","3-(2,6-Dihydroxyphenyl)-1H-2-benzopyran-1-one","Acta Crystallographica Section C","1992","48","4","765","767","10.1107/S0108270191010600","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000997","9.769","0.001","9.08","0.001","12.474","0.002","90","","100.98","0.08","90","","1086.2","0.4","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H18 Co N5 O6 S -","- C3 H17.5 Co N5 O6 S -","- C12 H70 Co4 N20 O24 S4 -","4","2","MU0224","Prelesnik, B.; Andjelković, K.; Juranić, N.","Structure of [(S)-alaninato]tetraamminecobalt(III) sulfate","Acta Crystallographica Section C","1992","48","3","427","429","10.1107/S0108270191008946","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001023","9.808","0.002","8.019","0.004","13.755","0.003","90","","105.73","0.02","90","","1041.3","0.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C40 H72 O8 -","2","1","AB0228","Berg, J.-E.; Wahlberg, I.","Structure of a 7,8-epoxycembranoid isolated from tobacco","Acta Crystallographica Section C","1992","48","3","566","568","10.1107/S0108270191010326","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001025","9.976","0.004","6.96","0.004","11.906","0.004","90","","93.67","0.03","90","","825","0.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","ST0541","Baures, P. W.; Miski, M.; Eggleston, D. S.","Structure of sesamin","Acta Crystallographica Section C","1992","48","3","574","576","10.1107/S010827019101034X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001028","10.122","0.001","7.826","0.001","13.715","0.001","90","","92.99","0.01","90","","1084.95","0.19","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F N O5 P -","- C21 H29 F N O5 P -","- C42 H58 F2 N2 O10 P2 -","2","1","AB0244","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and fluoro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","3","587","590","10.1107/S0108270191011204","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001029","9.679","0.001","8.115","0.001","13.797","0.001","90","","98.14","0.02","90","","1072.8","0.2","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F N O5 P -","- C21 H29 F N O5 P -","- C42 H58 F2 N2 O10 P2 -","2","1","AB0244","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and fluoro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","3","587","590","10.1107/S0108270191011204","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001030","5.8653","0.0002","11.1843","0.0007","15.9975","0.0012","90","","93.308","0.004","90","","1047.68","0.11","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2,3-Dideoxy-3-fluoro-β-D-erythro-pento-furanosyl)-5-fluorouracil","","- C9 H10 F2 N2 O4 -","- C9 H10 F2 N2 O4 -","- C36 H40 F8 N8 O16 -","4","2","GE0282","Everaert, D. H.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.; Van Aerschot, A.; Herdewijn, P.","Structure of a nucleoside analogue 2',3'-dideoxy-3',5-difluorouridine","Acta Crystallographica Section C","1992","48","3","590","592","10.1107/S0108270191011022","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","205898","2020-10-21","18:00:00",""
"2001045","9.756","0.003","10.383","0.003","6.558","0.002","90","","109.13","0.02","90","","627.6","0.3","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 Cl2 N2 O2 Zn -","- C6 H18 Cl2 N2 O2 Zn -","- C12 H36 Cl4 N4 O4 Zn2 -","2","1","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001066","11.537","0.002","8.552","0.002","13.916","0.004","90","","92.39","0.02","90","","1371.8","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H42 O7 Si -","- C25 H48 O7 Si -","- C50 H96 O14 Si2 -","2","1","ST0530","Abboud, K. A.; Enholm, E. J.; Trivellas, A.","Structure of a densely oxygenated carbocycle","Acta Crystallographica Section C","1992","48","2","370","372","10.1107/S0108270191008879","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001067","13.354","0.0003","8.1671","0.0002","10.4791","0.0003","90","","91.331","0.007","90","","1142.58","0.05","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 Br N O5 P -","- C21 H28 Br N O5 P -","- C42 H56 Br2 N2 O10 P2 -","2","1","AB0223","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; Smits, J. M. M.","Structures of a pair of diastereomeric salts of ephedrine and bromo-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","2","372","376","10.1107/S010827019100906X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001082","6.922","0.002","16.733","0.002","10.07","0.003","90","","96.88","0.02","90","","1158","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H38 O6 S -","- C22 H38 O6 S -","- C44 H76 O12 S2 -","2","1","HA0072","Feneau-Dupont, J.; Declercq, J.-P.; Huart, C.","Structure of [(1S)-1-[(1'S)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1S,2S,3R)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone","Acta Crystallographica Section C","1992","48","2","402","404","10.1107/S0108270191008545","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001107","9.095","0.001","7.087","0.001","14.149","0.002","90","","107.87","0.03","90","","868","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H31 I -","- C18 H30 I -","- C36 H60 I2 -","2","1","HA0064","Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D.","Structure of 3,5-di-tert-butyl-10-iodoprotoadamantane","Acta Crystallographica Section C","1992","48","1","131","133","10.1107/S0108270191007758","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001123","13.525","0.007","7.549","0.004","13.646","0.007","90","","90.02","0.04","90","","1393.3","1.3","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","2","ST0527","Baures, P. W.; Sun, K.-L.; Chan, J. A.; Eggleston, D. S.","Structure of hymenoratin","Acta Crystallographica Section C","1992","48","1","211","213","10.1107/S0108270191008867","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001124","5.206","0.002","17.294","0.004","10.972","0.002","90","","98.91","0.01","90","","975.9","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H N O4 -","- C42 H2 N2 O8 -","2","1","MU0261","Gikas, M.; Agelis, G.; Matsoukas, J.; Moore, G. J.; Dupont, L.; Englebert, S.","Structure of N-tert-butoxycarbonyl-L-phenylalanine benzyl ester","Acta Crystallographica Section C","1992","48","1","216","217","10.1107/S0108270191007771","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001126","8.9319","0.0006","5.7057","0.0006","12.465","0.002","90","","110.7","0.01","90","","594.24","0.13","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H11 Cl Hg N2 O5 -","- C9 H9 Cl Hg N2 O5 -","- C18 H18 Cl2 Hg2 N4 O10 -","2","1","GR1008","Toma, P. H.; Dalla Riva Toma, J. M.; Bergstrom, D. E.","Structure of 5-chloromercurio-2'-deoxyuridine","Acta Crystallographica Section C","1993","49","12","2047","2049","10.1107/S0108270193007565","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001210","7.4764","0.0005","14.938","0.0007","9.7315","0.0003","90","","110.022","0.004","90","","1021.15","0.09","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 N4 Ni O7 S2 -","- C16 H22 N4 Ni O7 S2 -","- C32 H44 N8 Ni2 O14 S4 -","2","1","SH1041","Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W.","Aqua[1,8-di(2-pyridyl)-3,6-dithiaoctane-N,N',S,S'](nitrato-O)nickel(II) nitrate","Acta Crystallographica Section C","1993","49","11","1918","1920","10.1107/S010827019300352X","","","0.7093","MoKα","","","0.031","","","0.034","","","","","0.74","0.74","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001213","8.169","0.002","19.599","0.007","10.737","0.003","90","","99.18","0.02","90","","1697","0.9","293","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 B Cl In N7 O2 -","- C32 H36 B Cl In N7 O2 -","- C64 H72 B2 Cl2 In2 N14 O4 -","2","1","AL1033","Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A.","Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands","Acta Crystallographica Section C","1993","49","11","1923","1926","10.1107/S0108270193004949","","","0.71069","MoKα","","","0.034","","","0.043","","","","","1.01","1.01","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001216","5.1","0.002","10.051","0.004","16.453","0.007","90","","94.82","0.05","90","","840.4","0.6","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Cu N5 O3 -","- C16 H17 Cu N5 O3 -","- C32 H34 Cu2 N10 O6 -","2","1","DU1037","Kettmann, V.; Frešová, E.; Bláhová, M.; Krätsmár-Šmogrovič, J.","Structure of (pyrazole-κN^2^)[(S)-N-salicylidene-κO-alaninato(2‒)-κN,κO]copper(II)‒pyrazole (1/1)","Acta Crystallographica Section C","1993","49","11","1932","1934","10.1107/S0108270193003476","","","0.71069","MoKα","","","0.041","","","0.059","","","","","1.36","1.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001259","7.687","0.003","11.553","0.005","16.003","0.008","90","","91.26","0.03","90","","1420.8","1.1","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","cerleaside-A","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","PA1053","Nguyen-Ngoc, S.; Nguyen-Ngoc, H.; Khuong-Huu, F.; Khuong-Huu, Q.; Chiaroni, A.; Riche, C.","Study of cerleaside A, a glycoside from Cerbera odollam","Acta Crystallographica Section C","1993","49","11","2020","2022","10.1107/S0108270193004500","","","1.5418","CuKα","","","0.048","","","0.066","","","","","1.45","1.45","","","","","has coordinates","194455","2020-10-21","18:00:00",""
"2001268","13.394","0.008","4.718","0.002","8.084","0.007","90","","103.12","0.02","90","","497.5","0.6","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C26 H18 N2 O4 -","2","1","OH1020","Terao, H.; Kakuta, A.; Fukazawa, Y.","3-Aminoxanthene-9-one","Acta Crystallographica Section C","1993","49","11","2041","2042","10.1107/S010827019300410X","","","0.71073","MoKα","","","0.043","","","0.056","","","","","1.83","1.83","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001305","8.9413","0.0008","7.434","0.001","10.686","0.002","90","","101.27","0.01","90","","696.6","0.17","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H6 N4 O7 -","- C14 H6 N4 O7 -","- C28 H12 N8 O14 -","2","1","SH1037","Ramm, M.; Kind, J.; Niclas, H.-J.","Structure of 5,7-dinitro-2,1,3-benzoxadiazol-4-yl phenyl diketone","Acta Crystallographica Section C","1993","49","10","1779","1781","10.1107/S0108270193001659","","","0.71073","MoKα","","","0.032","","","0.042","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001310","11.756","0.004","7.564","0.003","17.261","0.008","90","","99.78","0.05","90","","1512.6","1.1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2S-[2β,3α,6β,9β]- hexahydropyrido [2,1-b][1,3,4] oxadiazin","","- C16 H21 N3 O -","- C16 H21 N3 O -","- C64 H84 N12 O4 -","4","2","PA1042","Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P.","X-ray diffraction analysis of two hexahydropyrido[2,1-b][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre","Acta Crystallographica Section C","1993","49","10","1786","1789","10.1107/S0108270193002136","","","1.5418","CuKα","","","0.052","","","0.064","","","","","0.51","0.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001312","6.623","0.003","18.411","0.004","15.631","0.005","90","","96.75","0.02","90","","1892.8","1.1","150","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","2","BR1032","Parvez, M.; Bai, Y.; Sun, F.; Benn, M. H.","Delnuttaline, (6β,9β,13β)-13-acetoxy-6,9-dihydroxyhetisan-2-one","Acta Crystallographica Section C","1993","49","10","1871","1873","10.1107/S0108270193002525","","","0.71069","MoKα","","","0.048","","","0.047","","","","","2.43","2.43","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001339","7.244","0.007","9.959","0.009","13.727","0.001","90","","102.2","0.1","90","","967.9","1.3","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O -","- C22 H36 O -","- C44 H72 O2 -","2","1","LI1047","Decanniere, K.; Maes, D.; Lisgarten, J. N.; Zegers, I.; Biesemans, M.","Structure of 23,24-dinor-5α-cholan-12-one","Acta Crystallographica Section C","1993","49","10","1824","1826","10.1107/S0108270193003336","","","1.5418","CuKα","","","0.0491","","","0.0617","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001351","7.764","0.003","18.692","0.008","13.775","0.006","90","","100.05","0.03","90","","1968.4","1.4","243","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H60 O14 S2 -","- C34 H57 O14 S2 -","- C68 H114 O28 S4 -","2","1","CD1024","Chênevert, R.; Gagnon, R.; Bélanger-Gariépy, F.","18-Crown-6‒bis(methyl 10-camphorsulfonate) (1/2)","Acta Crystallographica Section C","1993","49","10","1796","1799","10.1107/S0108270192012794","","","0.7093","MoKα","","","0.054","","","0.059","","","","","2.31","2.31","","","","","has coordinates,has disorder","206191","2020-10-21","18:00:00",""
"2001395","11.268","0.002","11.996","0.001","12.297","0.001","90","","102.204","0.009","90","","1624.6","0.3","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N5 O12 -","- C28 N5 O12 -","- C56 N10 O24 -","2","1","HU1028","Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.","Structure of a 6-tetrahydroxybutyl-substituted 5,6,7,8-tetrahydropteridine","Acta Crystallographica Section C","1993","49","9","1649","1652","10.1107/S0108270193001593","","","1.54178","CuKα","","","0.058","","","0.071","","","","","2.48","2.48","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001402","8.242","0.004","13.423","0.008","9.935","0.007","90","","107.99","0.05","90","","1045.4","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","2R,S~s~-1-(1-Benzyloxycarbonyl-2-methylprop-1-enyl)-2-benzylaminosulfinyl-4- -oxoazetidine","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C44 H48 N4 O8 S2 -","2","1","KA1032","Vinković, M.; Herak, J. J.; Kamenar, B.","Benzyl 2-[(2R,SS)-2-(benzylaminosulfinyl)-4-oxoazetidin-1-yl]-3-methylbut-2-enoate","Acta Crystallographica Section C","1993","49","9","1663","1665","10.1107/S0108270193002616","","","0.71069","MoKα","","","0.034","","","0.057","","","","","0.9569","0.9569","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001406","5.052","0.004","11.95","0.009","18.985","0.007","90","","94.88","0.05","90","","1142","1.3","172","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N6 O9 -","- C21 H30 N6 O9 -","- C42 H60 N12 O18 -","2","1","GR1004","Görbitz, C. H.; Etter, M. C.","Structure of a 1:1 complex between L-Asp-L-Phe and L-His-Gly","Acta Crystallographica Section C","1993","49","9","1673","1676","10.1107/S010827019300246X","","","0.71069","MoKα","","","0.046","","","0.051","","","","","1.14","1.14","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001417","13.216","0.002","7.98","0.002","10.97","0.002","90","","102.39","0.01","90","","1130","0.4","288","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N3 O10 -","- C21 H25 N3 O10 -","- C42 H50 N6 O20 -","2","1","OH1015","Ogawa, T.; Matsumoto, K.; Hatayama, K.; Kitamura, K.","Structure of a 4-phenyl-1,4-dihydropyridine derivative containing a nitrooxyalkyl ester at the 3-position","Acta Crystallographica Section C","1993","49","9","1700","1702","10.1107/S0108270193002690","","","1.54178","CuKα","","","0.035","","","0.045","","","","","4.7","4.7","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001432","10.897","0.001","7.427","0.001","9.516","0.001","90","","112.88","0.01","90","","709.55","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis[(S)-prolinamidato]copper(II) dihydrate","","- C10 H22 Cu N4 O4 -","- C10 H22 Cu N4 O4 -","- C20 H44 Cu2 N8 O8 -","2","1","AL1038","Gasparri Fava, G.; Belicchi Ferrari, M.; Pelosi, G.; De Munari, E.; Corradini, R.; Marchelli, R.; Dossena, A.","Structure of bis[(S)-prolinamidato]copper(II) dihydrate","Acta Crystallographica Section C","1993","49","8","1449","1452","10.1107/S0108270193001179","","","1.54178","CuKα","","","0.043","","","0.048","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001468","10.922","0.003","18.858","0.005","11.701","0.004","90","","104.6","0.03","90","","2332.2","1.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C84 H128 N8 O20 -","4","2","AS1034","Doi, M.; In, Y.; Ikuma, K.; Inoue, M.; Ishida, T.","Structure of Boc-Phe-D-Leu-OMe","Acta Crystallographica Section C","1993","49","8","1528","1530","10.1107/S0108270193002045","","","1.5418","CuKα","","","0.053","","","0.057","","","","","1.505","1.505","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001545","7.0711","0.0004","15.09","0.001","11.1925","0.0006","90","","106.916","0.004","90","","1142.6","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3,5-dinitrobenzoic acid)(benzo-15-crown-5)monohydrate","","- C21 H26 N2 O12 -","- C21 H26 N2 O12 -","- C42 H52 N4 O24 -","2","1","HA1021","Schouten, A.; Kanters, J. A.; Poonia, N. S.","Structure of the benzo-15-crown-5‒3,5-dinitrobenzoic acid‒water (1/1/1) complex","Acta Crystallographica Section C","1993","49","7","1376","1378","10.1107/S010827019201357X","","","0.71073","MoKα","","","0.0332","","","0.0297","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001546","12.462","0.003","8.035","0.003","13.539","0.004","90","","112.89","0.03","90","","1248.9","0.7","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","AL1030","Freer, A. A.; Bunyan, J. M.; Shankland, N.; Sheen, D. B.","Structure of (S)-(+)-ibuprofen","Acta Crystallographica Section C","1993","49","7","1378","1380","10.1107/S0108270193000629","","","0.71069","MoKα","","","0.056","","","0.067","","","","","3.09","3.09","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001549","8.573","0.001","10.628","0.001","6.544","0.001","90","","105.55","0.01","90","","574.42","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cis,anti,cis-8-methoxytricyclo[6.3.0.0^2,7^]undecan-2,3-diol","","- C12 H20 O3 -","- C12 H20 O3 -","- C24 H40 O6 -","2","1","HA1032","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Synthesis and structure of strained polycyclic cyclobutane-containing derivatives","Acta Crystallographica Section C","1993","49","7","1388","1392","10.1107/S0108270193000319","","","1.54056","CuKα~1~","","0.0667","0.0486","","0.1384","0.1219","","","","0.944","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001587","4.691","0.001","14.448","0.002","12.924","0.003","90","","97.63","0.01","90","","868.2","0.3","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N3 O6 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","HL1026","Gulbis, J. M.; Mackay, M. F.; Holan, G.; Marcuccio, S. M.","Structure of a dideoxynucleoside active against the HIV (AIDS) virus","Acta Crystallographica Section C","1993","49","6","1095","1097","10.1107/S0108270193002094","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001591","18.805","0.002","6.318","0.001","9.988","0.001","90","","112.41","0.01","90","","1097.1","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","AB1039","Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.","Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione","Acta Crystallographica Section C","1993","49","6","1104","1107","10.1107/S010827019300071X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001592","18.551","0.002","6.495","0.001","9.448","0.001","90","","96.521","0.009","90","","1131","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","AB1039","Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.","Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione","Acta Crystallographica Section C","1993","49","6","1104","1107","10.1107/S010827019300071X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001624","8.909","0.002","19.847","0.004","7.602","0.002","90","","90.51","0.04","90","","1344.1","0.5","294","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H17 Cl3 Ho N O8 -","- C3 H17 Cl3 Ho N O8 -","- C12 H68 Cl12 Ho4 N4 O32 -","4","2","SH1017","Głowiak, T.; Dao, C. N.","Structure of pentaaqua(L-serine)holmium(III) trichloride","Acta Crystallographica Section C","1993","49","6","1171","1173","10.1107/S0108270192012514","","","0.71069","MoKα","","","0.037","","","0.05","","","","","4.171","4.171","","","","","has coordinates","205896","2020-10-21","18:00:00",""
"2001636","13.771","0.003","7.788","0.002","17.357","0.004","90","","106.39","0.02","90","","1785.9","0.8","178","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H47 N O5 -","- C44 H47 N O5 -","- C88 H94 N2 O10 -","2","1","HA1020","Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.","Structures of the 1:1 and 2:1 adducts of (+)-(S)-[2.2]paracyclophane-4-carboxylic acid and (‒)-ephedrine","Acta Crystallographica Section C","1993","49","6","1192","1195","10.1107/S0108270192013568","","","0.71069","MoKα","","","0.038","","","0.043","","","","","1.5","1.5","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001657","5.95","0.002","8.238","0.001","9.952","0.002","90","","102.82","0.02","90","","475.6","0.2","296","","296","","","","","","","","","4","P 1 21 1","","","","(4S,5S)-4-Methyl-5-phenyl-2-oxazolidinone","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","CR1047","Robinson, P. D.; Hua, D. H.; Good, L. A.; Wang, H.; Meyers, C. Y.","(4S,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","1993","49","6","1238","1240","10.1107/S0108270192013477","","","0.71069","MoKα","","","0.029","","","0.036","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001665","8.294","0.001","10.981","0.003","11.934","0.003","90","","107.04","0.02","90","","1039.2","0.4","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H28 Cl3 Er N2 O9 -","- C10 H18 Cl3 Er N2 O9 -","- C20 H36 Cl6 Er2 N4 O18 -","2","1","MU1025","Ma, A.-Z.; Li, L.-M.; Lin, Y.-H.; Xi, S.-Q.","Structure of an erbium coordination compound with L-proline, {[Er(Pro)~2~(H~2~O)~5~]Cl~3~}~n~","Acta Crystallographica Section C","1993","49","5","865","867","10.1107/S0108270192012113","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001674","11.864","0.003","7.726","0.002","14.832","0.003","90","","102.17","0.02","90","","1329","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Cu N4 O6 -","- C27 H26 Cu N4 O6 -","- C54 H52 Cu2 N8 O12 -","2","1","MU0252","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. II. Structures of L-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate","Acta Crystallographica Section C","1993","49","5","890","893","10.1107/S0108270192000556","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001686","5.322","0.002","10.531","0.003","12.939","0.002","90","","99.2","0.02","90","","715.9","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N4 Se3 -","- C10 H16 N4 Se3 -","- C20 H32 N8 Se6 -","2","1","AB1012","Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.","Structures of 2,3-diethyl-6,7-dihydro-5H-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[cd]indene-1(2H),4(3H)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[cd]pentalene","Acta Crystallographica Section C","1993","49","5","917","921","10.1107/S0108270192011582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001688","5.659","0.002","15.097","0.003","17.138","0.005","90","","96.7","0.3","90","","1454.2","1.2","","","","","","","","","","","","4","P 1 21 1","","","","","","- C28 H33 N9 O10 -","- C28 H33 N9 O10 -","- C56 H66 N18 O20 -","2","1","GR1001","Bhat, B.; Wilson, S. R.; Leonard, N. J.","Structure of a covalently linked cross-section representative of a hydrogen-bonded dA^. ^dT base pair","Acta Crystallographica Section C","1993","49","5","921","924","10.1107/S0108270192012009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2001702","7.204","0.003","7.413","0.004","9.028","0.005","90","","108.67","0.03","90","","456.8","0.4","144","3","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br8 K4 Zn2 -","2","1","AL9484","Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R.","Structure determination of K~2~ZnBr~4~ at 291 and 144 K","Acta Crystallographica Section C","1993","49","5","946","950","10.1107/S0108270192009508","","","1.54056","CuKαradiationforpowderdiffraction","","","0.0493","","","0.0597","","","","","1.318","1.318","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001735","7.492","0.003","7.505","0.005","9.502","0.003","90","","109.02","0.03","90","","505.1","0.4","300","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","1","DU1007","Gourdon, A.","3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine","Acta Crystallographica Section C","1993","49","5","1011","1013","10.1107/S0108270192012460","","","0.71069","MoKα","","","0.051","","","0.043","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001745","9.028","0.001","11.069","0.002","23.465","0.002","90","","102.12","0.01","90","","2292.6","0.5","294","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22.5 H24 Br Cl O6 -","- C22.5 H24 Br Cl O6 -","- C90 H96 Br4 Cl4 O24 -","4","2","HU1024","Clark, G. R.","Structure of a bromine derivative of isostegane","Acta Crystallographica Section C","1993","49","5","1028","1031","10.1107/S0108270192012654","","","0.71069","Mo","","","0.063","","","0.067","","","","","3.06","3.06","","","","","has coordinates","202206","2020-10-21","18:00:00",""
"2001770","10.57","0.006","4.588","0.003","7.935","0.004","90","","126.92","0.04","90","","307.6","0.3","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 K O6 P -","- C2 H4 K O6 P -","- C4 H8 K2 O12 P2 -","2","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001780","10.9534","0.0015","13.274","0.003","11.5283","0.0017","90","","90.074","0.012","90","","1676.2","0.5","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H36 B9 Cl2 Hg P -","- C33 H33 B9 Cl2 Hg P -","- C66 H66 B18 Cl4 Hg2 P2 -","2","1","MU1028","Lewis, Z. G.; Welch, A. J.","Structure of 7,8-Ph~2~-10-endo-PPh~3~Hg-7,8-nido-C~2~B~9~H~9~ methylene chloride solvate","Acta Crystallographica Section C","1993","49","4","715","718","10.1107/S0108270192012149","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001782","8.654","0.002","6.428","0.001","21.032","0.003","90","","95.7","0.2","90","","1164.2","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O3 -","- C25 H43 N O3 -","- C50 H86 N2 O6 -","2","1","AB1023","Palmer, R. A.; Palmer, H. T.; Lisgarten, J. N.; Lancaster, R.","Polymorphism in dethoxyprone, a steroidal anaesthetic. I. Structure of 11α-dimethylamino-2β-ethoxy-3α-hydroxy-5α-pregnan-20-one (dethoxyprone form I)","Acta Crystallographica Section C","1993","49","4","721","723","10.1107/S0108270192009028","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001783","13.4077","0.0003","12.6064","0.0003","19.0523","0.0006","90","","98.392","0.002","90","","3185.79","0.15","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 -","- C11 H16 N2 -","- C132 H192 N24 -","12","6","AL1008","Llamas-Saiz, A. L.; Foces-Foces, C.; Sobrados, I.; Elguero, J.; Meutermans, W.","(4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1H(2H)-indazole (campho[2,3-c]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state","Acta Crystallographica Section C","1993","49","4","724","729","10.1107/S0108270192010187","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001786","6.421","0.003","10.872","0.005","10.564","0.005","90","","91.05","0.02","90","","737.3","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C32 H30 N6 O8 -","2","1","AL1020","Ashkenazi, P.; Kaftory, M.","Structures of Diels‒Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","4","731","735","10.1107/S0108270192012253","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001789","6.9196","0.0005","7.673","0.008","18.554","0.001","90","","92.547","0.006","90","","984.1","1","","","","","","","","","","","","4","P 1 21 1","","","","","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C34 H38 N10 O16 -","2","1","CD0068","Metzger, R. M.; Atwood, J. L.; Lee, W.-J.; Rao, S. M.; Lal, R. B.; Loo, B. H.","Structure of MAP:MNA, the 1:1 adduct between (R)-methyl 2-(2,4-dinitroanilino)propanoate (MAP) and 2-methyl-4-nitroaniline (MNA), a new nonlinear optical crystal","Acta Crystallographica Section C","1993","49","4","738","741","10.1107/S0108270192004530","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001806","12.78","0.001","6.478","0.001","16.832","0.002","90","","93","0.01","90","","1391.6","0.3","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O7 -","- C30 H34 O7 -","- C60 H68 O14 -","2","1","ST1029","Abboud, K. A.; Jiang, S.; Enholm, E. J.","Structure of a coupled carbohydrate and terpene","Acta Crystallographica Section C","1993","49","4","776","778","10.1107/S0108270192010655","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001824","10.003","0.004","4.924","0.001","9.343","0.002","90","","90.88","0.02","90","","460.1","0.2","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H11 N2 O6 P -","- C4 H11 N2 O6 P -","- C8 H22 N4 O12 P2 -","2","1","PA1020","Averbuch-Pouchot, M.-T.","Structures of glycinium phosphite and glycylglycinium phosphite","Acta Crystallographica Section C","1993","49","4","815","818","10.1107/S0108270192010771","","","0.5608","AgKα","","","0.028","","","0.03","","","","","0.231","0.231","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001830","5.648","0.002","26.369","0.008","11.868","0.004","90","","90.19","0.02","90","","1767.5","1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-2-amino-3-hydroxyl-3-(1,2:3,4-di-o-isopropylidène- α-D-galactopyranos-5-yl) propanoate de méthyle","","- C15 H25 N O8 -","- C15 H25 N O8 -","- C60 H100 N4 O32 -","4","2","PA1031","Chiaroni, A.; Riche, C.; El Hadrami, E. M.; Lavergne, J.-P.; Viallefont, P.","Structure du (2S,6'R)-2-amino-2-(1,2:3,4-di-O-isopropylidène-α-D-galactopyranos-6-yl)acétate de méthyle","Acta Crystallographica Section C","1993","49","4","828","830","10.1107/S0108270192011399","","","1.5418","CuKα","","","0.038","","","0.051","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001857","8.897","0.003","8.213","0.002","15.334","0.004","90","","102.69","0.03","90","","1093.1","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Br O7 S -","- C21 H23 Br O7 S -","- C42 H46 Br2 O14 S2 -","2","1","CR1012","Jedrzejas, M. J.; Baker, R. J.; Binkley, R. W.; Towns, R. L. R.; Adair, N.; Andras, M.; Anwari, F.; Chen, Z.; Huff, R.; Liu, X.; Martuch, R. A.; Skladany, M.","Structure of methyl 4-O-benzoyl-6-bromo-3-tosyl-2,6-dideoxy-β-D-arabino-hexopyranoside","Acta Crystallographica Section C","1993","49","3","481","483","10.1107/S0108270192008291","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001865","7.57","0.001","9.4313","0.0007","12.485","0.001","90","","102.21","0.01","90","","871.2","0.15","","","","","","","","","","","","3","P 1 21 1","","","","","","- C21 H28 N2 -","- C21 H28 N2 -","- C42 H56 N4 -","2","1","HU0408","Katrusiak, A.","Structure of 2-phenyl-2-dehydrosparteine","Acta Crystallographica Section C","1993","49","3","497","500","10.1107/S0108270192009338","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001892","8.3925","0.0014","8.0054","0.0014","24.305","0.004","90","","98.518","0.006","90","","1614.9","0.5","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H41 N2 O8 P S2 -","- C31 H23 N2 O8 P S2 -","- C62 H46 N4 O16 P2 S4 -","2","1","ST1007","Berkman, C. E.; Fernandez, E. J.; Thompson, C. M.; Pavkovic, S. F.","Structure of 19-methylstrychninium (S)-{S-[(R)-1,2-di(ethoxycarbonyl)ethyl] O-methyl phosphorodithioate}","Acta Crystallographica Section C","1993","49","3","554","556","10.1107/S0108270192007637","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001919","9.4377","0.001","6.978","0.0011","18.559","0.003","90","","93.24","0.013","90","","1220.3","0.3","122","0.5","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H42 O4 -","- C27 H21 O4 -","- C54 H42 O8 -","2","1","LI1021","Larsen, S.; Hansen, E. T.; Hoffmeyer, L.; Rastrup-Andersen, N.","Structure and absolute configuration of a monohydrate of calcipotriol, (1α,3β,5Z,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol","Acta Crystallographica Section C","1993","49","3","618","621","10.1107/S010827019201031X","","","1.54184","CuKα","","","0.05","","","0.064","","","","","1.56","1.56","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001946","9.901","0.005","12.664","0.01","10.998","0.005","90","","100.06","0.05","90","","1357.8","1.4","","","","","","","","","","","","5","P 1 21 1","","","","","","- C11 H15 Cl N2 O5 -","- C11 H15 Cl N2 O5 -","- C44 H60 Cl4 N8 O20 -","4","2","CD0082","Blanchard, H.; James, M. N. G.; Kumar, R.; Wiebe, L. I.; Knaus, E. E.","Structure of (+)-(5R,6R)-5-chloro-6-methoxy-5,6-dihydro-1-(2',3'-didehydro-2',3'-dideoxy-β-D-glycero-2-enopentofuranosyl)thymine","Acta Crystallographica Section C","1993","49","2","246","250","10.1107/S0108270192003470","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001954","14.95","0.002","9.248","0.001","12.597","0.001","90","","100.98","0.01","90","","1709.7","0.3","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","KA0015","Ribár, B.; Stanković, S.; Mészáros, C.; Miljković, D.; Pejanović, V.; Petrović, J.","Structure of 3-methoxy-6α,17β-dihydroxyestra-1,3,5(10)-trien-7-one oxime","Acta Crystallographica Section C","1993","49","2","270","273","10.1107/S0108270192003007","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001964","9.239","0.004","14.475","0.006","6.404","0.003","90","","91.19","0.05","90","","856.3","0.7","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H28 N O7 -","- C15 H28 N O7 -","- C30 H56 N2 O14 -","2","1","BR1005","Hempel, A.; Camerman, N.; Hamodrakas, S. J.; Ottensmeyer, F. P.; Troganis, A.; Stassinopoulou, C. I.; Camerman, A.","2,2,6,6-Tetramethylpiperidine-1-oxyl-4-yl α-D-glucopyranoside","Acta Crystallographica Section C","1993","49","2","298","300","10.1107/S0108270192006929","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001982","9.752","0.005","9.442","0.006","9.894","0.007","90","","99.24","0.05","90","","899.2","1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C42 H46 N2 O4 -","2","1","GR0191","Hardgrove, Jnr, G. L.; Clark, J. S.; Hanson, R. M.; Thieu, A. Q.","Structure of (S,S)-(E)-3-(2-butenoyl)-2,4-bis(phenylmethyl)oxazolidine","Acta Crystallographica Section C","1993","49","2","336","338","10.1107/S0108270192004761","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002020","8.518","0.001","23.151","0.003","7.112","0.001","90","","111.6","0.2","90","","1304","1.8","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N3 O7 -","- C25 H31 N3 O7 -","- C50 H62 N6 O14 -","2","1","CD1012","Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.","Structure of Z-L-(αMe)Phe-(L-Ala)~2~-OMe monohydrate","Acta Crystallographica Section C","1993","49","2","408","410","10.1107/S0108270192010023","","","0.7107","MoKα","","","0.065","","","0.075","","","","","1.48","1.48","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002027","7.407","0.004","3.625","0.003","9.966","0.003","90","","109.16","0.03","90","","252.8","0.3","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Fe Ta Te3 -","- Fe Ta Te3 -","- Fe2 Ta2 Te6 -","2","1","HE0023","Liu, S.-X.; Cai, G.-L.; Huang, J.-L.","Structure of a new ternary chalcogenide: FeTa(μ~4~-Te)(μ~3~-Te)~2~","Acta Crystallographica Section C","1993","49","1","4","7","10.1107/S010827019200355X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002034","9.998","0.002","10.649","0.001","15.637","0.004","90","","102.03","0.02","90","","1628.3","0.6","","","","","","","","","","","","5","P 1 21 1","","","","","","- C24 H42 Cl6 N4 Sn -","- C25 Cl6 N4 Sn -","- C50 Cl12 N8 Sn2 -","2","1","GE0308","Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.","Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate","Acta Crystallographica Section C","1993","49","1","22","26","10.1107/S0108270192005158","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002055","9.1584","0.0014","6.91","0.003","20.224","0.004","90","","96.241","0.014","90","","1272.3","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B Br O6 -","- C25 H30 B Br O6 -","- C50 H60 B2 Br2 O12 -","2","1","BR1003","Drouin, M.; Michel, A. G.; Guindon, Y.; Ogilvie, W.","Structure of dimethyl (2R,3R)-2-{[(S)-bromo(cyclohexyl)methyl]oxy}-3-[(diphenylboryl)oxy]-1,4-butanedioate","Acta Crystallographica Section C","1993","49","1","75","77","10.1107/S0108270192005973","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002061","11.415","0.005","11.185","0.005","9.075","0.004","90","","96.93","0.03","90","","1150.2","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N Ni S4 -","- C22 H25 N Ni S4 -","- C44 H50 N2 Ni2 S8 -","2","1","HA1008","Anderson, I. H.; Blake, A. J.; Heath, G. A.","(Diisopropyldithiocarbamato-S,S')(1,3-diphenyl-1,3-propanedithionato-S,S')nickel(II)","Acta Crystallographica Section C","1993","49","1","87","89","10.1107/S0108270192005560","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002070","5.269","0.002","19.781","0.006","6.768","0.002","90","","106.46","0.02","90","","676.5","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H12 O5 -","- C17 H12 O5 -","- C34 H24 O10 -","2","1","HL1008","Koh, L. L.; Ng, A. S.","Structures of two flavonoids from Physalis minima, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II)","Acta Crystallographica Section C","1993","49","1","105","107","10.1107/S0108270192005584","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002112","6.41","0.002","15.438","0.002","9.808","0.002","90","","104.06","0.02","90","","941.5","0.4","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O3 Si -","- C19 H27 N O3 Si -","- C38 H54 N2 O6 Si2 -","2","1","ST1017","Marsh, R. E.; Schaefer, W. P.; Kephart, S. E.; Myers, A. G.","Structure of a syn-aldol addition product of benzaldehyde and a prolinol-derived O-silacyclopentyl ketene N,O-acetal","Acta Crystallographica Section C","1993","49","1","185","188","10.1107/S0108270192008825","","","0.71073","MoKα","","","","","","","","","","","1.75","1.75","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002197","7.677","","5.456","","26.01299","","90","","98.4","","90","","1077.9","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Dineodymium dititanate","","- Nd2 O7 Ti2 -","- Nd2 O7 Ti2 -","- Nd16 O56 Ti16 -","8","4","","Scheunemann, K; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Nd2 Ti2 O7","Journal of Inorganic and Nuclear Chemistry","1975","37","","2261","2263","10.1016/0022-1902(75)80723-8","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002284","8.447","","8.816","","5.163","","90","","93.42","","90","","383.8","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Strontium dialuminium oxide","","- Al2 O4 Sr -","- Al2 O4 Sr -","- Al8 O16 Sr4 -","4","2","","Schulze, A R; Mueller-Buschbaum, Hk","Zur Struktur von monoklinem Sr Al2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","475","","205","210","10.1002/zaac.19814750423","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002364","10.488","0.005","8.198","0.006","9.682","0.005","90","","118.66","0.04","90","","730.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Tetrazinc divanadate","","- O9 V2 Zn4 -","- O9 V2 Zn4 -","- O36 V8 Zn16 -","4","2","","Waburg, M; Mueller-Buschbaum, Hk","Ein neues metastabiles Zinkoxovanadat: Zn4 V2 O9","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1986","117","","131","138","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002412","9.569","0.002","9.569","0.002","9.569","0.002","90","","90","0.1","90","","876.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Tristrontium tecto-pentaoxodigallate dichloride","","- Cl2 Ga2 O5 Sr3 -","- Cl2 Ga2 O5 Sr3 -","- Cl8 Ga8 O20 Sr12 -","4","2","","Leib, W; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von Sr3 Ga2 O5 Cl2 und Sr3 Fe1.18 Al0.82 O5 Cl2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1988","119","","157","164","10.1007/BF00809589","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002413","9.55","0.002","9.55","0.002","9.55","0.002","90","","90","0.1","90","","871","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Strontium iron aluminium oxide chloride (3/1.18/0.82/5/2)","","- Al0.82 Cl2 Fe1.18 O5 Sr3 -","- Al0.82 Cl2 Fe1.18 O5 Sr3 -","- Al3.28 Cl8 Fe4.72 O20 Sr12 -","4","2","","Leib, W; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von Sr3 Ga2 O5 Cl2 und Sr3 Fe1.18 Al0.82 O5 Cl2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1988","119","","157","164","10.1007/BF00809589","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002782","8.1174","0.0009","5.9699","0.0009","9.2903","0.0009","90","","113.937","0.008","90","","411.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Dibarium oxovanadium(IV) bis(vanadate)","","- Ba2 O9 V3 -","- Ba2 O9 V3 -","- Ba4 O18 V6 -","2","1","","Mueller-Buschbaum, Hk; Feldmann, J","Kristallstrukturuntersuchung am Barium-Vanadyl-Vanadat: Ba2 (V O) V2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","489","492","","","","","","","0.0872","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002887","11.275","0.001","8.6185","0.0009","12.31","0.0011","90","","105.469","0.009","90","","1152.9","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Di-$-mue-bromidotelluro-$-mue-ditellurido- bis(dibromotelluridodibromorhenium)","","- Br10 Re2 Te6 -","- Br10 Re2 Te6 -","- Br20 Re4 Te12 -","2","1","","Beck, J; Mueller-Buschbaum, K","Synthesis and crystal structure of (Re2 Br4 (Te2) (Te Br)2 (Te Br2)2), a dinuclear complex with (Te2)2-, TeBr-, and Te Br2 ligands","European Journal of Inorganic Chemistry","1999","1999","","839","842","10.1002/(SICI)1099-0682(199905)1999:5<839::AID-EJIC839>3.0.CO;2-E","","","","","","0.0648","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002902","18.0105","0.0012","4.2413","0.0003","30.66","0.002","90","","93.297","0.005","90","","2338.2","0.3","150","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H42 S3 -","- C21 H42 S3 -","- C84 H168 S12 -","4","2","","Veldman, Nora; Spek, Anthony L.; Edema, Jilles J. H.; Kellogg, Richard M.","2,4,6-Trihexyl-1,3,5-trithiane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","88","91","10.1107/s0108270194008115","","","0.71073","MoKα","","","0.0694","","0.1768","0.1286","","","","0.921","1.143","1.143","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002904","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","134","135","10.1107/S0108270194008218","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002906","8.36","0.002","6.33","0.001","14.75","0.003","90","","92.86","0.03","90","","779.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lys.3HIO3","α,ε‒diaminocapronic acid.3HIO~3~","","- C6 H17 I3 N2 O11 -","- C6 H17 I3 N2 O11 -","- C12 H34 I6 N4 O22 -","2","1","AN0540","A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo","Interaction of lysine with iodic acid","Acta Crystallographica Section B","1999","55","2","221","225","10.1107/S0108768198011975","","","0.71073","MoKα","","0.0339","0.0338","","0.0921","0.0918","","","","1.071","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002991","5.289","0.0001","12.6877","0.0001","11.4872","0.0001","90","","95.8136","0.0005","90","","766.887","0.017","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-valine methanol (1:1)","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","1","HA0173","Görbitz, Carl Henrik; Torgersen, Eirin","Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of L-leucyl-L-valine","Acta Crystallographica, Section B: Structural Science","1999","55","1","104","113","10.1107/S0108768198010192","","","0.71073","MoKα","","0.1003","0.0656","","0.179","0.1584","","","","0.985","1.064","1.064","","","","","has coordinates,has disorder,has Fobs","208976","2020-10-21","18:00:00",""
"2002992","11.0112","0.0001","23.5186","0.0001","12.2636","0.0001","90","","90.0121","0.0008","90","","3175.88","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-valine ethanol (1:1)","","- C13 H28 N2 O4 -","- C13 H28 N2 O4 -","- C104 H224 N16 O32 -","8","4","HA0173","Görbitz, Carl Henrik; Torgersen, Eirin","Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of L-leucyl-L-valine","Acta Crystallographica, Section B: Structural Science","1999","55","1","104","113","10.1107/S0108768198010192","","","0.71073","MoKα","","0.1004","0.0645","","0.1441","0.1249","","","","1.072","1.088","1.088","","","","","has coordinates,has Fobs","208976","2020-10-21","18:00:00",""
"2003001","7.796","0.002","7.914","0.002","22.243","0.002","90","","92.12","0.02","90","","1371.4","0.5","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","Di-o-brominebenzoyl-Emycin_F","","","- C33 H24 Br2 O6 -","- C33 H24 Br2 O6 -","- C66 H48 Br4 O12 -","2","1","JZ0006","Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.","Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers","Acta Crystallographica Section B","1999","55","4","607","616","10.1107/S0108768199003948","","","0.71073","MoKα","","0.0552","0.0418","","","","0.0966","","","","","","1.029","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003098","9.8944","0.0002","4.7425","0.0001","12.9045","0.0002","90","","93.374","0.001","90","","604.48","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucine:D-Alanine","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0885","0.0612","","0.1697","0.1548","","","","1.004","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003101","10.012","0.002","4.7227","0.0009","30.335","0.006","90","","98.38","0.03","90","","1419","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C48 H104 N8 O16 -","4","2","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0621","0.0482","","0.1183","0.1109","","","","1.119","1.143","1.143","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003103","5.2528","0.0001","23.9809","0.0006","5.42","0.0001","90","","110.42","0.001","90","","639.84","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucine:D-Valine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0532","0.0458","","0.1114","0.1066","","","","1.14","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003186","8.189","0.003","5.047","0.001","11.305","0.005","90","","96.12","0.02","90","","464.6","0.5","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","AS1117","Puliti, Raffaella; Mattia, Carlo Andrea","N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","336","339","10.1107/s0108270194008577","","","1.54056","CuKα","","","0.03","","","0.033","","","","","","","","","","","has coordinates","218377","2020-10-21","18:00:00",""
"2003189","9.347","0.008","4.772","0.007","12.967","0.005","90","","90.49","0.05","90","","578.3","0.8","23","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N4 O5 -","- C9 H16 N4 O5 -","- C18 H32 N8 O10 -","2","1","","Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T.","N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","289","291","10.1107/S0108270194009443","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003199","5.166","0.002","20.282","0.002","15.513","0.003","90","","96.41","0.03","90","","1615.2","0.5","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","2","","Chan, Simon; Trotter, James","Aversin","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","272","274","10.1107/S0108270194010589","","","1.5418","CuKα","","","0.063","","0.085","0.079","","","","","1.47","1.47","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003250","6.929","0.003","6.725","0.003","10.778","0.005","90","","99.27","0.04","90","","495.7","0.4","235","","","","","","","","","","recrystallization from ethyl acetate","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","CD1064","Sondossi, M.; Lloyd, B. A.; Bariault, D.; Sylvestre, M.; Simard, M.","Microbial Transformation of a Dihydroxybiphenyl","Acta Crystallographica Section C","1995","51","3","491","494","10.1107/S0108270194008590","","","1.54056","CuKα","","","0.046","","","0.053","","","","","2.84","2.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003251","11.186","0.001","15.064","0.003","17.281","0.005","90","","103.9","0.02","90","","2826.7","1.1","296","","","","","","","","","","slow evaporation from CH~2~Cl~2~/iso-octane solution","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","2","CR1102","Schultz, L. W.; Clardy, J.; Lessinger, L.","9,11-Secogorgost-5-en-9-one-3β,11-diol, a Marine Steroid from the Sea Whip Pseudopterogorgia hummelinkii","Acta Crystallographica Section C","1995","51","3","415","419","10.1107/S010827019400452X","","","1.54178","CuKα","","","0.0529","","","0.0674","","","","","1.1313","1.1313","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003262","8.497","0.003","9.902","0.003","21.03","0.005","90","","92.14","0.01","90","","1768.2","0.9","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cu N3 O7 -","- C16 H19 Cu N3 O7.5 -","- C64 H76 Cu4 N12 O30 -","4","2","HU1069","Baggio, R. F.; Calvo, R.; Brondino, C.; Garland, M. T.; Atria, A. M.; Spodine, E.","A Novel Structure of (L-Aspartato)(1,10-phenanthroline)copper(II) Hydrate","Acta Crystallographica Section C","1995","51","3","382","385","10.1107/S0108270194009297","","","0.71073","MoKα","","","0.0322","","","0.0424","","","","","1.12","1.12","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003284","13.179","0.001","12.075","0.001","17.963","0.001","90","","109.1","0.007","90","","2701.2","0.4","296","1","296.2","","","","","","","","isolation","3","P 1 21 1","P 2yb","4","","","","- C62 H52 O24 -","- C62 H52 O24 -","- C124 H104 O48 -","2","1","NA1086","Bryant, F. O.; Cutler, H. G.; Burla, M. C.; Newton, M. G.","Duclauxin Ethyl Acetate Solvate, 2C~29~H~22~O~11~.C~4~H~8~O~2~","Acta Crystallographica Section C","1995","51","3","437","440","10.1107/S010827019400394X","","","1.54178","CuKᾱ","","","0.038","","","0.042","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003292","8.323","0.004","10.569","0.005","17.022","0.01","90","","100.15","0.02","90","","1473.9","1.3","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","Baccatin III derivative","","- C26 H44 O8 Si -","- C26 H44 O8 Si -","- C52 H88 O16 Si2 -","2","1","PA1126","Chiaroni, A.; Guénard, D.; Guéritte-Voegelein, F.; Khuong-Huu, F.; Py, S.; Riche, C.; Wahl, A.","A Baccatin III Derivative","Acta Crystallographica Section C","1995","51","3","465","468","10.1107/S0108270194007341","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003300","8.877","0.002","12.179","0.003","9.734","0.002","90","","106.11","0.02","90","","1011","0.4","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","VJ1006","Bidya Sagar, M.; Ravikumar, K.; Rama Rao, A. V.; Machender Reddy, M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a β-Epoxy Steroid","Acta Crystallographica Section C","1995","51","3","451","454","10.1107/S0108270194008589","","","0.71069","MoKα","","","0.046","","","0.053","","","","","0.952","0.952","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003302","6.6532","0.0006","7.1539","0.0004","20.3786","0.0013","90","","93.473","0.007","90","","968.17","0.12","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","1","AB1170","Hooft, R. W. W.; Kroon, J.","3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one","Acta Crystallographica Section C","1995","51","4","721","723","10.1107/S0108270194008899","","","1.54184","CuKα","","","0.03","","","0.034","","","","","0.18","0.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003304","9.604","0.006","9.994","0.004","16.072","0.005","90","","103.68","0.03","90","","1498.9","1.2","173","1","173","1","","","","","","","Crystals of (I) were grown by slow evaporation of an aqueous acetone solution at room temperature.","3","P 1 21 1","P 2yb","4","3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose","3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside","","- C33 H34 O10 -","- C33 H34 O10 -","- C66 H68 O20 -","2","1","AB1243","Linden, A.; Lee, C. K.","3-O-Benzoyl-4,6;4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribo-trehalose","Acta Crystallographica Section C","1995","51","4","747","751","10.1107/S010827019401440X","","","0.71069","MoKα","","0.0804","0.0416","","0.0347","0.0317","","","","","1.577","1.577","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003338","10.497","0.002","17.505","0.006","9.903","0.003","90","","113.46","0.05","90","","1669.3","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(isopropyldiphenylphosphineoxide)diiodocobalt(II)","","- C30 H34 Co I2 O2 P2 -","- C30 H34 Co I2 O2 P2 -","- C60 H68 Co2 I4 O4 P4 -","2","1","FG1037","Bauer, S. K.; Willis, C. J.; Payne, N. C.","Diiodobis(isopropyldiphenylphosphine oxide-O)cobalt(II)","Acta Crystallographica Section C","1995","51","4","586","588","10.1107/S0108270194010978","","","0.71073","MoKα","","0.0481","0.0354","","0.0965","0.0865","","","","1.064","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003354","10.06","0.002","19.793","0.004","10.251","0.002","90","","118.9","0.1","90","","1787","1.8","20","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C56 H100 Cl4 N4 O16 Ru4 S4 -","2","1","HU1111","Capper, G.; Davies, D. L.; Fawcett, J.; Russell, D. R.","[(η^6^-C~6~H~3~Me~3~)Ru(D-pen)]~2~Cl~2~.4H~2~O","Acta Crystallographica Section C","1995","51","4","578","580","10.1107/S0108270194010218","","","0.7107","MoKα","","","0.0406","","","0.0434","","","","","1.096","1.096","","","","","has coordinates","191022","2020-10-21","18:00:00",""
"2003359","8.8937","0.0006","7.7404","0.0006","9.5873","0.0006","90","","91.528","0.009","90","","659.76","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-Dibromo-3-dibromomethylene-2,2-dimethyl-1-hydroxy-8,9,10,trinorbornane","","- C10 H12 Br4 O -","- C10 H12 Br4 O -","- C20 H24 Br8 O2 -","2","1","KA1095","Kubicki, M.; Dutkiewicz, G.; Antkowiak, W. Z.","7,7-Dibromo-3-dibromomethylene-2,2-dimethylnorbornan-1-ol","Acta Crystallographica Section C","1995","51","4","736","738","10.1107/S0108270194009406","","","1.54178","CuKα","","0.033","0.0329","","0.091","0.0909","","","","1.094","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003361","7.353","0.009","10.805","0.007","9.959","0.011","90","","93.2","0.1","90","","790","1.4","148","2","148","2","","","","","","","slow evaporation from hexane","3","P 1 21 1","P 2yb","4","diosphenol","(Z)-12-hydroxy-14,15-dinorlabda-8(17),11-dien-13-one","","- C18 H28 O2 -","- C18 H28 O2 -","- C36 H56 O4 -","2","1","KH1019","Grant, P. K.; Hanton, L. R.; Wong, G.","(Z)-12-Hydroxy-14,15-dinorlabda-8(17),11-dien-13-one, C~18~H~28~O~2~","Acta Crystallographica Section C","1995","51","4","743","744","10.1107/S0108270194014551","","","0.71069","MoKα","","0.0683","0.0517","","0.1464","0.1357","","","","0.973","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003382","9.386","0.001","27.912","0.003","9.463","0.001","90","","115.27","0.02","90","","2241.9","0.6","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","2","NA1107","Didierjean, C.; Aubry, A.; Zouikri, M.; Boussard, G.; Marraud, M.","Z-AzPro-AzPro-OBzl","Acta Crystallographica Section C","1995","51","4","688","690","10.1107/S0108270194012436","","","1.54056","CuKα","","","0.031","","","0.035","","","","","2.37","2.37","","","","","has coordinates","198394","2020-10-21","18:00:00",""
"2003405","9.71","0.001","7.386","0.001","15.236","0.001","90","","90.67","0.01","90","","1092.6","0.2","193","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N Si3 -","- C21 H27 N Si3 -","- C42 H54 N2 Si6 -","2","1","SE1070","Mitzel, N. W.; Riede, J.; Schier, A.; Schmidbaur, H.","Tris(p-tolylsilyl)amine","Acta Crystallographica Section C","1995","51","4","756","758","10.1107/S0108270194012163","","","0.71073","MoKα","","","0.028","","","0.0304","","","","","0.411","0.411","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003414","9.593","0.003","15.915","0.002","11.427","0.002","90","","113.89","0.013","90","","1595.1","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(R)-1,2-diethoxycarbonylethyl] bis(dimethylglyoximato)(diphenylmethylphosphine)cobalt(III)","","- C29 H40 Co N4 O8 P -","- C29 H40 Co N4 O8 P -","- C58 H80 Co2 N8 O16 P2 -","2","1","AS1134","Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(R)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)","Acta Crystallographica Section C","1995","51","5","828","831","10.1107/S0108270194012564","","","0.71073","MoKα","","0.08","0.044","","0.111","0.098","","","","1.028","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003417","16.3","0.008","6.331","0.002","7.461","0.002","90","","95.31","0.05","90","","766.6","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-diisopropyl(m,p-dimethylphenyl)glyoxylamide","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.061","","","0.062","","","","","9.73","9.73","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003431","12.9","0.01","17.2","0.02","17.9","0.04","90","","99.79","0.06","90","","3914","10","218","","","","","","","","","","natural product","4","P 1 21 1","","","","","","- C38 H63 Na O9 -","- C40 H58 Na O9 -","- C160 H232 Na4 O36 -","4","2","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","0.71073","MoKα","","","0.044","","","0.06","","","","","1.857","1.857","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003490","12.995","0.001","7.161","0.001","16.187","0.001","90","","112.37","0.01","90","","1393","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","NA1127","Argay, G.; Kálmán, A.; Vladimirov, S.; Zivanov-Stakic, D.; Ribár, B.","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","Acta Crystallographica Section C","1995","51","5","958","960","10.1107/S010827019401228X","","","1.5418","CuKα","","0.0348","0.0337","","0.1024","0.0968","","","","1.117","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003505","7.491","0.001","12.188","0.002","15.744","0.003","90","","97.95","0.01","90","","1423.6","0.4","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O7 -","- C31 H44 O7 -","- C62 H88 O14 -","2","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.044","","","0.05","","","","","5.2148","5.2148","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003511","5.978","0.002","4.945","0.002","20.168","0.004","90","","95.8","0.03","90","","593.1","0.3","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C26 H18 Br2 O2 S2 -","2","1","AB1178","He, Y.; Wu, Q.; Su, G.","3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC)","Acta Crystallographica Section C","1995","51","6","1167","1168","10.1107/S0108270194013843","","","0.71069","MoKα","","","0.046","","","0.052","","","","","1.39","1.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003515","8.014","0.002","8.633","0.002","12.6","0.003","90","","90.53","0.03","90","","871.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","11,12-seco-12,13-didehydromultiflorine perchlorate hydrate","","- C15 H25 Cl N2 O6 -","- C15 H25.07 Cl N2 O6 -","- C30 H50.14 Cl2 N4 O12 -","2","1","AB1207","Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W.","11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate","Acta Crystallographica Section C","1995","51","6","1182","1184","10.1107/S0108270194011650","","","1.54178","CuKα","","0.0577","0.036","","0.1741","0.1069","","","","1.076","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003549","7.569","0.001","9.738","0.002","9.503","0.001","90","","96.32","0.01","90","","696.18","0.19","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","[3S,4S,5R-(1β,3β,6α,7α,12aβ)]-hexahydro-1-hydroxy-6,6- dimethyl-3,13a:4,8-diepoxy-3H,6H-dioxolano[4,5-f] pyrimido[6,1-c][1,4]oxazonine-10,12(11H,13H)dione","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C26 H32 N4 O16 -","2","1","FG1041","Groziak, M. P.; Lin, R.; Robinson, P. D.","An Unusual C6-Spiro-Fused Cyclouridine Derivative","Acta Crystallographica Section C","1995","51","6","1204","1207","10.1107/S0108270194012631","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.96","1.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003569","15.919","0.005","10.307","0.009","16.23","0.02","90","","104.93","0.04","90","","2573","4","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H80 P12 Th -","- C32 H80 P12 Th -","- C64 H160 P24 Th2 -","2","1","JZ1000","Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W.","Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)","Acta Crystallographica Section C","1995","51","6","1060","1063","10.1107/S0108270194011790","","","0.71069","MoKα","","","0.0447","","","0.1026","","","","","0.515","0.515","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003578","14.049","0.001","7.874","0.0008","15.017","0.001","90","","115.45","0.01","90","","1499.9","0.2","293","2","293","2","","","","","","","Single crystals of vanillin were grown by gel technique. Details are published elsewhere (Sureshkumar, Sivakumar & Natarajan, 1994).","3","P 1 21 1","P 2yb","4","","3-methoxy-4-hydroxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","LI1126","Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.","Vanillin-I","Acta Crystallographica Section C","1995","51","6","1131","1133","10.1107/S0108270194011923","","","0.71073","MoKα","","0.0426","0.025","","0.0658","0.0603","","","","0.97","1.066","1.066","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2003599","8.017","0.002","11.103","0.003","8.263","0.003","90","","111.53","0.04","90","","684.2","0.4","293","","293","","","","","","","","from chemical synthesis","3","P 1 21 1","P 2yb","4","","2α,3α,7β,13β-diépoxy-trans-himachalane.","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1152","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,13β-Diépoxy-trans-himachalane","Acta Crystallographica Section C","1995","51","6","1171","1173","10.1107/S0108270194014125","","","0.7107","MoKα","","","0.057","","","0.075","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003602","11.623","0.001","20.861","0.002","12.57","0.001","90","","116.47","0.01","90","","2728.3","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside","","- C43 H52 F24 N2 O15 -","- C43 H52 F24 N2 O15 -","- C86 H104 F48 N4 O30 -","2","1","SE1073","Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.","The 2:1 Adduct of an α-L-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K","Acta Crystallographica Section C","1995","51","6","1198","1201","10.1107/S0108270194011157","","","1.54178","CuKα","","0.0489","0.0475","","0.1284","0.1246","","","","1.038","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003624","11.6039","0.0005","31.6071","0.0019","6.2398","0.0002","90","","102.22","0.003","90","","2236.69","0.18","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C104 H142 N2 O8 -","2","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.049","","","0.056","","","","","1.15","1.15","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003628","10.352","0.002","7.119","0.001","10.652","0.002","90","","104.89","0.03","90","","758.6","0.3","130","2","130","2","","","","","","","evaporation from hexane/dichloromethane","5","P 1 21 1","P 2yb","4","","methyl (S)-2-benzenesulfonyloxy-4-bromo-4-methylpentanoate","","- C13 H17 Br O5 S -","- C13 H17 Br O5 S -","- C26 H34 Br2 O10 S2 -","2","1","AB1251","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (S)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","7","1411","1412","10.1107/S0108270195001818","","","0.71073","MoKα","","0.0555","0.04","","0.0898","0.0829","","","","1.05","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003630","6.466","0.003","4.634","0.002","10.755","0.005","90","","94.74","0.04","90","","321.2","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C10 H8 N4 O8 -","2","1","AS1123","Stash, A. I.; Zavodnik, V. E.; Belsky, V. K.","A Z Isomer of 5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1303","1304","10.1107/S0108270194011042","","","0.71069","MoKα","","","0.03","","","0.08","","","","","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003648","5.502","0.001","15.384","0.001","9.918","0.002","90","","93.43","0.02","90","","838","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine","","- C15 H21 N3 O7 -","- C15 H21 N3 O7 -","- C30 H42 N6 O14 -","2","1","CR1159","Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.","2',3'-Dideoxy-3'-C,2'-N-[(3R,5R)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine","Acta Crystallographica Section C","1995","51","7","1462","1464","10.1107/S0108270194014332","","","0.7107","MoKα","","0.0762","0.0369","","0.1311","0.0834","","","","1.05","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003649","15.134","0.002","7.403","0.002","17.27","0.002","90","","105.25","0.01","90","","1866.7","0.6","293","","293","","","","","","","","synthesized by authors","3","P 1 21 1","P 2yb","4","cholesteryl-4-octeneoxybenzoate","cholesteryl-4-octeneoxybenzoate","","- C42 H64 O3 -","- C42 H64 O3 -","- C84 H128 O6 -","2","1","CR1163","Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-(8-Octenyloxy)benzoate","Acta Crystallographica Section C","1995","51","7","1444","1447","10.1107/S010827019500093X","","","0.71073","MoKα","","0.163","0.059","","0.079","0.05","","","","1.492","1.549","1.549","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2003670","5.556","0.002","15.332","0.004","10.427","0.004","90","","90.47","0.02","90","","888","1","296","","","","","","","","","","synthesized at UMIST","5","P 1 21 1","","","","","","- C21 H17 F N2 O3 -","- C21 H17 F N2 O3 -","- C42 H34 F2 N4 O6 -","2","1","","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(Z)-2-(4-Fluorophenyl)-3-(3-nitrophenyl)-5-phenylisoxazolidine: the Major Isomer Formed by 1,3-Dipolar Addition of an Arylnitrone to Styrene","Acta Crystallographica Section C","1995","51","7","1434","1435","10.1107/S0108270194014757","","","0.71069","MoKα","","","0.0617","","","0.0701","","","","","1.649","1.649","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003672","6.361","0.001","6.878","0.001","7.801","0.001","90","","108.47","0.01","90","","323.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-Dideoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-D-erythro-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-O-acetyl-D-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0315","0.031","","0.0885","0.0879","","","","1.071","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003685","14.662","0.003","5.419","0.001","21.475","0.004","90","","101.66","0.03","90","","1671.1","0.6","289","2","289","2","","","","","","","grown from ethanol","4","P 1 21 1","P 2yb","4","","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","","- C15 H19 N3 O7 -","- C15 H19 N3 O7 -","- C60 H76 N12 O28 -","4","2","","Van Meervelt, Luc; Kong Thoo Lin, Paul; Brown, Daniel M.","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","Acta Crystallographica Section C","1995","51","7","1347","1350","10.1107/S0108270195000096","","","1.54184","CuKα","","0.1235","0.0692","","0.1726","0.1468","","","","1.073","1.313","1.313","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2003752","7.609","0.002","7.587","0.002","9.414","0.002","90","","105.24","0.03","90","","524.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Methylimidazolium D-Tartrate","1-Methylimidazolium D-Tartrate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","1","BK1056","Fuller, J.","The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium D-Tartrate","Acta Crystallographica Section C","1995","51","8","1680","1683","10.1107/S0108270195002514","","","0.71073","MoKα","","0.0584","0.0435","","0.1245","0.1095","","","","1.07","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003759","8.684","0.003","12.239","0.004","8.974","0.002","90","","93.91","0.02","90","","951.6","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2S,5R)-2-[(1'R)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C38 H58 N2 O6 S2 -","2","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0481","0.0368","","0.0363","0.0353","","","","","1.754","1.754","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003761","10.609","0.003","10.879","0.003","13.419","0.001","90","","100.14","0.01","90","","1524.6","0.6","173","1","173","1","","","","","","","(I) was prepared as described by Stanchev, Christov, Simova, Mladenova & Linden (1995). Suitable crystals were obtained by recrystallisation from CHCl~3~/hexane.","5","P 1 21 1","P 2yb","4","","(-)-(1S,2S,5R)-1-(N,N-Dimethylsulfamoylmethyl)-2-isopropyl-5-methylcyclohexan- 1-ol","","- C13 H27 N O3 S -","- C13 H27 N O3 S -","- C52 H108 N4 O12 S4 -","4","2","BM1004","Linden, A.; Stanchev, S.","Absolute Configuration of a Substituted Cyclohexanol","Acta Crystallographica Section C","1995","51","8","1694","1696","10.1107/S0108270195002368","","","0.71069","MoKα","","0.0448","0.0335","","0.0318","0.0309","","","","","1.705","1.705","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003767","13.663","0.004","15.342","0.003","23.557","0.005","90","","97.64","0.03","90","","4894","2","298","","","","","","","","","","MeOH evaporation","5","P 1 21 1","P 2yb","4","","","","- C42 H68 Br N5 O12 -","- C42 H68 Br N5 O12 -","- C168 H272 Br4 N20 O48 -","4","2","CR1144","Mayer, S. C.; Carroll, P. J.; Joullié, M. M.","The Cyclic Depsipeptide Backbone of the Didemnins","Acta Crystallographica Section C","1995","51","8","1609","1614","10.1107/S0108270194013405","","","1.54184","CuKα","","","0.065","","","0.077","","","","","2.49","2.49","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2003785","7.214","0.001","10.513","0.001","19.459","0.002","90","","90.81","0.01","90","","1475.7","0.5","293","","","","","","","","","","slow evaporation","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","2","","Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.","Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","8","1607","1609","10.1107/S0108270194012692","","","0.71073","MoKα","","","0.021","","","0.025","","","","","0.85","0.85","","","","","has coordinates","205899","2020-10-21","18:00:00",""
"2003798","5.522","0.005","19.389","0.017","8.208","0.006","90","","92.68","0.07","90","","877.8","1.3","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","","L-(+)-α-Bromobenzeneacetic acid, (-)-Menthyl ester","","- C18 H25 Br O2 -","- C18 H25 Br O2 -","- C36 H50 Br2 O4 -","2","1","KA1107","Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M.","L-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester","Acta Crystallographica Section C","1995","51","8","1634","1636","10.1107/S0108270195001430","","","0.71073","MoKα","","0.0406","0.0292","","0.0401","0.0299","","","","","0.68","0.68","","","","","has coordinates","288531","2023-12-23","23:35:59",""
"2003817","13.627","0.002","7.298","0.002","11.527","0.002","90","","108.16","0.01","90","","1089.3","0.4","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","(1S)-2-[(1R,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C42 H66 Cl2 N4 O4 -","2","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.072","0.0369","","0.0924","0.0831","","","","0.795","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003845","6.169","0.002","6.894","0.002","12.797","0.002","90","","101.98","0.03","90","","532.4","0.3","293","","","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C20 H22 N6 O8 -","2","1","VJ1016","Das, A. K.; Mazumdar, S. K.","3'-Isocyano-2',3'-dideoxyuridine (NCddUrd): a Nucleoside Analogue","Acta Crystallographica Section C","1995","51","8","1652","1654","10.1107/S0108270195000114","","","1.54184","CuKα","","","0.037","","","0.04","","","","","1.161","1.161","","","","","has coordinates","198478","2020-10-21","18:00:00",""
"2003908","7.27","0.001","7.076","0.004","11.227","0.001","90","","100.57","0.01","90","","567.7","0.3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C24 H22 Cl2 N4 O2 -","2","1","JZ1037","Moreau, S.; Metin, J.; Coudert, P.; Couquelet, J.","5-(2-Chlorobenzyl)-6-methyl-3(2H)-pyridazinone","Acta Crystallographica Section C","1995","51","9","1834","1836","10.1107/S0108270195002757","","","0.71069","MoKα","","","0.051","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003916","7.4728","0.0014","7.0341","0.0012","12.356","0.002","90","","92.9","0.02","90","","648.7","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of D-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0316","0.0282","","0.0788","0.0762","","","","1.054","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003917","7.22","0.0013","7.6439","0.0015","12.148","0.003","90","","93.9","0.02","90","","668.9","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of D-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0303","0.0284","","0.0776","0.0756","","","","1.091","1.088","1.088","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003941","8.112","0.002","10.142","0.002","10.033","0.002","90","","74.49","0.03","90","","795.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-Phenylethyl)-3-aza-10-oxatricyclo[5.2.1.0exp1,5]dec-8-ene-4-oxo6-carboxylic methyl ester","","- C18 H19 N O4 -","- C23 H19 -","- C46 H38 -","2","1","PA1167","Pèpe, G.; Zylber, J.; Tubul, A.; Brun, P.","Methyl 4-Oxo-N-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0^1,5^]dec-8-ene-6-carboxylate","Acta Crystallographica Section C","1995","51","9","1915","1917","10.1107/S0108270195002460","","","1.5418","CuKα","","0.0362","0.0362","","0.0362","0.0362","","","","0.52","0.52","0.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003957","8.819","0.001","6.656","0.004","20.006","0.004","90","","93.34","0.01","90","","1172.3","0.8","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C50 H46 N6 O8 S2 -","2","1","VJ1013","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. II. A Peptidyl α-Keto Thiazole Derivative","Acta Crystallographica Section C","1995","51","9","1925","1927","10.1107/S0108270195003908","","","1.5418","CuKα","","","0.194","","","0.075","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003958","10.226","0.001","9.365","0.001","12.073","0.002","90","","95.58","0.01","90","","1150.7","0.3","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H25 N3 O4 S -","- C25 H25 N3 O4 S -","- C50 H50 N6 O8 S2 -","2","1","VJ1014","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. III. A Peptidyl α-Keto Benzothiazole Derivative","Acta Crystallographica Section C","1995","51","9","1927","1929","10.1107/S010827019500391X","","","1.5418","CuKα","","","0.2202","","","0.0735","","","","","1.121","1.121","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003962","11.203","0.002","12.368","0.002","14.849","0.003","90","","99.8","0.2","90","","2027.4","1.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","2","AB1212","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Reddy, M. M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). IV. An α-Epoxy Steroid","Acta Crystallographica Section C","1995","51","10","2102","2105","10.1107/S0108270195004409","","","0.71073","MoKα","","","0.05","","","0.053","","","","","0.992","0.992","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003976","10","0.003","25.705","0.006","7.323","0.002","90","","107.84","0.03","90","","1791.9","0.9","299","2","","","","","","","","","crystallization from CS~2~-ethanol","4","P 1 21 1","P 2yb","4","","","","- C33 H56 P2 S4 -","- C33 H56 P2 S4 -","- C66 H112 P4 S8 -","2","1","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1S,2S)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.047","","","0.048","","","","","0.771","0.771","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003997","8.849","0.002","15.53","0.003","10.422","0.003","90","","108.04","0.02","90","","1361.8","0.6","293","2","293","2","","","","","","","Stenborn & Ludwig (1993b)","6","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato-N,N')(methyl)(triphenylphosphine)rhodium(III)","","- C27 H32 N4 O4 P Rh -","- C27 H32 N4 O4 P Rh -","- C54 H64 N8 O8 P2 Rh2 -","2","1","FG1053","Potočňák, I.; Dunaj-Jurčo, M.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-N,N')(methyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1995","51","10","1999","2001","10.1107/S0108270195004240","","","0.71069","MoKα","","0.0313","0.0202","","0.1229","0.0496","","","","0.981","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004057","9.13","0.007","15.082","0.012","9.506","0.007","90","","100.36","0.03","90","","1287.6","1.7","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(1S,2R,3R,4S)-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1S,2R,3R,4S)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1S,2R,3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.045","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004094","5.682","0.002","7.186","0.006","17.775","0.002","90","","92.75","0.02","90","","724.9","0.7","294.2","","294.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cl N -","- C12 H28 Cl N -","- C24 H56 Cl2 N2 -","2","1","BK1118","Silver, J.; Marsh, P. J.; Frampton, C. S.","n-Dodecylammonium Chloride","Acta Crystallographica Section C","1995","51","11","2432","2434","10.1107/S0108270195006858","","","0.7107","MoKα","","","0.035","","","0.0307","","","","","1.928","1.928","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004096","8.2444","0.0015","10.7401","0.0013","20.049","0.003","90","","95.057","0.014","90","","1768.3","0.5","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisila- bicyclo[3,3,3]undecane","","- C36 H30 As2 O6 Si3 -","- C36 H30 As2 O6 Si3 -","- C72 H60 As4 O12 Si6 -","2","1","BK1128","Ferguson, G.; O'Leary, B.; Spalding, T. R.","An As~2~Si~3~O~6~ Cage Compound, 3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane","Acta Crystallographica Section C","1995","51","11","2312","2315","10.1107/S0108270195006159","","","0.7107","MolybdenumKα","","0.043","0.029","","0.04","0.038","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004128","8.634","0.001","8.863","0.002","11.745","0.001","90","","98.33","0.01","90","","889.3","0.2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C42 H34 Cl2 O8 -","2","1","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.079","","","0.088","","","","","4.6","4.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004132","5.615","0.002","10.0655","0.001","13.0482","0.001","90","","100.13","0.02","90","","726","0.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 S3 -","- C11 H18 N4 S3 -","- C22 H36 N8 S6 -","2","1","HU1123","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","2,3-Diethyl-5,6,7,8-tetrahydro-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[cd]azulene-1(2H),4(3H)-dithione","Acta Crystallographica Section C","1995","51","11","2354","2356","10.1107/S010827019500343X","","","0.71069","MoKα","","","","","","","","","","","0.946","0.946","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004136","5.381","0.001","24.265","0.002","8.988","0.002","90","","90.61","0.01","90","","1173.5","0.4","130","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C40 H52 N20 O16 -","4","2","JZ1044","Schaible, H.-G.; Bats, J. W.; Engels, J. W.","5'-Azido-2',5'-dideoxythymidine","Acta Crystallographica Section C","1995","51","11","2410","2412","10.1107/S0108270195009310","","","1.54184","CuKα","","","0.027","","","0.081","","","","","2.39","2.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004158","4.845","0.001","5.517","0.001","23.033","0.003","90","","93.62","0.01","90","","614.44","0.19","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N O5 P -","- C10 H14 N O5 P -","- C20 H28 N2 O10 P2 -","2","1","MD1002","Chadha, R. K.; Ösapay, G.","(S)-[1-(Benzyloxycarbonylamino)ethyl]phosphonic Acid","Acta Crystallographica Section C","1995","51","11","2340","2342","10.1107/S0108270195004355","","","1.54178","CuKα","","","0.045","","","0.061","","","","","1.68","1.68","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004172","10.427","0.001","7.197","0.001","11.805","0.001","90","","99.755","0.008","90","","873.08","0.17","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H21 N7 -","- C16 H21 N7 -","- C32 H42 N14 -","2","1","OH1073","Saito, H.; Eda, M.; Sugio, S.; Ueda, Y.","Chiral N-(6-Amino-3-pyridyl)-N'-bicycloalkyl-N''-cyanoguanidine Derivative: a Novel Potassium-Channel Opener","Acta Crystallographica Section C","1995","51","11","2331","2333","10.1107/S010827019500031X","","","1.5418","CuKα","","","0.045","","","0.071","","","","","1.45","1.45","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004176","7.181","0.002","8.485","0.003","11.446","0.003","90","","103.11","0.02","90","","679.2","0.4","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Br N2 O -","- C13 H17 Br N2 O -","- C26 H34 Br2 N4 O2 -","2","1","PA1181","Belin, C.; Chauvet, A.; Leloup, J. M.; Ribet, J. P.; Maurel, J. L.","2-[2-(2-Ethyl-2,3-dihydrobenzofuranyl)]-2-imidazoline Hydrobromide","Acta Crystallographica Section C","1995","51","11","2439","2441","10.1107/S0108270195006706","","","0.7107","MoKα","","","0.0391","","","0.0494","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004185","13.719","0.002","7.726","0.001","3.875","0.001","90","","95.5","0.02","90","","408.83","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","sym-Tricyanobenzene","1,3,5-Tricyanobenzene","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","SE1078","Reddy, D. S.; Panneerselvam, K.; Desiraju, G. R.; Carrell, H. L.; Carrell, C. J.","1,3,5-Tricyanobenzene","Acta Crystallographica Section C","1995","51","11","2352","2354","10.1107/S0108270195004483","","","0.7107","MoKα","","0.052","0.0428","","0.1328","0.1149","","","","0.628","0.611","0.611","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004193","7.346","0.001","5.87","0.002","15.959","0.003","90","","99.64","0.01","90","","678.5","0.3","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 F O3 S -","- C13 H17 F O3 S -","- C26 H34 F2 O6 S2 -","2","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","trans-2-Fluorocyclohexyl p-Toluenesulfonate and trans-2-Fluorocycloheptyl p-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1.1","1.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004205","13.464","0.001","6.225","0.001","13.476","0.001","90","","118.52","","90","","992.41","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-D-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.057","","","0.034","","","","","1.653","1.653","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004206","13.397","0.001","6.171","0.001","13.331","0.001","90","","118.44","0.01","90","","969.1","0.2","107","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-D-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.033","","","0.032","","","","","1.828","1.828","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004273","8.363","0.001","10.453","0.001","12.27","0.001","90","","94.91","0.01","90","","1068.69","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.034","","","0.037","","","","","1.42","1.42","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004274","8.712","0.001","12.848","0.002","17.971","0.002","90","","90.39","0.01","90","","2011.5","0.4","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O4 -","- C19 H31 N O4 -","- C76 H124 N4 O16 -","4","2","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.051","","","0.053","","","","","1.402","1.402","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004276","8.039","0.001","11.097","0.001","8.498","0.001","90","","98.92","0.01","90","","748.93","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.027","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004277","8.512","0.001","9.375","0.001","10.607","0.001","90","","105.49","0.01","90","","815.69","0.16","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.046","","","0.042","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004304","9.32","0.001","11.251","0.001","10.671","0.001","90","","109.266","0.008","90","","1056.29","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-bromoacetilmutilin","S-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-bromoacetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H33 Br O4 -","- C22 H33 Br O4 -","- C44 H66 Br2 O8 -","2","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","","0.0444","","0.0912","0.0776","","","","","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004313","9.625","0.002","5.805","0.001","12.665","0.003","90","","109.63","0.05","90","","666.5","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","PT1011","Seetharaman, J.; Rajan, S. S.","8,9-Dimethoxybenzo[b]carbazole","Acta Crystallographica Section C","1995","51","12","2568","2570","10.1107/S0108270195006627","","","1.54184","CuKα","","","0.056","","","0.063","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004328","5.558","0.002","8.776","0.003","25.153","0.007","90","","95.46","0.02","90","","1221.3","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O6 -","- C25 H28 N4 O6 -","- C50 H56 N8 O12 -","2","1","VS1017","Mishnev, A. F.; Kemme, A. A.; Ancans, J. J.","N^{α^}-tert-Butoxycarbonyl-N^{τ^}-benzylhistidine p-Nitrobenzyl Ester","Acta Crystallographica Section C","1995","51","12","2601","2603","10.1107/S0108270195006834","","","0.71073","MoKα","","","0.049","","","0.049","","","","","0.988","0.988","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004332","9.929","0.002","8.75","0.002","11.23","0.002","90","","107.21","0.02","90","","932","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4'S)-2-(Benzyl-oxazolidine-2'-one-3'carbonyl)-3-phenylacrylic acid methyl ester","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C42 H38 N2 O10 -","2","1","AB1277","Pohl, E.; Schünke, C.; Tietze, L. F.","(2E,4'S)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","1","246","248","10.1107/S0108270195010730","","","0.71073","MoKα","","0.0298","0.0287","","0.0704","0.0693","","","","1.058","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004341","7.8019","0.001","15.889","0.002","10.202","0.002","90","","96.24","0.02","90","","1257.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6-methoxy- pyridine","","- C21 H26 N2 O12 -","- C21 H26 N2 O12 -","- C42 H52 N4 O24 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0747","0.0417","","0.1028","0.0932","","","","1.009","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004342","7.8583","0.0009","15.842","0.002","10.368","0.002","90","","94.047","0.014","90","","1287.5","0.3","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6- methylthiopyridine","","- C21 H26 N2 O11 S -","- C21 H26 N2 O11 S -","- C42 H52 N4 O22 S2 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0786","0.0459","","0.1131","0.1032","","","","0.993","1.161","1.161","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004354","6.5104","0.0018","12.812","0.003","13.48","0.002","90","","98.09","0.02","90","","1113.2","0.4","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","4-acetoxy-3(2'3'-epoxy-2'-methylbutyroyloxy)cuauhtemone","Rel-1S,2R,4aS,2'S,3'S-1-acetoxy-2-(2',3'-epoxy-2'- methylbutyroyloxy)-7-isopropylidene-1,4a-dimethyl-6-decalone","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","BK1143","Ahmed, A. A.; Ali, B. A.; Krawiec, M.; Watson, W. H.","5-O-Acetylcuauhtemonyl 6-O-2',3'-Epoxy-2'-methylbutyrate","Acta Crystallographica Section C","1996","52","1","235","237","10.1107/S0108270195013424","","","1.54178","CuKα","","","0.0666","","","0.0631","","","","","3.21","3.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004396","10.26","0.007","10.819","0.005","16.266","0.009","90","","106.07","0.07","90","","1735","1.8","295","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","2","KA1119","Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H.","(S)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~","Acta Crystallographica Section C","1996","52","1","199","201","10.1107/S010827019500905X","","","0.71069","MoKα","","","0.058","","","0.06","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004416","9.812","0.009","5.038","0.003","7.778","0.007","90","","111.95","0.09","90","","356.6","0.6","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","disodium D-3-phosphoglycerate","","- C3 H5 Na2 O7 P -","- C3 H5 Na2 O7 P -","- C6 H10 Na4 O14 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium D-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) D-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0235","0.0205","","0.0569","0.055","","","","1.077","1.067","1.067","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004417","12.427","0.005","6.556","0.003","13.085","0.005","90","","94.64","0.06","90","","1062.6","0.8","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(cyclohexylammonium) D-3-phosphoglycerate dihydrate","","- C15 H37 N2 O9 P -","- C15 H37 N2 O9 P -","- C30 H74 N4 O18 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium D-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) D-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0494","0.0295","","0.0764","0.0699","","","","","1.094","1.094","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004423","7.524","0.002","14.819","0.003","11.763","0.002","90","","107.26","0.03","90","","1252.5","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 21-acetoxy-11β-hydroxy-1,4-pregnadiene-(22S)-16α,17α-orthoacetate","","- C26 H34 O8 -","- C26 H34 O8 -","- C52 H68 O16 -","2","1","NA1177","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","(22S)-21-Acetoxy-11β-hydroxy-16α,17α-methylorthoacetoxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section C","1996","52","1","212","215","10.1107/S0108270195009589","","","1.54178","CuKα","","0.0514","0.0475","","0.1355","0.132","","","","1.052","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004426","6.798","0.004","13.675","0.008","9.722","0.007","90","","99.72","0.04","90","","890.8","1","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","PA1165","Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D.","N-Benzyl-3,4-diphenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","1","201","203","10.1107/S0108270195004598","","","1.54184","CuKα","","","0.068","","","0.078","","","","","1.448","1.448","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004430","7.15","0.001","12.214","0.002","10.944","0.001","90","","101.2","0.01","90","","937.5","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 F3 N O -","- C22 H22 F3 N O -","- C44 H44 F6 N2 O2 -","2","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two cis Ring-Fused exo N-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.059","","","0.061","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004435","7.275","0.002","8.945","0.002","13.486","0.002","90","","97.148","0.015","90","","870.8","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:5,6-di-O-isopropylidene-3-O-methacryloyl-a-D-glucofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-O-isopropylidene-6-O-methacryloyl-α-D-galactopyranose and 1,2:5,6-Di-O-isopropylidene-3-O-methacryloyl-α-D-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0414","0.0364","","0.1043","0.0949","","","","1.071","1.022","1.022","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004456","14.452","0.003","13.089","0.003","17.558","0.003","90","","96.01","0.03","90","","3303.1","1.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","4","AB1224","Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S.","trans-(3aR)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-a]quinoline-4,4(5H)-dicarbonitrile: Four Independent Molecules in the Unit Cell","Acta Crystallographica Section C","1996","52","2","458","460","10.1107/S0108270195011863","","","0.71073","MoKα","","","0.052","","","0.061","","","","","2.14","2.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004462","12.748","0.002","20.265","0.003","8.562","0.002","90","","90.38","0.01","90","","2211.8","0.7","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H48 N10 Na4 O31 P4 -","- C20 H48 N10 Na4 O31 P4 -","- C40 H96 N20 Na8 O62 P8 -","2","1","AS1187","Watanabe, D.; Ishikawa, M.; Yamasaki, M.; Ozaki, M.; Katayama, T.; Nakajima, H.","Tetrasodium P^1^,P^4^-Bis(5'-adenosyl)tetraphosphate Dodecahydrate","Acta Crystallographica Section C","1996","52","2","338","340","10.1107/S0108270195010419","","","1.54184","CuKα","","","0.036","","","0.054","","","","","1.28","1.28","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004466","7.686","0.003","7.242","0.001","9.924","0.001","90","","98.31","0.02","90","","546.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-bromo-5-(α-D-2-deoxyribofuranosyl)pyridine","","- C10 H12 Br N O3 -","- C10 H12 Br N O3 -","- C20 H24 Br2 N2 O6 -","2","1","AS1213","Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B.","The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-D-ribofuranosyl)pyridine","Acta Crystallographica Section C","1996","52","2","407","409","10.1107/S0108270195013060","","","0.7107","MoKα","","0.0446","0.0434","","0.1139","0.1132","","","","0.909","0.932","0.932","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004485","10.2784","0.0014","10.5411","0.0014","17.794","0.003","90","","101.332","0.011","90","","1890.3","0.5","294","1","294","1","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris(4-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","2","CF1052","Ferguson, G.; Glidewell, C.; Patterson, I. L. J.","Tris(4-methoxyphenyl)methanol","Acta Crystallographica Section C","1996","52","2","420","423","10.1107/S0108270195013990","","","0.7107","MoKα","","0.0869","0.0407","","0.0979","0.0872","","","","0.927","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004499","9.506","0.001","4.725","0.001","19.166","0.008","90","","91.79","0.01","90","","860.4","0.4","296","2","296","","","","","","","","","5","P 1 21 1","P 2yb","4","iodoindomethacin","1-(4-iodobenzoyl)-5-methoxy-2-methylindole-3-acetic acid","","- C19 H16 I N O4 -","- C19 H16 I N O4 -","- C38 H32 I2 N2 O8 -","2","1","FG1089","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic Acid, an Iodinated Indomethacin Analog","Acta Crystallographica Section C","1996","52","2","455","457","10.1107/S0108270195010468","","","0.71073","MoKα","","0.0482","0.0335","","0.0813","0.0786","","","","1.003","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004531","8.467","0.001","5.526","0.001","35.792","0.007","90","","90.29","0.01","90","","1674.6","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-(1-methylheptyloxycarbonyl)phenyl 4-heptyloxytolane-4'-carboxylate","","- C37 H44 O5 -","- C37 H44 O5 -","- C74 H88 O10 -","2","1","PA1193","Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T.","A Chiral Mesogenic Compound","Acta Crystallographica Section C","1996","52","2","441","444","10.1107/S0108270195008584","","","1.54178","CopperKα","","","0.064","","","0.074","","","","","","","","","","","has coordinates","211413","2020-10-21","18:00:00",""
"2004532","11.6395","0.0009","5.9814","0.0006","13.6907","0.0009","90","","94.462","0.014","90","","950.26","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylaminium (S)-2-(6-methoxy-2-naphthyl)propionate","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","PA1198","Dupont, L.; Pirotte, B.; De Tullio, P.; Delarge, J.","Absolute Configuration of (R)-1-Phenylethylammonium (S)-2-(6-Methoxy-2-naphthyl)propionate","Acta Crystallographica Section C","1996","52","2","393","395","10.1107/S0108270195011954","","","1.5418","CuKα","","0.0564","0.0376","","0.0946","0.0879","","","","0.944","1.056","1.056","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004537","4.896","0.002","6.55","0.003","9.737","0.004","90","","90.8","0.04","90","","312.2","0.2","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C10 H16 N4 O6 -","2","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo(glycyl-L-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.0462","0.03","","0.0877","0.0798","","","","1.093","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004559","7.381","0.001","32.096","0.002","7.884","0.001","90","","94.94","0.11","90","","1860.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","","","heroin","7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C84 H92 N4 O20 -","4","2","AB1311","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","A Diacetylmorphine Polymorph","Acta Crystallographica Section C","1996","52","3","698","700","10.1107/S0108270195013503","","","1.54178","CuKα","","0.0595","0.0481","","0.1384","0.1262","","","","1.006","1.011","1.011","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004568","7.055","0.003","19.118","0.005","15.568","0.005","90","","98.32","0.04","90","","2077.7","1.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H50 N6 O8 -","- C44 H50 N6 O8 -","- C88 H100 N12 O16 -","2","1","AS1202","Miyake, H.; Yamashita, T.; Hirotsu, K.; Kojima, Y.","A Cyclic Hexa-Pseudopeptide Constructed from N,N'-Ethylene-Bridged (S)-Phenylalanyl-(S)-Phenylalanine and Glycine","Acta Crystallographica Section C","1996","52","3","681","684","10.1107/S0108270195011905","","","0.7107","MoKα","","","0.047","","","0.059","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004574","32.686","0.004","4.094","0.005","10.257","0.007","90","","95.08","0.03","90","","1367.2","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C31 H35 N O5 -","- C31 H35 N O5 -","- C62 H70 N2 O10 -","2","1","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-n-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.1154","0.0692","","0.872","0.1937","","","","1.052","1.014","1.014","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004580","6.879","0.002","8.215","0.002","11.961","0.002","90","","93.3","0.2","90","","674.8","0.3","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 B N4 O5 -","- C10 H17 B N4 O5 -","- C20 H34 B2 N8 O10 -","2","1","BK1157","Singh, P.; Zottola, M.; Huang, S.; Shaw, B. R.; Pedersen, L. G.","2'-Deoxycytidine-N(3)-cyanoborane Monohydrate","Acta Crystallographica Section C","1996","52","3","693","696","10.1107/S0108270195013412","","","0.71073","MoKα","","","0.0456","","","0.0511","","","","","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004610","8.215","0.002","7.105","0.003","9.512","0.002","90","","94.54","0.01","90","","553.5","0.3","294.2","","294.2","","","","","","","","","5","P 1 21 1","","","","","","- C7 H13 Cl2 N3 O2 -","- C10.5 H19.5 Cl3 N4.5 O3 -","- C21 H39 Cl6 N9 O6 -","2","1","HA1149","Vilchiz, V. H.; Norman, R. E.; Chang, S.-C.","L-Histidine Methyl Ester Dihydrochloride","Acta Crystallographica Section C","1996","52","3","696","698","10.1107/S0108270195013308","","","0.7107","MoKα","","","0.0327","","","0.0344","","","","","1.872","1.872","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004617","4.972","0.001","9.379","0.002","11.326","0.002","90","","92.18","0.01","90","","527.78","0.18","100","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","1","HU1142","Marfurt, J.; Stulz, E.; Trafelet, H. U.; Zingg, A.; Leumann, C.; Hazenkamp, M.; Judd, R.; Schenker, S.; Strouse, G.; Ward, T. R.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","7-(2'-Deoxy-α-D-ribofuranosyl)hypoxanthine","Acta Crystallographica Section C","1996","52","3","713","716","10.1107/S0108270195012662","","","0.71069","MoKα","","","0.0268","","","0.0357","","","","","1.2618","1.2618","","","","","has coordinates,has Fobs","205898","2020-10-21","18:00:00",""
"2004619","7.489","0.001","27.829","0.006","8.257","0.002","90","","102.05","0.03","90","","1682.9","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","3^1^,3^2^-didehydrorhodochlorin-15-acetic acid trimethylester","(2S,3S)-8-ethenyl-13-ethyl-2,3-dihydro-18-(methoxycarbonyl)-20- (methoxycarbonylmethyl)-3,7,12,17-tetramethylporphyrin-2- propionic acid methyl ester","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C74 H84 N8 O12 -","2","1","JZ1072","Pajunen, A.; Stapelbroek-Möllmann, M. E.; Hynninen, P. H.","3^1^,3^2^-Didehydrorhodochlorin-15-acetic Acid Trimethyl Ester","Acta Crystallographica Section C","1996","52","3","743","746","10.1107/S0108270195012169","","","0.71073","MoKα","","0.1488","0.0819","","0.2474","0.1906","","","","0.939","1.111","1.111","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004690","9.72","0.004","7.657","0.002","14.708","0.007","90","","103.63","0.04","90","","1063.8","0.7","298","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H38 O4 -","- C22 H38 O4 -","- C44 H76 O8 -","2","1","BK1162","Zhou, L.; Timmermann, B. N.; Grittini, C.; Bruck, M. A.; Enemark, J. H.","Tarapacol 15-Acetate, a New Diterpenoid from Grindelia tarapacana Phil.","Acta Crystallographica Section C","1996","52","4","1042","1044","10.1107/S0108270195013473","","","0.71073","MoKα","","","0.06","","","0.067","","","","","1.92","1.92","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004706","8.006","0.001","12.097","0.002","8.794","0.001","90","","101.12","0.01","90","","835.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-acetoxymethyl-2-acetyl-1-methyl- 1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","CF1035","Maurin, J. K.; Czarnocki, Z.; Paluchowska, B.","(S)-1-Acetoxymethyl-2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline","Acta Crystallographica Section C","1996","52","4","953","955","10.1107/S0108270195014491","","","1.54178","CuKα","","0.0446","0.0355","","0.1024","0.0967","","","","1.033","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004712","7.7051","0.0009","8.061","0.0008","20.419","0.002","90","","93.338","0.009","90","","1266.1","0.2","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 I O3 -","- C13 H11 I O3 -","- C52 H44 I4 O12 -","4","2","CR1135","Prince, P.; Fronczek, F. R.; Gandour, R. D.","1-Iodo-2-methoxy-7-naphthyl Acetate","Acta Crystallographica Section C","1996","52","4","944","947","10.1107/S0108270195010432","","","0.71073","MoKα","","","0.0417","","","0.0485","","","","","2.493","2.493","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004721","8.411","0.002","14.454","0.003","15.8","0.003","90","","91.32","0.03","90","","1920.3","0.7","119","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C40 H74 Cl10 Fe6 O16 P8 Si4 -","2","1","FG1051","Simons, R. S.; Tessier, C. A.","[Fe~2~(CO)~4~(PMe~3~)~4~(μ-H)(μ-SiCl~2~)][Fe(CO)~4~(SiCl~3~)]","Acta Crystallographica Section C","1996","52","4","840","842","10.1107/S0108270195013825","","","0.71073","MoKα","","","0.0398","","","0.0432","","","","","1.03","1.03","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004768","6.097","0.007","6.804","0.005","16.92","0.02","90","","97.66","0.06","90","","695.6","1.3","295","3","295","3","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R) 3-Amino-1-(1'-methyloxycarbonyl-2-methyl-prop-1'-enyl)-4-oxoazetidine-2- sulfonic Acid Monohydrate","","- C9 H16 N2 O7 S -","- C9 H16 N2 O7 S -","- C18 H32 N4 O14 S2 -","2","1","KA1146","Mandic, Z.; Kiralj, R.; Kojic-Prodic, B.; Kovacevic, M.","(2R,3R)-3-Ammonio-1-(1-methoxycarbonyl-2-methyl-1-propenyl)-4-oxoazetidine-2-sulfonate Monohydrate: a New Chiral β-Lactam Synthon","Acta Crystallographica Section C","1996","52","4","988","991","10.1107/S0108270195014077","","","0.71073","MoKα","","","0.0408","","","0.0431","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004779","10.049","0.002","7.531","0.003","12.298","0.001","90","","98.89","0.01","90","","919.5","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-Diammine-bis(pyrazole)platinum(II) nitrate pyrazole","","- C9 H18 N10 O6 Pt -","- C9 H18 N10 O6 Pt -","- C18 H36 N20 O12 Pt2 -","2","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of cis-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0383","","","0.0248","","","","","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004782","11.494","0.001","6.263","0.001","12.479","0.001","90","","111.01","0.01","90","","838.6","0.18","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","MU1207","Vencato, I.; Neves, A.; Ceccato, A. S.; Horn, Jnr, A.","N,N-Bis(2-hydroxybenzyl)-N-(2-pyridylmethyl)amine, H~2~BBPA","Acta Crystallographica Section C","1996","52","4","949","951","10.1107/S0108270195014739","","","0.71073","MoKα","","0.129","0.073","","","0.074","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004828","12.083","0.003","12.267","0.003","9.967","0.001","90","","89.98","0.02","90","","1477.3","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1,2-diallyoxycarbonylethyl][bis(dimethylglyoximato)] [(R)-1-phenylethylamine]cobalt(III)","","- C26 H38 Co N5 O8 -","- C26 H38 Co N5 O8 -","- C52 H76 Co2 N10 O16 -","2","1","AS1195","Sato, H.; Sakai, Y.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(R)-1,2-Bis(allyloxycarbonyl)ethyl]bis(dimethylglyoximato-N,N')[(R)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section C","1996","52","5","1086","1089","10.1107/S0108270195014399","","","0.71073","MoKα","","0.045","0.037","","0.102","0.097","","","","1.043","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004880","8.539","0.002","5.229","0.006","10.268","0.003","90","","97.2","0.02","90","","454.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl) 1-(R),2-(R),4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","FG1140","Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A.","First Example of a Crystalline Urazole Nucleoside: (1R,2R)-Urazole-α-D-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","5","1215","1218","10.1107/S0108270195015873","","","0.71069","MoKα","","","0.027","","","0.029","","","","","1.23","1.23","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004929","9.734","0.001","17.075","0.001","9.764","0.001","90","","96.4","0.01","90","","1612.7","0.3","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)-3-methyl-3H-benz[f]indolyl-3-hydroperoxide","","- C16 H19 N O2 Si -","- C16 H19 N O2 Si -","- C64 H76 N4 O8 Si4 -","4","2","TA1061","Morales, G. A.; Fronczek, F. R.","A Kryptoracemic Hydroperoxide","Acta Crystallographica Section C","1996","52","5","1266","1268","10.1107/S010827019501537X","","","1.54184","CuKα","","","0.041","","","0.048","","","","","2.146","2.146","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2004947","14.498","0.005","9.263","0.003","14.703","0.004","90","","103.16","0.02","90","","1922.7","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","DADLE HCl","[D-Ala^2^,D-Leu^5^]-enkephalin hydrochloride","","- C33 H48 Cl N5 O8 -","- C33 H47 Cl N5 O8 -","- C66 H94 Cl2 N10 O16 -","2","1","BK1199","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","[ D-Ala^2^, D-Leu^5^]-Enkephalin Hydrochloride","Acta Crystallographica Section C","1996","52","6","1583","1585","10.1107/S0108270196000534","","","1.54178","CuKα","","0.1279","0.0811","","0.2138","0.1824","","","","1.094","1.236","1.236","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004961","17.797","0.003","10.2594","0.0006","7.4438","0.0005","90","","98.44","0.01","90","","1344.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrophenyl-α-D-mannopyranoside hemihydrate","","- C24 H32 N2 O17 -","- C24 H32 N2 O17 -","- C48 H64 N4 O34 -","2","1","CF1032","Fernandez-Castaño, C.; Foces-Foces, C.","p-Nitrophenyl α-D-Mannopyranoside Hemihydrate","Acta Crystallographica Section C","1996","52","6","1586","1588","10.1107/S0108270196000728","","","1.5418","CuKα","","0.069","0.069","","0.069","0.069","","","","1.017","1.017","1.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004966","6.884","0.001","8.809","0.002","12.17","0.002","90","","91.99","0.03","90","","737.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6R,9S)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","CF1053","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Lactone Derived from an Amino Acid with a Cyclohexyl Skeleton: (1S,6R,9S)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","Acta Crystallographica Section C","1996","52","6","1456","1458","10.1107/S0108270195016581","","","0.71073","MoKα","","0.0637","0.0396","","0.133","0.0908","","","","1.039","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004996","6.7773","0.001","4.7222","0.001","19.935","0.004","90","","98.22","0.02","90","","631.4","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-phthalimidoperpentanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-pentaneperoxoic acid","","- C13 H13 N O5 -","- C13 H12 N O5 -","- C26 H24 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1621","0.0611","","0.202","0.1526","","","","1.014","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004998","9.681","0.005","5.301","0.003","13.956","0.006","90","","96.16","0.04","90","","712.1","0.6","153","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-isoleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","HA1156","Görbitz, Carl Henrik; Dalhus, Bjørn","L-Isoleucine, Redetermination at 120 K","Acta Crystallographica Section C","1996","52","6","1464","1466","10.1107/S0108270195016386","","","0.71069","MoKα","","0.0717","0.0524","","0.1316","0.1223","","","","1.009","1.065","1.065","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2005029","21.9","0.007","6.368","0.002","8.939","0.002","90","","93.51","0.02","90","","1244.3","0.6","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O3 -","- C28 H40 O3 -","- C56 H80 O6 -","2","1","KH1087","Honda, T.; Fujii, I.; Hirayama, N.; Ishikawa, D.; Kawagishi, H.; Song, K.-S.; Yoo, I.-D.","(14α,22E)-14-Hydroxyergosta-4,7,22-triene-3,6-dione, C~28~H~40~O~3~","Acta Crystallographica Section C","1996","52","6","1550","1552","10.1107/S0108270196000030","","","1.54184","CuKα","","","0.039","","","0.047","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005043","12.565","0.008","5.692","0.003","10.584","0.005","90","","102.66","0.05","90","","738.6","0.7","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-O-Benzyl-β-L-arabinopyranose, 1-O-Benzyl-3,4-O-isopropylidene-β-L-arabinopyranose and 1-O-Benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0885","0.0373","","0.0971","0.0796","","","","1.03","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005044","8.106","0.004","11.353","0.006","11.546","0.006","90","","106.83","0.04","90","","1017","0.9","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-O-Benzyl-β-L-arabinopyranose, 1-O-Benzyl-3,4-O-isopropylidene-β-L-arabinopyranose and 1-O-Benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0408","0.0352","","0.1086","0.1059","","","","1.085","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005045","8.738","0.002","9.998","0.002","15.307","0.003","90","","91.02","0.03","90","","1337","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S~1~,S~2~,R~4~,S~S~)-Benzyl 3,3-diethoxycarbonyl-2-(p-tolylsulfinyl)- bicyclo[2.2.1]hept-5-ene-2-carboxylate","","- C28 H30 O7 S -","- C28 H30 O7 S -","- C56 H60 O14 S2 -","2","1","NS1006","Alonso, I.; López-Solera, I.; Raithby, P. R.","The Diels‒Alder Adduct of an Enantiopure Sulfinyl Trialkoxycarbonyl Ethene and Cyclopentadiene","Acta Crystallographica Section C","1996","52","6","1548","1550","10.1107/S0108270196000315","","","1.54178","CuKα","","0.0604","0.0505","","0.1391","0.129","","","","1.04","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005053","6.4262","0.001","9.1322","0.001","9.3627","0.001","90","","108.85","0.01","90","","519.98","0.12","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","1","PT1032","Aakeröy, C. B.; Bahra, G. S.; Nieuwenhuyzen, M.","Piperazinium L-Tartrate","Acta Crystallographica Section C","1996","52","6","1471","1473","10.1107/S0108270195016374","","","0.71073","MoKα","","","0.0248","","","0.0658","","","","","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005056","11.653","0.002","12.045","0.001","12.594","0.002","90","","105.156","0.008","90","","1706.2","0.4","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H23 Co N2 O7 S2 -","- C11 H23 Co N2 O7 S2 -","- C44 H92 Co4 N8 O28 S8 -","4","2","PT1040","Yonemura, T.; Yasui, T.; Okamoto, K.-I.; Hidaka, J.","trans(S)-(S-Methyl-D-penicillaminato)(D-penicillaminesulfinato)cobalt(III) Monohydrate","Acta Crystallographica Section C","1996","52","6","1390","1392","10.1107/S0108270195015605","","","0.71073","MoKα","","","0.071","","","0.084","","","","","2.39","2.39","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005103","7.241","0.002","6.214","0.001","8.643","0.001","90","","101.19","0.01","90","","381.5","0.13","295","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H7 As N O3 -","- C12 H14 As2 N2 O6 -","2","1","CF1008","Nuttall, R. H.; Hunter, W. N.","p-Arsanilic Acid, a Redetermination","Acta Crystallographica Section C","1996","52","7","1681","1683","10.1107/S010827019501657X","","","1.54178","CuKα","","","0.044","","","0.055","","","","","1.04","1.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005107","8.193","0.005","10.546","0.006","11.092","0.006","90","","103.21","0.04","90","","933","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide,","","- C19 H23 Cl O7 -","- C19 H23 Cl O7 -","- C38 H46 Cl2 O14 -","2","1","CF1061","Mattern, G.; Weckert, E.; Youssef, D.; Frahm, A. W.","Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from Centaurea scoparia","Acta Crystallographica Section C","1996","52","7","1791","1793","10.1107/S0108270196000741","","","0.71073","MoKα","","0.0381","0.0354","","0.0367","0.0366","","","","2.27","2.34","2.34","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005110","6.209","0.002","5.023","0.001","10.457","0.003","90","","95.35","0.03","90","","324.71","0.16","160.95","","160.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H6 N O4 -","- C14 H12 N2 O8 -","2","1","CR1179","King, Jnr, J. A.; Bryant, Jnr, G. L.","p-Nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","7","1691","1693","10.1107/S0108270196001254","","","0.71073","MoKα","","0.0619","0.0589","","0.0755","0.0755","","","","","4.39","4.39","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2005114","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.83","0.07","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","","LiMoP~2~O~7~","Acta Crystallographica C","1996","52","","1593","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005137","3.916","0.0008","15.019","0.003","26.479","0.005","90","","94.83","0.02","90","","1551.8","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","Solvent Violet 13, Disperse Blue 72","1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","KA1165","Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V.","Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone","Acta Crystallographica Section C","1996","52","7","1853","1856","10.1107/S0108270196000625","","","0.71073","MoKα","","0.1117","0.042","","0.0853","0.0692","","","","0.888","1.218","1.218","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005142","6.6813","0.0004","14.7787","0.0009","10.2608","0.0009","90","","96.29","0.02","90","","1007.06","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","His-Tyr dihydrochloride dihydrate","L-Histidyl-L-tyrosinium dichloride dihydrate","","- C15 H24 Cl2 N4 O6 -","- C15 H24 Cl2 N4 O6 -","- C30 H48 Cl4 N8 O12 -","2","1","KA1180","Steiner, Th.","L-Histidyl-L-tyrosinium Dichloride Dihydrate, C~15~H~20~N~4~O~4~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1996","52","7","1845","1847","10.1107/S0108270196002430","","","1.54176","CuKα","","0.0329","0.0257","","0.0825","0.066","","","","1.101","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005160","4.809","0.003","17.846","0.004","8.825","0.005","90","","93.68","0.03","90","","755.8","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","NA1224","Puliti, R.; De Sena, C.; Mattia, C. A.","N-Acetyl-L-phenylalanyl-L-alaninamide","Acta Crystallographica Section C","1996","52","7","1820","1823","10.1107/S0108270196002910","","","1.54056","CuKα","","","0.047","","","0.045","","","","","0.93","0.93","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005162","9.441","0.002","5.222","0.001","11.337","0.004","90","","109","0.02","90","","528.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-cysteine","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","2","NA1229","Görbitz, C. H.; Dalhus, B.","L-Cysteine, Monoclinic Form, Redetermination at 120K","Acta Crystallographica Section C","1996","52","7","1756","1759","10.1107/S0108270196003952","","","0.71069","MoKα","","0.0323","0.0311","","0.0836","0.0825","","","","1.066","1.071","1.071","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005171","9.562","0.002","5.301","0.001","14.519","0.003","90","","94.2","0.02","90","","734","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","PA1221","Görbitz, C. H.; Dalhus, B.","Redetermination of L-Leucine at 120K","Acta Crystallographica Section C","1996","52","7","1754","1756","10.1107/S0108270196002296","","","0.71069","MoKα","","0.0491","0.0435","","0.1044","0.1015","","","","1.086","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005185","6.322","0.001","13.476","0.001","9.115","0.002","90","","106.54","0.01","90","","744.4","0.2","213","1","213","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Br4 N O2 -","- C12 H11 Br4 N O2 -","- C24 H22 Br8 N2 O4 -","2","1","TA1058","Banwell, M. G.; Forman, G. S.; Hockless, D. C. R.","(3aR,3bS,4aR,4bR,5aR,5bS)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[e,g][1,3]benzodioxole-3b-carbonitrile","Acta Crystallographica Section C","1996","52","7","1804","1806","10.1107/S0108270195015319","","","1.5418","CuKα","","","0.0272","","","0.0325","","","","","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005194","5.251","0.004","7.782","0.004","7.592","0.005","90","","101.46","0.06","90","","304","0.3","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium hydrogen L-tartrate","","- C4 H5 Na O6 -","- C4 H5 Na O6 -","- C8 H10 Na2 O12 -","2","1","AB1342","Matsumoto, S.; Kashino, S.","Sodium Hydrogen L-Tartrate","Acta Crystallographica Section C","1996","52","8","1948","1950","10.1107/S0108270196005288","","","0.71073","MoKα","","","0.026","","","0.033","","","","","2.18","2.18","","","","","has coordinates,has disorder","248647","2020-10-21","18:00:00",""
"2005212","5.534","0.002","12.759","0.002","5.74","0.002","90","","104.77","0.02","90","","391.9","0.2","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 Ca N O7 P -","- C3 H8 Ca N O7 P -","- C6 H16 Ca2 N2 O14 P2 -","2","1","BK1190","Suga, T.; Okabe, N.","Aqua(L-O-serine phosphato)calcium(II)","Acta Crystallographica Section C","1996","52","8","1894","1896","10.1107/S0108270196002648","","","0.71069","MoKα","","","0.024","","","0.029","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005220","12.893","0.004","6.215","0.002","18.8","0.008","90","","95.06","0.03","90","","1500.6","0.9","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cholesteryl p-Toluenesulfonate","","- C34 H52 O3 S -","- C34 H52 O3 S -","- C68 H104 O6 S2 -","2","1","BM1066","Cox, P. J.; Buchanan, H. J.; Wardell, J. L.","Redetermination of Cholesteryl p-Toluenesulfonate at 150K","Acta Crystallographica Section C","1996","52","8","2111","2113","10.1107/S0108270196003150","","","0.71073","MoKα","","0.0981","0.0494","","0.1066","0.096","","","","0.659","0.888","0.888","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005236","7.1551","0.0007","13.528","0.001","9.9826","0.0009","90","","90.748","0.008","90","","966.18","0.15","183","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","CR1202","Freeman, F.; Scheuerman, R. A.; Ziller, J. W.","1-(4-Amino-6-methyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)-1-deoxy-D-ribose 5-Benzoate Dihydrate","Acta Crystallographica Section C","1996","52","8","2006","2008","10.1107/S0108270196001242","","","0.71073","MoKα","","","0.048","","","0.062","","","","","1.95","1.95","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005243","6.553","0.004","10.893","0.004","20.492","0.002","90","","94.09","0.02","90","","1459","1","296","","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C35 H50 -","- C35 H50 -","- C70 H100 -","2","1","FG1167","Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.","Naphtho[2,3-b]cholestane","Acta Crystallographica Section C","1996","52","8","2113","2115","10.1107/S0108270196003599","","","0.71069","MoKα","","","0.0595","","","0.0611","","","","","3.158","3.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005259","12.032","0.001","7.742","0.001","15.148","0.001","90","","90.92","0.01","90","","1410.9","0.2","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O2 -","- C32 H52 O2 -","- C64 H104 O4 -","2","1","KA1168","Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H.","Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from Ficus thunbergii","Acta Crystallographica Section C","1996","52","8","2024","2026","10.1107/S0108270196001588","","","0.71073","MoKα","","","0.056","","","0.049","","","","","1.38","1.38","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005264","7.665","0.001","14.816","0.001","13.237","0.001","90","","93.83","0.001","90","","1499.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-phenyl-2-(propyl-amino)-penthane","","- C14 H24 Cl N -","- C14 H24 Cl N -","- C56 H96 Cl4 N4 -","4","2","KA1192","Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I.","1-Phenyl-2-(propylamino)pentane, a Memory Enhancer","Acta Crystallographica Section C","1996","52","8","2090","2092","10.1107/S0108270196005148","","","1.5418","CuKα","","0.1074","0.0528","","0.1654","0.1568","","","","1.024","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005272","8.683","0.003","16.309","0.005","9.216","0.004","90","","99.25","0.03","90","","1288.1","0.8","296","","","","","","","","","","","6","P 1 21 1","","","","","","- C18 H41 Cl N4 O7 Zn -","- C18 H41 Cl N4 O7 Zn -","- C36 H82 Cl2 N8 O14 Zn2 -","2","1","KH1072","H.-M. Hu; H.-S. Sun; X.-Z. You; X.-Y. Huang","(Acetato-O)(meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')zinc(II) Perchlorate Monohydrate","Acta Crystallographica Section C","1996","52","8","1946","1948","10.1107/S0108270196004945","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005292","9.8355","0.0004","8.2688","0.0004","14.7126","0.0008","90","","107.567","0.004","90","","1140.74","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","trimethyl(10E,12E)-cis-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C46 H60 O16 -","2","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with trans-trans and trans-cis Dienes. Trimethyl (2E,4E)-cis- and Trimethyl (2Z,4E)-trans-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.0505","0.0413","","0.1121","0.1055","","","","1.049","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005314","5.84","0.003","8.063","0.006","12.923","0.007","90","","101.74","0.06","90","","595.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside","","- C10 H18 O8 -","- C10 H18 O8 -","- C20 H36 O16 -","2","1","AB1291","Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G.","Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside","Acta Crystallographica Section C","1996","52","9","2285","2287","10.1107/S0108270196003411","","","1.54184","CuKα","","0.0817","0.0562","","0.16","0.1411","","","","1.072","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005333","5.364","0.008","12.148","0.009","7.922","0.004","90","","108.87","0.06","90","","488.5","0.9","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Trilanthanum Trichloride Pyrosilicate","","- Cl3 La3 O7 Si2 -","- Cl3 La3 O7 Si2 -","- Cl6 La6 O14 Si4 -","2","1","BR1087","Chen, J.-T.; Guo, G.-C.; Huang, J.-S.; Zhang, Q.-E.","La~3~(Si~2~O~7~)Cl~3~","Acta Crystallographica Section C","1996","52","9","2123","2125","10.1107/S010827019501506X","","","0.71073","MoKα","","","0.0605","","","0.0918","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005351","13.314","0.008","9.983","0.005","13.45","0.007","90","","117.63","0.02","90","","1583.8","1.5","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","2[1-(R)-(N,N-dimethylamino)-ethyl],2'[1-(R)(N,N-dimethylammonium)-ethyl] -1,1'(S,S)biferrocene trichloro(dimethylsulfoxide)platinate(II). ?","","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C60 H86 Cl6 Fe4 N4 O2 Pt2 S2 -","2","1","FG1112","Robinson, B. H.; Simpson, J.; Wilson, D. J.","1-(R)-{2-[1-(R)-(N,N-Dimethylamino)ethyl]-1,1'-(S,S)-biferrocen-2'-yl}ethyl-N,N-dimethylammonium Trichloro(dimethyl sulfoxide-S)platinate(II)","Acta Crystallographica Section C","1996","52","9","2196","2198","10.1107/S0108270196004118","","","0.71073","MoKα","","0.0621","0.0489","","0.1097","0.106","","","","0.941","1.024","1.024","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005366","8.248","0.003","9.593","0.003","10.943","0.003","90","","99.48","0.01","90","","854","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S)-3-benzamido-3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","HA1159","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Bicyclo[2.2.2]octane Skeleton","Acta Crystallographica Section C","1996","52","9","2292","2294","10.1107/S0108270196004696","","","0.71073","MoKα","","0.0623","0.044","","0.1134","0.1019","","","","1.062","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005368","11.378","0.002","7.124","0.001","11.585","0.002","90","","101.7","0.8","90","","920","3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Co N2 O3 -","- C20 H25 Co N2 O3 -","- C40 H50 Co2 N4 O6 -","2","1","HU1052","Chen, H.; Han, D.; Yan, H.; Tang, W.; Yang, Y.; Yang, W.","Aqua[bis(salicylidene)ethylenediaminato](isobutyl)cobalt(III)","Acta Crystallographica Section C","1996","52","9","2204","2206","10.1107/S0108270196009134","","","0.71073","MoKα","","","0.053","","","0.067","","","","","1.24","1.24","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2005423","9.553","0.009","19.2","0.03","18.607","0.018","90","","101.76","0.07","90","","3341","7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","4","SK1003","Alcock, N. W.; Clase, H. J.; Willey, G. R.; Daly, L. T.","Packing of Four Independent Molecules: 1-Methyl-N,N'-bis(salicylidene)-2,4-phenylenediamine","Acta Crystallographica Section C","1996","52","9","2340","2343","10.1107/S0108270196002272","","","0.71073","MoKα","","0.2251","0.1058","","0.4","0.2846","","","","0.998","1.362","1.362","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005425","7.7989","0.0004","8.066","0.0011","7.8631","0.001","90","","116.336","0.013","90","","443.3","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","diisopropylammonium bromide","diisopropylammonium bromide","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","SK1006","Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C.","Diisopropylammonium Bromide","Acta Crystallographica Section C","1996","52","9","2309","2311","10.1107/S010827019600354X","","","0.71073","MoKα","","0.0337","0.022","","0.0468","0.0436","","","","1.02","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005453","9.502","0.001","9.942","0.001","9.841","0.002","90","","106.6","0.01","90","","890.9","0.2","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilecta- 11(20),15-diene","","","- C21 H31 N -","- C21 H31 N -","- C42 H62 N2 -","2","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge Cymbastela hooperi","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0505","0.0393","","0.0383","0.0374","","","","","2.008","2.008","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005468","10.466","0.002","7.6364","0.0019","17.197","0.002","90","","90.37","0.012","90","","1374.4","0.5","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate 2-Propanolate","","- C27 H47 Na O6 -","- C27 H47 Na O6 -","- C54 H94 Na2 O12 -","2","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","1.54184","CuKα","","0.205","0.063","","0.205","0.134","","","","1.088","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005511","12.013","0.002","10.61","0.002","15.634","0.003","90","","103.08","0.03","90","","1941","0.7","243","2","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(tert-butylthio)germanium-Imide trimer","","- C24 H57 Ge3 N3 S6 -","- C24 H57 Ge3 N3 S6 -","- C48 H114 Ge6 N6 S12 -","2","1","FG1205","George, C.; Purdy, A. P.","Bis(tert-butylthiolato-S)germanium‒Imide Trimer","Acta Crystallographica Section C","1996","52","10","2489","2491","10.1107/S0108270196007822","","","1.54178","CuKα","","0.0582","0.0512","","0.132","0.1258","","","","1.038","1.043","1.043","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005515","4.6709","0.0002","14.9289","0.0007","9.0408","0.0009","90","","90.131","0.011","90","","630.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","l-Histidyl-l-alanine dihydrate","l-Histidyl-l-alanine dihydrate","","- C9 H18 N4 O5 -","- C9 H18 N4 O5 -","- C18 H36 N8 O10 -","2","1","HA1164","Steiner, Th.","L-Histidyl-L-alanine Dihydrate","Acta Crystallographica Section C","1996","52","10","2554","2556","10.1107/S0108270196006804","","","1.54176","CuKα","","0.0219","0.0204","","0.0564","0.0545","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005519","9.003","0.002","11.142","0.003","7.568","0.002","90","","99.51","0.02","90","","748.7","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 Mn2 O16 -","- C8 H4 Mn2 O16 -","- C16 H8 Mn4 O32 -","2","1","KA1155","Ruiz-Pérez, C.; Hernández-Molina, M.; González-Silgo, C.; López, T.; Yanes, C.; Solans, X.","Polymeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^]dimanganese(II) Trihydrate","Acta Crystallographica Section C","1996","52","10","2473","2475","10.1107/S0108270196006427","","","0.71073","MoKα","","","0.068","","","0.2053","","","","","1.116","1.116","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005533","6.124","0.002","8.407","0.003","10.277","0.003","90","","90","0.03","90","","529.1","0.3","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","NA1217","Majzner, W. R.; Wieczorek, M. W.; Błaszczyk, J.; Kula, J.; Sikora, M.","(S)-(+)-Homoterpenyl Methyl Ketone","Acta Crystallographica Section C","1996","52","10","2629","2631","10.1107/S0108270196005549","","","1.54184","CuKα","","","0.042","","","0.0487","","","","","1.3698","1.3698","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2005544","7.948","0.005","10.902","0.002","8.22","0.005","90","","106.43","0.03","90","","683.2","0.6","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α,3α,7β,8β-diépoxy-trans-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1232","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,8β-Diépoxy-trans-himachalane","Acta Crystallographica Section C","1996","52","10","2502","2504","10.1107/S0108270196005768","","","1.5418","CuKα","","","0.058","","","0.065","","","","","0.6","0.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005545","8.537","0.002","8.221","0.002","10.364","0.002","90","","104.31","0.02","90","","704.8","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α ,3α ,6α ,7α-diépoxyhimachalane","","- C15 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","PA1235","Chiaroni, A.; Riche, C.; Benharref, A.; Lassaba, E.; Baouid, A.","2α,3α:6α,7α-Diépoxyhimachalane","Acta Crystallographica Section C","1996","52","10","2504","2507","10.1107/S0108270196005756","","","1.5418","CuKα","","","0.059","","","0.07","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005546","10.566","0.001","7.88","0.001","11.572","0.001","90","","99.18","0.01","90","","951.15","0.17","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,4,6-triphenyl pyran-3,5-dicarboxaldehyde","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","PA1236","Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M.","2,4,6-Triphenyl-4H-pyran-3,5-dicarboxaldehyde","Acta Crystallographica Section C","1996","52","10","2599","2601","10.1107/S0108270196006798","","","0.71073","MoKα","","","0.0377","","","0.0446","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005602","8.262","0.002","13.774","0.004","8.915","0.002","90","","92.49","0.02","90","","1013.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 Cl N2 O6 -","- C18 H33 Cl N2 O6 -","- C36 H66 Cl2 N4 O12 -","2","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.0871","0.0357","","0.1371","0.0998","","","","1.125","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005617","12.303","0.002","18.668","0.004","13.09","0.002","90","","112.81","0.02","90","","2771.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 3α-methacryloylamino-7α,12α-dihydroxy-5β-cholanoate","","- C29 H47 N O5 -","- C29 H47 N O5 -","- C116 H188 N4 O20 -","4","2","FG1198","Akram, M.; Denike, J. K.; Bélanger-Gariépy, F.; Zhu, X.-X.","Methyl 7α,12α-Dihydroxy-3α-methacryloylamino-5β-cholan-24-oate","Acta Crystallographica Section C","1996","52","11","2905","2907","10.1107/S0108270196007809","","","1.54056","CopperKα","","0.0471","0.0381","","0.0896","0.0853","","","","0.942","1.001","1.001","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005632","6.5712","0.0006","12.9917","0.0006","6.9237","0.0003","90","","102.133","0.006","90","","577.88","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triammonium trimetaphosphimate monohydrate","Triammonium-tri-μ-imido-cyclotriphosphate monohydrate","","- H17 N6 O7 P3 -","- H17 N6 O7 P3 -","- H34 N12 O14 P6 -","2","1","JZ1139","Stock, N.; Schnick, W.","Triammonium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1996","52","11","2645","2647","10.1107/S0108270196006907","","","0.71073","MoKα","","0.0173","0.0167","","0.0447","0.0443","","","","1.129","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005638","13.507","0.003","6.117","0.005","15.25","0.003","90","","92.582","0.015","90","","1258.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","syn-4-androsten-17beta-yl acetate-3-O-benzyloxyme","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C56 H74 N2 O6 -","2","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1226","0.0476","","0.1629","0.1157","","","","1.072","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005642","4.77","0.001","11.725","0.002","8.9911","0.0008","90","","99.64","0.01","90","","495.76","0.14","296","","","","","","","","","","","5","P 1 21 1","","","","","","- C10 H7 F4 N O -","- C10 H7 F4 N O -","- C20 H14 F8 N2 O2 -","2","1","KH1097","Kato, K.; Morikawa, H.; Kimoto, H.; Momota, K.","5,5,8,8-Tetrafluoro-6-methoxy-5,8-dihydroquinoline","Acta Crystallographica Section C","1996","52","11","2836","2837","10.1107/S0108270196007676","","","0.71069","MoKα","","","0.037","","","0.036","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005645","8.754","0.002","8.857","0.002","16.748","0.003","90","","92","0.03","90","","1297.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetra-n-butylammonium Chloride-Thiourea (1/2)","","","- C18 H44 Cl N5 S2 -","- C18 H44 Cl N5 S2 -","- C36 H88 Cl2 N10 S4 -","2","1","KH1101","Li, Q.; Mak, T. C. W.","Tetra-n-butylammonium Chloride‒Thiourea (1/2), a Layer-Type Inclusion Compound","Acta Crystallographica Section C","1996","52","11","2830","2832","10.1107/S0108270196008268","","","0.71073","MoKα","","0.0619","0.0501","","0.1476","0.1371","","","","1.061","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005667","7.7033","0.0002","8.4943","0.0002","15.4169","0.0005","90","","96.201","0.005","90","","1002.89","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(R)-N-[3,4-dihydro-2H-1-benzopyran-2-yl)methyl]- N'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediamine dihydrobromide","","- C17 H28 Br2 N4 O -","- C17 H28 Br2 N4 O -","- C34 H56 Br4 N8 O2 -","2","1","NA1252","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","({-})-(R)-N-[(3,4-Dihydro-2H-1-benzopyran-2-yl)methyl]-N'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediaminium Dibromide","Acta Crystallographica Section C","1996","52","11","2795","2797","10.1107/S010827019600710X","","","1.54184","CuKα","","0.0335","0.0333","","0.0842","0.0842","","","","1.085","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005674","10.661","0.002","5.478","0.002","11.383","0.003","90","","104.57","0.02","90","","643.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dinitro-diphenyl-sulfone","","- C12 H8 N2 O6 S -","- C12 H8 N2 O6 S -","- C24 H16 N4 O12 S2 -","2","1","PA1230","Ellena, J.; Punte, G.; Nudelman, N. S.","2,4-Dinitrophenyl Phenyl Sulfone","Acta Crystallographica Section C","1996","52","11","2929","2932","10.1107/S0108270196008736","","","0.71073","MoKα","","0.0449","0.0371","","0.0866","0.0811","","","","1.137","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005700","6.245","0.002","20.797","0.002","6.7034","0.0014","90","","105.42","0.02","90","","839.3","0.3","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H26 N2 O9 Pt -","- C12 H26 N2 O9 Pt -","- C24 H52 N4 O18 Pt2 -","2","1","AB1376","Yuge, H.; Miyamoto, T. K.","(trans-1R,2R-Cyclohexanediamine-N,N')(L-ascorbato-C^2^,O^5^)platinum(II)‒Water (1/3)","Acta Crystallographica Section C","1996","52","12","3002","3005","10.1107/S0108270196009493","","","0.71069","MoKα","","0.0327","0.0283","","0.0652","0.0638","","","","1.17","1.188","1.188","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005703","8.397","0.001","6.083","0.001","9.671","0.001","90","","111.53","0.01","90","","459.52","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Trinitro-1,3,5-benzenetriol","","- C6 H3 N3 O9 -","- C6 H3 N3 O9 -","- C12 H6 N6 O18 -","2","1","AB1389","Wolff, J. J.; Gredel, F.; Irngartinger, H.; Dreier, T.","Trinitrophloroglucinol","Acta Crystallographica Section C","1996","52","12","3225","3227","10.1107/S0108270196009523","","","0.71073","MoKα","","0.048","0.037","","","0.047","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005737","7.7176","0.0016","17.328","0.004","7.8162","0.0015","90","","93.62","0.016","90","","1043.2","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-fluoro-11β-hydroxy-21-methoxy-16α-methyl-pregna-1,4-diene-3,20,21-trione","","- C23 H29 F O5 -","- C23 H29 F O5 -","- C46 H58 F2 O10 -","2","1","BM1097","Negriolli, J.; Evain, M.; André, F.","A Corticosteroid Ester","Acta Crystallographica Section C","1996","52","12","3102","3104","10.1107/S0108270196009444","","","0.71073","MoKα","","0.059","0.059","","0.059","0.059","","","","1.421","1.421","1.421","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005744","7.004","0.001","5.374","0.0008","8.691","0.001","90","","110.18","0.01","90","","307.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium yttrium diphosphate","","- Na O7 P2 Y -","- Na O7 P2 Y -","- Na2 O14 P4 Y2 -","2","1","BR1148","Hamady, A.; Jouini, T.","NaYP~2~O~7~","Acta Crystallographica Section C","1996","52","12","2949","2951","10.1107/S0108270196009626","","","0.71069","MoKα","","0.0718","0.0425","","0.1023","0.091","","","","1.087","1.159","1.159","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005753","9.414","0.001","10.339","0.002","14.675","0.002","90","","102.1","0.02","90","","1396.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","penicillin V benzhydryl ester sulfoxide","diphenylmethyl 3,3-dimethyl- 7-oxo-6-phenoxyacetamido-4-thia-1-azabicylo[3.2.0] heptane-2-carboxylate-4-oxide monohydrate","","- C29 H30 N2 O7 S -","- C29 H30 N2 O7 S -","- C58 H60 N4 O14 S2 -","2","1","CF1116","Yoon, T.-S.; Shin, W.","Penicillin V Benzhydryl Ester Sulfoxide Monohydrate","Acta Crystallographica Section C","1996","52","12","3142","3144","10.1107/S0108270196009250","","","1.5418","CuKα","","0.0479","0.0341","","0.0905","0.0854","","","","1.069","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005755","9.747","0.002","5.747","0.001","18.971","0.004","90","","91.08","0.03","90","","1062.5","0.4","205","2","205","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-1-deoxy-1-(2-furyl)-1-(hydroxiamino)-2,3:4,5-di- O-isopropylidene-L-manno-pentitol","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C44 H58 N2 O12 -","2","1","CF1124","Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. III. 1-(N-Benzyl-N-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-O-isopropylidene-L-manno-pentitol","Acta Crystallographica Section C","1996","52","12","3197","3198","10.1107/S0108270196009687","","","0.71073","MoKα","","0.0876","0.0732","","0.1824","0.1696","","","","1.038","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005782","5.202","0.001","16.329","0.005","9.745","0.007","90","","98.33","0.04","90","","819","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Zearalenone","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","KA1200","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione (Zearalenone)","Acta Crystallographica Section C","1996","52","12","3095","3097","10.1107/S0108270196011055","","","1.54178","CuKα","","0.0653","0.0503","","0.0852","0.08","","","","1.166","1.287","1.287","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005815","5.588","0.001","11.645","0.001","18.561","0.002","90","","97.56","0.01","90","","1197.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","2',3'-dideoxy-3'-nitro-thymidine","","- C10 H13 N3 O6 -","- C10 H13 N3 O6 -","- C40 H52 N12 O24 -","4","2","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0608","0.0551","","0.1722","0.1639","","","","0.894","0.899","0.899","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005824","5.188","0.001","38.076","0.007","9.049","0.001","90","","96.32","0.01","90","","1776.7","0.5","293","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","2","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.1846","0.0781","","0.2351","0.1656","","","","0.947","1.007","1.007","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005825","4.828","0.001","34.865","0.006","5.317","0.001","90","","98.93","0.01","90","","884.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(R)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C36 H54 N2 O4 S2 -","2","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.0832","0.0445","","0.1326","0.1083","","","","0.668","0.698","0.698","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005833","6.612","0.002","9.333","0.002","13.819","0.003","90","0.02","96.72","0.03","90","0.02","846.9","0.4","130","0.1","130","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2) cis-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C32 H46 N2 O10 S2 -","2","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","cis- and trans-4-tert-Butylcyclohexyl p-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","1.5418","CuKα(nickelfiltered)","","0.0479","0.0408","","0.1755","0.1175","","","","0.837","0.833","0.833","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005858","9.493","0.001","11.426","0.001","14.932","0.002","90","","102.77","0.01","90","","1579.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-(5-carboethoxy-1,2,3-triazol-1-yl)- α-D-xylofuranose","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","2","FG1203","Horton, D.; Levine, B. R.; Norris, P.; Luck, R. L.; Silverton, J. V.","5-Deoxy-5-C-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1,2-O-isopropylidene-α-D-xylofuranose","Acta Crystallographica Section C","1997","53","1","120","122","10.1107/S0108270196012097","","","1.54184","copperKα","","","0.052","","","0.06","","","","","2.19","2.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005860","5.8824","0.0007","12.451","0.002","6.7557","0.0008","90","","110.186","0.006","90","","464.41","0.11","296","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-cis Pinononic acid","(-)-cis-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","FG1213","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.","({-})-cis-Pinononic Acid: Hydrogen-Bonding Pattern of a δ-Keto Acid","Acta Crystallographica Section C","1997","53","1","102","106","10.1107/S0108270196012103","","","0.71073","MoKα","","0.0766","0.0425","","0.1016","0.0922","","","","0.836","1.033","1.033","","","","","has coordinates,has disorder","200179","2020-10-21","18:00:00",""
"2005863","5.592","0.0001","21.3403","0.0005","9.7192","0.0002","90","","96.197","0.001","90","","1153.06","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O12 -","- C20 H23 N O12 -","- C40 H46 N2 O24 -","2","1","FR1003","Abboud, K. A.; Toporek, S. S.; Horenstein, B. A.","p-Nitrophenyl 2,3,4,6-Tetra-O-acetyl-β-D-glucopyranoside","Acta Crystallographica Section C","1997","53","1","118","120","10.1107/S0108270196012784","","","0.71073","MoKα","","0.0383","0.0344","","0.0909","0.0846","","","","1.124","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005868","6.3561","0.0014","9.892","0.002","14.937","0.003","90","","95.04","0.02","90","","935.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5S-3-Phenyl-5-(6'R,7R,14'R-1',8',13',16'-tetraoxadispiro[5.0.5.4] hexadecan-14'-yl)-4,5-dihydrooxisoxazole","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C42 H54 N2 O10 -","2","1","HA1176","Blake, A. J.; Gould, R. O.; Paton, R. M.; Todd, C. J.","(5S)-3-Phenyl-5-[(6R,7R,14R)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-yl]-4,5-dihydroisoxazole: the Major Adduct Resulting from Cycloaddition of Benzonitrile Oxide to (6R,7R,14S)-14-Vinyl-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecane","Acta Crystallographica Section C","1997","53","1","116","117","10.1107/S0108270196012243","","","0.71073","MoKα","","0.0305","0.0276","","0.0766","0.0714","","","","1.095","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005891","12.688","0.002","11.894","0.004","16.876","0.002","90","","101.78","0.01","90","","2493.1","1","295","","298","","","","","","","","","4","P 1 21 1","","","","(+)-1-allyl-N'-(5R,8S)[9,10-didehydro-6-methylergolin-8-yl]-N,N-diethylurea (+)(S)-2-(6-methoxy-2-naphthyl)propionic acid","","- C54 H68 N4 O9 -","- C54 H68 N4 O9 -","- C108 H136 N8 O18 -","2","1","NA1243","Bachechi, F.; Flieger, M.; Sinibaldi, M.","Complex of a Lisuride Derivative and (S)-Naproxen","Acta Crystallographica Section C","1997","53","1","136","140","10.1107/S0108270196009870","","","1.54178","CuKα","","","0.049","","","0.0566","","","","","2.03","2.03","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2005902","9.405","0.001","7.669","0.002","9.436","0.001","90","","104.177","0.009","90","","659.9","0.2","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","TA1109","Suga, T.; Okabe, N.","L-Histidinol Phosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","1","134","136","10.1107/S0108270196012516","","","0.71069","MoKα","","","0.036","","","0.049","","","","","1.87","1.87","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005926","10.303","0.001","6.864","0.001","18.844","0.001","90","","90.88","0.01","90","","1332.5","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C58 H84 O12 -","2","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0513","0.0466","","0.1398","0.1356","","","","1.051","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005941","9.77","0.003","8.575","0.005","10.096","0.002","90","","111.68","0.02","90","","786","0.6","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","α,β-trehalose monohydrate","","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","KH1115","Taga, T.; Miwa, Y.; Min, Z.","α,β-Trehalose Monohydrate","Acta Crystallographica Section C","1997","53","2","234","236","10.1107/S0108270196012693","","","0.7107","MoKα","","","0.041","","","0.049","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005944","7.72","0.001","9.764","0.001","10.643","0.002","90","","106.79","0.01","90","","768","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S)-8-C-Chloro-6,7,8-trideoxy-1,1:3,4-di-O-isopropylidene-α-D-galacto- oct-6,7-dienopyranose","","- C14 H19 Cl O5 -","- C14 H19 Cl O5 -","- C28 H38 Cl2 O10 -","2","1","NA1258","Horton, D.; Liu, Q.; Luck, R. L.; Silverton, J. V.","(6S)-8-C-Chloro-6,7,8-trideoxy-1,2:3,4-di-O-isopropylidene-α-D-galacto-octa-6,7-dienopyranose","Acta Crystallographica Section C","1997","53","2","236","238","10.1107/S0108270196012851","","","1.54184","copperKα","","","0.045","","","0.053","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005953","8.35","0.002","12.57","0.002","12.945","0.001","90","","92.21","0.01","90","","1357.7","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","ent-13-acetoxy-2β,3α-dihydroxy-1α-carboxy-10α-phenyl-20-norgibberell-16- ene-7,19-dioic acid 19,2-lactone 1',3-lactone 7-(methyl ester) acetonitrile solvate","","- C31 H33 N O8 -","- C31 H33 N O8 -","- C62 H66 N2 O16 -","2","1","TA1104","Mander, L. N.; Sherburn, M. S.; Willis, A. C.","The Unusual Structure of a C-Arylated Gibberellin Bis-γ-lactone Formed from a Free Radical-Initiated Cyclization","Acta Crystallographica Section C","1997","53","2","223","225","10.1107/S010827019601147X","","","1.5418","CopperKα","","0.053","0.053","","0.073","0.073","","","","2.017","2.017","2.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005973","7.371","0.0007","11.1271","0.0016","19.191","0.0016","90","","99.725","0.008","90","","1551.4","0.3","287","","287","","","","","","","","","3","P 1 21 1","P 2yb","4","","succinyl oleanolic acid","","- C34 H52 O6 -","- C34 H52 O6 -","- C68 H104 O12 -","2","1","BK1288","Yang, J.; Quail, J. W.; Jia, Z.","Succinyl Oleanolic Acid","Acta Crystallographica Section C","1997","53","3","349","351","10.1107/S0108270196013923","","","0.7093","MolybdenumKα","","0.06","0.047","","0.053","0.05","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005976","12.151","0.001","9.846","0.001","10.642","0.001","90","","107.14","0.04","90","","1216.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O10 -","- C23 H29 N O10 -","- C46 H58 N2 O20 -","2","1","BM1091","Jesús Diánez, M.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.","N-Acetyl-2,3,4,6-tetra-O-acetyl-N-benzyl-β-D-glucopyranosylamine","Acta Crystallographica Section C","1997","53","3","378","379","10.1107/S0108270196014230","","","0.7107","MoKα","","0.0646","0.0485","","0.1568","0.1275","","","","1.094","1.035","1.035","","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2006011","9.269","0.002","6.459","0.002","13.989","0.002","90","","106.43","0.02","90","","803.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,4α-epoxy-5α-androstan-17-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","NA1273","Paixão, J. A.; Ramos Silva, M.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4α-Epoxy-5α-androstan-17-one","Acta Crystallographica Section C","1997","53","3","347","349","10.1107/S0108270196014394","","","0.7093","MoKα","","0.0576","0.0348","","0.1036","0.0891","","","","1.004","1","1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006013","8.137","0.002","12.363","0.002","10.537","0.002","90","0.02","98.77","0.02","90","0.02","1047.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl O6 Si -","- C20 H23 Cl O6 Si -","- C40 H46 Cl2 O12 Si2 -","2","1","OA1012","White, J. M.; Riches, A. G.; Cameron, D. W.; Griffiths, P. G.","(1α,4aβ,9aβ)-4a-Acetoxy-9a-chloro-1-methoxy-3-trimethylsiloxy-1,4,4a,9,9a,10-hexahydroanthracene-9,10-dione","Acta Crystallographica Section C","1997","53","3","386","387","10.1107/S0108270196013595","","","1.5418","CuKα(Nifiltered)","","0.0438","0.0397","","0.1046","0.0977","","","","1.235","1.196","1.196","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006020","9.447","0.001","10.037","0.002","17.04","0.002","90","","100.21","0.01","90","","1590.1","0.4","296.2","","296.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H42 O6 -","- C37 H42 O6 -","- C74 H84 O12 -","2","1","TA1108","Nishikawa, K.; Matsumoto, A.; Tsukada, H.; Shiro, M.; Toda, F.","Inclusion Complex of (S)-1,3-Butanediol with (S,S)-(+)-trans-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.4]nonane","Acta Crystallographica Section C","1997","53","3","351","353","10.1107/S0108270196014175","","","1.5418","CuKα","","","0.0432","","","0.0553","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006022","9.977","0.004","5.757","0.004","16.047","0.003","90","","96.26","0.02","90","","916.2","0.8","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O5 -","- C17 H26 N2 O5 -","- C34 H52 N4 O10 -","2","1","TA1117","Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R.","1-Acetyl-4-[(1R,2S,5R)-3-menthyloxycarbonyl]piperazine-2,5-dione","Acta Crystallographica Section C","1997","53","3","327","329","10.1107/S0108270196013753","","","1.5418","CuKα","","0.0983","0.0983","","0.0448","0.0448","","","","1.989","1.989","1.989","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006035","10.3344","0.0007","10.8162","0.0007","11.362","0.0007","90","","108.73","0.006","90","","1202.77","0.14","296","","296","","","","","","","","","4","P 1 21 1","","","","3α,7α,12α-Trihydroxy-5β-cholan-24-amide Dihydrate","","- C24 H45 N O6 -","- C24 H45 N O6 -","- C48 H90 N2 O12 -","2","1","BK1304","Wahle, M. C.; Fanwick, P. E.; Byrn, S. R.","Cholamide Dihydrate","Acta Crystallographica Section C","1997","53","4","480","482","10.1107/S0108270196014382","","","1.54184","CuKα","","0.054","0.042","","0.13","0.114","","","","1.062","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006051","10.154","0.002","8.968","0.002","6.749","0.002","90","","104","0.2","90","","596.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pGlu-Pro-NH~2~","(author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide","","- C10 H17 N3 O4 -","- C10 H17 N3 O4 -","- C20 H34 N6 O8 -","2","1","DU1169","Wouters, J.; Norberg, B.; Evrard, G.","The Dipeptide pGlu‒Pro-NH~2~","Acta Crystallographica Section C","1997","53","4","477","480","10.1107/S0108270196014655","","","1.54178","CuKα","","0.0266","0.0256","","0.0764","0.0749","","","","1.084","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006132","8.7641","0.0004","26.785","0.002","12.5316","0.0007","90","","104.412","0.004","90","","2849.2","0.3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate","","- C27 H35 Cl F N3 O10 -","- C27 H35 Cl F N3 O10 -","- C108 H140 Cl4 F4 N12 O40 -","4","2","NA1275","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","Absolute Configuration of the Double Salt of cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)","Acta Crystallographica Section C","1997","53","5","597","599","10.1107/S0108270196015181","","","1.54184","CuKα","","0.0511","0.0415","","0.1092","0.1092","","","","1.032","1.032","1.032","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006145","8.54","0.0011","5.2249","0.0014","10.2686","0.0008","90","","97.191","0.008","90","","454.59","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","QB0001","Robinson, Paul D.; Kolb, Vera M.; Colloton, Patricia A.; Meyers, Cal Y.","First Example of a Crystalline Urazole Nucleoside with an L-Configured Sugar. (1S,2S)-Urazole α-L-Pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1997","53","5","IUC9700003","","10.1107/S0108270197099514","","","0.71069","MoKα","","0.0526","0.0341","","0.1019","","0.0914","","","1.042","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006162","8.467","0.002","11.154","0.002","9.654","0.002","90","","92.24","0.02","90","","911","0.3","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","1α,5α-Dihydroxymanoyl oxide","","- C20 H34 O3 -","- C20 H34 O3 -","- C40 H68 O6 -","2","1","SX1001","Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O.","1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from Satureja gilliesii","Acta Crystallographica Section C","1997","53","5","624","626","10.1107/S0108270197000048","","","0.71073","MoKα","","0.0487","0.038","","0.0441","0.0423","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006167","9.844","0.007","3.901","0.003","17.245","0.015","90","","93.17","0.06","90","","661.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","MTNPH","5-methylthiophenecarboxaldehyde-4-nitrophenylhydrazone monohydrate","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C24 H26 N6 O6 S2 -","2","1","AB1423","Wong, Man Shing; Gramlich, Volker; Pan, Feng; Bosshard, Christian; Günter, Peter","5-Methylthiophene-2-carboxaldehyde 4-Nitrophenylhydrazone‒Water (1/1)","Acta Crystallographica Section C","1997","53","6","757","759","10.1107/S0108270197002552","","","0.71073","MoKα","","0.0943","0.0385","","0.0815","0.0748","","","","0.674","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006192","19.903","0.006","13.757","0.005","10.966","0.004","90","","90.39","0.02","90","","3002.5","1.8","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","Asperchrome A","","","- C41 H92 Fe N9 O30 -","- C41 H92 Fe N9 O30 -","- C82 H184 Fe2 N18 O60 -","2","1","BS1004","Hossain, M. Bilayet; Jalal, Mahbubul A. F.; van der Helm, Dick","6-L-Alanineferrirubin, a Ferrichrome-type Siderophore from the Fungus Aspergillus ochraceous","Acta Crystallographica Section C","1997","53","6","716","718","10.1107/S0108270196015909","","","0.71073","MoKα","","0.0783","0.0648","","0.183","0.1628","","","","1.061","1.079","1.079","","","","","has coordinates","199470","2020-10-21","18:00:00",""
"2006212","7.0923","0.0002","23.1347","0.0005","15.1181","0.0003","90","","94.297","0.001","90","","2473.58","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H50 N2 O20 -","- C51 H50 N2 O20 -","- C102 H100 N4 O40 -","2","1","FG1246","Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A.","2,3-Di-O-benzoyl-1-O-p-nitrophenyl-6-O-pivaloyl-4-O-(3',4',6'-tri-O-acetyl-2'-deoxy-2'-N-phthalimido-β-D-1'-glucopyranosyl)-β-D-glucopyranose","Acta Crystallographica Section C","1997","53","6","742","744","10.1107/S0108270197000097","","","0.71073","MoKα","","0.0602","0.045","","0.1201","0.1028","","","","1.044","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006225","6.257","0.001","15.137","0.003","9.819","0.002","90","","96.56","0.02","90","","923.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 Cl O4 -","- C19 H31 Cl O4 -","- C38 H62 Cl2 O8 -","2","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0336","0.0316","","0.0801","0.0775","","","","1.057","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006236","10.838","0.001","9.347","0.001","13.456","0.001","90","","92.3","0.01","90","","1362","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-5,6-diacetoxy-4-(t-butyldiphenylsilyloxy)-3-hydroxy -4-methylhex-1-en","","- C27 H36 O6 Si -","- C27 H36 O6 Si -","- C54 H72 O12 Si2 -","2","1","NA1274","Lewinski, Krzysztof","(2R,3R,4S)-3-(tert-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-5-ene-1,2-diyl Diacetate","Acta Crystallographica Section C","1997","53","6","753","755","10.1107/S0108270197000498","","","0.71069","MoKα","","0.0345","0.0317","","0.0869","0.0856","","","","1.021","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006251","7.29","0.003","7.926","0.003","14.654","0.004","90","","92.94","0.07","90","","845.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","α-PNM","4'-nitrophenyl-α-D-mannopyranoside","","- C14 H21 N O9 -","- C14.02 H15 N O9.01 -","- C28.04 H30 N2 O18.02 -","2","1","SK1000","Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J.","p-Nitrophenyl α-D-Mannopyranoside Ethanol Solvate","Acta Crystallographica Section C","1997","53","6","811","814","10.1107/S0108270196015776","","","1.5418","CuKα","","0.0682","0.0647","","0.1767","0.1702","","","","1.084","1.087","1.087","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006268","13.453","0.003","10.1847","0.0016","10.2639","0.0018","90","","101.012","0.017","90","","1380.4","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C68 H84 O4 -","2","1","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","1.54056","CopperKα","","0.08","0.08","","0.067","0.067","","","","","7.32","7.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006284","7.389","0.001","16.073","0.003","12.161","0.002","90","","106.1","0.03","90","","1387.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(20S)-6β-methoxy-20-(p-toluenesulfonoxymethyl)-3α,5- cyclo-5α-pregnane","","- C30 H44 O4 S -","- C30 H44 O4 S -","- C60 H88 O8 S2 -","2","1","BM1146","Ketuly, Kamal A.; Yufit, Dmitrii S.; Brooks, Charles J.W.; Freer, Andrew A.","(20S)-6β-Methoxy-20-(p-toluenesulfonyloxymethyl)-3α,5-cyclo-5α-pregnane","Acta Crystallographica Section C","1997","53","7","981","982","10.1107/S0108270197003570","","","0.71069","MoKα","","0.0942","0.0395","","0.119","0.0948","","","","1.025","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006300","6.988","0.001","11.254","0.001","11.48","0.002","90","","102.06","0.01","90","","882.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-4-Androsten-3-one-17β-carboxylic Acid","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","FG1258","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid","Acta Crystallographica Section C","1997","53","7","903","906","10.1107/S0108270197002515","","","0.71073","MoKα","","0.088","0.053","","0.13","0.113","","","","1.02","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006322","9.673","0.008","11.935","0.009","11.478","0.008","90","","105.22","","90","","1278.6","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl3 Mo N2 O4 -","- C23 H28 Cl3 Mo N2 O4 -","- C46 H56 Cl6 Mo2 N4 O8 -","2","1","MU1300","Elias, Horst; Stock, Frank; Röhr, Caroline","A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand","Acta Crystallographica Section C","1997","53","7","862","864","10.1107/S0108270197003375","","","0.7107","MoKα","","0.0391","0.0389","","0.1014","0.101","","","","1.066","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006327","8.8496","0.0013","14.8198","0.0019","8.3661","0.0014","90","","92.221","0.005","90","","1096.4","0.3","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl6 O2 -","- C18 H22 Cl6 O2 -","- C36 H44 Cl12 O4 -","2","1","NA1283","Ülkü, Dinçer; Tahir, M. Nawaz; Demir, Ayhan S.; Akhmedov, Idris, M.; Tanyeli, Cihangir","Configuration of the Diels‒Alder Adduct of Hexachlorocyclopentadiene with L-Menthyl Acrylate","Acta Crystallographica Section C","1997","53","7","899","901","10.1107/S0108270197003533","","","0.71069","MoKα","","","0.049","","","0.056","","","","","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006335","11.735","0.001","9.683","0.001","11.985","0.001","90","","118.87","0.01","90","","1192.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2S-hydroxyphenylethyl)-proline tert-butyl ester","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0354","0.0299","","0.0827","0.0802","","","","1.018","1.067","1.067","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006336","11.456","0.001","9.708","0.001","12.024","0.001","90","","116.79","0.01","90","","1193.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2R-hydroxyphenylethyl)-proline tert-butyl ester.","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0487","0.031","","0.0676","0.0633","","","","0.891","0.992","0.992","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006338","12.041","0.002","10.731","0.002","13.011","0.002","90","","106.49","0.02","90","","1612","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-Epoxy-5β-androstan-17-one'","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","2","SK1084","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4β-Epoxy-5β-androstan-17-one","Acta Crystallographica Section C","1997","53","7","938","940","10.1107/S0108270197002138","","","0.71073","MoKα","","0.0708","0.0383","","0.0958","0.0872","","","","1.027","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006341","8.698","0.003","5.819","0.003","10.032","0.003","90","","107.48","0.03","90","","484.3","0.3","150","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-α-methyl-4-carboxyphenylglycine","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","SX1018","Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C.","Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist","Acta Crystallographica Section C","1997","53","7","909","911","10.1107/S0108270197003223","","","1.54178","CuKα","","0.0502","0.0346","","0.1397","0.0881","","","","1.065","1.001","1.001","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006403","11.786","0.002","5.543","0.001","17.799","0.004","90","","106.16","0.03","90","","1116.9","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Methylthiophenanthrene","","- C15 H12 S -","- C15 H12 S -","- C60 H48 S4 -","4","2","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0948","0.073","","0.2093","0.1811","","","","1.04","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006455","6.9122","0.0006","13.1517","0.0011","7.8098","0.0007","90","","93.324","0.001","90","","708.77","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodobenzaldehyde","","- C7 H5 I O -","- C7 H5 I O -","- C28 H20 I4 O4 -","4","2","BK1329","Britton, Doyle; Young Jr, Victor G.","p-Iodobenzaldehyde","Acta Crystallographica Section C","1997","53","9","1359","1362","10.1107/S0108270197006288","","","0.71073","MoKα","","0.025","0.025","","0.0672","0.0671","","","","1.09","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006481","11.65","0.003","8.53","0.007","26.837","0.003","90","","97.6","0.01","90","","2643","2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 -","- C28 H37 N O5 -","- C112 H148 N4 O20 -","4","2","FG1301","Fu, Tai Y.; Scheffer, John R.; Trotter, James","4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (S)-({-})-Proline","Acta Crystallographica Section C","1997","53","9","1259","1262","10.1107/S0108270197005295","","","1.5418","CuKα","","0.089","0.053","","","","0.149","","","","","","1.66","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006484","12.038","0.002","5.506","0.001","13.087","0.001","90","","94.576","0.009","90","","864.7","0.2","208","","208","","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-2-phenylcyclopropanecarboxylic acid","(+)-trans-(1S,2S)-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","2","FG1312","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-trans-(1S,2S)-2-Phenylcyclopropanecarboxylic Acid at 208K","Acta Crystallographica Section C","1997","53","9","1280","1282","10.1107/S0108270197005660","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.6","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006503","7.875","0.003","24.756","0.01","14.582","0.006","90","","104.26","0.03","90","","2755.2","1.9","126","2","126","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound (1)","13^1^-Deoxo-17-depropionic acid-17-propionyl-phytochlorin","","- C33 H40 N4 -","- C33 H40 N4 -","- C132 H160 N16 -","4","2","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll a","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0824","0.0576","","0.1397","0.1257","","","","1.022","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006516","5.751","0.002","7.718","0.003","12.469","0.004","90","","102.76","0.03","90","","539.8","0.3","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","calcium D-3-phoshoglycerate tetrahydrate","","- C3 H13 Ca O11 P -","- C3 H13 Ca O11 P -","- C6 H26 Ca2 O22 P2 -","2","1","MU1266","Jerzykiewicz, Lucjan B.; Lis, T.","Calcium D-3-Phosphoglycerate Tetrahydrate at 85K","Acta Crystallographica Section C","1997","53","9","1249","1251","10.1107/S0108270197005143","","","0.71069","MoKα","","0.0285","0.0227","","0.0567","0.055","","","","1.076","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006524","8.389","0.001","8.58","0.001","8.934","0.001","90","","93.689","0.002","90","","641.72","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","NA1281","Cole, Jacqueline M.; Howard, Judith A. K.; MacBride, J. A. Hugh","3,5-Dinitro-2-{[(R)-({-})-1-phenylethyl]amino}pyridine","Acta Crystallographica Section C","1997","53","9","1331","1334","10.1107/S0108270197005507","","","0.71073","MoKα","","0.0549","0.0449","","0.1276","0.0971","","","","1.169","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006561","8.981","0.001","10.597","","9.703","0.001","90","","98.76","0.01","90","","912.68","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-D-Tic-NH2","tyrosyl-D-tetrahydroisoquinoline-3-carboxamide","","- C19 H23 N3 O4 -","- C19 H23 N3 O4 -","- C38 H46 N6 O8 -","2","1","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-D-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-D-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0536","0.0484","","0.1408","0.1339","","","","1.044","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006577","9.504","0.003","18.536","0.005","10.305","0.003","90","","112.76","0.02","90","","1674","0.9","295","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[hydridotris(pyrazolyl)borato]-bis[1,1-diphenylhydrazido(2-)]chloromo- lybdenum(VI)","","- C33 H30 B Cl Mo N10 -","- C33 H30 B Cl Mo N10 -","- C66 H60 B2 Cl2 Mo2 N20 -","2","1","FG1296","Carolina Manzur; David Carrillo; Daphne Boys","Chlorobis[1,1'-diphenylhydrazido(2‒)-N^2^][hydridotris(pyrazolyl-N^2^)borato]molybdenum(VI)","Acta Crystallographica Section C","1997","53","10","1401","1403","10.1107/S0108270197007452","","","0.71073","MoKα","","0.037","0.03","","0.075","0.073","","","","1.008","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006578","7.921","0.0009","10.668","0.001","10.728","0.001","90","","94.4","0.01","90","","903.86","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","FG1310","Zukerman-Schpector, J.; Castellano, E.E.; Ceschi, Marco Antonio; Brocksom, Timothy John; Wikaira, Jan L.","Intermediates in the Synthesis of Daphniphyllum Alkaloids. I. A Tetracyclic Oxygen Analogue","Acta Crystallographica Section C","1997","53","10","1482","1483","10.1107/S0108270197005222","","","0.71073","MoKα","","0.092","0.042","","0.117","","0.098","","","1.077","","","1.159","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006579","9.911","0.0015","5.404","0.002","10.0873","0.0013","90","","106.347","0.01","90","","518.4","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl)-1-(R),2-(R)-4-methyl-4- triazolidine-3,5-dione","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C16 H26 N6 O10 -","2","1","FG1326","Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D.","(1R,2R)-4-Methylurazole-α-D-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-D-ribose","Acta Crystallographica Section C","1997","53","10","1502","1505","10.1107/S0108270197007476","","","0.71069","MoKα","","0.0728","0.0383","","0.12","","0.1037","","","1.046","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006618","8.493","0.001","11.253","0.002","11.368","0.002","90","","108.46","0.02","90","","1030.6","0.3","153","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C44 H66 N2 O6 -","2","1","SK1038","Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild","(1R,2S,4S,11S)-4-Isopropyl-1-methyl-2-(α-N-morpholino-3-methoxybenzyl)cyclohexan-3-one","Acta Crystallographica Section C","1997","53","10","1466","1468","10.1107/S0108270197005064","","","0.71073","MoKα","","0.0367","0.0305","","0.0704","0.0686","","","","","0.943","0.943","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006624","9.006","0.002","6.6905","0.0013","10.963","0.002","90","","97.415","0.014","90","","655","0.2","158","","158","","","","","","","","","3","P 1 21 1","P 2yb","4","Aloperine","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine","","- C15 H24 N2 -","- C15 H24 N2 -","- C30 H48 N4 -","2","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.055","0.0383","","0.1015","0.0931","","","","1.076","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006655","7.7208","0.0009","7.7501","0.0009","9.0531","0.001","90","","94.818","0.01","90","","539.8","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-Camphorsulfonimine","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","CF1189","Arindam Chakraborty; Jayanta Kumar Ray; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","(+)-Camphorsulfonylimine","Acta Crystallographica Section C","1997","53","11","1725","1726","10.1107/S010827019701144X","","","0.71073","MoKα","","0.0569","0.0397","","0.0949","0.0895","","","","0.905","0.997","0.997","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006660","11.667","0.002","7.182","0.004","14.337","0.003","90","","97.61","0.02","90","","1190.8","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5β-hydroxy-spirost-2-en-6-one","","- C27 H40 O4 -","- C27 H40 O4 -","- C54 H80 O8 -","2","1","FG1242","Angel Dago Morales; Ramón Pomés Hernández; Francisco Coll Manchado; María Teresa Hechavarría Fonseca; Graciela Punte; Gustavo Echeverría","(25R)-5β-Hydroxyspirost-2-en-6-one","Acta Crystallographica Section C","1997","53","11","1705","1706","10.1107/S0108270197006501","","","0.71069","MoKα","","0.2286","0.0703","","0.3332","0.1754","","","","0.986","0.901","0.901","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006664","7.278","0.004","12.199","0.002","24.494","0.007","90","","91.89","0.03","90","","2173.5","1.4","293","2","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","rac-3,3-bis(carbomethoxy)-18-methoxy-18-oxo-5β,9β,10α-androst-6-en-17-one","","- C24 H32 O7 -","- C24 H32 O7 -","- C96 H128 O28 -","4","2","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a trans-trans-trans 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.0626","0.0599","","0.179","0.1749","","","","1.062","1.068","1.068","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006686","7.712","0.001","11.52","0.001","12.721","0.001","90","","94.86","0.01","90","","1126.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-[1,1']binaphthalenyl-2-yl)propanimidate","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C56 H54 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(E)-2-Buten-1-yl (S)-N-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (E)-2-Buten-1-yl (S)-N-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0398","0.0364","","0.1093","0.1054","","","","1.049","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006687","7.786","0.001","17.431","0.001","8.749","0.001","90","","98.24","0.01","90","","1175.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-3-methyl-[1,1']binaphthalenyl-2-yl)- propanimidate","","- C29 H29 N O2 -","- C29 H29 N O2 -","- C58 H58 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(E)-2-Buten-1-yl (S)-N-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (E)-2-Buten-1-yl (S)-N-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0325","0.0314","","0.095","0.0904","","","","1.066","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006693","13.603","0.001","8.383","0.001","12.198","0.001","90","","97.66","0.01","90","","1378.6","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis-(4-benzylpiperidinium) Tetrachloromercurate","","- C24 H36 Cl4 Hg N2 -","- C24 H36 Cl4 Hg N2 -","- C48 H72 Cl8 Hg2 N4 -","2","1","JZ1221","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(4-benzylpiperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","11","1566","1568","10.1107/S0108270197008500","","","0.7107","MoKα","","0.047","0.04","","0.042","","0.04","","","1.42","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006711","6.61","0.002","11.371","0.001","14.683","0.001","90","","91.73","0.01","90","","1103.1","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","trihydrate 1/1 salt between ((R)-3-Hydroxy-4-trimethylammonio)butiramide and ((1R,3S)-1,2,2-Trimethyl-1,3-cyclopentane dicarboxylic acid)","","- C17 H38 N2 O9 -","- C17 H31 N2 O9 -","- C34 H62 N4 O18 -","2","1","NA1264","De Santis, Pasquale; Camalli, Mercedes; Spagna, Riccardo; Gallo, G.; Giorgi, F.; Tinti, M.O.","Trihydrate 1/1 Salt Between (R)-Carnitine Amide and (1R,3S)-Camphoric Acid","Acta Crystallographica Section C","1997","53","11","1679","1682","10.1107/S0108270197007178","","","1.54178","CuKα","","","0.059","","","0.081","","","","","0.995","0.995","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006717","6.398","0.002","23.965","0.001","14.687","0.005","90","","95.3","0.03","90","","2242.3","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,6'-di-t-butylcarbonyloxy-2-carbométhoxy-4-méthylènecyclooctanone.","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","2","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0447","0.0403","","0.1175","0.1128","","","","1.027","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006723","9.4775","0.0001","11.1589","0.0002","10.7089","0.0002","90","","111.505","0.001","90","","1053.71","0.03","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Triphenyl-1,2,5,6-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","QB0017","Bolte, Michael","Ethyl 2,4,6-Triphenyl-1,2,5,6-tetrahydropyrimidine-5-carboxylate at 173K","Acta Crystallographica Section C","1997","53","11","IUC9700020","","10.1107/S0108270197099332","","","0.71073","MoKα","","0.0352","0.0349","","0.0888","0.0885","","","","1.076","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006734","8.892","0.002","11.261","0.003","16.681","0.005","90","","93.7","0.02","90","","1666.8","0.8","293","2","","","","","","","","","","3","P 1 21 1","","","1-Hydroxybaccatin I","","","- C32 H44 O14 -","- C32 H44 O14 -","- C64 H88 O28 -","2","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0577","","","0.1507","","","","","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006760","6.391","0.006","13.795","0.006","13.967","0.008","90","","100.17","0.06","90","","1212","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-O-isopropylidene-3,5-di-O-p-tosyl-α-D-xylofuranose","","- C22 H26 O9 S2 -","- C22 H26 O9 S2 -","- C44 H52 O18 S4 -","2","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-O-Isopropylidene-α-D-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71069","MoKα","","0.1396","0.0605","","0.1149","0.098","","","","0.968","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006766","9.615","0.002","9.102","0.002","15.933","0.003","90","","91.13","0.03","90","","1394.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-ethyl Benzhydrylamine Hydrochloride","","- C15 H18 Cl N -","- C15 H18 Cl N -","- C60 H72 Cl4 N4 -","4","2","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","N-Methyl- and N-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.1071","0.0523","","0.1163","0.0913","","","","1.033","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006808","6.62","0.003","11.322","0.003","12.297","0.003","90","","103.52","0.03","90","","896.1","0.5","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7-(1'-2-hydroxypropyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-enyl p-methoxy benzoate","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C38 H48 O8 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.1169","0.0538","","0.232","0.14","","","","1.128","1.192","1.192","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006813","7.3743","0.0009","6.6684","0.0007","14.1803","0.0011","90","","95.074","0.009","90","","694.58","0.12","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","(5aS,7S)-7-Isopropenyl-3-methyl-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","FG1352","Hua, Duy H.; Chen, Yi; Robinson, Paul D.; Meyers, Cal Y.","(5aS,7S)-7-Isopropenyl-3-methyl-5a,6,8,9-tetrahydro-1H,7H-pyrano[4,3-b][1]benzopyran-1-one","Acta Crystallographica Section C","1997","53","12","1995","1997","10.1107/S0108270197011220","","","0.71069","MoKα","","0.1022","0.0378","","0.1151","","0.0891","","","1.026","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006848","13.237","0.003","8.309","0.002","13.954","0.004","90","","104.17","0.03","90","","1488.1","0.7","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethylammonium Di(benzenesulfonyl)amide: 1,4,7,10,13,16-Hexaoxacyclooctadecane (1:1)","","- C26 H42 N2 O10 S2 -","- C26 H42 N2 O10 S2 -","- C52 H84 N4 O20 S4 -","2","1","LN1011","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1997","53","12","1875","1877","10.1107/S010827019701007X","","","0.71073","MoKα","","0.0341","0.0311","","0.0796","0.0756","","","","1.042","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006861","13.48","0.002","11.459","0.003","15.89","0.003","90","","90.37","0.02","90","","2454.4","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2'-S-hydroxypropyl)-N,N'-bis(3,5-dichlorobenzoyl)-1R,2R-diami- nocyclohexane","","- C23 H24 Cl4 N2 O3 -","- C23 H24 Cl4 N2 O3 -","- C92 H96 Cl16 N8 O12 -","4","2","NA1272","Cirilli, Roberto; Gaparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio","The Chiral Selector N-(2'-S-Hydroxypropyl)-N,N'-bis(3,5-dichlorobenzoyl)-1R,2R-diaminocyclohexane","Acta Crystallographica Section C","1997","53","12","1937","1939","10.1107/S0108270197008068","","","1.5458","CuKα","","0.1415","0.088","","0.3335","0.2162","","","","1.15","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006867","9.075","0.001","11.282","0.002","9.191","0.001","90","","108.37","","90","","893.1","0.2","295","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","(2‒aminoethanesulfonato‒N,O)bis(ethylenediamine)‒Cobalt(III) perchlorate","","- C6 H22 Cl2 Co N5 O11 S -","- C6 H22 Cl2 Co N5 O11 S -","- C12 H44 Cl4 Co2 N10 O22 S2 -","2","1","OA1028","Murata, Mayumi; Masaaki Kojima; Masakazu Kita; Setsuo Kashino; Yuzo Yoshikawa","A Stable Sulfonato‒Cobalt(III) Complex: Δ-[Co{OS(O)~2~CH~2~CH~2~NH~2~-N,O}(en)~2~](ClO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1761","1762","10.1107/S0108270197010032","","","0.71073","MoKα","","","0.029","","","0.028","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006869","6.041","0.0001","9.9354","0.0001","18.3966","0.0003","90","","91.197","0.001","90","","1103.92","0.03","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2,4-diphenyl-5-hydroxy-5-propionyl-3-imidazoline","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C50 H44 N4 O8 -","2","1","QA0016","Bolte, Michael","1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline","Acta Crystallographica Section C","1997","53","12","IUC9700027","","10.1107/S0108270197099290","","","0.71073","MoKα","","0.0542","0.0442","","0.1092","0.1039","","","","1.115","1.148","1.148","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006870","5.9054","0.0008","9.2686","0.0007","15.946","0.002","90","","97.138","0.006","90","","866.04","0.17","143","","143","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl- 3-hydroxy-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C36 H54 N2 O6 -","2","1","QA0017","Bolte, Michael","(+)-(2S,3S,4S,5S)-2-Benzyl-N-(tert-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K","Acta Crystallographica Section C","1997","53","12","IUC9700028","","10.1107/S0108270197099289","","","0.71073","MoKα","","0.0369","0.0362","","0.0975","0.097","","","","1.052","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006871","11.1376","0.0004","11.3443","0.0004","13.2368","0.0004","90","","109.884","0.001","90","","1572.74","0.09","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","S~S~-N(1S),2S,3R,4R,5R-N-[(1-Hydroxymethyl)-2-(methylpropyl)]-3- hydroxy-4-methyl-5-(4-methylphenylsulfonimidoylmethyl)-1-(4- methylphenylsulfonyl)-2-(phenylmethyl)-pyrrolidine","","- C32 H42 N2 O5 S2 -","- C32 H42 N2 O5 S2 -","- C64 H84 N4 O10 S4 -","2","1","QA0019","Bolte, Michael","(2S,3R,4R,5R,SS)-2-Benzyl-3-hydroxy-5-{N-[(S)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-4-methyl-1-(4-methylphenylsulfonyl)pyrrolidine at 140K","Acta Crystallographica Section C","1997","53","12","IUC9700029","","10.1107/S0108270197099277","","","0.71073","MoKα","","0.0652","0.0437","","0.095","0.0849","","","","1.055","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006886","18.965","0.002","7.522","0.002","8.794","0.001","90","","101.13","0.01","90","","1230.9","0.4","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O10 -","- C23 H30 N2 O10 -","- C46 H60 N4 O20 -","2","1","TA1149","Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu","({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist","Acta Crystallographica Section C","1997","53","12","1887","1889","10.1107/S0108270197009918","","","1.5418","CuKα","","0.0843","0.0662","","0.0886","0.0811","","","","1.307","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006895","8.665","0.003","16.681","0.002","13.673","0.004","90","","98.49","0.03","90","","1954.7","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate","","- C11 H27 Cl2 N5 Ni O8 -","- C11 H27 Cl2 N5 Ni O8 -","- C44 H108 Cl8 N20 Ni4 O32 -","4","2","TA1177","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","(1,4,7,11,13-Pentaazacyclohexadecane-κ^5^N)(perchlorato-κO)nickel(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1778","1780","10.1107/S0108270197011141","","","0.7093","MoKα","","0.088","0.066","","0.157","0.142","","","","0.848","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006906","11.48","0.005","8.114","0.003","11.882","0.004","90","","107.68","0.03","90","","1054.5","0.7","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","O-Phospho-L-tyrosine","","- C9 H12 N O6 P -","- C9 H11.5 N O6 P -","- C36 H46 N4 O24 P4 -","4","2","BS1022","Suga, Tamami; Inubushi, Chika; Okabe, Nobuo","O-Phospho-L-tyrosine","Acta Crystallographica Section C","1998","54","1","83","85","10.1107/S0108270197009827","","","0.71069","MoKα","","","0.121","","","0.13","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006922","10.7794","0.001","7.8301","0.0008","11.8317","0.0012","90","","97.505","0.008","90","","990.09","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Amino-1-phenylsulfonyl-pyrazolin-3-one","","- C9 H9 N3 O3 S -","- C9 H9 N3 O3 S -","- C36 H36 N12 O12 S4 -","4","2","FG1382","Elgemeie, Galal E.H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.","5-Amino-1-phenylsulfonyl-4-pyrazolin-3-one","Acta Crystallographica Section C","1998","54","1","136","138","10.1107/S0108270197012420","","","0.71073","MoKα","","0.0417","0.0328","","0.0839","0.081","","","","1.04","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006927","9.279","0.001","17.633","0.002","15.505","0.001","90","","106.35","0.01","90","","2434.3","0.4","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 Co N6 O4 -","- C22 H29 Co N6 O4 -","- C88 H116 Co4 N24 O16 -","4","2","FR1066","Gage, Jennifer L.; Weakley, Timothy J.R.; Branchaud, Bruce P.","Bis[2,3-butanedione dioximato(1‒)-N,N'](pyridine){[(R)-5,6,7,8-tetrahydro-8-indolizinyl]methyl}cobalt(III)","Acta Crystallographica Section C","1998","54","1","22","24","10.1107/S0108270197012663","","","0.71073","MolybdenumKα","","0.06","0.039","","","","0.082","","","","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006944","6.358","0.005","10.463","0.005","12.842","0.005","90","","94.57","0.05","90","","851.6","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C32 H52 N4 O6 -","2","1","NA1318","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Lanaspa, Ana","Chiral Hydroxylamines. V. (2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine","Acta Crystallographica Section C","1998","54","1","85","86","10.1107/S0108270197013267","","","0.71069","MoKα","","0.073","0.0505","","0.1481","0.1292","","","","1.025","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006949","20.913","0.007","10.868","0.008","12.03","0.01","90","","100.45","0.04","90","","2689","3","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4,6-dibromo-o-tolyl)-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinoline- 2,4(3H,10H)-dione","","- C29 H27 Br2 N3 O3 -","- C29 H27 Br2 N3 O3 -","- C116 H108 Br8 N12 O12 -","4","2","OA1036","Yasushi Kawai; Jun Kunitomo; Atsuyoshi Ohno","First Determination of the Absolute Configuration of an Atropisomeric Flavin Derivative","Acta Crystallographica Section C","1998","54","1","77","79","10.1107/S0108270197013838","","","0.71069","MoKα","","0.052","0.034","","0.066","0.052","","","","0.828","0.862","0.862","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006981","10.88","0.004","8.875","0.003","11.845","0.005","90","","100.89","0.06","90","","1123.2","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H26 N O4 -","- C54 H52 N2 O8 -","2","1","AB1492","Nastopoulos, Vassilios; Athanassopoulos, Constantinos; Papaioannou, Dionissios; Francis, George W.; Kavounis, Constantin; (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","(S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1998","54","2","267","269","10.1107/S0108270197009128","","","0.71069","MoKα","","0.084","0.061","","0.158","","0.142","","","1.079","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006984","4.8789","0.001","15.011","0.003","9.2835","0.0019","90","","99.46","0.03","90","","670.7","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Keto[14]aneS~4~","1,4,8,11-Tetrathiacyclotetradecan-6-one","","- C10 H18 O S4 -","- C10 H18 O S4 -","- C20 H36 O2 S8 -","2","1","AB1526","Blake, Alexander J.; Li, Wan-Sheung; Sutton, Liam R.; Schröder, Martin","1,4,8,11-Tetrathiacyclotetradecan-6-one","Acta Crystallographica Section C","1998","54","2","245","247","10.1107/S0108270197017423","","","0.71073","MoKα","","0.0218","0.0204","","","","0.0519","","","","","","1.111","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007009","4.7","0.001","5.0228","0.0008","10.8995","0.0006","90","","90","0.01","90","","257.31","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","3-aminopyrazole-4-carboxylic acid","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C8 H10 N6 O4 -","2","1","FG1359","Dobson, Allison J.; Gerkin, Roger E.","Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","2","253","256","10.1107/S0108270197013115","","","0.71073","MoKα","","","0.04","","","","0.082","","","","","","3.57","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007036","14.407","0.001","8.425","0.001","11.777","0.001","90","","100.93","0.01","90","","1403.5","0.2","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","dichloro{(S,S)-trans-diphenyl[(2- diphenylphosphinyl)cyclohexyl]phosphinicacidester}palladium(II)","","- C30 H30 Cl2 O P2 Pd -","- C30 H30 Cl2 O P2 Pd -","- C60 H60 Cl4 O2 P4 Pd2 -","2","1","SK1135","Thurner, C. L.; Barz, M.; Spiegler, M.; Thiel, W. R.","Ligands with Cycloalkane Backbones. IV. Dichloro{(S,S)-trans-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II)","Acta Crystallographica Section C","1998","54","2","227","228","10.1107/S0108270197013231","","","0.71073","MoKα","","0.0258","0.0237","","","0.0634","0.0658","","","1.111","1.124","1.124","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007075","8.7286","0.0006","8.0635","0.0006","12.261","0.0009","90","","105.79","0.001","90","","830.4","0.1","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(-)-sparteine copper(II) chloride","","","- C15 H26 Cl2 Cu N2 -","- C15 H26 Cl2 Cu N2 -","- C30 H52 Cl4 Cu2 N4 -","2","1","FG1370","Lopez, Susan; Muravyov, Igor; Pulley, Shon R.; Keller, Steven W.","Dichloro[({-})-sparteine-N,N']copper(II)","Acta Crystallographica Section C","1998","54","3","355","357","10.1107/S0108270197015886","","","0.7107","MoKα","","0.0487","0.0414","","","","0.0994","","","0.979","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007118","12.335","0.003","14.052","0.001","13.492","0.003","90","","91.68","0.01","90","","2337.6","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-1-[(2R,4R,5S)-5-Phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl] -indan-2-one","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C104 H100 N4 O16 S4 -","4","2","QA0029","Berger, Bernd; Bolte, Michael","(1R)-1-[(2R,4R,5S)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one","Acta Crystallographica Section C","1998","54","3","IUC9800006","","10.1107/S010827019809979X","","","1.5418","CuKα","","0.0311","0.0302","","","","0.0828","","","","","","1.058","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007125","6.973","0.001","7.678","0.001","14.472","0.001","90","","92.83","0.003","90","","773.87","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-(αS,1S,2R)-2-methyl-1(α-methylbenzylamino)-cyclohexanecarboxamide","","- C16 H24 N2 O -","- C16 H24 N2 O -","- C32 H48 N4 O2 -","2","1","SK1153","Volk, Franz-Josef; Mattern, Günter; Weckert, Edgar; Frahm, August W.","The Absolute Configuration of cis-(αS,1S,2R)-2-Methyl-1-(α-methylbenzylamino)cyclohexanecarboxamide","Acta Crystallographica Section C","1998","54","3","387","389","10.1107/S0108270197013917","","","0.71073","MoKα","","0.0361","0.0361","","0.0387","0.0387","","","","1.16","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007127","14.714","0.001","11.001","0.001","14.736","0.002","90","","118.527","0.008","90","","2095.7","0.4","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","2","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0504","0.0478","","","","0.1329","","","","","","1.045","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007128","11.5461","0.0011","12.2484","0.0007","7.169","0.005","90","","102.487","0.004","90","","989.9","0.7","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((1R,2S,4R,5S)-exo-2-acetoxy-3,3-dimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0438","0.043","","","","0.1088","","","","","","1.084","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007130","15.58","0.001","12.889","0.001","6.236","0.0001","90","","99.051","0.004","90","","1236.66","0.13","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((1S,2S,4R,5R,6S)-exo-2-acetoxy-endo-6-(3-butenyl)-3,3,exo-6- trimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.5418","CuKα","","0.0505","0.0491","","","","0.1298","","","","","","1.081","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007186","9.337","0.008","7.597","0.004","9.321","0.006","90","","104.46","0.07","90","","640.2","0.8","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","","L-histidinol phosphate tetrahydrate","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","MU1353","Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo","L-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K","Acta Crystallographica Section C","1998","54","4","559","561","10.1107/S0108270197016776","","","0.71073","MoKα","","0.038","0.027","","0.069","0.065","","","","1.104","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007187","9.359","0.007","7.621","0.003","9.367","0.006","90","","104.31","0.06","90","","647.4","0.7","240","1","240","1","","","","","","","","5","P 1 21 1","P 2yb","4","","L-histidinol phosphate tetrahydrate","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","MU1353","Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo","L-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K","Acta Crystallographica Section C","1998","54","4","559","561","10.1107/S0108270197016776","","","0.71073","MoKα","","0.0579","0.0311","","0.0865","0.0778","","","","1.048","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007214","9.7509","0.0005","10.3005","0.0008","19.5609","0.0013","90","","101.937","0.005","90","","1922.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H56 O12 -","- C40 H56 O12 -","- C80 H112 O24 -","2","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","0.71073","Molybdenum","","0.0549","0.0379","","0.0939","0.0829","","","","1.036","1.082","1.082","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007257","6.163","0.001","10.199","0.009","14.14","0.009","90","","94.112","0.009","90","","886.5","1","298","","","","","","","","","","","5","P 1 21 1","","","","L-leucine 2,5-dimethylbenzenesulfonate monohydrate","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C28 H50 N2 O12 S2 -","2","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between L-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.049","","","0.06","","","","","3.729","3.729","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2007259","5.264","0.003","10.084","0.004","24.758","0.003","90","","93.02","0.04","90","","1312.4","0.9","298.2","","298.2","","","","","","","","","4","P 1 21 1","P 2yb","4","1-phenyl-1,2,3,4-tetrahydroisoquinolinine monohydrochloride","","","- C15 H16 Cl N -","- C15 H16 Cl N -","- C60 H64 Cl4 N4 -","4","2","OA1027","Nakahara, Hideaki; Takeuchi, Makoto; Naito, Ryo; Kurihara, Hiroyuki; Nagano, Noriaki; Isomura, Yasuo; Mase, Toshiyasu","Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride","Acta Crystallographica Section C","1998","54","5","651","653","10.1107/S0108270197018581","","","1.54184","CuKα","","","0.059","","","0.077","","","","","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007279","10.062","0.001","16.307","0.001","11.398","0.002","90","","97.83","0.01","90","","1852.8","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2,7,7-Bis(pentamethylene)-dibenzo[c;e]-dihydro-oxepin","","- C24 H28 O -","- C24 H28 O -","- C96 H112 O4 -","4","2","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0473","0.0392","","","","0.0907","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007310","7.269","0.001","8.03","0.002","11.055","0.002","90","","103.76","0.03","90","","626.8","0.2","293","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R*,2R*,4R*,5S*,1'E)-1,2,4-trichloro-5-(2'-chloroethenyl-1,5- dimethylcyclohexane)","","- C10 H14 Cl4 -","- C10 H14 Cl4 -","- C20 H28 Cl8 -","2","1","BS1027","Rivera, Patricio; Manríquez, Victor; Wittke, Oscar","Absolute Configuration of a Tetrachloro Monoterpene from Plocamium cartilagineum","Acta Crystallographica Section C","1998","54","6","816","818","10.1107/S0108270197017976","","","0.71073","MoKα","","0.0266","0.0258","","0.0724","0.0713","","","","1.09","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007314","8.7829","0.0007","9.622","0.002","9.8535","0.0011","90","","92.948","0.008","90","","831.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(tert-Butoxycarbonyl)-3-Amino-4-(Trimethylstannyl)pyridine","","- C13 H22 N2 O2 Sn -","- C13 H22 N2 O2 Sn -","- C26 H44 N4 O4 Sn2 -","2","1","CF1218","Crous, Renier; Holzapfel, Cedric W.; Kruger, Gert J.","[3-(tert-Butoxycarbonylamino)-4-pyridyl]trimethyltin(IV), a Tetraorganotin Compound Containing an Unexpected Intramolecular Sn···O Interaction","Acta Crystallographica Section C","1998","54","6","760","762","10.1107/S0108270197017459","","","0.7107","MoKα","","0.0278","0.0269","","","","0.0691","","","","","","1.114","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007331","9.938","0.004","11.876","0.005","13.611","0.005","90","","91.96","0.01","90","","1605.5","1.1","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","14-O-Benzoyl-8-methoxy- and 14-O-Benzoyl-8-ethoxy- Bikhaconines","[1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-methoxy 14-benzoate and [1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-ethoxy 14-benzoate.","","- C33.35 H47.7 N O8 -","- C33.35 H47.7 N O8 -","- C66.7 H95.4 N2 O16 -","2","1","FG1415","Parvez, Masood; Gul, Waseem; Anwar, Saeed","14-O-Benzoyl-8-ethoxybikhaconine and 14-O-Benzoyl-8-methoxybikhaconine","Acta Crystallographica Section C","1998","54","6","790","792","10.1107/S0108270198000171","","","1.54178","CuKα","","0.067","0.062","","0.171","0.161","","","","1.009","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007333","12.698","0.003","5.6022","0.0011","21.041","0.004","90","","106.387","0.004","90","","1436","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-cyano-4'-(4R-5-epoxypentyloxy)biphenyl","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","2","FG1424","Clegg, William; Coles, Simon J.; Fallis, Ian A.; Griffiths, Paul M.; Teat, Simon J.","4-Cyano-4'-[(4R)-4,5-epoxypentyloxy]biphenyl: a Pseudosymmetry Problem Solved with Synchrotron Data","Acta Crystallographica Section C","1998","54","6","882","885","10.1107/S0108270197020027","","","0.6956","Synchrotron","","0.058","0.046","","","","0.133","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007359","11.218","0.002","7.991","0.002","15.202","0.002","90","","94.95","0.01","90","","1357.7","0.5","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(dimethylglyoximato)[(R)-1-methoxycarbonylethyl] (tricyanoethylphosphine)cobalt(III)","","- C21 H33 Co N7 O6 P -","- C21 H33 Co N7 O6 P -","- C42 H66 Co2 N14 O12 P2 -","2","1","NA1314","Arai, Yoshifusa; Hashizume, Daisuke; Kogo, Hidenori; Ohashi, Yuji; Ohgo, Yoshiaki","Bis(dimethylglyoximato-N,N')[methyl (R)-ethanoato-C^2^][tris(2-cyanoethyl)phosphine-P]cobalt(III)","Acta Crystallographica Section C","1998","54","6","739","741","10.1107/S0108270197020192","","","0.71069","MoKα","","0.043","0.035","","0.095","0.09","","","","1.05","1.07","1.07","","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007381","10.693","0.001","8.446","0.001","11.992","0.001","90","","101.268","0.005","90","","1062.16","0.18","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl (3S)-2-acetyl-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl- (phenylsulfonyl) pentanoate","","- C20 H28 O8 S -","- C20 H28 O8 S -","- C40 H56 O16 S2 -","2","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.032","0.03","","","","0.077","","","","","","1.083","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007384","7.554","0.0008","7.3473","0.0006","11.8146","0.0011","90","","107.148","0.008","90","","626.58","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","desmethyl selegiline","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C24 H32 Cl2 N2 -","2","1","SX1040","Simon, Kálmán; Harmat, Veronika; Hermecz, István","Isostructural Metabolites of Two Anti-Parkinson Drugs","Acta Crystallographica Section C","1998","54","6","811","813","10.1107/S0108270197019896","","","1.54178","CuKα","","0.095","0.077","","0.256","0.218","","","","1.156","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007385","7.481","0.002","7.447","0.002","11.8743","0.0009","90","","107.48","0.009","90","","631","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","p-fluoro-dezmethyl-selegiline","","","- C12 H15 Cl F N -","- C12 H15 Cl F N -","- C24 H30 Cl2 F2 N2 -","2","1","SX1040","Simon, Kálmán; Harmat, Veronika; Hermecz, István","Isostructural Metabolites of Two Anti-Parkinson Drugs","Acta Crystallographica Section C","1998","54","6","811","813","10.1107/S0108270197019896","","","1.54178","CuKα","","0.078","0.06","","0.184","0.166","","","","1.108","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007425","8.57","0.002","12.4127","0.0015","14.549","0.002","90","","106.502","0.015","90","","1483.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","sp-(R)-9-(o-t-Butylphenyl)-9-fluorenol-2-N- [(S)-α-methylbenzyl]carboamide^.^Acetone","","- C35 H37 N O3 -","- C35 H37 N O3 -","- C70 H74 N2 O6 -","2","1","FG1426","Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.","sp-(R)-9-(o-tert-Butylphenyl)-9-hydroxy-N-[(S)-α-methylbenzyl]fluorene-2-carboxamide‒Acetone: a Novel 1:1 Cavitate","Acta Crystallographica Section C","1998","54","7","1013","1016","10.1107/S0108270198001280","","","0.71069","MoKα","","0.1349","0.0381","","0.1256","","0.0922","","","1.012","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007447","8.387","0.001","12.511","0.002","11.806","0.003","90","","96.11","0.02","90","","1231.8","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","dichloro(1,4,7-trithiacyclodecane)platinum","","","- C7 H14 Cl2 Pt S3 -","- C7.5 H17 Cl2 Pt S3.5 -","- C30 H68 Cl8 Pt4 S14 -","4","2","KA1253","Lee, Gene-Hsiang","Platinum Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1998","54","7","906","909","10.1107/S0108270197014509","","","0.71073","MoKα","","0.069","0.041","","0.042","0.041","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007458","8.664","0.001","10.64","0.002","8.822","0.001","90","","108.38","0.01","90","","771.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cis,anti-7-phenyl-7a,8,9,10a-tetrahydro-6H,7H-furo[3',2':5,6]pyrano[3,2-c][1] benzopyran-6-one","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.074","0.041","","0.088","0.074","","","","1.114","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007481","9.755","0.002","7.43","0.002","11.255","0.002","90","","99.8","0.1","90","","803.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methanediyl bis(N,N-diethyldithiocarbamate).","","- C11 H22 N2 S4 -","- C11 H22 N2 S4 -","- C22 H44 N4 S8 -","2","1","SK1097","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","A New Bis(dithioester): Methanediyl Bis(N,N-diethyldithiocarbamate), Derived from cis-Dichlorobis(N,N-diethyldithiocarbamato-S,S')tin(IV)","Acta Crystallographica Section C","1998","54","7","1040","1042","10.1107/S0108270198000924","","","0.71073","MoKα","","0.051","0.029","","0.076","0.069","","","","0.975","1.01","1.01","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007486","9.68","0.003","17.611","0.004","10.076","0.002","90","","116.96","0.02","90","","1531","0.7","178","2","178","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R)-Cyclopentane-1,2-diyl-bis[(4'S,5'S)-4',5'-diisopropoxycarbonyl- 1'3',2'-dioxaphospholane]","","- C25 H40 O12 P2 -","- C25 H40 O12 P2 -","- C50 H80 O24 P4 -","2","1","SK1170","Dahlenburg, Lutz; Kaunert, Anja","Chiral Bisphosphanes. IV. Tetraisopropyl 2,2'-[(1R,2R)-Cyclopentane-1,2-diyl]bis[(4S,5S)-1,3,2-dioxaphospholane-4,5-dicarboxylate]","Acta Crystallographica Section C","1998","54","7","1016","1017","10.1107/S010827019800119X","","","0.71069","MoKα","","0.0587","0.0526","","0.1414","","0.1399","","","1.051","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007515","7.3793","0.0009","12.917","0.004","10.2713","0.0013","90","","109.407","0.011","90","","923.4","0.3","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-hydroxy-2-phenylbutanamidinium (R)-mandelate","(S)-2-Hydroxy-2-phenylbutanamidinium (R)-2-Hydroxy-2-phenylethanoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","FG1392","Barnes, John C.; Weakley, Timothy J.R.","Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (S)-2-Hydroxy-2-phenylbutanamidinium (R)-2-Hydroxy-2-phenylethanoate","Acta Crystallographica Section C","1998","54","8","1170","1173","10.1107/S010827019800239X","","","0.71073","MoKα","","0.059","0.037","","","","0.107","","","","","","1.111","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007534","9.783","0.002","11.91","0.001","10.395","0.002","90","","99.11","0.01","90","","1195.9","0.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S)-3-Phenyl-2-[(2S,4S)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl] cyclopentanone","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","JZ1271","Berger, Bernd; Bolte, Michael","(2R,3S)-3-Phenyl-2-[(2S,4S)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl]cyclopentanone","Acta Crystallographica Section C","1998","54","8","1106","1107","10.1107/S0108270198002169","","","1.5418","CuKα","","0.032","0.032","","0.086","0.086","","","","1.071","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007540","6.1373","0.0006","8.979","0.002","13.3554","0.001","90","","96.88","0.005","90","","730.67","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C36 H28 Br2 N2 O2 -","2","1","KA1275","Elmali, Ayhan; Elerman, Yalc̨in; Kendi̇, Engin","N-(2-Bromo-4-methylphenyl)naphthaldimine","Acta Crystallographica Section C","1998","54","8","1137","1139","10.1107/S0108270198002893","","","0.71069","MoKα","","0.07","0.044","","","","0.094","","","","","","1.254","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007544","11.9932","0.0003","19.667","0.001","12.9428","0.0007","90","","117.471","0.004","90","","2708.6","0.2","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(-)-(2S)-5-(4-Fluorophenyl)-1,8-dimethyl-2-(p-toluoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride Methyl isobutyl ketone solvate","","- C29 H33 Cl F N3 O1.5 -","- C29 H33 Cl F N3 O1.5 -","- C116 H132 Cl4 F4 N12 O6 -","4","2","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2S)-Tifluadom Hydrochloride and Two of its ({-})-(2S)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.038","0.037","","0.105","","0.105","","","1.084","","","1.084","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007546","6.524","0.001","7.412","0.001","16.875","0.003","90","","93.72","0.03","90","","814.3","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C40 H48 O6 -","2","1","NA1351","Kuhl, Alexander; Kornath, Andreas; Preut, Hans; Kreiser, Wolfgang","17β-Hydroxymethyl-3-methoxy-19,21-dinorestra-1,3,5(10)-trieno-18,20-lactone","Acta Crystallographica Section C","1998","54","8","1115","1117","10.1107/S0108270198003047","","","0.71069","MoKα","","0.099","0.042","","0.112","0.082","","","","0.856","0.923","0.923","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007557","6.4346","0.0012","9.837","0.002","13.116","0.002","90","","90.59","0.02","90","","830.2","0.3","158","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,5S)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C34 H50 N2 O6 -","2","1","QB0045","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2S,3R,5S)-2-Benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K","Acta Crystallographica Section C","1998","54","8","IUC9800039","","10.1107/S0108270198099429","","","0.71073","Mo-Kα","","0.0952","0.0607","","","","0.1037","","","","","","1.47","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007567","10.564","0.005","6.268","0.002","15.878","0.006","90","","107.94","0.02","90","","1000.2","0.7","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C42 H46 N6 O14 -","2","1","SK1178","Carl Epple; Christian Leumann; Helen Stoeckli-Evans","(1'S,5'S,6'R,8'S)-1-[(6'-Acetoxy-8'-hydroxy-2'-oxabicyclo[3.2.1]oct-5'-yl)oxymethyl]-N^4^-benzoylcytosine","Acta Crystallographica Section C","1998","54","8","1141","1143","10.1107/S010827019800184X","","","0.71073","MoKα","","0.0726","0.0473","","","","0.1458","","","","","","0.912","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007637","9.847","0.003","10.242","0.003","10.866","0.003","90","","101.4","0.04","90","","1074.2","0.6","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6'-dimethoxy-1',2'α,3'β,4'-tetrahydroquinolino[3',2':16,17]estra-1,3,5(10)- triene","","- C27 H33 N O2 -","- C27 H33 N O2 -","- C54 H66 N2 O4 -","2","1","KA1260","Bes, M. Teresa; Usón, Isabel; Pelikán, Szilvia; Tietze, Lutz F.; Frank, Éva; Schneider, Gyula","A Hexacyclic Estrone Derivative","Acta Crystallographica Section C","1998","54","9","1341","1343","10.1107/S0108270198002881","","","0.71073","MoKα","","0.037","0.036","","0.102","0.101","","","","1.016","1.015","1.015","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007669","9.9403","0.0006","25.4021","0.0014","10.587","0.0005","90","","91.808","0.005","90","","2671.9","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S,5R)-(-)-2-(1H-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C112 H136 N24 O8 -","8","4","SK1179","Gallagher, John F.; Briody, John M.; Cantwell, Brendan P.","N—H···N Hydrogen Bonding in the Four Independent Molecules of (2S,4S,5R)-({-})-2-(1H-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine, with C-H···π~arene~, C-H···O and C-H···π~C=C~ Interactions","Acta Crystallographica Section C","1998","54","9","1331","1335","10.1107/S0108270198004089","","","0.71073","MoKα","","0.068","0.038","","","","0.088","","","","","","1.009","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007670","6.189","0.001","10.614","0.001","16.16","0.001","90","","100.993","0.004","90","","1042.1","0.2","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-phenyl-1-[(2S)-(3,5-dinitrobenzoyloxy)-propyl]-(2R)-methyl cyclopentane","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","SK1180","Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy","Dinitrobenzoate Derivative of a Chiral Arylcyclopentane","Acta Crystallographica Section C","1998","54","9","1353","1355","10.1107/S0108270198004090","","","1.54178","CuKα","","0.045","0.044","","","","0.116","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007672","15.638","0.003","8.65","0.002","15.778","0.002","90","","98.503","0.014","90","","2110.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","16α-Chloro-16β-cyano-3-methoxy-14,17α-ethenoestra-1,3,5(10)- trien-17β-yl Acetate","","- C24 H26 Cl N O3 -","- C24 H26 Cl N O3 -","- C96 H104 Cl4 N4 O12 -","4","2","SX1056","Bull, James R.; de Koning, Pieter D.","16α-Chloro-16β-cyano-3-methoxy-14,17α-ethenoestra-1,3,5(10)-trien-17β-yl Acetate","Acta Crystallographica Section C","1998","54","9","1281","1282","10.1107/S0108270198000584","","","0.71069","MoKα","","0.1568","0.064","","0.161","0.151","","","","0.972","1.299","1.299","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007726","5.9103","0.0004","28.2842","0.0019","5.0635","0.0003","90","","93.975","0.007","90","","844.42","0.1","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","S,S-trans-2,3-tetralindiol","(S,S)-trans-1,2,3,4-tetrahydro-2,3-naphthalenediol","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","FR1110","Michael A. Lloyd; Garth E. Patterson; Brock, Carolyn Pratt","(S,S)-trans-2,3-Tetralindiol","Acta Crystallographica Section C","1998","54","10","1486","1488","10.1107/S010827019800537X","","","0.71073","MoKα","","0.069","0.031","","0.076","0.065","","","","1.021","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007753","17.232","0.001","7.294","0.001","23.241","0.002","90","","95.27","0.01","90","","2908.8","0.5","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,R)-trans-1,2-Bis(2-hydroxyphenyl)cyclopentane,bis(R)-O-methylmandelic acid ester","","- C35 H34 O6 -","- C35 H34 O6 -","- C140 H136 O24 -","4","2","QA0050","Lynch, Vincent M.; Apodaca, Richard; Whitesell, James K.; Chou, Ming I.","trans-(R,R)-2,2'-(Cyclopenta-1,2-diyl)diphenyl Bis[(R)-O-methylmandelate]","Acta Crystallographica Section C","1998","54","10","IUC9800052","","10.1107/S0108270198099296","","","0.71073","MoKα","","0.1099","0.052","","0.105","0.0856","","","","1.03","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007772","4.8635","0.0007","13.0125","0.0018","12.658","0.0018","90","","97.832","0.003","90","","793.61","0.19","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-[Methyl 2,3-di-O-methyl-4,6-O-(phenylmethylene)α-D-glucopyranoside]","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-O-Benzylidene-α-D-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.146","0.072","","","","0.202","","","","","","0.945","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007774","7.9722","0.0002","8.5924","0.0002","16.0785","0.0004","90","","92.72","0.001","90","","1100.14","0.05","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(methylthio)phenyl]methylene]-α-D-glucopyranoside]chromium(0)","","- C20 H24 Cr O9 S -","- C20 H24 Cr O9 S -","- C40 H48 Cr2 O18 S2 -","2","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-O-Benzylidene-α-D-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.04","0.034","","","0.092","0.103","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007796","10.8912","0.0006","7.4907","0.0004","11.2879","0.0006","90","","111.214","0.001","90","","858.49","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C38 H56 O10 -","2","1","DA1020","Cambie, Richard C.; Mitchell, Lorna H.; Rickard, Clifton E. F.; Rutledge, P. Stewart","12,12-Ethylenedioxy-8α,9α-epoxypodocarpan-19-oic Acid","Acta Crystallographica Section C","1998","54","11","1672","1673","10.1107/S0108270198008269","","","0.71073","MoKα","","0.051","0.048","","","0.125","0.126","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007807","7.297","0.005","11.083","0.002","9.531","0.003","90","","104.3","0.03","90","","746.9","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-3-O-demethylcriwelline","(+)-(3R,4aS,6aS,13bS)-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[6,7][2]ben zopyrano[3,4-c]indole-3,6a-diol","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","Amaryllidaceae Alkaloids: (+)-Tazettine, (+)-3-O-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.051","0.036","","","","0.095","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007808","8.176","0.002","17.666","0.002","11.0743","0.0009","90","","95.054","0.009","90","","1593.3","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-3-epimacronine","(+)-(3S,4aS,6aR,13bS)-3-methoxy-5-methyl-3,4,4a,5,6,6a-hexahydro-[1,3]dioxolo[6, 7][2]benzopyrano[3,4-c]indol-8-one","","- C18 H19.132 N O5.066 -","- C18 H19.132 N O5.066 -","- C72 H76.528 N4 O20.264 -","4","2","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","Amaryllidaceae Alkaloids: (+)-Tazettine, (+)-3-O-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.044","0.035","","","","0.09","","","","","","1.031","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2007844","8.65","0.004","14.309","0.006","11.042","0.003","90","","105.83","0.03","90","","1314.9","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 Cu N4 O5 -","- C20 H44 Cl2 Cu N4 O5 -","- C40 H88 Cl4 Cu2 N8 O10 -","2","1","OA1052","Kojima, Yoshitane; Seki, Yoshio; Yasuda, Showji; Hirotsu, Ken; Miyake, Hiroyuki","A Copper(II) Complex of a Structurally Reinforced Chiral 14-Membered Aza-Macrocycle","Acta Crystallographica Section C","1998","54","11","1602","1604","10.1107/S0108270198002637","","","0.7107","MoKα","","","0.046","","","0.053","","","","","","","1.367","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007891","7.941","0.0016","13.838","0.003","11.37","0.002","90","","111.27","0.03","90","","1164.3","0.5","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Brucinium Maleate","","- C27 H30 N2 O8 -","- C27 H30 N2 O8 -","- C54 H60 N4 O16 -","2","1","BM1243","Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon; Walkinshaw, Malcolm D.","Brucinium Hydrogen Fumarate Sesquihydrate and Brucinium Hydrogen Maleate","Acta Crystallographica Section C","1998","54","12","1948","1951","10.1107/S0108270198010324","","","1.54184","CuKα","","0.074","0.069","","","","0.177","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007907","7.185","0.001","15.46","0.001","10.254","0.001","90","","97.41","0.007","90","","1129.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione","","- C24 H31 Br O4 -","- C24 H31 Br O4 -","- C48 H62 Br2 O8 -","2","1","DA1005","Soriano-García, Manuel; Hernández-Ortega, Simón; Bratoeff, Eugene; Flores, Gregoria; Ramírez, Elena","17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione","Acta Crystallographica Section C","1998","54","12","2022","2024","10.1107/S010827019800211X","","","0.71073","MoKα","","0.111","0.048","","0.11","","0.095","","","1.001","","","1.001","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007964","11.501","0.009","9.122","0.007","13.859","0.012","90","","99.22","0.06","90","","1435","2","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(cyclohexylammonium) D-3-phosphoglycerate ethanol","","- C23 H52 N3 O8 P -","- C23 H52 N3 O8 P -","- C46 H104 N6 O16 P2 -","2","1","KA1281","Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Tris{[tris(2-hydroxymethyl)methyl]ammonium} D-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) D-3-Phosphoglycerate Ethanol Solvate at 85K","Acta Crystallographica Section C","1998","54","12","2015","2019","10.1107/S0108270198007732","","","0.71073","MoKα","","0.1003","0.0514","","0.1432","0.1253","","","","1.052","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007973","9.5664","0.0012","7.0768","0.0009","14.2175","0.001","90","","108.137","0.007","90","","914.69","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","t-butyl 3-[4-(2-bromoethoxy)-3-chlorophenyl]-5-methylisoxasole-4- carboxylate","","- C17 H19 Br Cl N O4 -","- C17 H19 Br Cl N O4 -","- C34 H38 Br2 Cl2 N2 O8 -","2","1","LN1061","Dupont, Léon; Kohl, Michel; Lejeune, Robert","tert-Butyl 3-[4-(2-Bromoethoxy)-3-chlorophenyl]-5-methylisoxazole-4-carboxylate","Acta Crystallographica Section C","1998","54","12","1957","1959","10.1107/S0108270198009482","","","1.5418","CuKα","","0.0391","0.0317","","","","0.0895","","","","","","0.942","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007983","6.8417","0.0004","10.2086","0.0005","14.6099","0.0008","90","","101.574","0.005","90","","999.67","0.1","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+) (2R)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-pyrrolidinylium)methyl]piperidine chloride monohydrate","","- C18 H27 Cl3 N2 O2 -","- C18 H27 Cl3 N2 O2 -","- C36 H54 Cl6 N4 O4 -","2","1","NA1373","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.","Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics","Acta Crystallographica Section C","1998","54","12","1968","1970","10.1107/S0108270198008191","","","1.54184","CuKα","","0.038","0.036","","0.103","","0.103","","","1.041","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008026","12.8086","0.0009","6.6542","0.0004","14.4143","0.001","90","","97.679","0.009","90","","1217.53","0.14","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose.","","- C26 H28 O4 Sn -","- C26 H28 O4 Sn -","- C52 H56 O8 Sn2 -","2","1","SK1213","Rufino, Helena; Wardell, James L.; Low, John N.; Falconer, Ruth; Ferguson, George","5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose","Acta Crystallographica Section C","1998","54","12","1792","1794","10.1107/S0108270198009524","","","0.71073","MoKα","","0.022","0.017","","","","0.04","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008053","8.5887","0.001","8.6404","0.0006","9.6169","0.0006","90","","98.398","0.007","90","","706.02","0.11","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","N-((R/S)-2-Hydroxy-2-Phenylacetyl)-L-leucine","(2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C28 H38 N2 O8 -","2","1","BM1269","Dalton, John P.; Gallagher, John F.; Kenny, Peter T. M.; O'Donohoe, Michael","Intramolecular N—H···O, intermolecular O—H···O, C—H···O and Csp^3^—H···π~arene~ interactions in (2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","Acta Crystallographica Section C","1999","55","1","126","129","10.1107/S0108270198010063","","","0.7107","MolybdenumKα","","0.057","0.04","","","","0.119","","","","","","1.013","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008068","11.9156","0.0012","12.7033","0.0019","11.9651","0.0017","90","","100.415","0.01","90","","1781.3","0.4","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Pseudaconitine","[1α,6α,14α(E),16β]-20-Ethyl-1,6,16-trimethoxy-4-methoxymethyl-3,13- dihydroxyaconitane-8,14-diyl 8-acetate 14-(3',4'-dimethoxybenzoate)","","- C36 H51 N O12 -","- C36 H51 N O12 -","- C72 H102 N2 O24 -","2","1","FG1489","Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat","Pseudaconitine","Acta Crystallographica Section C","1999","55","1","72","74","10.1107/S0108270198010129","","","1.54178","CuKα","","0.069","0.057","","","","0.161","","","","","","1.044","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008096","8.056","0.001","13.552","0.001","10.822","0.001","90","","111.53","0.01","90","","1099.1","0.2","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2,2'-dihydroxy-1,1'-binaphthyl (R,R)-1,2-cyclohexanediamine","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C52 H56 N4 O4 -","2","1","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (R,R)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.056","","","","0.065","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008121","6.462","0.001","33.014","0.007","10.457","0.002","90","","93.3","0.03","90","","2227.2","0.7","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","isoavarol diacetate","2-(perhydro-1,2,4a-trimethyl-5-methylene-1-naphthylmethyl)-p-phenylene diacetate","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","2","AV1024","Ilyin, Sergey G.; Shubina, Larisa K.; Stonik, Valentine A.; Antipin, Michael Yu.","Isoavarol diacetate","Acta Crystallographica Section C","1999","55","2","266","268","10.1107/S0108270198010993","","","0.71069","MoKα","","0.084","0.05","","0.076","","0.066","","","3.555","","","3.385","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008133","6.777","0.001","4.915","0.001","8.455","0.002","90","","91.11","0.03","90","","281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","ammonium oxovanadium(IV) phosphate ammonia","ammonium oxovanadium(IV) phosphate ammonia","","- H7 N2 O5 P V -","- H7 N2 O5 P V -","- H14 N4 O10 P2 V2 -","2","1","BR1216","Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred","NH~4~VO(NH~3~)PO~4~","Acta Crystallographica Section C","1999","55","2","156","157","10.1107/S0108270198011123","","","0.71073","MoKα","","0.05","0.034","","","","0.07","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008136","7.442","0.001","18.29","0.001","10.284","0.001","90","","104.74","0.01","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","1","CF1276","Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož","trans-Diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)","Acta Crystallographica Section C","1999","55","2","176","178","10.1107/S0108270198011640","","","0.71073","MoKα","","0.0555","0.034","","","","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008183","5.2326","0.0003","16.766","0.002","6.613","0.0005","90","","106.983","0.005","90","","554.86","0.09","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-bromopropyl)-5-nitro-1H-indole","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","","0.025","","","0.036","","","","","1.978","1.978","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008222","8.2103","0.0001","25.6785","0.0006","11.6874","0.0002","90","","105.004","0.001","90","","2380.03","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2'R,6'R)-1-Methoxy-4-(2""-methylprop-2""-enyloxy)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","2","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.06","0.043","","","","0.11","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008235","11.173","0.004","7.324","0.005","12.024","0.008","90","","97.82","0.04","90","","974.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Homolycorine Hydrochloride dihydrate","(1S,5S,4aR,10bS)-8,9-diethoxy-N-methyl-(2)benzopyran(3,4-g)indolin-6-one","","- C18 H26 Cl N O6 -","- C18 H24 Cl N O6 -","- C36 H48 Cl2 N2 O12 -","2","1","CF1288","Francesc Viladomat; Jaume Bastida; Carles Codina; Xavier Solans; 'Mercè Font-Bardia","Homolycorine hydrochloride dihydrate","Acta Crystallographica Section C","1999","55","3","385","387","10.1107/S0108270198014644","","","0.71069","MoKα","","0.0439","0.0329","","","","0.0568","","","","","","0.875","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008243","4.851","0.002","13.535","0.003","14.013","0.005","90","","97.28","0.01","90","","912.7","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^4^Anisoylcytidine Dihydrate","","- C17 H23 N3 O9 -","- C17 H23 N3 O9 -","- C34 H46 N6 O18 -","2","1","DE1095","S. Kolappan; T. P. Seshadri","N^4^-Anisoylcytidine dihydrate","Acta Crystallographica Section C","1999","55","3","391","392","10.1107/S0108270198013274","","","1.5418","CuKα","","0.049","0.042","","0.132","0.117","","","","1.051","1.062","1.062","","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2008250","10.458","0.002","7.619","0.002","13.28","0.002","90","","91.94","0.01","90","","1057.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxo-5α-cholan-24-oic Acid","(+)-3-Oxo-5α-cholan-24-oic Acid","","- C24 H38 O3 -","- C24 H38 O3 -","- C48 H76 O6 -","2","1","FG1512","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxo-5α-cholan-24-oic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","3","419","422","10.1107/S0108270198012931","","","0.71073","MoKα","","0.069","0.046","","0.122","0.101","","","","1.07","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008255","12.8953","0.0017","10.0927","0.0011","14.413","0.002","90","","106.638","0.012","90","","1797.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","paroxetine hydrochloride hemihydrate","","","- C19 H22 Cl F N O3.5 -","- C19 H22 Cl F N O3.5 -","- C76 H88 Cl4 F4 N4 O14 -","4","2","","Ibers, James A.","Paroxetine hydrochloride hemihydrate","Acta Crystallographica Section C","1999","55","3","432","434","10.1107/S0108270198013444","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2008324","9.022","0.003","15.576","0.002","13.489","0.003","90","","103.52","0.02","90","","1843","0.8","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl-5,7,8-tri-O-acetyl-2-deoxy-α-D-erythro-L-arabino-oct-3-ulofuranosid- 1,4-lactone","","- C16 H22 O10 -","- C16 H22 O10 -","- C64 H88 O40 -","4","2","BM1305","Linden, Anthony; Lee, C. Kuan; Li, Xiaofeng","A fused furanoside-1,4-lactone at 173K","Acta Crystallographica Section C","1999","55","4","642","644","10.1107/S0108270198016692","","","0.71073","MoKα","","0.089","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008335","9.72","0.001","18.274","0.002","12.542","0.001","90","","104.868","0.009","90","","2153.2","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-phenyl benzoylhydroxamate-O,O')(N-salicylidene-L-alaninato-O,N,O')- oxo-vanadium(V)","","- C23 H19 N2 O6 V -","- C23 H19 N2 O6 V -","- C92 H76 N8 O24 V4 -","4","2","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate N-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.096","0.062","","0.145","0.129","","","","0.97","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008353","9.153","0.001","11.495","0.001","10.277","0.001","90","","93.161","0.004","90","","1079.64","0.18","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'H)-furan]-2'10-dione","","- C12 H15 N O3 -","- C12 H14.76 N O3 -","- C48 H59.04 N4 O12 -","4","2","FR1145","Lynch, Vincent M.; Bur, Scott K.; Martin, Stephen F.","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'H)-furan]-5',10-dione: an example of kryptoracemic crystallization","Acta Crystallographica Section C","1999","55","4","622","624","10.1107/S0108270198012748","","","0.71073","MoKα","","0.0377","0.0337","","0.0824","0.0796","","","","1.006","1.015","1.015","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008362","7.095","0.002","11.761","0.004","8.419","0.003","90","","98.4","0.02","90","","695","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Aqua(N,N,N',N'-tetramethylethylenediamine)diisothiocyanato-copper(II)","","- C8 H18 Cu N4 O S2 -","- C8 H18 Cu N4 O S2 -","- C16 H36 Cu2 N8 O2 S4 -","2","1","GS1023","Vrábel, Viktor; Garaj, Ján; Sivý, Július; Oktavec, Drahomír","Aquadiisothiocyanato(N,N,N',N'-tetramethylethylenediamine-N,N')copper(II)","Acta Crystallographica Section C","1999","55","4","551","553","10.1107/S0108270198014553","","","0.71069","MoKα","","0.033","0.024","","0.06","0.059","","","","0.83","0.901","0.901","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008376","5.295","0.006","11.559","0.008","11.698","0.011","90","","90.64","0.08","90","","715.9","1.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R)-3-benzylimino-2-isopropylidene-4-thia-1-azabicyclo[3.2.0]heptan-7-one","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C30 H32 N4 O2 S2 -","2","1","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.128","0.061","","0.143","0.115","","","","0.992","1.164","1.164","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008420","6.893","0.004","18.222","0.008","6.981","0.003","90","","108.05","0.05","90","","833.7","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-oxa-3,17-dioxoandrostane-5α-carbaldehyde","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","SK1231","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde","Acta Crystallographica Section C","1999","55","4","637","639","10.1107/S0108270198015728","","","0.71073","MoKα","","0.0728","0.0403","","","","0.1128","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008436","7.359","0.003","7.873","0.003","16.098","0.004","90","0.01","96","0.02","90","0.01","927.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-Tosyl adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C34 H38 N10 O12 S2 -","2","1","VJ1090","D. Prahadeeswaran; T. P. Seshadri","2'-O-Tosyladenosine","Acta Crystallographica Section C","1999","55","4","606","608","10.1107/S0108270198015236","","","1.5418","CuKα","","0.0573","0.0565","","0.1371","0.1356","","","","1.086","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008437","9.412","0.002","6.914","0.001","14.667","0.002","90","0.01","102.89","0.02","90","0.02","930.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^6^Anisoyl Adenosine Monohydrate","","- C18 H21 N5 O7 -","- C18 H21 N5 O7 -","- C36 H42 N10 O14 -","2","1","VJ1092","S. Kolappan; T. P. Seshadri","N^6^-Anisoyladenosine monohydrate","Acta Crystallographica Section C","1999","55","4","603","604","10.1107/S0108270198015248","","","1.5418","CuKα","","0.0371","0.0356","","0.1048","0.1021","","","","1.013","1.009","1.009","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008499","8.332","0.002","13.766","0.003","17.264","0.004","90","","90","0.03","90","","1980.2","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Sodium hydrogen dichloro(ethylenediaminetetra-acetate) ruthenium(III) eneahydrate","","- C20 H47 Cl4 N4 Na O25 Ru2 -","- C20 H46 Cl4 N4 Na O25 Ru2 -","- C40 H92 Cl8 N8 Na2 O50 Ru4 -","2","1","QB0080","Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo","Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-O,N,N',O')ruthenium(III)] nonahydrate","Acta Crystallographica Section C","1999","55","5","IUC9900051","","10.1107/S0108270199099503","","","0.71073","MoKα","","0.023","0.023","","","","0.062","","","","","","1.082","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008500","6.318","0.004","15.69","0.04","11.161","0.006","90","","103.48","0.05","90","","1076","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-epoxy-7-oxo-7a-oxa-5β-cholanoic acid","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","QB0082","Angel Dago Morales; Santiago García-Granda; Roxana Pérez Gil; Francisco Coll-Manchado","3β,4β-Epoxy-7-oxo-7a-oxa-7a-homo-5β-cholan-24-oic acid","Acta Crystallographica Section C","1999","55","5","IUC9900043","","10.1107/S0108270199099448","","","0.71073","MoKα","","0.107","0.053","","","","0.155","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008533","14.835","0.002","7.157","0.003","14.971","0.003","90","","103.05","0.04","90","","1548.5","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C68 H104 O8 -","2","1","BM1304","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara","Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate","Acta Crystallographica Section C","1999","55","6","992","994","10.1107/S0108270199002255","","","1.54178","CuKα","","0.1122","0.0539","","0.1716","0.1247","","","","0.822","1.048","1.048","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008544","6.377","0.002","6.972","0.003","10.514","0.016","90","","104.45","","90","","452.7","0.7","122","0.2","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-2-(4-Chlorophenoxy)propionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C18 H18 Cl2 O6 -","2","1","CF1292","Henning Osholm Sørensen; André Collet; Sine Larsen","(R)-(+)-2-(4-Chlorophenoxy)propionic acid","Acta Crystallographica Section C","1999","55","6","953","956","10.1107/S0108270199002280","","","1.54184","CuKα","","0.022","0.022","","","","0.062","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008578","6.5284","0.001","30.614","0.002","13.5481","0.001","90","0.01","101.31","0.01","90","0.01","2655.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","19β,28-Epoxy-18Hα-oleanan[2,3-d]isoxazole","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","2","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-d]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0481","0.0361","","0.1045","0.0997","","","","1.003","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008579","6.425","0.001","7.895","0.001","21.883","0.002","90","","95.5","0.01","90","","1104.9","0.2","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S,5S,6S)-exo-3-[(S)-1,2-dibenzyloxyethyl]-exo-2-cyano-endo-6- hydroxy-exo-5-iodobicyclo[2.2.1]heptane-endo-2-carboxylic Acid Lactone.","","- C25 H24 I N O4 -","- C25 H24 I N O4 -","- C50 H48 I2 N2 O8 -","2","1","JZ1323","Alías, Miriam; Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","(1R,2R,3S,4S,5S,6S)-exo-2-Cyano-exo-3-[(S)-1,2-dibenzyloxyethyl]-exo-5-iodobicyclo[2.2.1]heptane-endo-2,6-carbolactone","Acta Crystallographica Section C","1999","55","6","1009","1012","10.1107/S010827019900222X","","","0.71073","MoKα","","","0.0384","","","","0.0969","","","","","","1.017","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008586","15.67","0.004","10.556","0.002","12.258","0.004","90","","96.1","0.01","90","","2016.1","0.9","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2R,3R)-5-(N-benzyl-N-methylamino)-2-[N-(4-methoxyphenyl)carbamoyl]-4-nitro-2-phenyl-2,3-dihydro-3-thienyl]-1,2,3,4,5-penta-O-acetyl-D-manno-pentitol","","- C41 H45 N3 O14 S -","- C41 H45 N3 O14 S -","- C82 H90 N6 O28 S2 -","2","1","NA1392","María Jesús Diánez; María Dolores Estrada; Amparo López-Castro; Simeón Pérez-Garrido","Study of a diastereoisomeric dihydrothiophene derivative at 150K","Acta Crystallographica Section C","1999","55","6","1020","1023","10.1107/S010827019900102X","","","0.71073","MoKα","","0.047","0.042","","0.124","0.119","","","","1.047","1.054","1.054","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008600","9.641","0.004","10.251","0.004","13.893","0.005","90","","101","0.03","90","","1347.8","0.9","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O7 -","- C26 H32 N2 O7 -","- C52 H64 N4 O14 -","2","1","OB1005","Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima","N-tert-Butoxycarbonyl-N,N'-ethylene-bridged (S)-tyrosyl-(S)-tyrosine methyl ester","Acta Crystallographica Section C","1999","55","6","1023","1025","10.1107/S0108270199002449","","","0.7107","MoKα","","","0.039","","","0.042","","","","","1.962","1.962","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008635","8.88","0.002","6.748","0.002","17.73","0.004","90","","100.42","0.03","90","","1044.9","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C38 H54 N6 O12 -","2","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from cyclo(Gly-L-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.1453","0.0694","","","","0.1701","","","","","","1.126","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008651","9.656","0.001","5.592","0.001","15.788","0.001","90","","102.68","0.01","90","","831.7","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:3,4:5,6-Tri-O-isopropylidene-D-manitol","","- C15 H26 O6 -","- C15 H26 O6 -","- C30 H52 O12 -","2","1","BK1441","Ping Liu; Ting-Bin Wen; Jian-Kai Cheng","1,2:3,4:5,6-Tri-O-isopropylidene-D-mannitol","Acta Crystallographica Section C","1999","55","7","1179","1181","10.1107/S0108270199002759","","","0.71073","MoKα","","0.044","0.04","","0.099","0.098","","","","1.058","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008703","10.1673","0.0001","10.1932","0.0002","15.4592","0.0002","90","","102.048","0.001","90","","1566.86","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","deoxycholic acid, tris(hydroxymethyl) amino methane, water","tris(hydroxymethyl)methyl ammonium 3α,12α-dihydroxy-5β-cholan-24-oate trihydrate","","- C28 H57 N O10 -","- C28 H57 N O10 -","- C56 H114 N2 O20 -","2","1","OS1052","Tusvik, Per Helge; Mostad, Arvid; Dalhus, Bjørn; Rosenqvist, Einar","A 1:1 complex between deoxycholate and tris(hydroxymethyl)methylammonium","Acta Crystallographica Section C","1999","55","7","1113","1115","10.1107/S0108270199004370","","","0.71073","MoKα","","0.042","0.035","","0.092","0.084","","","","1.057","1.04","1.04","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008704","9.9166","0.0002","4.7247","0.0001","15.3292","0.0003","90","","102.349","0.001","90","","701.6","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Norvaline:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. II. The D-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0567","0.0448","","0.1271","0.1161","","","","1.049","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008705","9.8756","0.0002","4.7029","0.0001","16.4192","0.0003","90","","107.328","0.0007","90","","727.96","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionine:D-Norleucine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. II. The D-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.028","0.0254","","0.0697","0.0682","","","","1.059","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008708","5.1778","0.0001","27.8078","0.0005","5.3995","0.0001","90","","112.303","0.001","90","","719.28","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Leucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. II. The D-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.067","0.0587","","0.1354","0.1308","","","","1.192","1.22","1.22","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008711","6.7579","0.0012","6.8393","0.001","11.0376","0.0017","90","","101.307","0.014","90","","500.25","0.14","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-deoxy-1'-(3-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C22 H26 F2 O8 -","2","1","QA0131","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(3-fluorophenyl)-β-D-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900070","","10.1107/S0108270199099205","","","0.71073","MoKα","","0.038","0.035","","","","0.091","","","","","","1.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008746","12.7274","0.0003","5.5573","0.0002","15.161","0.0003","90","","102.935","0.0012","90","","1045.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Neotame","[N-[N-(3,3-dimethylbutyl)-L-a-aspartyl]-L-phenylalanine 1-methyl ester]","","- C20 H32 N2 O6 -","- C20 H32 N2 O6 -","- C40 H64 N4 O12 -","2","1","BK1453","Wink, Donald J.; Schroeder, Stephen A.; Prakash, Indra; Lam, Kin-Chung; Rheingold, A. L.","Neotame, an alkylated dipeptide and high intensity sweetener","Acta Crystallographica Section C","1999","55","8","1365","1368","10.1107/S0108270199005284","","","0.71073","MoKα","","0.062","0.058","","","","0.182","","","","","","1.411","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008757","5.6804","0.0015","11.117","0.002","8.7621","0.0008","90","","94.27","0.013","90","","551.78","0.18","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,4,5,6,7,8-hexahydro-10,10-dimethyl-1,2,8-thiadiazecin-9(10H)-one 1,1-dioxide","","- C9 H18 N2 O3 S -","- C9 H18 N2 O3 S -","- C18 H36 N4 O6 S2 -","2","1","BM1340","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","10,10-Dimethyl-1,2,8-thiadiazecan-9-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1378","1380","10.1107/S0108270199007611","","","0.71069","MoKα","","0.028","0.027","","","","0.072","","","","","","1.062","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008778","7.581","0.001","8.663","0.001","11.475","0.001","90","","106.44","0.01","90","","722.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DM08","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","FR1146","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Vasconcellos, Mario L. A. A.; Barreiros, Uendel G.","(1R,2R,3R,3'R,4R)-3-[(2-Furyl)hydroxymethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, a new camphor-based chiral auxiliary","Acta Crystallographica Section C","1999","55","8","1295","1297","10.1107/S0108270199000645","","","0.71073","MoKα","","0.11","0.052","","0.122","0.11","","","","0.905","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008783","7.1732","0.0017","21.285","0.006","12.28","0.003","90","","92.05","0.02","90","","1873.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[Aquo(1,10-phenanthroline)(L-prolinato)copper(II)] nitrate hydrate","","- C34 H40 Cu2 N8 O14 -","- C34 H40 Cu2 N8 O14 -","- C68 H80 Cu4 N16 O28 -","2","1","FR1195","Venkatraman, Ramaiyer; Zubkowski, Jeffrey D.; Valente, Edward J.","Aqua(1,10-phenanthroline)(L-prolinato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1241","1243","10.1107/S0108270199005570","","","0.71073","MoKα","","0.075","0.042","","","","0.101","","","","","","0.744","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008795","9.019","0.003","17.061","0.004","9.458","0.004","90","","93.9","0.04","90","","1452","0.9","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H40 Cl3 N O11 Pt S -","- C17 H40 Cl3 N O11 Pt S -","- C34 H80 Cl6 N2 O22 Pt2 S2 -","2","1","KA1320","Bruhn, Clemens; Gravenhorst, Olaf; Wagner, Christoph; Steinborn, Dirk","(L-2-Ammonio-4-methylsulfinylbutanoic acid-κS)trichloroplatinum(II)‒18-crown-6‒water (1/1/2)","Acta Crystallographica Section C","1999","55","8","1255","1257","10.1107/S0108270199005132","","","0.71073","MoKα","","0.0369","0.0342","","0.0854","","0.0841","","","1.054","","","1.071","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2008806","10.546","0.001","14.229","0.001","10.807","0.001","90","","99.75","0.01","90","","1598.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N' - Bis[2-hydroxy-3-morpholinomethyl)-5-methyl]benzyl ethylenediamino copper(II) perchlorate. dihydrate","","- C28 H45 Cl Cu N4 O10 -","- C28 H45 Cl Cu N4 O10 -","- C56 H90 Cl2 Cu2 N8 O20 -","2","1","NA1413","Shanmuga Sundara Raj, S.; Velmurugan, D.; Gunasekaran, K.; Fun, Hoong-Kun; Manonmani, J.; Kandaswamy, M.","{4,4'-Dimethyl-6'-morpholiniomethyl-6-mor-pholinomethyl-2,2'[1,2-ethanediylbis(iminomethylene)]diphenolato}copper(II) perchlorate dihydrate","Acta Crystallographica Section C","1999","55","8","1222","1224","10.1107/S0108270199005776","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.017","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008820","7.203","0.001","7.67","0.002","12.197","0.002","90","","99.1","0.03","90","","665.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","OS1054","Govindasamy, L.; Velmurugan, D.; Rajendran, T.M.","An N···H—O intramolecular strong hydrogen bond in N-(2-aminophenyl)naphthaldimine","Acta Crystallographica Section C","1999","55","8","1368","1369","10.1107/S0108270199004527","","","1.54178","CuKα","","0.0344","0.0318","","","","0.1067","","","","","","1.039","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008845","7.844","0.003","7.035","0.003","17.696","0.007","90","","100.6","0.03","90","","959.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C36 H48 N4 O8 S2 -","2","1","QB0102","Wei Zhu; Guishu Yang; Kaibai Yu","(R~S~)-(1R,2S,3R)-2-Methoxy-1,7,7-trimethyl-N-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide","Acta Crystallographica Section C","1999","55","8","IUC9900090","","10.1107/S0108270199098960","","","0.71073","MoKα","","0.105","0.041","","","","0.088","","","","","","0.782","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008852","7.935","0.007","8.656","0.003","9.389","0.003","90","","97.87","0.04","90","","638.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2S,5S,6S)-6-methyl-5,6-dihydroxycyclohexe-3-en-1,2-diyl diacetate","","- C11 H16 O6 -","- C11 H16 O6 -","- C22 H32 O12 -","2","1","SX1084","Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane","(1S,2S,5S,6S)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate","Acta Crystallographica Section C","1999","55","8","1347","1349","10.1107/S0108270199004953","","","0.71069","MoKα","","0.06","0.047","","","","0.145","","","","","","1.041","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008907","6.293","0.003","10.255","0.002","22.172","0.005","90","","96.17","0.03","90","","1422.6","0.8","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholest-5-enyl-3β,4β-diacetate","Cholest-5-ene-3β,4β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","GD1035","Kennedy, Alan R.; Pitt, Andrew R.; Suckling, Colin J.; Suckling, Keith E.; Thomas, Michael","Cholest-5-ene-3β,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","9","1570","1572","10.1107/S0108270199006770","","","0.71069","MoKα","","0.092","0.057","","","","0.147","","","","","","1.052","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008930","8.5158","0.0008","7.0115","0.0006","10.9335","0.0013","90","","97.375","0.012","90","","647.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2'-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine","","","- C11 H13 I N4 O3 -","- C11 H13 I N4 O3 -","- C22 H26 I2 N8 O6 -","2","1","KA1326","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","9-(2-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine","Acta Crystallographica Section C","1999","55","9","1560","1562","10.1107/S0108270199006538","","","0.71073","MoKα","","0.0232","0.0226","","","","0.0569","","","","","","1.051","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008939","10.545","0.001","9.747","0.001","5.3893","0.0005","90","","92.243","0.007","90","","553.5","0.09","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C18 H32 N4 O8 S2 -","2","1","OA1081","Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi","The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase","Acta Crystallographica Section C","1999","55","9","1598","1599","10.1107/S0108270198016436","","","0.7107","MoKα","","","0.029","","","","0.084","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008942","5.1673","0.0001","23.9998","0.0004","5.4029","0.0001","90","","112.026","0.001","90","","621.13","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-2-aminobutanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C20 H44 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.065","0.052","","0.154","","0.136","","","1.151","","","1.099","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008944","5.1451","0.0001","28.0517","0.0005","5.4068","0.0001","90","","111.423","0.001","90","","726.44","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Leucine:D-methionine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.126","0.081","","","","0.173","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008945","5.2002","0.0001","25.1334","0.0004","5.4157","0.0001","90","","110.796","0.001","90","","661.71","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-valine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.039","0.037","","0.102","","0.095","","","1.108","","","1.108","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008946","9.9562","0.0001","4.7417","0.0001","12.7833","0.0001","90","","106.843","0.001","90","","577.602","0.015","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valine:D-2-aminobutanoic acid","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.045","0.04","","0.108","","0.104","","","1.018","","","1.046","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008984","7.7593","0.0001","27.9746","0.0003","10.2064","0.0001","90","","101.65","","90","","2169.8","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(R)-methyl 2,3-O-(1-methylethylidene)-4,6-O-[(η^6^- phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C20 H22 Cr O9 -","- C20 H22 Cr O9 -","- C80 H88 Cr4 O36 -","4","2","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.035","","","","0.084","","","","","","1.035","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008985","7.6488","0.0001","13.3096","0.0003","11.1206","0.0002","90","","100.08","","90","","1114.63","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(S)-methyl 2,3-di-O-methyl-4,6-O-[(η^6^- 1-phenyl)ethylene]-α-D-glucopyranoside}chromium(0).","","- C20 H24 Cr O9 -","- C20 H24 Cr O9 -","- C40 H48 Cr2 O18 -","2","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.033","0.031","","","","0.087","","","","","","1.059","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008991","11.375","0.003","10.438","0.003","12.577","0.004","90","","115.8","0.02","90","","1344.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O6 -","- C24 H33 N3 O6 -","- C48 H66 N6 O12 -","2","1","VJ1099","Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P.","Methyl 1-(tert-butoxycarbonyl-L-alanyl-L-leucylamino)cyclooctane-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1575","1577","10.1107/S0108270199005260","","","0.71073","MoKα","","0.0753","0.0684","","0.1937","","0.1861","","","","","","1.091","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008993","7.9574","0.0001","19.4192","0.0003","24.2174","0.0004","90","","91.406","0.002","90","","3741.1","0.1","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl2 N2 O7 -","- C44 H36 Cl2 N2 O7 -","- C176 H144 Cl8 N8 O28 -","4","2","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.068","0.062","","","","0.161","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008994","4.659","0.001","25.117","0.002","7.758","0.001","90","","105.51","0.01","90","","874.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-lactoside","Methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside","","- C14 H28 O12 -","- C14 H28 O12 -","- C28 H56 O24 -","2","1","BK1465","Stenutz, Roland; Shang, Maoyu; Serianni, Anthony S.","Methyl β-lactoside (methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside) methanol solvate","Acta Crystallographica Section C","1999","55","10","1719","1721","10.1107/S0108270199007994","","","0.71073","MoKα","","0.0309","0.0301","","0.0791","0.0781","","","","1.124","1.129","1.129","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009008","8.626","0.002","6.5402","0.0012","14.524","0.004","90","","100.21","0.03","90","","806.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-O-benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose","","- C16 H22 O5 -","- C16 H22 O5 -","- C32 H44 O10 -","2","1","FG1535","Eriksson, Lars; Söderman, Peter; Widmalm, Göran","4-O-Benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose","Acta Crystallographica Section C","1999","55","10","1736","1738","10.1107/S0108270199008203","","","0.71073","MoKα","","0.201","0.065","","0.112","","0.081","","","0.715","","","0.715","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009019","6.597","0.001","11.468","0.001","11.103","0.001","90","","91.9","0.01","90","","839.53","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic Acid","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","FG1554","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","10","1680","1682","10.1107/S0108270199007519","","","0.71073","MoKα","","0.09","0.05","","","","0.099","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009028","6.6351","0.0008","12.7178","0.001","15.6807","0.0014","90","0.007","95","0.009","90","0.009","1318.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-Formyl-19β,28-epoxy-3-hydroxy-18Hα-olean-2-ene","","- C31 H48 O3 -","- C31 H48 O3 -","- C62 H96 O6 -","2","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und Allo-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.053","0.0368","","","","0.1097","","","","","","1.049","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009029","8.3779","0.0005","10.7496","0.0008","8.3805","0.0005","90","","101.099","0.006","90","","740.62","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(7S)-(7α,7aα,14α,14aβ)-1,3,4,7,7a,8,9,10,11,13,14,14a-Dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-5-ium bromide","","- C15 H27 Br N2 -","- C15 H27 Br N2 -","- C30 H54 Br2 N4 -","2","1","KA1317","Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati","(‒)-Sparteinium bromide","Acta Crystallographica Section C","1999","55","10","1710","1711","10.1107/S0108270199008185","","","1.54178","CuKα","","0.091","0.079","","","","0.228","","","","","","1.099","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009062","11.1271","0.0012","9.2899","0.001","14.565","0.003","90","","100.573","0.005","90","","1480","0.4","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl (-)-(2S,3S,4S,5R,6S,R~S~)-3-hydroxy-5-(1-{N-[(R)-1-hydroxy-3-methylbut-2-yl]- 4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine-1-carboxylate","","- C30 H44 N2 O5 S -","- C30 H44 N2 O5 S -","- C60 H88 N4 O10 S2 -","2","1","QA0173","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(‒)-(2S,3S,4S,5R,R~S~)-1-tert-Butoxycarbonyl-3-hydroxy-5-(1(S)-{N-[(R)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine at 133K","Acta Crystallographica Section C","1999","55","10","IUC9900114","","10.1107/S0108270199098625","","","0.71073","MoKα","","0.044","0.039","","","","0.107","","","","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009067","9.0696","0.0015","16.809","0.002","9.2603","0.0011","90","","114.804","0.012","90","","1281.5","0.3","134","2","134","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-N-(tert-butoxycarbonyl)-3-[3,5-bis-(trifluoromethyl)- phenylmethoxy]-4,5-dimethyl-2-phenyl-pyrrolidine","","- C26 H29 F6 N O3 -","- C26 H29 F6 N O3 -","- C52 H58 F12 N2 O6 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2S,3S,4S,5S)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-N-(tert-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2S,3S,4S,5S)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium p-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.049","0.047","","","","0.13","","","","","","1.675","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009068","9.8727","0.0018","8.8917","0.0011","16.527","0.002","90","","102.162","0.012","90","","1418.3","0.4","134","2","134","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-3-[3,5-bis-(trifluoromethyl)-phenylmethoxy]-4,5-dimethyl-2- phenyl-pyrrolidinyl p-toluenesulfonate","","- C28 H29 F6 N O4 S -","- C28 H29 F6 N O4 S -","- C56 H58 F12 N2 O8 S2 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2S,3S,4S,5S)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-N-(tert-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2S,3S,4S,5S)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium p-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.061","0.047","","","","0.113","","","","","","1.294","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009082","6.625","0.001","11.476","0.001","7.127","0.001","90","","105.03","0.01","90","","523.32","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-cis-Pinonic Acid","(1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","BK1455","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-cis-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid","Acta Crystallographica Section C","1999","55","11","1908","1911","10.1107/S0108270199009555","","","0.71073","MoKα","","0.041","0.035","","","","0.089","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009119","7.385","0.001","11.491","0.002","15.202","0.002","90","","101.94","0.01","90","","1262.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxoglycyrrhetinic acid","(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,-12aβ-heptamethyl -1,2,3,4,4a,5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ -icosahydropicene-2β-carboxylic acid","","- C30 H44 O4 -","- C30 H44 O4 -","- C60 H88 O8 -","2","1","FG1571","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid","Acta Crystallographica Section C","1999","55","11","1902","1905","10.1107/S0108270199010124","","","0.71073","MoKα","","0.061","0.041","","","","0.095","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009129","7.3872","0.0009","9.6082","0.0013","7.4972","0.0014","90","","115.444","0.01","90","","480.52","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-Pinononic acid","(+)-trans-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","GD1053","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid","Acta Crystallographica Section C","1999","55","11","1899","1902","10.1107/S0108270199010380","","","0.71073","MoKα","","0.041","0.035","","","","0.09","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009133","11.963","0.002","7.824","0.002","17.573","0.002","90","0.02","106.9","0.02","90","0.03","1573.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Salannin","Salannin","","- C34 H44 O9 -","- C34 H44 O9 -","- C68 H88 O18 -","2","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.08","0.058","","","","0.212","","","","","","0.833","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009141","11.015","0.002","7.678","0.003","30.045","0.004","90","","99.02","0.01","90","","2509.6","1.1","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H50 -","- C30 H50 -","- C120 H200 -","4","2","JZ1362","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime","Filic-3-ene, a pentacyclic triterpene from Davallia canariensis","Acta Crystallographica Section C","1999","55","11","1835","1837","10.1107/S0108270199009762","","","0.71073","MoKα","","0.1598","0.0598","","","","0.1971","","","","","","0.884","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009149","11.96","0.001","7.403","0.001","18.978","0.001","90","0.01","99.67","0.01","90","0.01","1656.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Carpaine hydrobromide","Carpaine hydrobromide","","- C28 H54 Br2 N2 O5 -","- C28 H54 Br2 N2 O5 -","- C56 H108 Br4 N4 O10 -","2","1","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0536","0.0359","","","","0.0908","","","","","","1.101","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009157","10.8176","0.0018","9.7701","0.0013","15.242","0.003","90","","108.832","0.018","90","","1524.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[phenyl(2,4,6-tri-tert-butylphenyl)selenonio]-4-toluenesulfonamidate","","- C31 H41 N O2 S Se -","- C31 H41 N O2 S Se -","- C62 H82 N2 O4 S2 Se2 -","2","1","OA1092","Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko","Absolute configuration of 2,4,6-tri-tert-butyl-diphenylselenonium-N-toluene-4'-sulfonimide","Acta Crystallographica Section C","1999","55","11","1861","1862","10.1107/S0108270199008860","","","0.71073","MoKα","","0.063","0.039","","","","0.105","","","","","","1.033","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009173","8.1295","0.0011","13.7607","0.0013","10.0224","0.0019","90","","107.804","0.01","90","","1067.5","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S,R~S~)-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenyl- sulfonimidoylmethyl}-4-hydroxy-3-methyl-1-azabicyclo[3.3.0]octane","","- C21 H34 N2 O3 S -","- C21 H34 N2 O3 S -","- C42 H68 N4 O6 S2 -","2","1","QB0109","Heinrich, Timo; Reggelin, Michael; Bats, Jan W.","(+)-(2S,3S,4S,5S,R~S~)-4-Hydroxy-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K","Acta Crystallographica Section C","1999","55","11","IUC9900131","","10.1107/S0108270199098492","","","0.71073","MoKα","","0.0835","0.0633","","","","0.1417","","","","","","1.277","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009201","9.7615","0.0009","13.0362","0.0012","9.7878","0.0009","90","","90.199","0.002","90","","1245.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Hexamethylenetetramine‒2,2'-biphenol (1/2)","","- C30 H32 N4 O4 -","- C30 H32 N4 O4 -","- C60 H64 N8 O8 -","2","1","SK1324","MacLean, Elizabeth J.; Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Hexamethylenetetramine is a fourfold acceptor of O—H···N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol","Acta Crystallographica Section C","1999","55","11","1867","1870","10.1107/S0108270199010422","","","0.6888","synchrotron","","0.075","0.066","","","","0.144","","","","","","1.101","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009211","9.272","0.002","11.134","0.008","10.434","0.005","90","","113.86","0.02","90","","985.1","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-propane sultone","3-hydroxy-1-propanesulfonic acid γ-sultone","","- C3 H6 O3 S -","- C3 H6 O3 S -","- C24 H48 O24 S8 -","8","4","BK1475","Billodeaux, Damon R.; Owens, Clyde V.; Sayes, Christie M.; Soper, Steven A.; Fronczek, Frank R.","Pseudosymmetry with Z' = 4 in 1,3-propanesultone at 100K","Acta Crystallographica Section C","1999","55","12","2126","2129","10.1107/S0108270199011592","","","0.71073","MoKα","","0.049","0.039","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009254","3.9463","0.0006","11.423","0.002","7.327","0.0011","90","","97.02","0.003","90","","327.81","0.09","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","3-hydroxyphthalide","","- C8 H6 O3 -","- C8 H6 O3 -","- C16 H12 O6 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.028","","","","0.037","","","","","","1.7","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2009304","12.653","0.003","8.0849","0.0006","5.5247","0.0009","90","","95.408","0.008","90","","562.65","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","OB1021","Inouye, Yoshinobu; Ishimura, Tomoyuki","Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide","Acta Crystallographica Section C","1999","55","12","2087","2088","10.1107/S0108270199011506","","","0.71073","MoKα","","0.093","0.054","","0.268","","0.188","","","0.917","","","0.801","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009308","9.8958","0.0002","22.3517","0.0006","16.4571","0.0003","90","","90.023","0.001","90","","3640.11","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C17 H28 N2 O4 -","- C17 H28 N2 O4 -","- C136 H224 N16 O32 -","8","4","OS1078","Görbitz, Carl Henrik","L-Alanyl-L-phenylalanine‒2-propanol (1/2) (α-form), L-valyl-L-phenylalanine‒2-propanol (1/1) and L-leucyl-L-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71069","MoKα","","0.158","0.08","","","","0.139","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009309","10.0858","0.0002","16.3754","0.0002","11.7987","0.0002","90","","91.698","0.001","90","","1947.81","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C18 H30 N2 O4 -","- C18 H30.102 N2 O4.051 -","- C72 H120.408 N8 O16.204 -","4","2","OS1078","Görbitz, Carl Henrik","L-Alanyl-L-phenylalanine‒2-propanol (1/2) (α-form), L-valyl-L-phenylalanine‒2-propanol (1/1) and L-leucyl-L-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.153","0.079","","","","0.169","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009352","9.602","0.005","7.636","0.006","16.661","0.005","90","","92.16","0.03","90","","1220.7","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Argininium tris(acetato-O,O')dioxouranium(III)‒acetic acid‒water (1/1/1)","","- C14 H30 N4 O13 U -","- C14 H30 N4 O13 U -","- C28 H60 N8 O26 U2 -","2","1","SK1332","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","L-Argininium tris(acetato-O,O')dioxouranium(III)‒acetic acid‒water (1/1/1)","Acta Crystallographica Section C","1999","55","12","2039","2041","10.1107/S0108270199011907","","","0.71073","MoKα","","0.027","0.017","","","","0.043","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009373","7.905","0.002","24.11","0.011","7.929","0.002","90","","96.52","0.02","90","","1501.4","0.9","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl6 N O3 Sb -","- C23 H30 Cl6 N O3 Sb -","- C46 H60 Cl12 N2 O6 Sb2 -","2","1","CR1060","Singh, P.; Comins, D.L.; Joseph, S.P.","4-Methoxy-1-[(1R,4S,5R)-8-phenylmenthoxycarbonyl]pyridinium hexachloroantimonate, C~23~H~30~NO~3~^+^.SbCl~6~^{-^}","Acta Crystallographica Section C","1994","50","1","25","27","10.1107/S0108270193006031","","","0.71073","MoKα","","","0.047","","","0.056","","","","","1.21","1.21","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009376","11.546","0.006","9.36","0.002","4.922","0.003","90","","101.5","0.2","90","","521.2","0.6","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","DU1028","Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.","Structure analysis of monoamine oxidase inhibitors, (R)-5-hydroxymethyl- and (R)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one","Acta Crystallographica Section C","1994","50","1","97","100","10.1107/S010827019300589X","","","0.71073","MoKα","","","0.0334","","","0.0401","","","","","1.07","1.07","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009396","11.534","0.006","22.224","0.008","13.295","0.009","90","","108.09","0.05","90","","3239","3","294","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H51 N O6 S -","- C62 H102 N2 O12 S2 -","- C124 H204 N4 O24 S4 -","2","1","LI1056","Bond, C.S.; Leonard, G.A.; Regan, A.C.; Hunter, W.N.; Andrews, J.F.P.","A chiral tetrahydro-γ-pyranonecarboxylate ester for asymmetric Nazarov cyclization","Acta Crystallographica Section C","1994","50","1","133","136","10.1107/S0108270193006468","","","1.54178","CuKα","","","0.069","","","0.08","","","","","1.33","1.33","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009416","7.774","0.003","11.235","0.004","6.463","0.003","90","","92.15","0.01","90","","564.1","0.4","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl Cu O8 -","- C7 H12 Cl Cu O8 -","- C14 H24 Cl2 Cu2 O16 -","2","1","PA1060","Bkouche-Waksman, I.","Structure and absolute configuration of a quinic acid‒copper(II) complex","Acta Crystallographica Section C","1994","50","1","62","64","10.1107/S010827019300842X","","","0.7107","MoKα","","","0.045","","","0.056","","","","","1.29","1.29","","","","","has coordinates","198479","2020-10-21","18:00:00",""
"2009477","9.398","0.001","18.422","0.002","12.663","0.001","90","","91.46","0.01","90","","2191.6","0.4","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N5 O5 -","- C21 H25 N5 O5 -","- C84 H100 N20 O20 -","4","2","NA1033","Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.","Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives","Acta Crystallographica Section C","1994","50","2","239","245","10.1107/S0108270193006997","","","0.71069","MoKα","","","0.034","","","0.041","","","","","0.7469","0.7469","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009502","8.651","0.004","19.133","0.019","10.832","0.006","90","","99.76","0.04","90","","1767","2","295","","","","","","","","","","","5","P 1 21 1","","","","","","- C35 H43 N2 O9 P -","- C36 H48 N2 O9 P -","- C72 H96 N4 O18 P2 -","2","1","ST1082","Capron, Mark A.; McEldoon, Wenkui L.; Baenziger, Norman C.; Wiemer, David F.","Structure of a modified nucleoside, 3'α-diethylphosphono-3'β-hydroxy-5'-O-tritylthymidine","Acta Crystallographica Section C","1994","50","2","291","294","10.1107/S0108270193008662","","","0.71073","MoKα","","","0.066","","","0.097","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009504","11.592","0.001","8.031","0.002","15.597","0.001","90","","109.32","0.02","90","","1370.2","0.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H34 O11 -","- C29 H34 O11 -","- C58 H68 O22 -","2","1","AB1044","Sekar, K.; Parthasarathy, S.; Mathuram, V.","Structure of trijugin A","Acta Crystallographica Section C","1994","50","3","460","462","10.1107/S0108270193008431","","","1.5418","CuKα","","","0.042","","","0.05","","","","","1.089","1.089","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009526","6.6289","0.0005","12.5448","0.0014","49.81","0.004","90","","90.068","0.006","90","","4142.1","0.6","294","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20R,23S,24R)-5α-dinosteran-29-ol","","- C30 H54 O -","- C30 H53 O -","- C180 H318 O6 -","6","3","CR1061","Brock, Carolyn Pratt; Stoilov, Ivan; Watt, David S.","A steroid derivative that crystallizes with three molecules in the asymmetric unit","Acta Crystallographica Section C","1994","50","3","434","438","10.1107/S0108270193009230","","","0.7107","MoKα","","","0.075","","","0.068","","","","","2.62","2.62","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009528","8.866","0.001","9.534","0.001","9.245","0.001","90","","92.92","0.01","90","","780.45","0.15","296","","296","","","","","","","","","5","P 1 21 1","","","","(4aR,8R,SR)-4a-Hydroxy-8-(p-tolylsulfinyl)- 2,3,4,4a,5,6,7,8-octahydroquinoline","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C32 H42 N2 O4 S2 -","2","1","CR1077","Robinson, Paul D.; Hua, Duy H.; Wang, Hui; Chen, Jin Shan; Good, Linda A.","(4aR,8R,SR)-8-(p-Tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol","Acta Crystallographica Section C","1994","50","3","425","428","10.1107/S0108270193009321","","","0.71069","MoKα","","","0.03","","","0.035","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009538","11.441","0.004","16.666","0.001","10.251","0.003","90","","115.34","0.01","90","","1766.6","0.8","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 N3 O9 S -","- C36 H37 N3 O9 S -","- C72 H74 N6 O18 S2 -","2","1","HU1040","Dianez, M.J.; Estrada, M.D.; Perez-Garrido, S.; Lopez-Castro, A.","3-[(2R,3R)-3-(4-Dimethylaminophenyl)-2-phenyl-2,3-epithiopropanoyl]-1-phenyl-(3,5,6-tri-O-acetyl-1,2-dideoxy-α-D-glucofuranoso)[1,2-d]imidazolidin-2-one","Acta Crystallographica Section C","1994","50","3","442","444","10.1107/S0108270193010133","","","0.7107","MoKα","","","0.04","","","0.04","","","","","1.16","1.16","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009558","9.523","0.002","12.849","0.003","17.079","0.003","90","","92.67","0.03","90","","2087.5","0.8","291","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N6 S3 Sn -","- C16 H18 N6 S3 Sn -","- C64 H72 N24 S12 Sn4 -","4","2","SE1034","Schmiedgen, R.; Huber, F.; Schürmann, M.","n-Butyltris(2-pyrimidinethiolato-N,S)tin(IV)","Acta Crystallographica Section C","1994","50","3","391","394","10.1107/S0108270193008315","","","0.71073","MoKα","","","0.0293","","","0.0231","","","","","0.75","0.75","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009579","14.556","0.002","11.759","0.002","9.473","0.002","90","","104.1","0.2","90","","1572.6","1.5","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","(Z)-Aib-Gly-L-Ile-L-Leu-OMe_monohydrate","N^α^-benzyloxycarbonyl-α-aminoisobutyryl-glycyl-L-isoleucyl- L-leucine methyl ester monohydrate","","- C27 H44 N4 O8 -","- C27 H44 N4 O8 -","- C54 H88 N8 O16 -","2","1","AD1000","Crisma, Marco; Valle, Giovanni; Monaco, Vania; Formaggio, Fernando; Toniolo, Claudio","N^{α^}-Benzyloxycarbonyl-α-aminoisobutyrylglycyl-L-isoleucyl-L-leucine methyl ester monohydrate","Acta Crystallographica Section C","1994","50","4","563","565","10.1107/S0108270193010595","","","0.7107","MoKα","","","0.045","","","0.049","","","","","0.892","0.892","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009592","4.965","0.001","18.692","0.004","9.15","0.001","90","","96.1","0.02","90","","844.4","0.3","150","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N6 O7 -","- C10 H22 Cu N6 O7 -","- C20 H44 Cu2 N12 O14 -","2","1","BR1046","Parvez, M.; Birdsall, W. J.","Diamminebis[5-methylpyrimidine-2,4(1H,3H)dionato(1‒)-N^3^]copper(II) trihydrate","Acta Crystallographica Section C","1994","50","4","540","542","10.1107/S0108270193009886","","","0.71069","MoKα","","","0.049","","","0.051","","","","","2.28","2.28","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009608","5.0084","0.0006","20.367","0.003","5.2057","0.0005","90","","105.198","0.008","90","","512.44","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo-L-alanyl-D-phenylglycine","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","CR1093","Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.","Two cyclic dipeptide anticonvulsants: cyclo-glycyl-L-phenylglycine (1) and cyclo-L-alanyl-D-phenylglycine (2)","Acta Crystallographica Section C","1994","50","4","565","569","10.1107/S0108270193010467","","","1.54178","CuKα","","0.0473","0.0462","","0.1218","0.1174","","","","1.096","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009641","6.9898","0.0008","7.3709","0.0008","13.41","0.002","90","","97.46","0.01","90","","685.05","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","NA1065","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Absolute configuration of (I) (‒)-(3S,4R)- and (II) (‒)-(3S,4S)-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","Acta Crystallographica Section C","1994","50","4","560","562","10.1107/S0108270193011801","","","1.54184","CuKα","","0.0413","0.0383","","0.0622","0.0549","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009666","11.4069","0.0018","16.2441","0.0008","11.8091","0.0017","90","","118.187","0.009","90","","1928.7","0.5","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-bis(triphenylphosphite)tetracarbonylmolybdenum(0)","","- C40 H30 Mo O10 P2 -","- C40 H30 Mo O10 P2 -","- C80 H60 Mo2 O20 P4 -","2","1","AB1120","Alyea, Elmer C.; Ferguson, George; Zwikker, Michèle","cis-Tetracarbonylbis(triphenyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1994","50","5","676","678","10.1107/S0108270193013034","","","0.7093","MoKα","","0.072","0.028","","0.039","0.035","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009680","10.9127","0.0009","7.9906","0.0008","10.8248","0.0009","90","","93.456","0.007","90","","942.2","0.15","293","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H17 P -","- C26 H17 P -","- C52 H34 P2 -","2","1","AS1077","Tani, K.; Yamagata, T.; Tashiro, H.","Molecular structure and absolute configuration of (P)-7-phenyldinaphtho[2,1-b;1',2'-d]phosphole","Acta Crystallographica Section C","1994","50","5","769","771","10.1107/S0108270193010625","","","1.5418","CuKα","","","0.0386","","","0.0463","","","","","1.771","1.771","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009681","10.558","0.001","20.351","0.001","7.326","0.002","90","","106.22","0.01","90","","1511.5","0.4","297","","","","","","","","","","","3","P 1 21 1","","","","23(S)-acetoxy-11β-hydroxy-13β,17β;24(R),25-dioxido-3-oxo- protostane","","- C32 H50 O6 -","- C32 H50 O6 -","- C64 H100 O12 -","2","1","AS1083","Kentaro Yamaguchi; Yoshiteru Ida; Yoshijiroh Nakajima; Yohko Satoh; Junzo Shoji","Absolute stereostructure of 13,17-epoxyalisol B 23-acetate isolated from Alisma orientale","Acta Crystallographica Section C","1994","50","5","736","738","10.1107/S0108270193012193","","","1.5405","CuKα~1~","","","0.04","","","0.038","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009692","9.218","0.001","7.279","0.002","10.957","0.003","90","","110.43","0.02","90","","688.9","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O8 -","- C11 H16 N2 O8 -","- C22 H32 N4 O16 -","2","1","HA1071","Aakeröy, C.B.; Hitchcock, P.B.","1H-Benzimidazolium hydrogen L-tartrate dihydrate","Acta Crystallographica Section C","1994","50","5","759","761","10.1107/S0108270193014258","","","0.71069","MoKα","","","0.03","","","0.039","","","","","1.6","1.6","","","","","has coordinates","205895","2020-10-21","18:00:00",""
"2009710","5.942","0.001","4.868","0.002","20.104","0.005","90","","95.94","0.02","90","","578.4","0.3","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl O S -","- C13 H9 Cl O S -","- C26 H18 Cl2 O2 S2 -","2","1","HU1058","Youping, H.; Jianqiu, S.; Genbo, S.","3-(4-Chlorophenyl)-1-(3-thienyl)-2-propen-1-one","Acta Crystallographica Section C","1994","50","5","804","805","10.1107/S0108270193010947","","","0.71069","MoKα","","","0.051","","","0.065","","","","","1.64","1.64","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009716","8.372","0.001","6.257","0.002","22.299","0.002","90","","99.44","0.01","90","","1152.3","0.4","292","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H30 O12 -","- C25 H29 O12 -","- C50 H58 O24 -","2","1","LI1066","Zukerman-Schpector, J.; Castellano, E.E.; Rodrigues Fho, E.; Cursino V., I.J.","A new quassinoid isolated from Picrolemma pseudocoffea","Acta Crystallographica Section C","1994","50","5","794","797","10.1107/S0108270193011357","","","0.71073","MoKα","","","0.045","","","0.049","","","","","1.8","1.8","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009727","4.9635","0.0004","21.935","0.002","6.7924","0.0005","90","","101.096","0.006","90","","725.69","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-β-D-Ribofuranosyl-6,7-dihydro-9H-thiazolo[3,2-a]purin-9-one","","- C12 H16 N4 O6 S -","- C12 H16 N4 O6 S -","- C24 H32 N8 O12 S2 -","2","1","OH1058","Liaw, Yen-Chywan; Wang, Andrew H.-J.; Lin, Guo-Sen; Chern, Ji-Wang","3-β-D-Ribofuranosyl-6,7-dihydro-9H-thiazolo[3,2-a]purin-9-one hydrate","Acta Crystallographica Section C","1994","50","5","734","736","10.1107/S0108270193011850","","","1.54178","CuKα","","0.0226","0.0222","","0.06","0.0597","","","","1.078","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009750","10.277","0.002","5.26","0.002","12.07","0.003","90","","93.36","0.02","90","","651.3","0.3","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H14 O10 S2 -","- C8 H14 O10 S2 -","- C16 H28 O20 S4 -","2","1","AB1094","Søtofte, I.","2,6-Dimesyl-D-manno-hexono- (III), 2,6-dimesyl-D-allo-hexono- (IV) and 2,6-dimesyl-D-gulo-hexono-1,4-lactone (V)","Acta Crystallographica Section C","1994","50","6","941","945","10.1107/S0108270193010224","","","0.71073","MoKα","","","0.04","","","0.041","","","","","1.21","1.21","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009751","5.711","0.003","8.941","0.003","12.99","0.005","90","","101.71","0.03","90","","649.5","0.5","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H14 O10 S2 -","- C8 H14 O10 S2 -","- C16 H28 O20 S4 -","2","1","AB1094","Søtofte, I.","2,6-Dimesyl-D-manno-hexono- (III), 2,6-dimesyl-D-allo-hexono- (IV) and 2,6-dimesyl-D-gulo-hexono-1,4-lactone (V)","Acta Crystallographica Section C","1994","50","6","941","945","10.1107/S0108270193010224","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.19","1.19","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009776","13.322","0.004","5.367","0.002","16.266","0.005","90","","112.88","0.02","90","","1071.5","0.6","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-6-phenyl-(E)-hex-5-enoate","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","HA1079","Clegg, William; Jackson, Richard F.W.; O'Neil, Paul A.; Wishart, Neil","An enantiomerically pure 4-oxo-α-amino acid derivative","Acta Crystallographica Section C","1994","50","6","965","967","10.1107/S0108270194000041","","","0.71073","MoKα","","0.0506","0.0341","","0.0924","0.0822","","","","1.062","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009797","7.815","0.001","10.019","0.001","9.338","0.001","90","","93.58","0.01","90","","729.72","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","hydrazinium(1+) hexafluorotitanate(IV)","","- F6 H10 N4 Ti -","- F6 H10 N4 Ti -","- F24 H40 N16 Ti4 -","4","2","NA1062","Leban, Ivan; Jesih, Adolf; Rahten, Anka","Hydrazinium(1+) hexafluorotitanate(IV), 2N~2~H~5~^+^.TiF~6~^2{-^}","Acta Crystallographica Section C","1994","50","6","842","843","10.1107/S0108270193011795","","","0.7107","MoKα","","0.0653","0.0355","","0.104","0.0923","","","","1.04","1.069","1.069","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009818","9.4746","0.0009","8.7696","0.0003","10.1455","0.0005","90","","117.371","0.005","90","","748.6","0.09","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cd4 H6 O15 Se4 -","- Cd4 O15 Se4 -","- Cd8 O30 Se8 -","2","1","AB1066","Valkonen, J.","Cadmium selenite‒water (4/3) and two polymorphic forms of cadmium selenite","Acta Crystallographica Section C","1994","50","7","991","994","10.1107/S0108270193011278","","","0.71073","MoKα","","","2.4","","","2.8","","","","","1.82","1.82","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009865","5.923","0.001","15.708","0.002","8.421","0.002","90","","105.7","0.02","90","","754.2","0.3","296","","","","","","","","","","","4","P 1 21 1","","","","(R)-(+)-2-phenylpropyl p-toluenesulfonate","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","HA1081","Gallardo, Hugo; Merlo, Aloir A.; Vencato, Ivo; Mascarenhas, Yvonne P.","(R)-(+)-2-Phenylpropyl p-toluenesulfonate, C~16~H~18~O~3~S","Acta Crystallographica Section C","1994","50","7","1093","1095","10.1107/S0108270193014532","","","0.7093","MoKα","","","0.055","","","0.065","","","","","3.84","3.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009902","6.448","0.003","6.394","0.001","21.392","0.004","90","","95.37","0.03","90","","878.1","0.5","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","sodium cyclododecylsulfate trihydrate","","- C12 H29 Na O7 S -","- C12 H27 Na O7 S -","- C24 H54 Na2 O14 S2 -","2","1","SE1041","Rudert, Rainer; Vollhardt, Dieter; Czichocki, Gunther","Sodium cyclododecyl sulfate trihydrate, Na^+^.C~12~H~23~O~4~S^{‒^}.3H~2~O","Acta Crystallographica Section C","1994","50","7","1054","1057","10.1107/S0108270193013897","","","1.54178","CuKα","","","0.059","","","0.038","","","","","3.064","3.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009907","9.873","0.001","6.129","0.001","11.594","0.001","90","","108.23","0.01","90","","666.36","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","SH1078","Bolte, M.; Egert, E.","A 2,5-diketomorpholine","Acta Crystallographica Section C","1994","50","7","1117","1118","10.1107/S0108270193012867","","","0.7107","MoKα","","","0.032","","","0.045","","","","","1.79","1.79","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009917","6.618","0.003","7.436","0.001","19.242","0.008","90","","92.36","0.02","90","","946.1","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","meso-2,2'-[1,6-Bis(methylamino)-3,4-dithia-1,6-hexanediyl]diphenol","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C36 H48 N4 O4 S4 -","2","1","AB1127","Bolte, Michael","Refinement of a twinned structure with SHELXL93: meso-2,2'-[1,6-bis(methylamino)-3,4-dithia-1,6-hexanediyl]diphenol","Acta Crystallographica Section C","1994","50","8","1368","1370","10.1107/S0108270193014507","","","1.5418","CuKα","","0.0852","0.0777","","0.4129","0.2039","","","","1.133","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009920","11.775","0.001","7.763","0.001","16.283","0.001","90","","93.79","0.01","90","","1485.2","0.2","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3,4,5,6-Penta-O-acetyl-D-galactonic Acid 1'-Phenyl-2'-ethoxycarbonylvinyl Ester","","- C27 H32 O14 -","- C27 H32 O14 -","- C54 H64 O28 -","2","1","AB1135","Kopf, Jürgen; Abeln, Dirk; Köll, Peter; Meisel, Roland; Peseke, Klaus","2,3,4,5,6-Penta-O-acetyl-D-galactonic acid 1'-phenyl-2'-ethoxycarbonylvinyl ester","Acta Crystallographica Section C","1994","50","8","1335","1337","10.1107/S0108270194001071","","","1.54178","CuKα","","0.043","0.0412","","0.115","0.1124","","","","1.038","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009969","8.707","0.004","15.49","0.01","10.476","0.005","90","","105.74","0.06","90","","1359.9","1.3","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O4 P Rh -","- C28 H34 N4 O4 P Rh -","- C56 H68 N8 O8 P2 Rh2 -","2","1","KA1050","Kettmann, V.; Dunaj-Jurυ co, M.; Steinborn, D.; Ludwig, M.","Bis(dimethylglyoximato-N,N')(ethyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1994","50","8","1239","1241","10.1107/S0108270194000107","","","0.71069","MoKα","","","0.052","","","0.05","","","","","1.42","1.42","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009972","9.314","0.003","18.889","0.004","10.036","0.001","90","","95.47","0.02","90","","1758","1","293","","","","","","","","","","","3","P 1 21 1","","","","","","- C28 H40 O18 -","- C28 H40 O18 -","- C56 H80 O36 -","2","1","","Lewinski, Krzysztof; Marshall, James A.; Beaudoin, Serge","(2S,3R,4S,5R,6S,7R,8R,9S)-1,2,3,4,5,6,7,8,9-Nonaacetoxydecane","Acta Crystallographica Section C","1994","50","","1366","1372","","","","","","","","0.046","","","0.05","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009978","8.014","0.002","16.84","0.003","8.501","0.001","90","","93.53","0.01","90","","1145.1","0.4","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Co N6 O S3 -","- C18 H23 Co N6 O S3 -","- C36 H46 Co2 N12 O2 S6 -","2","1","MU0310","Seth, S.","Tris(4,6-dimethylpyrimidine-2-thiolato-N,S)cobalt(III) monohydrate: a complex with three stable four-membered N,S-chelate rings","Acta Crystallographica Section C","1994","50","8","1196","1199","10.1107/S010827019301159X","","","0.71073","MoKα","","","0.053","","","0.048","","","","","1.365","1.365","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009979","13.132","0.002","9.433","0.003","9.414","0.002","90","","103.09","0.01","90","","1135.8","0.5","292","","292","","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-Ammine(benzoylhydrazine-N)dichloroplatinum(II)","","- C7 H11 Cl2 N3 O Pt -","- C7 H11 Cl2 N3 O Pt -","- C28 H44 Cl8 N12 O4 Pt4 -","4","2","MU1101","Macíček, Josef; Dodoff, Nicolay; Spassovska, Nadejda","cis-Ammine(benzoylhydrazine-N)dichloroplatinum(II)","Acta Crystallographica Section C","1994","50","8","1214","1217","10.1107/S0108270194001757","","","0.71073","MoKα","","0.174","0.038","","0.188","0.038","","","","5.066","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010011","9.991","0.002","15.521","0.003","15.667","0.003","90","","95.67","0.02","90","","2417.6","0.8","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H78 O6 Sm -","- C46 H54 O6 Sm -","- C92 H108 O12 Sm2 -","2","1","AL1056","Qi, G.-Z.; Shen, Q.; Lin, Y.-H.","A bis(2,6-di-tert-butyl-4-methylphenolato)samarium(II) complex, [Sm(OAr)~2~(thf)~3~].thf","Acta Crystallographica Section C","1994","50","9","1456","1458","10.1107/S0108270193014234","","","0.71073","MoKα","","","0.057","","","0.059","","","","","0.966","0.966","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010037","9.21","0.0011","10.156","0.002","17.575","0.002","90","","103.631","0.01","90","","1597.6","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","","","","(1R,4S,5R,6R,8R)-1-ethyl-6-(N-imidazolyl)carbonyloxy-4,6,8- trimethyl-2,9-dioxabicyclo[3.3.1]nonane","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","2","HH1043","Lynch, Vincent M; Lee, Wen-Cherng; Martin, Stephen F.; Davis, Brian E.","A novel dioxabicyclo[3.3.1]nonane, a key intermediate in the synthesis of erythronolide B seco-acid","Acta Crystallographica Section C","1994","50","9","1467","1469","10.1107/S0108270193012880","","","0.71069","MoKα","","0.0459","0.0336","","0.0367","0.0336","","","","","1.07","1.07","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010113","9.078","0.002","7.518","0.005","9.78","0.002","90","","112.71","0.01","90","","615.7","0.5","290","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 Cl N6 O2 -","- C9 H11 Cl N6 O2 -","- C18 H22 Cl2 N12 O4 -","2","1","LI1090","Lowe, P.R.; Schwalbe, C.H.","DCMCIT, an analogue of the antitumour drugs mitozolomide and temozolomide","Acta Crystallographica Section C","1994","50","10","1629","1631","10.1107/S0108270194002507","","","0.71069","MoKα","","","0.0345","","","0.0405","","","","","0.8","0.8","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010115","10.052","0.005","17.349","0.008","8.518","0.005","90","","109.5","0.1","90","","1400.3","1.5","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Cl N O2 Ru -","- C12 H18 Cl N O2 Ru -","- C48 H72 Cl4 N4 O8 Ru4 -","4","2","MU1096","Carter, L.C.; Davies, D.L.; Duffy, K.T.; Fawcett, J.; Russell, D.R.","[(η^6^-C~6~H~3~Me~3~)Ru(L-Ala)Cl]","Acta Crystallographica Section C","1994","50","10","1559","1561","10.1107/S0108270194006220","","","0.71073","MoKα","","","0.0492","","","0.0522","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010133","12.923","0.002","7.5697","0.0011","13.743","0.002","90","","113.749","0.012","90","","1230.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl-(1',2',3',4'-tetraacetoxy)- butane-2-oxide","","- C23 H29 N O11 -","- C23 H30 N O11 -","- C46 H60 N2 O22 -","2","1","AB1162","Czarnocki, Zbigniew; Maurin, Jan K.; Winnicka-Maurin, Małgorzata","Enantioselective synthesis of isoquinoline alkaloids from simple sugar. II. Structure of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1,2,3,4-butanetetrayl tetraacetate N-oxide","Acta Crystallographica Section C","1994","50","11","1779","1781","10.1107/S0108270194003094","","","1.5418","CuKα","","0.0538","0.0515","","0.1471","0.1439","","","","1.03","1.043","1.043","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010145","10.049","0.002","4.679","0.001","14.429","0.001","90","","107.28","0.03","90","","647.8","0.2","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 I O6 -","- C12 H15 I O6 -","- C24 H30 I2 O12 -","2","1","AS1093","Banerjee, R.; Das, K.; Ganesh, V.; Banerjee, P.; Surolia, A.; Vijayan, M.","1-O-(2-Iodophenyl)-β-D-galactopyranose","Acta Crystallographica Section C","1994","50","11","1726","1728","10.1107/S0108270194001836","","","0.7107","MoKα","","","0.031","","","0.035","","","","","0.715","0.715","","","","","has coordinates","205897","2020-10-21","18:00:00",""
"2010196","10.888","0.008","5.095","0.003","10.923","0.008","90","","111.16","0.05","90","","565.1","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-chloro-2-oxopropyltosylate","3-Chloro-2-oxopropyl-p-toluenesulfonate","","- C10 H11 Cl O4 S -","- C10 H11 Cl O4 S -","- C20 H22 Cl2 O8 S2 -","2","1","HU1109","Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey","3-Chloro- and 3-bromo-2-oxopropyl-p-toluenesulfonate","Acta Crystallographica Section C","1994","50","11","1825","1828","10.1107/S0108270194006499","","","0.71073","MoKα","","0.0423","0.0341","","0.1033","0.0905","","","","1.061","1.072","1.072","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010198","8.981","0.006","25.31","0.006","7.545","0.003","90","","109.11","0.03","90","","1620.5","1.3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N O -","- C19 H24 F N O -","- C76 H96 F4 N4 O4 -","4","2","KA1034","Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M.","D-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","1994","50","11","1745","1747","10.1107/S0108270193012545","","","0.71069","MoKα","","","0.051","","","0.055","","","","","0.349","0.349","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010217","7.503","0.001","19.33","0.002","10.957","0.002","90","","102.91","0.02","90","","1549","0.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","2","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.041","","","0.048","","","","","1.27","1.27","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010228","5.011","0.0004","13.01","0.003","8.922","0.001","90","","93.15","0.008","90","","580.77","0.16","287","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C20 H30 N6 O10 -","2","1","ST1089","Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V.","Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~","Acta Crystallographica Section C","1994","50","11","1837","1839","10.1107/S0108270194001472","","","1.5418","CuKα","","","0.03","","","0.036","","","","","3.274","3.274","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010230","25.543","0.004","6.5659","0.0008","8.6913","0.0012","90","","93.663","0.011","90","","1454.7","0.4","122","0.5","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","2","AB1136","Diego, H. Lopez de","(R,S)-1-Phenylethylammonium (S)-mandelate","Acta Crystallographica Section C","1994","50","12","1995","1998","10.1107/S0108270194003884","","","1.5418","CuKα","","","0.0533","","","0.1487","","","","","1.059","1.059","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010237","10.793","0.002","8.168","0.002","11.289","0.002","90","","91.3","0.03","90","","995","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Acetylandrost-4-ene-3-one[16,17-d]-3'-methylpyrazole","","- C23 H30 N2 O3 -","- C23 H30 N2 O2 -","- C46 H60 N4 O4 -","2","1","AB1175","Lindeman, Sergey V.; Yanovsky, Alexandr I.; Struchkov, Yurii T.; Huipe Nava, Ezequiel; Kamernitzky, Alexey V.; Skorova, Alina V.; Vesela, Irina V.","N^1^-Acetyl-3'-methylandrosta-4,16-dieno[16,17-d]pyrazole-3-one","Acta Crystallographica Section C","1994","50","12","2054","2056","10.1107/S0108270194004737","","","0.71069","MoKα","","0.0524","0.0513","","0.1284","0.127","","","","1.053","1.053","1.053","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010241","13.559","0.003","5.936","0.003","16.339","0.003","90","","107.8","0.02","90","","1252.1","0.7","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl N5 O5 -","- C6 H16 Cl N5 O5 -","- C24 H64 Cl4 N20 O20 -","4","2","AS1098","Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S.","L-Nitroarginine monohydrochloride monohydrate","Acta Crystallographica Section C","1994","50","12","2041","2043","10.1107/S0108270194004208","","","0.71069","MoKα","","","0.056","","","0.057","","","","","1.59","1.59","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010243","5.44","0.001","10.108","0.001","11.484","0.002","90","","103.03","0.02","90","","615.22","0.17","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 Cl N5 O4 -","- C7 H16 Cl N5 O4 -","- C14 H32 Cl2 N10 O8 -","2","1","AS1106","Okabe, N.; Ikeda, K.; Kohyama, Y.","N^{η^}-Nitro-L-arginine methyl ester hydrochloride","Acta Crystallographica Section C","1994","50","12","2088","2089","10.1107/S0108270194004609","","","0.71069","MoKα","","","0.048","","","0.052","","","","","1.58","1.58","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010303","6.193","0.002","10.609","0.002","15.492","0.004","90","","86.42","0.02","90","","1015.9","0.5","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","HU1124","Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J.","Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift","Acta Crystallographica Section C","1994","50","12","2085","2087","10.1107/S0108270194006074","","","0.70926","MoKα","","","0.0407","","","0.0429","","","","","0.241","0.241","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010314","13.183","0.005","7.831","0.002","9.213","0.004","90","","95.11","0.02","90","","947.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-ethylthio-5-methyl-cyclododeca-6,7,8,9,10,11,12,13,14,15-decahydro [b]indole,","","- C21 H31 N S -","- C21 H31 N S -","- C42 H62 N2 S2 -","2","1","LI1099","Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte","2-Ethylthio-5-methyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]indole: an unexpected product from the demethylation of an indole using Fujita's reagent","Acta Crystallographica Section C","1994","50","12","1916","1919","10.1107/S0108270194003100","","","1.54056","X-rayCuKα~1~","","0.0601","0.0326","","0.092","0.0716","","","","0.949","1.013","1.013","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010340","6.592","0.001","9.831","0.001","18.053","0.001","90","","97","0.01","90","","1161.2","0.2","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl3 N3 O6 -","- C20 H24 Cl3 N3 O6 -","- C40 H48 Cl6 N6 O12 -","2","1","SE1052","Bolte, M.","A deoxyuridine derivative","Acta Crystallographica Section C","1994","50","12","2045","2047","10.1107/S0108270194005470","","","1.5418","CuKα","","","0.069","","","0.081","","","","","2.29","2.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010346","7.717","0.006","7.371","0.011","14.901","0.018","90","","94.38","0.1","90","","845.1","1.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1H-3-benzazepine","","- C16 H18 Cl3 N O3 -","- C16 H18 Cl3 N O3 -","- C32 H36 Cl6 N2 O6 -","2","1","SH1101","Pohl, Ehmke; Herbst-Irmer, Regine; Schimpf, Ralph; Tietze, Lutz F.","(+)-N-Trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1H-3-benzazepine at 153 K","Acta Crystallographica Section C","1994","50","12","1978","1980","10.1107/S010827019400538X","","","0.71073","MoKα","","0.0339","0.0328","","0.0858","0.0841","","","","1.078","1.079","1.079","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010351","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica Section C","1995","51","","134","135","","","","","","","","0.0401","","","0.1064","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010354","7.804","0.001","11.754","0.002","14.443","0.002","90","","103.57","0.02","90","","1287.8","0.3","300","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","AL1034","Dey, I.; Banerjee, A.","7β,8β-Epoxyfriedelane","Acta Crystallographica Section C","1995","51","1","119","121","10.1107/S0108270194003082","","","1.54182","CuKα","","","0.064","","","0.062","","","","","1.855","1.855","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010397","11.677","0.002","7.064","0.002","17.078","0.002","90","","94.22","0.02","90","","1404.9","0.5","143","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 Ni O14 S2 -","- C20 H42 Ni O14 S2 -","- C40 H84 Ni2 O28 S4 -","2","1","OH1067","Henderson, W.; Nicholson, B.K.","Hexaaquanickel(II) D-Camphor-10-sulfonate","Acta Crystallographica Section C","1995","51","1","37","40","10.1107/S0108270194006542","","","0.71073","MoKα","","","0.0491","","","0.0721","","","","","1.038","1.038","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010404","9.631","0.002","5.491","0.001","9.895","0.001","90","","92.04","0.01","90","","522.95","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 O2 S5 -","- C7 H6 O2 S5 -","- C14 H12 O4 S10 -","2","1","PA1109","Faulmann, C.; Cassoux, P.; Kotov, A.I.; Yagubskii, E.B.","4a,6,7,8a-Tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-b][1,4]dioxine-2-thione. A Precursor for the Preparation of New Donor Molecules and Derived Conducting Cation Radical Salts","Acta Crystallographica Section C","1995","51","1","149","151","10.1107/S0108270194007286","","","0.71069","MoKα","","","3.9","","","4.5","","","","","0.89","0.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010407","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.37","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","R. Retoux; L. Girodier; F. Rouessac","(-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica Section C","1995","51","","146","148","","","","","","","","0.0329","","","0.0912","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010472","9.609","0.005","5.648","0.003","10.491","0.005","90","","91.63","0.04","90","","569.1","0.5","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Zn -","- C10 H14 N2 O4 Zn -","- C20 H28 N4 O8 Zn2 -","2","1","LI1042","Ng, C.-H.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Chinnakali, K.","Bis(L-prolinato-N,O)zinc(II)","Acta Crystallographica Section C","1995","51","2","244","245","10.1107/S0108270194009340","","","0.71069","MoKα","","","0.0269","","","0.0362","","","","","0.96","0.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010501","10.087","0.003","11.044","0.003","12.342","0.003","90","0.02","113.86","0.02","90","0.02","1257.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","nimonol","Nimonol","","- C28 H36 O5 -","- C28 H36 O5 -","- C56 H72 O10 -","2","1","BK1476","Kabaleeswaran, V.; Malathi, R.; Rajan, S.S.; Suresh, G.; Narashiman, N.S.","Nimonol and 6-oxonimonol","Acta Crystallographica Section C","2000","56","1","82","84","10.1107/S0108270199011609","","","1.5418","CuKα","","0.0645","0.0623","","","","0.1941","","","","","","1.153","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010503","9.728","0.002","8.414","0.002","11.674","0.002","90","","92.23","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","α-haloketal, (1'R,4S,5S)-Dimethyl 2-(1'-bromoethyl)-2- (3"",4""-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate","","- C17 H21 Br O8 -","- C17 H21 Br O8 -","- C34 H42 Br2 O16 -","2","1","BK1479","Ferri, Pedro H.; Lariucci, Carlito; Homar, Leon I. B.; Santos, Raquel F.; Maia, Elaine R.; Santos, Lourivaldo S.; Vencato, Ivo","α-Haloketal (1'R,4S,5S)-dimethyl 2-(1'-bromoethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate","Acta Crystallographica Section C","2000","56","1","118","120","10.1107/S0108270199012962","","","0.71073","MoKα","","0.0924","0.035","","","","0.086","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010544","8.571","0.0007","6.4665","0.0003","9.8502","0.0008","90","","106.783","0.003","90","","522.69","0.07","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","NA1422","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","({-})-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol","Acta Crystallographica Section C","2000","56","1","74","75","10.1107/S0108270199014122","","","0.71069","MoKα","","0.085","0.05","","","","0.187","","","","","","0.721","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010572","9.717","0.002","9.495","0.001","17.542","0.003","90","","97.13","0.01","90","","1606","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R)-N,N-bis(8-quinoline sulfonylamino)-1,2-diphenylethylenediamine acetone (1\1)","","- C35 H32 N4 O5 S2 -","- C35 H26.006 N4 O5 S2 -","- C70 H52.012 N8 O10 S4 -","2","1","QB0144","Dong, Chune; Zhang, Junlong; Zhang, Liangfu; Yu, Zuolong","(1R,2R)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)ethylenediamine‒acetone (1/1)","Acta Crystallographica Section C","2000","56","1","e21","e21","10.1107/S0108270199015991","","","0.71073","MoKα","","0.0415","0.0319","","","","0.0742","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010583","6.2171","0.0006","12.5197","0.0009","12.2224","0.0009","90","","97.225","0.005","90","","943.79","0.13","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","SK1308","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(1R,2R)-2-(4-Methylenecyclohex-2-enyl)propyl (1R,4S)-camphanate","Acta Crystallographica Section C","2000","56","1","76","77","10.1107/S0108270199012561","","","0.71069","MoKα","","0.0477","0.0336","","","","0.086","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010588","8.0507","0.0008","12.0791","0.0012","10.2946","0.0008","90","","97.954","0.008","90","","991.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(-)-sparteine copper(II) diacetate","{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano- 2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-N,N'}bis(acetato- O,O')copper(II)","","- C19 H32 Cu N2 O4 -","- C19 H32 Cu N2 O4 -","- C38 H64 Cu2 N4 O8 -","2","1","TA1266","Lee, Yong-Min; Chung, Geewon; Kwon, Mi-A; Choi, Sung-Nak","({-})-Sparteine copper(II) diacetate","Acta Crystallographica Section C","2000","56","1","67","68","10.1107/S0108270199012160","","","0.71069","MoKα","","0.054","0.042","","","","0.101","","","","","","1.315","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010613","6.1333","0.0008","24.365","0.003","8.0681","0.0006","90","","108.496","0.008","90","","1143.4","0.2","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclomicrobuxine","3β-(Dimethylamino)-16α-hydroxy-14-methyl-4-methylene-9,19-cyclo-5α- pregnan-20-one monohydrate","","- C25 H41 N O3 -","- C25 H41 N O3 -","- C50 H82 N2 O6 -","2","1","DA1099","Parvez, Masood; Atta-ur-Rahman; Choudhary, M. Iqbal; Parveen, Shehnaz; Ayatollahi, Syed Abdul Majid","Cyclomicrobuxine monohydrate","Acta Crystallographica Section C","2000","56","2","233","234","10.1107/S0108270199014420","","","0.71069","MoKα","","0.1373","0.0585","","","","0.2554","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010626","6.0272","0.0002","18.6624","0.0008","7.3642","0.0003","90","","98.148","0.001","90","","819.98","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S)-(2-N-methyl-N-4-toluenesulfonyl)amino-1-phenyl-1-propanol","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","HA1248","Chinnakali, Kandasamy; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","(1R,2S)-2-[N-Methyl-N-(4-toluenesulfonyl)amino]-1-phenylpropan-1-ol","Acta Crystallographica Section C","2000","56","2","227","228","10.1107/S0108270198017429","","","0.71073","MoKα","","0.048","0.041","","","","0.104","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010631","13.238","0.0011","5.9089","0.0004","16.3148","0.0015","90","","111.335","0.009","90","","1188.72","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid . L-(-)-ephedrine","(R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid L-(-)-ephedrine","","- C25 H28 Cl2 N2 O3 -","- C25 H28 Cl2 N2 O3 -","- C50 H56 Cl4 N4 O6 -","2","1","KA1342","Manfred Zabel; Josef Breu; Franz Rau; Klaus-Jürgen Range; Volker Krey; Anka Uffrecht; Armin Buschauer","Absolute configuration of ({-})-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid: essential information to determine crucial steric features of arpromidine-type histamine H~2~ receptor agonists","Acta Crystallographica Section C","2000","56","2","250","251","10.1107/S0108270199014699","","","0.71069","MoKα","","0.0769","0.0398","","","","0.0718","","","","","","0.721","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010657","9.9277","0.0002","16.4556","0.0003","12.4895","0.0002","90","","97.594","0.001","90","","2022.47","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionyl-L-alanine 2-propanol solvate","","- C14 H32 N2 O5 S -","- C14 H32 N2 O5 S -","- C56 H128 N8 O20 S4 -","4","2","QA0200","Görbitz, Carl Henrik","L-Methionyl-L-alanine‒2-propanol (1/2)","Acta Crystallographica Section C","2000","56","2","e64","e65","10.1107/S0108270100000548","","","0.71073","MoKα","","0.117","0.078","","","","0.202","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010673","10.758","0.002","15.879","0.003","11.04","0.002","90","","112.74","0.01","90","","1739.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","3-Ethoxy-4-[(1'R,2'S)-(2'-hydroxy-1',2'-diphenyl)ethylamino]-3-cyclobutene- 1,2-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","2","QB0166","Zhou, Haibing; Yuan, Yi; Chan, Albert S. C.; Yang, Teng-Kuei; Xie, Rugang","The new chiral ligand 3-ethoxy-4-[(1R,2S)-(2-hydroxy-1,2-diphenylethyl)amino]-3-cyclobutene-1,2-dione","Acta Crystallographica Section C","2000","56","2","e57","e57","10.1107/S0108270100000378","","","0.71073","MoKα","","0.07","0.038","","","","0.073","","","","","","0.846","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010701","4.786","0.001","13.03","0.003","8.727","0.002","90","","94.38","0.03","90","","542.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[2-(dimethylamino)-5-nitrophenyl]acetamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.052","0.034","","0.11","","0.085","","","1.041","","","1.061","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010722","8.869","0.002","9.836","0.002","12.225","0.006","90","","91.4","0.03","90","","1066.1","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,4R,5R,6R)-(6-(methoxycarbonyl)-2-(pivaloyloxymethyl)-4- (pivaloyloxy)bicyclo[3.1.0]hex-2-en-1-yl)-1-carboxylic acid","","- C20 H28 O8 -","- C20 H28 O8 -","- C40 H56 O16 -","2","1","GS1062","Chiaroni, Angèle; Riche, Claude; Cachet, Xavier; Deguin, Brigitte; Koch, Michel; Tillequin, François","(1S,4R,5R,6R)-6-Methoxycarbonyl-4-pivaloyloxy-2-(pivaloyloxymethyl)bicyclo[3.1.0]hex-2-ene-1-carboxylic acid","Acta Crystallographica Section C","2000","56","3","358","359","10.1107/S0108270199015309","","","1.5418","CuKα","","0.0428","0.0398","","0.1104","","0.1075","","","1.055","","","1.055","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010780","8.056","0.001","6.7586","0.0006","11.694","0.003","90","","102.93","0.01","90","","620.56","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","TA1278","Lovejoy, David B.; Richardson, Des. R.; Bernhardt, Paul V.","2-Hydroxy-1-naphthaldehyde 2-methylthiosemicarbazone","Acta Crystallographica Section C","2000","56","3","341","342","10.1107/S0108270199015140","","","0.71073","MoKα","","0.0472","0.0413","","","","0.1206","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010792","6.748","0.003","10.466","0.004","12.555","0.004","90","","92.36","0.03","90","","885.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate","","- C14 H19 I N2 O8 -","- C14 H19 I N2 O8 -","- C28 H38 I2 N4 O16 -","2","1","BM1390","Mazumdar, G.; De, M.; Mukhopadhyay, A.; Mazumdar, S. K.; Mazumder, N.; Das, A. K.; Knaus, Edward E.","Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue","Acta Crystallographica Section C","2000","56","4","494","495","10.1107/S0108270100000998","","","0.71069","MoKα","","0.044","0.036","","0.137","0.071","","","","0.928","0.925","0.925","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010804","4.8488","0.0001","14.8294","0.0004","6.0228","0.0002","90","","110.534","0.001","90","","405.553","0.019","153","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-Alanine","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C12 H24 N4 O8 -","2","1","DE1127","Görbitz, Carl Henrik","A new {`}hydrogen-bond rule' applied to the structure of L-seryl-L-alanine and pairs of dipeptide retroanalogues","Acta Crystallographica Section C","2000","56","4","500","502","10.1107/S0108270100001463","","","0.71073","MoKα","","0.059","0.057","","","","0.127","","","","","","1.342","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010811","11.56","0.001","8.4","0.001","13.954","0.001","90","0.01","103.41","0.01","90","0.01","1318","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O9 -","- C27 H25 N O9 -","- C54 H50 N2 O18 -","2","1","GS1061","Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez","Nouveaux dérivés de N-phtalimido-2-arylepropanoate de pantolactonyle","Acta Crystallographica Section C","2000","56","4","445","447","10.1107/S0108270199015292","","","0.71073","MoKα","","","0.062","","","","0.098","","","","","","1.653","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010818","13.425","0.003","7.4226","0.0012","15.0382","0.0017","90","","91.881","0.013","90","","1497.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-11-oxo-18α-olean-12-en-28-oic acid methyl ester","","- C33 H54 O5 -","- C33 H54 O5 -","- C66 H108 O10 -","2","1","JZ1368","Gzella, Andrzej","Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester","Acta Crystallographica Section C","2000","56","4","505","507","10.1107/S0108270199014602","","","1.54178","CuKα","","0.044","0.042","","","","0.124","","","","","","1.067","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010825","9.259","0.003","7.2787","0.001","9.767","0.003","90","","110.29","0.02","90","","617.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 3-iodo-1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 I N5 O3 -","- C10 H12 I N5 O3 -","- C20 H24 I2 N10 O6 -","2","1","LN1089","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2000","56","4","489","491","10.1107/S0108270100000780","","","0.71073","MoKα","","0.026","0.026","","","","0.069","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010826","9.093","0.0009","7.2595","0.001","9.6369","0.0019","90","","109.362","0.011","90","","600.16","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-3-bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 Br N5 O3 -","- C10 H12 Br N5 O3 -","- C20 H24 Br2 N10 O6 -","2","1","LN1089","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2000","56","4","489","491","10.1107/S0108270100000780","","","0.71073","MoKα","","0.04","0.035","","","","0.093","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010832","8.14","0.0009","7.178","0.002","9.081","0.001","90","","113.52","0.01","90","","486.51","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-acetyl-L-threoninate methylammonium","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C14 H32 N4 O8 -","2","1","NA1450","Puliti, Raffaella; Mattia, Carlo Andrea","Ammonium N-acetyl-L-threoninate and methylammonium N-acetyl-L-threoninate","Acta Crystallographica Section C","2000","56","4","496","499","10.1107/S0108270100001268","","","1.54056","CuKα","","0.0415","0.0412","","","","0.0487","","","","","","0.989","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010837","6.891","0.001","7.345","0.001","9.497","0.002","90","","92.46","0.03","90","","480.24","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,4R,5S)-2-(2-Hydroxyethyl)-3,4,5-trihydroxypiperidine hydrochloride","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C14 H32 Cl2 N2 O8 -","2","1","QA0204","Koman, Marian; Szolcsányi, Peter; Gracza, Tibor","(2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride","Acta Crystallographica Section C","2000","56","4","e138","e138","10.1107/S0108270100003231","","","0.71073","MoKα","","0.089","0.056","","0.276","","0.157","","","0.906","","","0.933","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010856","6.878","0.003","19.658","0.003","26.493","0.002","90","","91.33","0.02","90","","3581.1","1.7","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H56 O6 S2 Si -","- C32 H56 O6 S2 Si -","- C128 H224 O24 S8 Si4 -","4","2","QA0240","Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru","({-})-(3S)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol","Acta Crystallographica Section C","2000","56","4","e140","e141","10.1107/S010827010000336X","","","0.71073","MoKα","","","0.051","","","","0.13","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010872","7.1304","0.0004","6.9381","0.0004","13.415","0.0007","90","","90.901","0.004","90","","663.58","0.06","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-dihydro-2-(1,2-dihydroxyprop-2-yl)-8H-furo[2,3-h]benzopyran-8-one monohydrate","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","QB0188","Billiot, Fereshteh Haddadian; Billodeaux, Damon R.; Watkins, Steven F.; Fronczek, Frank R.","A chiral furocoumarin","Acta Crystallographica Section C","2000","56","4","e136","e137","10.1107/S0108270100002705","","","1.54184","CuKα","","0.038","0.036","","","","0.097","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010875","7.7763","0.0008","15.736","0.002","8.839","0.0014","90","","96.56","0.011","90","","1074.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(pyridilate)nickel(II)","bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)","","- C24 H18 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","- C48 H32 N8 Ni2 O12 -","2","1","QB0193","Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard","Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-O^1^,N,N']nickel(II)","Acta Crystallographica Section C","2000","56","4","e126","e127","10.1107/S0108270100003401","","","1.5418","CuKα","","0.055","0.044","","","","0.116","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010885","5.8228","0.0005","10.44","0.001","8.6217","0.0009","90","","99.57","0.01","90","","516.82","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Methyl-3-(methylsulfonyl)benzo[b]thiophene","2-Methyl-3-(methylsulfonyl)benzo[b]thiophene","","- C10 H10 O2 S2 -","- C10 H10 O2 S2 -","- C20 H20 O4 S4 -","2","1","BK1513","Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.","2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[b]thiophene","Acta Crystallographica Section C","2000","56","5","574","576","10.1107/S0108270100001402","","","0.71069","MoKα","","0.046","0.029","","","","0.109","","","","","","1.19","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010916","9.323","0.005","18.038","0.005","10.968","0.005","90","","106.57","0.005","90","","1767.9","1.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl (1S,2S,3R,4R)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo [2.2.1]heptane-2-carboxylate","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","2","JZ1375","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton","Acta Crystallographica Section C","2000","56","5","587","591","10.1107/S0108270100001645","","","0.71073","MoKα","","","0.04","","","","0.093","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011009","10.148","0.005","11.225","0.007","11.356","0.008","90","","99.44","0.02","90","","1276.1","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Haperforin D","methyl 6'-furanoyl-3-hydroxy-4,4,3',6',7a'-pentamethylperhydro-4H-furo[2,1-c]- pyran-2-spiro-1'-perhydroisobenzofuran-7'-spiro-2''-oxirane-3''-carboxylate","","- C27 H34 O10 -","- C27 H34 O10 -","- C54 H68 O20 -","2","1","GS1076","Chiaroni, Angèle; Riche, Claude; Khuong-Huu, Qui; Nguyen-Ngoc, Hanh; Nguyen-Viet, Kinh; Khuong-Huu, Françoise","New limonoids from Harrisonia perforata (Blanco) Merr.","Acta Crystallographica Section C","2000","56","6","711","713","10.1107/S0108270100003565","","","1.5418","CuKα","","0.0703","0.0656","","0.1692","","0.1554","","","1.087","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011020","7.092","0.008","30.78","0.03","7.126","0.007","90","","116.96","0.12","90","","1386","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-(Malonato)[(4R,5R)-4,5-bis(aminomethyl)-2,2-dimethyl- 1,3-dioxolane]platinum(II)","","- C10 H18 N2 O6 Pt -","- C10 H18 N2 O6 Pt -","- C40 H72 N8 O24 Pt4 -","4","2","OB1028","Cho, Sang Woo; Cho, Yongkee; Kim, Dae-Kee; Shin, Whanchul","cis-[(4R,5R)-4,5-Bis(aminomethyl)-2,2-dimethyl-1,3-dioxolane-N,N'](malonato-O,O')platinum(II), an anticancer agent","Acta Crystallographica Section C","2000","56","6","653","654","10.1107/S0108270100003577","","","0.71073","MoKα","","0.058","0.046","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011021","14.463","0.004","5.805","0.002","20.927","0.007","90","","101.27","0.04","90","","1723.1","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Octa-O-acetyl β,β-thio-Trehalose","","- C28 H38 O18 S -","- C28 H38 O18 S -","- C56 H76 O36 S2 -","2","1","OS1094","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Octa-O-acetyl-β,β-thiotrehalose","Acta Crystallographica Section C","2000","56","6","700","701","10.1107/S0108270100003681","","","0.71073","MoKα","","0.2942","0.0551","","","","0.1235","","","","","","1.321","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011046","9.0719","0.0002","18.9903","0.0008","10.1528","0.0003","90","","103.62","0.002","90","","1699.92","0.1","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","BINAP oxide","(R)-(+)-2,2'-bis(diphenylphosphinoyl)-1,1'-binaphthyl","","- C44 H32 O2 P2 -","- C44 H32 O2 P2 -","- C88 H64 O4 P4 -","2","1","QA0294","Bunten, Kevin A.; Farrar, David H.; Lough, Alan J.","(R)-(+)-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl","Acta Crystallographica Section C","2000","56","6","e267","e267","10.1107/S0108270100006508","","","0.71073","MoKα","","0.078","0.052","","","","0.099","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011091","9.44","0.001","9.366","0.001","9.741","0.001","90","","101.69","0.01","90","","843.39","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","21α-fluoro-7-norvouacapane-17β,21α-lactone","","- C20 H25 F O3 -","- C20 H25 F O3 -","- C40 H50 F2 O6 -","2","1","DA1124","Ruggiero, Silvana Guilardi; Gambardella, Maria Teresa do Prado; Branco, Marcelo Cardoso; Demuner, Antonio Jacinto; Barbosa, Luis Claudio A.; Piló-Veloso, Dorila","21α-Fluoro-7-norvouacapane-17β,21α-lactone","Acta Crystallographica Section C","2000","56","7","868","869","10.1107/S0108270100004790","","","0.71073","MoKα","","0.048","0.035","","","","0.097","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011099","16.146","0.003","8.66","0.002","19.096","0.004","90","","93.74","0.03","90","","2664.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","verticine","cevane-3β,6α,20-triol ethanol hydrate","","- C56 H98 N2 O8 -","- C56 H98 N2 O8 -","- C112 H196 N4 O16 -","2","1","DE1140","Zhang, Jin-Nan; Lin, Ge; Ho, Yee-Ping; Li, Ping; Chow, Albert H. L.","Verticine ethanol hydrate (2/1/1)","Acta Crystallographica Section C","2000","56","7","907","909","10.1107/S010827010000264X","","","0.71073","MoKα","","0.053","0.05","","","","0.12","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011109","9.198","0.004","12.771","0.001","9.88","0.005","90","","113.09","0.02","90","","1067.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)nickel(II) perchlorate","","- C12 H30 Cl2 N6 Ni O8 -","- C12 H30 Cl2 N6 Ni O8 -","- C24 H60 Cl4 N12 Ni2 O16 -","2","1","FG1588","Bernhardt, Paul V.","Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand cis-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine","Acta Crystallographica Section C","2000","56","7","744","746","10.1107/S0108270100003930","","","0.71073","MoKα","","0.046","0.0436","","","","0.1173","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011110","9.075","0.001","12.891","0.001","9.963","0.003","90","","112.438","0.009","90","","1077.3","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)zinc(II) perchlorate","","- C12 H30 Cl2 N6 O8 Zn -","- C12 H30 Cl2 N6 O8 Zn -","- C24 H60 Cl4 N12 O16 Zn2 -","2","1","FG1588","Bernhardt, Paul V.","Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand cis-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine","Acta Crystallographica Section C","2000","56","7","744","746","10.1107/S0108270100003930","","","0.71073","MoKα","","0.1849","0.0596","","","","0.1745","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011172","10.455","0.002","12.41","0.002","10.592","0.002","90","","115.077","0.01","90","","1244.7","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","phenylmethyl 5-(6,8-diaza-6-(2-diethoxyphosphono) acetyl)-7-oxo-3-thiabicyclo [3.3.0] oct-2-yl) pentanoate","","- C23 H33 N2 O7 P S -","- C23 H33 N2 O7 P S -","- C46 H66 N4 O14 P2 S2 -","2","1","QA0325","Amspacher, David R.; Blanchard, Carol Z.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.; Fronczek, Frank R.","Benzyl 5-{2-[2-(diethoxyphosphinoyl)acetyl]-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl}pentanoate, a novel biotin derivative","Acta Crystallographica Section C","2000","56","7","e305","e306","10.1107/S0108270100007915","","","0.71073","Mo-Kα","","0.057","0.04","","","","0.101","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011174","10.642","0.003","11.719","0.002","10.977","0.003","90","","108.04","0.02","90","","1301.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","QB0203","Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.","24(R)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate","Acta Crystallographica Section C","2000","56","7","e307","e308","10.1107/S0108270100007927","","","1.5418","CuKα","","0.072","0.056","","","","0.162","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011196","9.9534","0.001","10.53","0.003","13.837","0.002","90","0.02","110.942","0.01","90","0.02","1354.4","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(24R)-cycloartane-24,25-diol-3-one","","- C30 H50 O3 -","- C30 H50 O3 -","- C60 H100 O6 -","2","1","BM1401","Bhattacharyya, Kinkini; Kar, Tanusree; Palmer, Rex A.; Potter, Brian S.; Inada, Akira","(24R)-24,25-Dihydroxycycloartan-3-one","Acta Crystallographica Section C","2000","56","8","979","980","10.1107/S0108270100004820","","","1.5418","CuKα","","0.0409","0.0399","","","","0.1136","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011222","18.5099","0.0002","15.0831","0.0002","18.5766","0.0002","90","","90.5023","0.0006","90","","5186.14","0.1","110","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H126 N6 O24 Ru -","- C110 H126 N6 O24 Ru -","- C220 H252 N12 O48 Ru2 -","2","1","GS1094","Galardon, Erwan; Lukas, Michael; Le Maux, Paul; Toupet, Loïc; Roisnel, Thierry; Simonneaux, Gerard","Bis[(R)-1-phenylethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethyloxy]phenyl}porphyrin)ruthenium(II) at 110K","Acta Crystallographica Section C","2000","56","8","955","956","10.1107/S0108270100007952","","","0.71069","MoKα","","0.049","0.039","","","","0.103","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011225","7.9348","0.0008","15.8841","0.001","12.148","0.0008","90","","99.041","0.007","90","","1512.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3β-acetoxy-12,19-dioxoolean-9(11),13(18)-dien-28-oate","","- C33 H46 O6 -","- C33 H46 O6 -","- C66 H92 O12 -","2","1","JZ1393","Gzella, Andrzej","Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester","Acta Crystallographica Section C","2000","56","8","983","985","10.1107/S0108270100005801","","","1.54178","CuKα","","0.034","0.032","","","","0.092","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011252","8.496","0.004","18.53","0.006","7.226","0.002","90","","90.81","0.04","90","","1137.5","0.7","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 O2 -","- C11 H13 N5 O2 -","- C44 H52 N20 O8 -","4","2","QA0334","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","Two isomeric dideoxynucleosides","Acta Crystallographica Section C","2000","56","8","e343","e345","10.1107/S0108270100008921","","","0.71073","MoKα","","0.07","0.049","","","","0.133","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011254","9.438","0.002","8.529","0.002","16.503","0.003","90","","98.38","0.03","90","","1314.3","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6R)-6-(3'β-acetoxy-5'-androsten-17'β-yl)-2-phenyl- 5,6-dihydro-4H-[1,3]oxazine","","- C31 H41 N O3 -","- C31 H41 N O3 -","- C62 H82 N2 O6 -","2","1","QA0336","Hewitt, Manuel; Schneider, Thomas R.; Szemerédi, Zsuzsanna; Hajnal, Andrea; Wölfling, Janos; Schneider, Gyula","A steroidal phenyldihydro-1,3-oxazine derivative","Acta Crystallographica Section C","2000","56","8","e363","e364","10.1107/S0108270100009628","","","0.71073","MoKα","","0.042","0.035","","","","0.083","","","","","","1.076","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011269","10.368","0.003","16.3349","0.0014","10.211","0.003","90","","116.614","0.012","90","","1546.1","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","","- C16 H28 O3 -","- C16 H28 O3 -","- C64 H112 O12 -","4","2","QA0352","Yoshinobu Inouye","(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1R,2R,8R,11R)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","Acta Crystallographica Section C","2000","56","8","e361","e362","10.1107/S0108270100009616","","","0.71073","MoKα","","0.075","0.045","","0.127","","0.111","","","1.046","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011271","12.166","0.0004","5.5725","0.0002","14.5413","0.0004","90","","109.247","0.002","90","","930.73","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","p-Cresyl 2,3-anhydro-5-phthalimido-1-thio-α-D-lyxofuranoside","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C40 H34 N2 O8 S2 -","2","1","QA0356","Gallucci, Judith C.; Gadikota, Rajendrakumar Reddy; Lowary, Todd L.","p-Cresyl 2,3-anhydro-5-deoxy-5-phthalimido-1-thio-α-D-lyxofuranoside","Acta Crystallographica Section C","2000","56","8","e365","e365","10.1107/S0108270100009641","","","0.71073","MoKα","","0.058","0.047","","0.106","","0.102","","","1.048","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011280","8.571","0.0007","6.4665","0.0003","9.8502","0.0008","90","","106.783","0.003","90","","522.69","0.07","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","SK1383","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(‒)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol. Corrigendum","Acta Crystallographica Section C","2000","56","8","1056","1056","10.1107/S0108270100005011","","","0.71069","MoKα","","0.063","0.036","","","","0.081","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011283","8.234","0.003","12.267","0.002","14.3806","0.0019","90","","98.015","0.015","90","","1438.3","0.6","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide dichloromethane (1/1) solvate","","- C33 H32 Br Cl2 N O -","- C33 H32 Br Cl2 N O -","- C66 H64 Br2 Cl4 N2 O2 -","2","1","SK1391","Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.","(M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide solvates","Acta Crystallographica Section C","2000","56","8","1004","1006","10.1107/S0108270100006739","","","0.71069","MoKα","","0.07","0.039","","","","0.096","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011289","10.418","0.002","8.88","0.006","13.56","0.002","90","","91.36","0.01","90","","1254.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl a\-D-glucopyranoside","","- C27 H29 N O6 S -","- C27 H29 N O6 S -","- C54 H58 N2 O12 S2 -","2","1","VJ1104","Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya","Comparison of the two anomers of methyl 2-(N-benzylamino)-2,3-dideoxy-4,6-O-phenylmethylene-3-C-phenylsulfonyl-D-glucopyranoside","Acta Crystallographica Section C","2000","56","8","1030","1032","10.1107/S0108270100007344","","","1.5418","CuKa","","0.0347","0.0333","","0.0927","","0.0904","","","1.056","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011291","6.0315","0.0007","7.249","0.0008","12.8693","0.0019","90","","91.921","0.009","90","","562.36","0.12","135","2","135","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil dihydrate","","- C9 H14 N2 O7 -","- C9 H14 N2 O7 -","- C18 H28 N4 O14 -","2","1","AV1044","Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.","Solid-state transformation of 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil monohydrate","Acta Crystallographica Section C","2000","56","9","1129","1131","10.1107/S0108270100007794","","","0.71073","MoKα","","0.026","0.025","","","","0.076","","","","","","1.377","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011292","6.024","0.002","7.218","0.003","12.357","0.004","90","","101.4","0.04","90","","526.7","0.3","137","2","137","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil monohydrate","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","1","AV1044","Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.","Solid-state transformation of 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil monohydrate","Acta Crystallographica Section C","2000","56","9","1129","1131","10.1107/S0108270100007794","","","0.71073","MoKα","","0.082","0.054","","","","0.11","","","","","","1.376","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011318","7.852","0.003","15.962","0.005","11.951","0.004","90","","105.48","0.03","90","","1443.5","0.9","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-Carbamoylethyl)bis(dimethylglyoximato) [(R)-1-(1-naphthyl)ethylamine]cobalt(III)","","- C25 H39 Co N6 O6 -","- C25 H39 Co N6 O6 -","- C50 H78 Co2 N12 O12 -","2","1","GD1103","Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","(2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][methyl (S)-phenylalaninate-N]cobalt(III)","Acta Crystallographica Section C","2000","56","9","1062","1064","10.1107/S010827010000826X","","","0.71073","MoKα","","0.0619","0.0539","","","","0.1238","","","","","","1.12","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011319","11.097","0.004","10.914","0.003","11.178","0.004","90","","91.5","0.03","90","","1353.3","0.8","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato) [2-(methylcarbamoyl)ethyl][methyl (S)-phenylalaninate]cobalt(III)","","- C22 H35 Co N6 O7 -","- C22 H35 Co N6 O7 -","- C44 H70 Co2 N12 O14 -","2","1","GD1103","Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","(2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][methyl (S)-phenylalaninate-N]cobalt(III)","Acta Crystallographica Section C","2000","56","9","1062","1064","10.1107/S010827010000826X","","","0.71073","MoKα","","0.0542","0.0461","","","","0.1359","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011337","9.684","0.0008","5.2868","0.0008","12.8212","0.0007","90","","106.47","0.006","90","","629.48","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Chloro-1-(4-morpholinyl-5-nitroimidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","JZ1415","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 44. Über Morpholinonitroimidazolderivate","Acta Crystallographica Section C","2000","56","9","1161","1163","10.1107/S0108270100008635","","","1.54178","CuKα","","0.026","0.025","","","","0.072","","","","","","1.038","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011444","9.586","0.003","8.279","0.002","11.096","0.005","90","","99.74","0.02","90","","867.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C32 H46 N2 O16 -","2","1","QA0365","Gainsford, Graeme J.; Furneaux, Richard H.; Mason, Jenny M.; Tyler, Peter C.","1,2,7,8-Tetra-O-acetylaustraline","Acta Crystallographica Section C","2000","56","10","e477","e478","10.1107/S0108270100012099","","","0.71069","MoKα","","0.081","0.053","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011463","5.8404","0.0006","8.2429","0.0008","14.8299","0.001","90","","96.178","0.008","90","","709.79","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glycine-tryptophan dihydrate","","","- C13 H19 N3 O5 -","- C13 H19 N3 O5 -","- C26 H38 N6 O10 -","2","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.035","0.034","","","","0.08","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011517","11.409","0.002","4.595","0.002","15.667","0.001","90","","105.079","0.009","90","","793.1","0.4","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 -","- C14 H14 Cl2 N2 O4 -","- C28 H28 Cl4 N4 O8 -","2","1","GG1022","Eishima, Makoto; Ohba, Shigeru; Suzuki, Masumi; Nagasawa, Chiaki; Sugai, Takeshi","Racemic and chiral 1-[N-(chloroacetyl)carbamoylamino]-2,3-dihydro-1H-inden-2-yl chloroacetate","Acta Crystallographica Section C","2000","56","11","1391","1393","10.1107/S010827010001129X","","","0.71073","MoKα","","","0.057","","","","0.126","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011536","10.987","0.0016","6.033","0.0008","15.429","0.003","90","","103.989","0.006","90","","992.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ternifoline C","ent-Kaur-16-ene-1,6,7,15-tetrol-7,20-epoxy-1-acetate","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","QA0393","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Redetermination of ternifoline-C at 150K","Acta Crystallographica Section C","2000","56","11","e516","e517","10.1107/S0108270100013032","","","0.71073","MoKα","","0.111","0.059","","","","0.143","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011544","10.1696","0.0009","6.9695","0.0007","21.526","0.002","90","","92.036","0.005","90","","1524.7","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-β-D- glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate","","- C25 H29 N3 O13 S -","- C25 H29 N3 O13 S -","- C50 H58 N6 O26 S2 -","2","1","QA0402","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Sánchez, Adolfo; Nogueras, Manuel; López, M. D.","Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate","Acta Crystallographica Section C","2000","56","11","e526","e527","10.1107/S0108270100013512","","","0.71073","MoKα","","0.124","0.068","","","","0.16","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011546","7.8564","0.0007","17.4629","0.0016","9.7865","0.0016","90","","92.132","0.009","90","","1341.7","0.3","294","1","294","1","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-μ-Chloro-μ-p-toluenethiolato-bis[chloro(triethylphosphine)palladium]","","- C19 H37 Cl3 P2 Pd2 S -","- C19 H37 Cl3 P2 Pd2 S -","- C38 H74 Cl6 P4 Pd4 S2 -","2","1","QA0405","Alyea, Elmer C.; Kannan, Shanmugaperumal; Ferguson, George","cis-μ-Chloro-μ-p-toluenethiolato-bis[chloro(triethylphosphine)palladium]","Acta Crystallographica Section C","2000","56","11","e493","e494","10.1107/S0108270100013408","","","0.71073","MoKα","","0.062","0.038","","","","0.068","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011561","10.642","0.003","11.719","0.002","10.977","0.003","90","","108.04","0.02","90","","1301.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","QB9203","Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.","24(R)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate. Erratum","Acta Crystallographica Section C","2000","56","11","e538","e538","10.1107/S0108270100012993","","","1.5418","CuKα","","0.072","0.056","","","","0.162","","","","","","1.123","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011572","7.499","0.001","7.924","0.002","11.873","0.002","90","","101.65","0.01","90","","691","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H4 Cl6 O4 -","- C9 H4 Cl6 O4 -","- C18 H8 Cl12 O8 -","2","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.02","0.019","","","","0.048","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011577","10.9465","0.0011","18.972","0.002","11.0469","0.0012","90","","110.643","0.002","90","","2146.9","0.4","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)terbium(III)","","- C40 H67 N2 O6 Tb -","- C40 H67 N2 O6 Tb -","- C80 H134 N4 O12 Tb2 -","2","1","SK1415","Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant; e-mail: bgourhill@dera.gov.uk","Two isostructural triboluminescent lanthanide complexes","Acta Crystallographica Section C","2000","56","11","1323","1325","10.1107/S0108270100011641","","","0.71073","MoKα","","0.031","0.029","","","","0.054","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011578","10.9846","0.0005","18.9758","0.0008","11.0865","0.0005","90","","110.833","0.002","90","","2159.8","0.17","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)samarium(III)","","- C40 H67 N2 O6 Sm -","- C40 H67 N2 O6 Sm -","- C80 H134 N4 O12 Sm2 -","2","1","SK1415","Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant","Two isostructural triboluminescent lanthanide complexes","Acta Crystallographica Section C","2000","56","11","1323","1325","10.1107/S0108270100011641","","","0.71073","MoKα","","0.037","0.026","","","","0.047","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011613","9.665","0.0005","19.662","0.0009","11.123","0.002","90","","89.602","0.005","90","","2113.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Piv-L-Sip-L-Ala-NH^i^Pr","N-(3,3-dimethyl-1-pivaloyl-1-aza-3-sila-5-cyclopentylcarbonyl)-L-alanine isopropylamide","","- C17 H33 N3 O3 Si -","- C17 H33 N3 O3 Si -","- C68 H132 N12 O12 Si4 -","4","2","GS1107","Vivet, Bertrand; Cavelier, Florine; Martinez, Jean; Didierjean, Claude; Marraud, Michel; Aubry, Andre","A silaproline-containing dipeptide","Acta Crystallographica Section C","2000","56","12","1452","1454","10.1107/S0108270100012294","","","0.7107","MoKα","","0.069","0.055","","","","0.143","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011630","4.5377","0.0002","6.9065","0.0002","12.3009","0.0005","90","","90.372","0.002","90","","385.5","0.03","200","0.1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C16 H20 O6 -","2","1","QA0418","Harper, James K.; Arif, Atta M.; Li, J. Y.; Strobel, Gary; Grant, David M.","Terrein","Acta Crystallographica Section C","2000","56","12","e570","e571","10.1107/S0108270100014803","","","0.71073","MoKα","","","0.035","","","","0.09","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011642","10.112","0.001","7.7821","0.0006","12.0922","0.0009","90","","91.73","0.01","90","","951.13","0.14","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","5α-9(11)-androsten-3β-ol-17-one acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","QA0437","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate","Acta Crystallographica Section C","2000","56","12","e582","e583","10.1107/S0108270100015043","","","1.5418","CuKα","","0.078","0.0479","","0.147","","0.147","","","1.055","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011649","11.197","0.002","8.932","0.002","6.976","0.002","90","","90.21","0.02","90","","697.7","0.3","298","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-epi-inosose","(-)-2L-(2,3,4,6/5)-2,3,4,5,6-pentahydroxycyclohexanone","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","2","QA0445","Hosomi, Hiroyuki; Ohba, Shigeru; Ogawa, Seiichiro; Takahashi, Atsushi","(‒)-epi-Inosose-2","Acta Crystallographica Section C","2000","56","12","e584","e585","10.1107/S0108270100015092","","","0.71073","MoKα","","","0.024","","","","0.068","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011680","6.181","0.001","9.2","0.001","10.691","0.001","90","","102.94","0.01","90","","592.51","0.13","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium glucoheptonate dihydrate","Sodium D-glycero-D-gulo-heptonate dihydrate","","- C7 H17 Na O10 -","- C7 H17 Na O10 -","- C14 H34 Na2 O20 -","2","1","BK1543","Park, Young Ja; Lee, Bo Hyung","Sodium α-glucoheptonate dihydrate","Acta Crystallographica Section C","2001","57","1","12","13","10.1107/S010827010001355X","","","0.7107","MoKα","","0.033","0.032","","","","0.09","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011693","9.3677","0.001","21.991","0.004","9.4564","0.0011","90","","115.827","0.009","90","","1753.5","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H48 O12 S2 -","- C33 H48 O12 S2 -","- C66 H96 O24 S4 -","2","1","DA1143","Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M.","10-Deacetyl baccatin III dimethyl sulfoxide disolvate","Acta Crystallographica Section C","2001","57","1","64","65","10.1107/S0108270100011781","","","0.71073","MoKα","","","0.0556","","","0.136","","","","","1.084","1.084","","","","","has coordinates,has disorder,has Fobs","199684","2020-10-21","18:00:00",""
"2011694","10.371","0.002","7.102","0.0014","20.446","0.004","90","","94.07","0.03","90","","1502.1","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Catena-poly[[diaqua(phenanthroline-N,N') manganese(II)-μu-(thiosulfato-O:S)]","","- C12 H12 Mn N2 O5 S2 -","- C12 H8 Mn N2 O5 S2 -","- C48 H32 Mn4 N8 O20 S8 -","4","2","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.067","0.062","","","","0.193","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011696","12.047","0.002","7.808","0.002","9.718","0.001","90","","108.71","0.01","90","","865.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-phenylmaleimide adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-phenyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benz[e]isoindole-6-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.051","0.049","","","","0.125","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011710","13.462","0.004","5.079","0.004","14.127","0.004","90","0.04","111.53","0.04","90","0.04","898.5","0.8","293","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylindole-3-carboxyaldehyde oxime","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","2","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.144","0.049","","","","0.129","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011712","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG1019","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Joshi, Balwant Shankar","Pseudokobusine","Acta Crystallographica Section C","2001","57","1","68","69","10.1107/S0108270100012828","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011719","11.0323","0.0007","11.7742","0.0004","14.1121","0.0009","90","","99.38","0.002","90","","1808.6","0.17","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","2","GS1100","Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa","Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate","Acta Crystallographica Section C","2001","57","1","62","63","10.1107/S0108270100010830","","","0.71073","MoKα","","0.069","0.052","","","","0.048","","","1.215","","","1.241","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011720","6.6653","0.0006","5.0767","0.0004","22.615","0.002","90","","95.262","0.002","90","","762.02","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","GS1106","Abdelhalim, Guelzim; Belloli, Emmanuelle; Yous, Said; Vaccher, Claude","Absolute configuration of N-[(‒)-2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]cyclopropylcarboxamide, a highly potent and selective melatonin analogue","Acta Crystallographica Section C","2001","57","1","100","101","10.1107/S0108270100014724","","","0.71073","MoKα","","0.0392","0.036","","","","0.1069","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011724","9.1333","0.0007","7.431","0.0004","14.7171","0.0012","90","","101.052","0.009","90","","980.32","0.13","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Bipyridine dihydrate","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","2","LN1112","Näther, Christian; Riedel, Jens; Jeß, Inke","4,4'-Bipyridine dihydrate at 130K","Acta Crystallographica Section C","2001","57","1","111","112","10.1107/S0108270100014888","","","0.71073","MoKα","","0.073","0.041","","","","0.126","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011747","10.643","0.003","15.624","0.003","11.349","0.003","90","","110.5","0.012","90","","1767.7","0.8","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-aminopyridinium di(benzenesulfonyl)amidate","","- C17 H17 N3 O4 S2 -","- C17 H17 N3 O4 S2 -","- C68 H68 N12 O16 S8 -","4","2","BM1426","Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXXII. A robust~eight-membered ring motif in the hydrogen-bonded structure of 2-aminopyridinium di(benzenesulfonyl)amidate","Acta Crystallographica Section C","2001","57","2","167","169","10.1107/S010827010001427X","","","0.71073","MoKα","","0.045","0.04","","","","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011751","6.6185","0.0005","12.3948","0.0008","14.5069","0.001","90","","90.822","0.001","90","","1189.95","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","sipeimine","3β,20β-dihydroxy-6-one-5α-cevanine","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C54 H86 N2 O6 -","2","1","DE1149","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W.","Sipeimine, a steroidal alkaloid from Fritillaria roylei Hooker","Acta Crystallographica Section C","2001","57","2","170","171","10.1107/S0108270100014499","","","0.71073","MoKα","","0.0613","0.0413","","","","0.1105","","","","","","0.992","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011762","5.3288","0.0003","6.3696","0.0006","18.1263","0.0009","90","","95.811","0.004","90","","612.09","0.07","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-leucine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C18 H36 N4 O8 -","2","1","GG1024","Słowikowska, Joanna; Lipkowski, Janusz","L-Seryl-L-leucine","Acta Crystallographica Section C","2001","57","2","187","189","10.1107/S0108270100016164","","","1.54178","CuKα","","","0.029","","","","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011771","8.447","0.0006","12.91","0.0012","12.985","0.0013","90","","105.27","0.006","90","","1366","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","","- C30 H28 Cl2 Fe N6 -","- C30 H28 Cl2 Fe N6 -","- C60 H56 Cl4 Fe2 N12 -","2","1","NA1490","Batten, Stuart R.; McKenzie, Christine J.; Preuss Nielsen, Lars","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Acta Crystallographica Section C","2001","57","2","156","157","10.1107/S010827010001684X","","","0.71073","MoKα","","0.1323","0.0796","","","","0.1558","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011774","7.3772","0.0014","20.063","0.003","10.4576","0.0012","90","","90.513","0.012","90","","1547.8","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl (1R,8R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undecan-3,5- dien-4,5-dicarboxylate","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C64 H88 N8 O16 -","4","2","SK1429","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl (1R,8R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undeca-3,5-diene-4,5-dicarboxylate, a chiral molecule with an approximate centrosymmetric crystal structure","Acta Crystallographica Section C","2001","57","2","208","210","10.1107/S0108270100017960","","","0.71073","MoKα","","0.0393","0.0359","","","","0.0959","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011782","10.2144","0.0007","18.018","0.001","13.1304","0.0009","90","","90.177","0.001","90","","2416.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H86 N O5 P Sn3 -","- C39 H86 N O5 P Sn3 -","- C78 H172 N2 O10 P2 Sn6 -","2","1","AV1061","Khoo, Lian Ee; Hazell, Alan","Polymeric [μ~3~-(N-phosphonomethyl)glycinato]tris(tri-n-butyltin)","Acta Crystallographica Section C","2001","57","3","254","256","10.1107/S0108270100018898","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011802","13.0265","0.0007","7.0672","0.0003","6.3376","0.0002","90","","96.432","0.004","90","","579.77","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-2,3-O-(S)-benzylidene-β-D-mannopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-D-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.029","0.029","","0.032","","0.032","","","1.001","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011804","9.0956","0.0003","5.8461","0.0002","11.0603","0.0005","90","","102.871","0.004","90","","573.34","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-3,4-O-(S)-benzylidene-β-D-galactopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-D-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.034","0.034","","0.043","","0.043","","","1.046","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011822","8.026","0.002","12.359","0.003","14.056","0.003","90","","96.63","0.02","90","","1384.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O9 -","- C29 H29 N O9 -","- C58 H58 N2 O18 -","2","1","SK1434","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian","Methyl 2,3,6-tri-O-benzoyl-4-deoxy-4-methoxyamino-α-D-glucopyranoside","Acta Crystallographica Section C","2001","57","3","309","310","10.1107/S0108270100019387","","","0.7107","MoKα","","0.068","0.068","","0.04","","0.04","","","1.896","","","1.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011846","9.319","0.0005","7.7083","0.0007","16.816","0.0014","90","","102.422","0.004","90","","1179.68","0.16","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","pteropodine","(1'S,3R,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8',10',10'a-octahydro-1'- methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4- f]indolizine]-4'-carboxylic acid methyl ester, chloroform solvate","","- C22 H25 Cl3 N2 O4 -","- C22 H25 Cl3 N2 O4 -","- C44 H50 Cl6 N4 O8 -","2","1","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from Uncaria tomentosa: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.095","0.059","","","","0.16","","","","","","0.98","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011847","10.9943","0.0008","21.062","0.003","12.3039","0.0015","90","","96.86","0.006","90","","2828.7","0.6","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","isopteropodine","(1'S,3S,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8', 10',10'a-octahydro -1'-methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f] indolizine]-4'-carboxylic acid methyl ester","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C126 H144 N12 O24 -","6","3","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from Uncaria tomentosa: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.123","0.052","","","","0.108","","","","","","0.894","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011860","8.764","0.002","6.103","0.001","10.791","0.002","90","","112.97","0.03","90","","531.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C24 H22 N6 O2 -","2","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two trans-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.064","0.031","","","","0.096","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011862","4.51","0.0004","14.462","0.001","13.231","0.001","90","","98.823","0.007","90","","852.76","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-O-Methylene-D-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","0.083","0.056","","","","0.151","","","","","","1.1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011863","7.218","0.003","14.042","0.007","9.16","0.002","90","","110.64","0.02","90","","868.8","0.6","100","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-O-Methylene-D-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.045","","","","0.113","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011881","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG9019","Mehmet Akkurt","Pseudokobusine. Erratum","Acta Crystallographica Section C","2001","57","4","500","500","10.1107/S0108270101003948","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011919","5.007","0.001","17.676","0.003","6.523","0.001","90","","100.4","0.02","90","","567.83","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium tartrate","L-prolinium tartrate","","- C9 H15 N O8 -","- C9 H15 N O8 -","- C18 H30 N2 O16 -","2","1","VJ1124","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","L-Prolinium tartrate","Acta Crystallographica Section C","2001","57","4","423","424","10.1107/S0108270100020370","","","1.5418","CuKα","","0.0276","0.0275","","","","0.0736","","","","","","1.035","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011928","10.613","0.004","11.193","0.004","16.399","0.005","90","","102.48","0.03","90","","1902","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S)-N-[5-(5-chloro-2-thienyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C16 H15 Cl N4 O3 S3 -","- C16 H15 Cl N4 O3 S3 -","- C64 H60 Cl4 N16 O12 S12 -","4","2","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6H-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.107","0.061","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011929","7.7492","0.0002","10.447","0.0003","14.3852","0.0003","90","","100.81","0.001","90","","1143.9","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-ethyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C17 H25 N O10 S -","- C17 H25 N O10 S -","- C34 H50 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","O-Ethyl and O-methyl N-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.096","0.062","","","","0.168","","","","","","0.88","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011930","7.3543","0.0002","10.2555","0.0001","14.0142","0.0004","90","","100.684","0.002","90","","1038.66","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-methyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C16 H23 N O10 S -","- C16 H23 N O10 S -","- C32 H46 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","O-Ethyl and O-methyl N-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.126","0.072","","","","0.184","","","","","","0.86","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011960","10.556","0.004","9.191","0.001","12.536","0.006","90","","114.28","0.05","90","","1108.7","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O11 -","- C18 H24 N2 O11 -","- C36 H48 N4 O22 -","2","1","DA1176","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian; Averbuch-Pouchot, Marie-Thérèse","N-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyloxy)succinimide","Acta Crystallographica Section C","2001","57","5","649","650","10.1107/S0108270101003377","","","0.71073","MoKα","","0.069","0.069","","0.055","","0.055","","","1.939","","","1.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011978","13.1476","0.0015","22.6558","0.0016","16.9355","0.0019","90","","90.221","0.014","90","","5044.5","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexa-μ~2~-isopropoxy-1:2κ^4^O;1:3κ^4^O;1:4κ^4^O-hexaisopropoxy- 2κ^2^O,3κ^2^O,4κ^2^O-trialuminium(III)neodymium(III)","","- C36 H84 Al3 Nd O12 -","- C36 H84 Al3 Nd O12 -","- C144 H336 Al12 Nd4 O48 -","4","2","JZ1432","Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar","Nd[Al(^i^PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals","Acta Crystallographica Section C","2001","57","5","515","516","10.1107/S0108270101000750","","","0.71073","MoKα","","0.039","0.031","","","","0.069","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012000","7.595","0.0007","9.9731","0.0009","13.7266","0.0009","90","","98.967","0.006","90","","1027.02","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","SX1123","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Morais, G. J. R.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section C","2001","57","5","587","589","10.1107/S0108270101002311","","","0.71073","MoKα","","0.059","0.037","","","","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012017","9.2884","0.0008","6.7527","0.0006","10.6582","0.0009","90","","96.5141","0.0014","90","","664.19","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Difluoro-(E)-5-(2-iodovinyl)-1-(2'-deoxy-β-D-ribofuranosyl)benzene","","- C13 H13 F2 I O3 -","- C13 H13 F2 I O3 -","- C26 H26 F4 I2 O6 -","2","1","DA1180","Mark, Brian L.; Parrish, Jonathan C.; Wang, Zhi-Xian; Wiebe, Leonard I.; Knaus, Edward E.; James, Michael N. G.","(E)-1-(2'-Deoxy-β-D-ribofuranosyl)-2,4-difluoro-5-(2-iodovinyl)benzene","Acta Crystallographica Section C","2001","57","6","758","760","10.1107/S0108270101005029","","","0.71073","MoKα","","0.0394","0.0372","","","","0.0953","","","","","","1.021","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012026","11.414","0.003","10.769","0.003","17.863","0.005","90","","93.303","0.006","90","","2192","1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato) tantalum] dichloromethane hemisolvate","","- C20.5 H59 B18 Cl N8 O Ta2 -","- C20.5 H59 B18 Cl N8 O Ta2 -","- C41 H118 B36 Cl2 N16 O2 Ta4 -","2","1","GD1146","Goeta, Andrès E.; Hughes, Andrew K.; Malget, John M.","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato)tantalum] dichloromethane hemisolvate","Acta Crystallographica Section C","2001","57","6","702","703","10.1107/S010827010100436X","","","0.71073","MoKα","","0.048","0.035","","","","0.095","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012042","8.238","0.008","7.498","0.006","15.016","0.008","90","","92.81","0.05","90","","926.4","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Potassium 4-(4-bis(hydroxyethyl)amino-phenylazo)benzoate dihydrate","","- C17 H22 K N3 O6 -","- C17 H22 K N3 O6 -","- C34 H44 K2 N6 O12 -","2","1","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.0626","0.0391","","","","0.1035","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012049","10.2842","0.0003","14.9172","0.0004","13.0621","0.0004","90","","102.522","0.0011","90","","1956.21","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane )nickel(II)] diperchlorate","","- C28 H56 Cl2 N8 Ni2 O14 -","- C28 H56 Cl2 N8 Ni2 O14 -","- C56 H112 Cl4 N16 Ni4 O28 -","2","1","SK1465","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)] diperchlorate forms a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2001","57","6","683","686","10.1107/S0108270101003857","","","0.71073","MoKα","","0.075","0.041","","","","0.097","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012068","8.6689","0.0008","17.6441","0.0016","9.6101","0.0008","90","","93.283","0.003","90","","1467.5","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-pyridone 6/5 hydrate","","- C5 H7.4 N O2.2 -","- C5 H7.4 N O2.2 -","- C50 H74 N10 O22 -","10","5","BM1453","Jones, Peter G.","A simple compound with an unexpectedly complex structure: 4-pyridone 6/5-hydrate","Acta Crystallographica Section C","2001","57","7","880","882","10.1107/S0108270101008228","","","0.71073","MoKα","","0.0514","0.0344","","","","0.0899","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012082","8.841","0.003","6.283","0.003","14.646","0.004","90","","103.45","0.02","90","","791.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","gibberic acid monohydrate","1,7-dimethyl-8-oxo-4bα,7α-gibba-1,3,4a(10a)-triene-10β-carboxylic acid monohydrate","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","FR1327","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic δ-keto acid derivative of gibberellin A~3~","Acta Crystallographica Section C","2001","57","7","841","843","10.1107/S0108270101006059","","","0.71073","MoKα","","0.068","0.041","","","","0.084","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012097","7.8578","0.0005","5.4516","0.0006","12.8276","0.0007","90","","94.73","0.04","90","","547.63","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-alanine alaninium nitrate","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C12 H30 N6 O14 -","2","1","LN1115","Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Alte da Veiga, Luiz","Strong hydrogen-bonded amino acid dimers in L-alanine alaninium nitrate","Acta Crystallographica Section C","2001","57","7","838","840","10.1107/S0108270101006072","","","0.71073","MoKα","","0.038","0.029","","","","0.083","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012114","10.0979","0.0001","20.5473","0.0002","10.7452","0.0001","90","","106.685","0.001","90","","2135.6","0.04","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-bromo-5-(2'α-carboxymethyl-5'α-isopropyl-2'β-methyl)-3-imono- 7-methyl-2,3-dihydrobenzopyran-4-one","","- C21 H28 Br N O4 -","- C21 H28 Br N O4 -","- C84 H112 Br4 N4 O16 -","4","2","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0434","0.0295","","","","0.0649","","","","","","0.852","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012192","8.886","0.002","5.3714","0.0009","16.599","0.003","90","","92.7","0.02","90","","791.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-4-thia-1-decalinol p-bromobenzoate","trans-4-thia-1-decalinyl p-bromobenzoate","","- C16 H19 Br O2 S -","- C16 H19 Br O2 S -","- C32 H38 Br2 O4 S2 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.051","0.048","","","","0.133","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012199","7.679","0.001","14.644","0.002","12.461","0.001","90","","96.43","0.01","90","","1392.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.046","0.033","","","","0.077","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012200","8.72","0.001","18.17","0.003","9.589","0.002","90","","100.13","0.02","90","","1495.6","0.4","248","2","248","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid monohydrate","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid monohydrate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.088","0.052","","","","0.103","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012219","12.522","0.002","10.7827","0.0012","4.8838","0.0006","90","","93.23","0.004","90","","658.37","0.15","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzimidazolium 3-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C28 H22 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.073","0.048","","","","0.113","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012229","6.2303","0.0001","20.561","0.0003","10.7476","0.0002","90","","96.665","0.001","90","","1367.48","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Methano-11a-methyl-2,3,4,4a,11,11a-hexahydro-1H-benzo[b]fluoren-11-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","2","SK1493","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam","1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1H-benzo[b]fluoren-11-one","Acta Crystallographica Section C","2001","57","9","1118","1119","10.1107/S0108270101010976","","","0.71073","MoKα","","0.0659","0.0516","","","","0.131","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012232","6.5376","0.0003","11.8766","0.001","13.5312","0.0015","90","","91.197","0.012","90","","1050.39","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-Oxo-16-(2-pyridylmethylene)-androst-5-en-3β-ol monohydrate","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C50 H66 N2 O6 -","2","1","VJ1136","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jindal, D. P.; Dubey, S.","17-Oxo-16-(2-pyridylmethylene)androst-5-en-3β-ol monohydrate","Acta Crystallographica Section C","2001","57","9","1062","1063","10.1107/S010827010100912X","","","1.5418","CuKα","","0.0422","0.0389","","","","0.1165","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012248","6.1677","0.0001","15.7416","0.0003","10.5141","0.0002","90","","90.763","0.001","90","","1020.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamoyl shikonin","1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthyl)-4-methylpent-3-en-1-yl cinnamate","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","DE1171","Sarkhel, Sanjay; Shefali; Mathad, Vijayvitthal T.; Raj, Kanwal; Bhaduri, Amiya P.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.","Cinnamoyl shikonin","Acta Crystallographica Section C","2001","57","10","1199","1200","10.1107/S0108270101011842","","","0.71073","MoKα","","0.05","0.041","","","","0.096","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012260","7.271","0.003","9.733","0.005","35.98","0.02","90","","93.28","0.04","90","","2542","2","150","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4-dimethyl-23-phenyl-24-nor-5α-cholane-8,14-dien-3β-ol","","- C31 H44 O -","- C31 H44 O -","- C124 H176 O4 -","4","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0496","0.0443","","","","0.1156","","","","","","1.097","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012309","7.695","0.0015","14.828","0.003","8.006","0.0016","90","","112.11","0.03","90","","846.3","0.3","206","2","206","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2-Fluorophenylimino)tripyrrolylphosphorane","","","- C18 H16 F N4 P -","- C18 H16 F N4 P -","- C36 H32 F2 N8 P2 -","2","1","FR1341","Bell, Stephen A.; Meyer, Tara Y.; Geib, Steven J.","(2-Fluorophenylimino)tri(1-pyrrolyl)phosphorane","Acta Crystallographica Section C","2001","57","11","1341","1342","10.1107/S0108270101013877","","","0.71073","MoKα","","0.0517","0.0378","","","","0.0889","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012315","8.328","0.0003","8.393","0.0003","10.212","0.0004","90","","106.696","0.002","90","","683.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3β,3aβ,7β,8aα)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl- 1,2,3,3a,4,5,6,7,8,8a-decahydro-3a,7-methanoazulen-2-one","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71073","MoKα","","0.033","0.031","","","","0.08","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012335","15.983","0.001","6.5095","0.0004","29.068","0.001","90","","102.28","0.0005","90","","2955.1","0.3","123","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Cu N4 O6 -","- C13 H9 Cu N4 O6 -","- C104 H72 Cu8 N32 O48 -","8","4","OA1117","Kato, Takayuki; Sugimoto, Kunihisa; Yamasaki, Mikio","Aqua[N-(6-carboxylato-κO-pyridine-2-carbonyl-κN)-L-histidinato-κ^2^N,N']copper(II)","Acta Crystallographica Section C","2001","57","11","1256","1258","10.1107/S0108270101012331","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.34","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012352","10.7631","0.0004","13.1751","0.0004","12.5623","0.0005","90","","96.887","0.002","90","","1768.54","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","HIV protease inhibitor KNI-272: iQoa-Mta-Apns-Thz-tBu","3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo- 4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolane-4-carboxamide","","- C33 H42.61 N5 O6.81 S2 -","- C33 H42.606 N5 O6.803 S2 -","- C66 H85.212 N10 O13.606 S4 -","2","1","SX1119","Doi, Mitsunobu; Ishida, Toshimasa; Katsuya, Yoshio; Sasaki, Masahiro; Taniguchi, Taizo; Hasegawa, Hiroshi; Mimoto, Tsutomu; Kiso, Yoshiaki","KNI-272, a highly selective and potent peptidic HIV protease inhibitor","Acta Crystallographica Section C","2001","57","11","1333","1335","10.1107/S0108270101013701","","","0.836","synchrotron","","0.073","0.067","","","","0.191","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012380","9.3164","0.0015","13.038","0.002","9.313","0.0015","90","","106.224","0.012","90","","1086.2","0.3","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl 2-deoxy-4,5,6,8-tetra-O-acetyl-α-D-gluco-3,7-pyranoso-3-octulosonate","","- C18 H26 O12 -","- C18 H26 O12 -","- C36 H52 O24 -","2","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-D-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71073","MoKα","","0.053","0.038","","","0.099","0.106","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012403","12.802","0.007","7.0425","0.001","14.97","0.01","90","","107.44","0.03","90","","1287.6","1.1","291","","291","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H36 N2 O11 -","- C23 H36 N2 O11 -","- C46 H72 N4 O22 -","2","1","TR1000","Puliti, Raffaella; Mattia, Carlo A.; De Fazio, Alessia; Ghiara, Maria R.; Mazzarella, Lelio","Cinchoninium L-tartrate tetrahydrate","Acta Crystallographica Section C","2001","57","12","1447","1449","10.1107/S0108270101016365","","","1.5418","CuKα","","0.049","0.046","","","","0.054","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012429","10.027","0.002","10.243","0.002","16.852","0.003","90","","100.39","0.03","90","","1702.4","0.6","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Cl3 O8 -","- C37 H37 Cl3 O8 -","- C74 H74 Cl6 O16 -","2","1","FR1354","Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.","2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate","Acta Crystallographica Section C","2002","58","1","o29","o31","10.1107/S0108270101019163","","","0.71073","MoKα","","","0.041","","","","0.0995","","","","","","0.95","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012468","8.154","0.001","8.602","0.003","15.005","0.004","90","","102.47","0.02","90","","1027.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile","","- C25 H27 N O2 -","- C24.982 H27 N O2 -","- C49.964 H54 N2 O4 -","2","1","AV1086","Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane","D-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","2002","58","2","o63","o65","10.1107/S0108270101018182","","","1.54178","CuKα","","0.107","0.061","","","0.133","0.15","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012469","9.8063","0.0005","6.697","0.001","16.201","0.001","90","","101.455","0.005","90","","1042.77","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C50 H58 N2 O4 -","2","1","AV1086","Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane","D-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","2002","58","2","o63","o65","10.1107/S0108270101018182","","","1.54178","CuKα","","0.044","0.039","","","0.093","0.1","","","","","","0.957","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012474","10.896","0.003","10.345","0.004","11.709","0.005","90","","100.213","0.018","90","","1298.9","0.8","154","2","154","2","","","","","","","","5","P 1 21 1","P 2yb","4","","triferrocenylboroxine","","- C30 H27 B3 Fe3 O3 -","- C30 H27 B3 Fe3 O3 -","- C60 H54 B6 Fe6 O6 -","2","1","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.0978","0.0799","","","0.1978","0.2103","","","","","","1.249","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012503","4.3142","0.0007","22.141","0.004","6.4675","0.001","90","","105.441","0.011","90","","595.48","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B8 Bi2 O15 -","- B8 Bi2 O15 -","- B16 Bi4 O30 -","2","1","IZ1016","Teng, Bing; Yu, Wen Tao; Wang, Ji Yang; Cheng, Xiu Feng; Dong, Sheng Ming; Liu, Yao Gang","Bismuth octaborate, Bi~2~B~8~O~15~","Acta Crystallographica Section C","2002","58","2","i25","i26","10.1107/S0108270101019643","","","0.71073","MoKα","","0.0711","0.0697","","","0.1685","0.1706","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012512","8.812","0.004","13.897","0.003","14.728","0.006","90","","90.21","0.03","90","","1803.6","1.2","293","","293","","","","","","","","","8","P 1 21 1","P 2yb","4","","bis[(4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2- benzodiazaphosphol-2-yl]methylamine chloroform solvate","","- C17.98 H23.98 Cl2.95 F12 N5 O8 P2 S4 -","- C17.983 H23 Cl2.948 F12 N5 O8 P2 S4 -","- C35.966 H46 Cl5.896 F24 N10 O16 P4 S8 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.086","0.086","","0.051","","0.051","","","1.878","","","1.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012513","12.99","0.002","6.092","0.003","14.528","0.002","90","","98.55","0.02","90","","1136.9","0.6","180","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-Dimenthyl malonate","Bis(2-isopropyl-5-methylcyclohex-1-yl) malonate","","- C23 H40 O4 -","- C23 H40 O4 -","- C46 H80 O8 -","2","1","NA1538","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Yohannes, Yonas","(‒)-Dimenthyl malonate","Acta Crystallographica Section C","2002","58","2","o84","o85","10.1107/S0108270101019308","","","0.71069","MoKα","","","0.058","","","","0.163","","","","","","0.934","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012546","9.367","0.002","7.5127","0.0015","36.857","0.007","90","","93.184","0.009","90","","2589.7","0.9","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","stigmasterol hemihydrate","stigmasta-5,22-dien-3β-ol hemihydrate","","- C29 H49 O1.5 -","- C29 H49 O1.5 -","- C116 H196 O6 -","4","2","BK1624","Benavides, Gloria A.; Fronczek, Frank R.; Fischer, Nikolaus H.","Stigmasterol hemihydrate","Acta Crystallographica Section C","2002","58","3","o131","o132","10.1107/S0108270102000434","","","0.71073","MoKα","","0.09","0.059","","","0.136","0.156","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012548","7.4945","0.0015","12.973","0.003","20.934","0.004","90","","91","0.02","90","","2035","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","ginkgolide C sesquihydrate","(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR) 3-(1,1-dimethylethyl) hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H,6aH- cyclopenta[c]furo[2,3b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12 (4H)-trione sesquihydrate","","- C20 H27 O12.5 -","- C20 H24 O12.5 -","- C80 H96 O50 -","4","2","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.033","0.031","","","0.084","0.086","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012552","12.5056","0.0014","13.3082","0.0016","12.9491","0.0014","90","","117.695","0.002","90","","1908.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate. methyl-5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate co-crystal (1/1)","","- C38 H46 N6 O10 -","- C38 H46 N6 O10 -","- C76 H92 N12 O20 -","2","1","BM1481","Pilati, Tullio; Casalone, Gianluigi","The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","Acta Crystallographica Section C","2002","58","3","o178","o180","10.1107/S0108270101021552","","","0.71069","MoKα","","0.05","0.039","","","0.095","0.101","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012553","6.9782","0.0009","17.56","0.02","7.7576","0.001","90","","103.884","0.005","90","","922.8","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","BM1481","Pilati, Tullio; Casalone, Gianluigi","The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","Acta Crystallographica Section C","2002","58","3","o178","o180","10.1107/S0108270101021552","","","0.71069","MoKα","","0.039","0.029","","","0.059","0.061","","","","","","0.844","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012579","8.5397","0.0014","7.1025","0.0014","10.7187","0.0016","90","","107.46","0.013","90","","620.17","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-(2-deoxy-α-D-ribofuranosyl)-5-aza-7-deazaguanine","2-amino-8-(2-deoxy-α-D-erythro-pentofuranosyl) -8H-imidazo[1,2-a][1,3,5]triazin-4-one monohydrate","","- C10 H15 N5 O5 -","- C10 H15 N5 O5 -","- C20 H30 N10 O10 -","2","1","JZ1477","Seela, Frank; Rosemeyer, Helmut; Melenewski, Alexander; Heithoff, Eva-Maria; Eickmeier, Henning; Reuter, Hans","The α-D anomer of 5-aza-7-deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2002","58","3","o142","o144","10.1107/S0108270101021916","","","0.71073","MoKα","","0.0319","0.0297","","","0.074","0.0762","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012621","8.3979","0.0009","5.3327","0.0006","11.1482","0.0012","90","","108.422","0.002","90","","473.67","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Trimercury(II) {bis[selenite(IV)] selenate(VI)}]","","- Hg3 O10 Se3 -","- Hg3 O10 Se3 -","- Hg6 O20 Se6 -","2","1","BR1358","Weil, Matthias; Kolitsch, Uwe","Hg~3~Se~3~O~10~, a mercury(II) compound with mixed-valence oxoselenium(IV/VI) anions","Acta Crystallographica Section C","2002","58","4","i47","i49","10.1107/S0108270102001920","","","0.71073","MoKα","","0.032","0.027","","","0.058","0.06","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012623","10.255","0.0015","9.509","0.0014","13.455","0.0014","90","","99.715","0.011","90","","1293.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","carbobenzoxy-dehydro-leucyl-alanyl-leucylmethylester","methyl N-(benzyloxycarbonyl)-α,β-dehydroleucyl-L-alanyl-L-leucinate","","- C24 H35 N3 O6 -","- C24 H35 N3 O6 -","- C48 H70 N6 O12 -","2","1","DE1174","Makker, Jyoti; Dey, Sharmistha; Kumar, Pravindra; Singh, Tej P.","Design of peptides with α,β-dehydro residues: pseudo-tripeptide N-benzyloxycarbonyl‒ΔLeu‒L-Ala‒L-Leu‒OCH~3~","Acta Crystallographica Section C","2002","58","4","o212","o214","10.1107/S0108270101016468","","","1.5418","CuKα","","0.0614","0.053","","","0.1472","0.1542","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012632","10.418","0.004","6.627","0.003","11.733","0.005","90","","106.29","0.02","90","","777.5","0.6","160","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Aquachloro{2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}manganese(III)","","- C16 H16 Cl Mn N2 O3 -","- C16 H16 Cl Mn N2 O3 -","- C32 H32 Cl2 Mn2 N4 O6 -","2","1","GG1092","Martínez, David; Motevalli, Majid; Watkinson, Michael","Aquachloro[N,N'-ethylenebis(salicylideneiminato)]manganese(III)","Acta Crystallographica Section C","2002","58","4","m258","m260","10.1107/S0108270102003529","","","0.71073","MoKα","","","0.037","","","","0.099","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012686","7.47","0.003","11.287","0.004","9.494","0.003","90","","90.83","0.03","90","","800.4","0.5","178","2","178","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,15-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.045","0.036","","","0.09","0.096","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012696","10.0225","0.0014","14.862","0.002","10.0873","0.0014","90","","110.758","0.011","90","","1405","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-3-oxo-11α(H)-eudesm-4-en-12-oic acid","(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2- naphthyl)propionic acid","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","FR1365","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid keto acid","Acta Crystallographica Section C","2002","58","5","o251","o253","10.1107/S0108270102004365","","","0.71073","MoKα","","0.061","0.042","","","0.096","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012732","7.18","0.004","8.43","0.005","12.688","0.01","90","","101.46","0.08","90","","752.7","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside","","- C13 H24 O10 -","- C13 H24 O10 -","- C26 H48 O20 -","2","1","BM1489","Eriksson, Lars; Stenutz, Roland; Widmalm, Göran","Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside","Acta Crystallographica Section C","2002","58","6","o328","o329","10.1107/S0108270102005905","","","0.71073","MoKα","","0.049","0.037","","","0.085","0.087","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012764","8.232","0.003","15.348","0.005","10.539","0.003","90","","94.5","0.02","90","","1327.4","0.8","293","2","293","3","","","","","","","","6","P 1 21 1","P 2yb","4","","Λ-trans(O)-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate","","- C20 H36 Cl Co N4 O10 -","- C20 H36 Cl Co N4 O10 -","- C40 H72 Cl2 Co2 N8 O20 -","2","1","NA1562","Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J.","Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-trans(O)-(1,2-diaminoethane-κ^2^N,N)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate","Acta Crystallographica Section C","2002","58","6","m338","m340","10.1107/S0108270102006728","","","0.71073","MoKα","","0.045","0.0318","","","0.081","0.0881","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012770","10.8806","0.0002","22.467","0.0005","11.5313","0.0003","90","","92.208","0.001","90","","2816.78","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)pyridyl]-1- phenylethyl p-bromobenzoate","","- C30 H33 Br N2 O3 -","- C30 H33 Br N2 O3 -","- C120 H132 Br4 N8 O12 -","4","2","SK1544","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.","(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)piperidin-1-yl]-1-phenylethyl p-bromobenzoate and N-{(3R,4S)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-N-phenylacrylamide","Acta Crystallographica Section C","2002","58","6","o362","o364","10.1107/S0108270102006443","","","1.54178","CuKα","","0.0485","0.0471","","","0.1201","0.1215","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012779","8.6706","0.0005","8.5319","0.0006","13.3143","0.0009","90","","103.84","0.001","90","","956.35","0.11","303","2","303","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene-2-thione","","- C17 H14 S5 Sn -","- C17 H14 S5 Sn -","- C34 H28 S10 Sn2 -","2","1","TR1026","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione","Acta Crystallographica Section C","2002","58","6","m351","m354","10.1107/S0108270102007898","","","0.71073","MoKα","","0.05","0.042","","","0.11","0.118","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012799","9.363","0.0002","9.972","0.0005","11.127","0.0005","90","","105.33","0.003","90","","1001.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-D-ALA-L-PIP-NH^i^Pr","1-(tert-butoxycarbonyl-D-alanyl)-N-isopropyl-L-pipecolamide","","- C17 H31 N3 O4 -","- C17 H31 N3 O4 -","- C34 H62 N6 O8 -","2","1","DN1009","Didierjean, Claude; Boussard, Guy; Aubry, André","A pipecolic acid (Pip)-containing dipeptide, Boc-D-Ala-L-Pip-NH^i^Pr","Acta Crystallographica Section C","2002","58","7","o394","o396","10.1107/S0108270102008715","","","0.7107","MoKα","","0.066","0.054","","","0.14","0.15","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","194538","2020-10-21","18:00:00",""
"2012807","6.699","0.002","11.409","0.003","11.764","0.003","90","","94.98","0.02","90","","895.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","FR1378","Newman, Jacob M.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","2002","58","7","o402","o404","10.1107/S0108270102009393","","","0.71073","MoKα","","0.063","0.041","","","0.077","0.085","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012865","8.42","0.02","23.05","0.01","5.91","0.02","90","","97.7","0.2","90","","1137","5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[Hydroxy(phenyl)methylene]diphosphonic acid monohydrate","","- C7 H12 O8 P2 -","- C7 H12 O8 P2 -","- C28 H48 O32 P8 -","4","2","FG1653","Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry","[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers","Acta Crystallographica Section C","2002","58","8","o521","o524","10.1107/S0108270102012386","","","1.5418","CuKα","","0.05","0.04","","","0.095","0.096","","","","","","1.124","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2012873","11.341","0.002","20.965","0.004","12.334","0.002","90","","117.8","0.03","90","","2594.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","melaminium phosphate hydrate","hexakis(2,4,6-triamino-1,3,5-triazin-1-ium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate","","- C18 H59 N36 O24 P5 -","- C18 H59 N36 O24 P5 -","- C36 H118 N72 O48 P10 -","2","1","GD1207","Janczak, Jan; Perpétuo, Genivaldo Julio","Hexakis(melaminium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate","Acta Crystallographica Section C","2002","58","8","o455","o459","10.1107/S0108270102010521","","","0.71073","MoKα","","0.044","0.03","","","0.062","0.067","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012875","15.4292","0.0005","5.4602","0.0002","18.132","0.0006","90","","113.505","0.001","90","","1400.81","0.08","105","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(L-alanylamino)-L-butyric acid","","- C7 H14.66 N2 O3.33 -","- C7 H14.6667 N2 O3.33333 -","- C42 H88 N12 O20 -","6","3","GD1209","Görbitz, Carl Henrik","N-(L-2-Aminobutyryl)-L-alanine and 2-(L-alanylamino)-L-butyric acid 0.33-hydrate","Acta Crystallographica Section C","2002","58","8","o533","o536","10.1107/S0108270102011691","","","0.71073","MoKα","","0.057","0.037","","","0.071","0.074","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012880","8.9545","0.0004","10.6231","0.0006","9.0858","0.0006","90","","109.497","0.004","90","","814.72","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","dodec-9-one","(1S,3R,8S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec- 9-one","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","1","GG1115","Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.","(1S,3R,8S,9S,10R)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1S,3R,8S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section C","2002","58","8","o518","o520","10.1107/S0108270102012283","","","0.71073","MoKα","","0.06","0.051","","","0.152","0.164","","","","","","1.234","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012890","7.306","0.001","15.247","0.003","13.014","0.002","90","","91.1","0.03","90","","1449.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","VB-2","Methyl 3-deoxy-2-S-methylmercurio-2-thio-β-D-manno-2-octulosonate-(2,6)","","- C10 H18 Hg O7 S -","- C10 H16 Hg O7 S -","- C40 H64 Hg4 O28 S4 -","4","2","OB1066","Belakhov, Valery; Botoshansky, Mark; Baasov, Timor","Methyl 2,3-dideoxy-2-S-methylmercurio-2-thio-β-D-manno-oct-2-ulopyranosonate-(2,6)","Acta Crystallographica Section C","2002","58","8","m450","m452","10.1107/S010827010201123X","","","0.7107","MoKα","","0.069","0.064","","","0.165","0.172","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012927","8.735","0.002","9.526","0.002","10.605","0.003","90","","91","0.02","90","","882.3","0.4","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","benzyl 2-hydroxo-3,4-di-O-acetyl-β-D-fucopyranoside","","- C17 H22 O7 -","- C17 H22 O7 -","- C34 H44 O14 -","2","1","FG1655","Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies","A comparative analysis of mono- and disaccharide benzyl fucopyranosides","Acta Crystallographica Section C","2002","58","9","o537","o539","10.1107/S0108270102012556","","","0.71073","MoKα","","","0.04","","","","0.13","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012964","9.6977","0.0008","9.2191","0.0007","10.3008","0.0008","90","","92.624","0.007","90","","919.97","0.13","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(1'S,4aS,7R,8aR)-4a-ethyl-1-(1'-phenylethyl)octahydroquinolinium-7-ol bromide","","- C19 H30 Br N O -","- C19 H30 Br N O -","- C38 H60 Br2 N2 O2 -","2","1","BM1506","Vázquez, Edna; Galindo, Alberto; Bernès, Sylvain; Gnecco, Dino","(‒)-(1'S,4aS,7R,8aR)-4a-Ethyl-7-hydroxy-1-(1'-phenylethyl)perhydroquinolinium bromide","Acta Crystallographica Section C","2002","58","10","o591","o592","10.1107/S0108270102014725","","","0.71073","MoKα","","0.044","0.033","","","0.074","0.079","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012995","4.9396","0.0007","13.1528","0.0014","8.178","0.0012","90","","102.772","0.009","90","","518.17","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-deoxy-β-D-erythro-furanosyl)-2H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C20 H24 N8 O6 -","2","1","LN1143","He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans","The regioisomeric 1H(2H)-pyrazolo[3,4-d]pyrimidine N^1^- and N^2^-(2'-deoxy-β-D-ribofuranosides)","Acta Crystallographica Section C","2002","58","10","o593","o595","10.1107/S0108270102014944","","","0.71073","MoKα","","0.0332","0.0328","","","0.092","0.0924","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013004","13.285","0.006","5.394","0.002","13.75","0.006","90","","100.19","0.03","90","","969.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dipotassium dimanganese tristrontium tris(diphosphate)","Dipotassium dimanganese tristrontium tris(diphosphate)","","- K2 Mn2 O21 P6 Sr3 -","- K2 Mn2 O21 P6 Sr3 -","- K4 Mn4 O42 P12 Sr6 -","2","1","TA1391","Aicha El Maadi; Ali Boukhari; Elizabeth M. Holt","Dipotassium tristrontium dimanganese tris(diphosphate)","Acta Crystallographica Section C","2002","58","10","i141","i143","10.1107/S0108270102015214","","","0.71073","MoKα","","0.1107","0.0663","","","0.1499","0.1736","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013027","14.1297","0.0005","16.0074","0.0007","15.699","0.001","90","","102.533","0.004","90","","3466.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-MI","7-methoxy-1H-indazole","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C144 H144 N36 O18 -","18","9","GD1218","Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain","7-Methoxy-1H-indazole, a new inhibitor of neuronal nitric oxide synthase","Acta Crystallographica Section C","2002","58","11","o688","o690","10.1107/S0108270102017948","","","0.71073","MoKα","","0.178","0.053","","","0.096","0.128","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013048","10.423","0.004","13.398","0.005","15.861","0.005","90","","93.429","0.009","90","","2211","1.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II)}","","- C20 H26 N2 O4 Pd2 -","- C20 H26 N2 O4 Pd2 -","- C80 H104 N8 O16 Pd8 -","4","2","SK1575","Calmuschi, Beatrice; Englert, Ulli","(R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine-κN)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.105","0.065","","","0.155","0.177","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013049","6.7676","0.0006","4.1477","0.0003","5.0206","0.0005","90","","108.205","0.007","90","","133.87","0.02","30","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","HCFC 31","Chlorofluoromethane","","- C H2 Cl F -","- C H2 Cl F -","- C2 H4 Cl2 F2 -","2","1","SK1582","Binbrek, Omar S.; Torrie, Bruce H.; Swainson, Ian P.","Neutron powder-profile study of chlorofluoromethane","Acta Crystallographica Section C","2002","58","11","o672","o674","10.1107/S0108270102017328","","neutron","1.3279","neutron","","","","","","","","","","1.71","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013083","6.1726","0.0001","14.9068","0.0002","17.6465","0.0003","90","","97.724","0.001","90","","1608.99","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","synthetic steroid","16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate","","- C36 H51 N O6 -","- C36 H51 N O6 -","- C72 H102 N2 O12 -","2","1","NA1582","Thamotharan, S.; Parthasarathi, V.; Ranju Gupta; Sheetal Guleria; Jindal, D. P.; Linden, Anthony","16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate","Acta Crystallographica Section C","2002","58","12","o727","o729","10.1107/S010827010202005X","","","0.71073","MoKα","","0.0627","0.0419","","","0.0958","0.1047","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013121","4.561","0.0008","8.898","0.0017","13.562","0.003","90","","92.138","0.005","90","","550.01","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N^6^-furfuryladenine hydrochloride","N^6^-furfuryladenin-3-ium chloride","","- C10 H10 Cl N5 O -","- C10 H10 Cl N5 O -","- C20 H20 Cl2 N10 O2 -","2","1","DE1200","Stanley, Nithianantham; Muthiah, Packianathan Thomas; Geib, Steven J.","N^6^-Furfuryladenine (kinetin) hydrochloride","Acta Crystallographica Section C","2003","59","1","o27","o29","10.1107/S0108270102021030","","","0.71073","MoKα","","0.058","0.048","","","0.119","0.125","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013123","9.4157","0.0003","9.6893","0.0003","13.9473","0.0004","90","","92.91","0.01","90","","1270.79","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,1'S)-2',2'-dichloro-N-(1-phenylethyl)cyclopropane-1'-carboxamide","","- C12 H13 Cl2 N O -","- C12 H13 Cl2 N O -","- C48 H52 Cl8 N4 O4 -","4","2","DE1205","Yufit, Dmitrii S.; Howard, Judith A.K.","Two 2,2-dihalo-N-(1-phenylethyl)cyclopropane-1-carboxamides","Acta Crystallographica Section C","2003","59","3","o141","o143","10.1107/S0108270103002312","","","0.71073","MoKα","","0.0419","0.0313","","","0.0671","0.0708","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013124","9.2402","0.0004","14.2669","0.0005","9.3542","0.0004","90","","109.33","0.01","90","","1163.64","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,1'R)-2',2'-difluoro-N-(1-phenylethyl)cyclopropane-1'-carboxamide","","- C12 H13 F2 N O -","- C12 H13 F2 N O -","- C48 H52 F8 N4 O4 -","4","2","DE1205","Yufit, Dmitrii S.; Howard, Judith A.K.","Two 2,2-dihalo-N-(1-phenylethyl)cyclopropane-1-carboxamides","Acta Crystallographica Section C","2003","59","3","o141","o143","10.1107/S0108270103002312","","","0.71073","MoKα","","0.0918","0.0454","","","0.0729","0.0844","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013125","5.977","0.003","5.224","0.003","11.972","0.006","90","","104.383","0.01","90","","362.1","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Iodonitrobenzene","3-iodo-1-nitrobenzene","","- C6 H4 I N O2 -","- C6 H4 I N O2 -","- C12 H8 I2 N2 O4 -","2","1","DN1017","Merz, Klaus","Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene","Acta Crystallographica Section C","2003","59","2","o65","o67","10.1107/S0108270102023041","","","0.71073","MoKα","","0.056","0.046","","","0.108","0.112","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013127","10.4878","0.0002","12.2591","0.0002","11.975","0.0003","90","","95.029","0.001","90","","1533.71","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[7,13-bis(2-aminobenzyl)-1,4,10-trioxa- 7,13-diazacyclopentadecane]diisothiocyanatobarium(II)","","- C26 H36 Ba N6 O3 S2 -","- C26 H36 Ba N6 O3 S2 -","- C52 H72 Ba2 N12 O6 S4 -","2","1","FA1001","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; De Blas, Andres; Rodríguez-Blas, Teresa","[7,13-Bis(2-aminobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane]diisothiocyanatobarium(II)","Acta Crystallographica Section C","2003","59","1","m16","m17","10.1107/S0108270102021571","","","0.7107","MoKα","","0.111","0.054","","","0.08","0.099","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013154","5.858","0.002","8.232","0.002","19.241","0.006","90","","91.315","0.01","90","","927.6","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","sarcophine 13","2(R)-[(1E,3E,7S,8S,11E,13R)-13-hydroxy-4,8,12-trimethyl- 7,8-epoxycyclotetradeca-1,3,11-trien-1-yl]propane-1,2-diol","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","GA1004","Fahmy, Hesham; Zjawiony, Jordan K.; Khalifa, Sherief; Fronczek, Frank R.","A semi-synthetic analog of the cembranoid sarcophine","Acta Crystallographica Section C","2003","59","2","o85","o87","10.1107/S0108270103001288","","","0.71073","MoKα","","0.042","0.036","","","0.085","0.089","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013218","11.7152","0.0004","19.627","0.0006","12.131","0.0004","90","","117.978","0.001","90","","2463.34","0.14","298","1","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","estradiol","estra-1,3,5(10)-triene-3,17β-diol-methanol-water (3/2/1)","","- C18.67 H27.33 O3 -","- C18.6667 H27.3333 O3 -","- C112 H164 O18 -","6","3","SQ1003","Parrish, Damon A.; Pinkerton, A. Alan","A new estra-1,3,5(10)-triene-3,17β-diol solvate: estradiol‒methanol‒water (3/2/1)","Acta Crystallographica Section C","2003","59","2","o80","o82","10.1107/S0108270102021637","","","0.56085","AgKα","","0.085","0.058","","","0.134","0.145","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013226","7.3351","0.0003","21.477","0.0009","9.9056","0.0004","90","","97.007","0.001","90","","1548.83","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-o-(L-2'-o-acetyl thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide","","- C32 H48 O9 -","- C32 H48 O9 -","- C64 H96 O18 -","2","1","TA1401","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma","Bis[14β-hydroxy-3β-O-(L-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-O-(L-2'-o-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide","Acta Crystallographica Section C","2003","59","2","o68","o70","10.1107/S0108270102023065","","","0.71073","MoKα","","0.0595","0.0454","","","0.1026","0.1062","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013256","5.404","0.0002","7.6062","0.0004","22.1898","0.0011","90","","94.208","0.003","90","","909.63","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one","","- C18 H35 N O4 -","- C18 H35 N O4 -","- C36 H70 N2 O8 -","2","1","FA1009","Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Bolte, Michael; Kolter, Thomas","(4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2003","59","5","o225","o227","10.1107/S0108270103005493","","","0.71073","MoKα","","0.0415","0.0336","","","0.0815","0.0841","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013269","12.823","0.003","11.269","0.004","15.407","0.004","90","","102.86","0.015","90","","2170.5","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-α-fluoro-16-α-methyl-3,11-dioxoandrosta-1,4-diene-17β- carboxylic acid","","- C23 H29 F O6 -","- C23 H29 F O6 -","- C92 H116 F4 O24 -","4","2","FR1413","Lalancette, Roger A.; Thompson, Hugh W.","9α-Fluoro-16α-methyl-3,11-dioxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding and acetic acid solvation in a steroidal keto acid related to dexamethasone","Acta Crystallographica Section C","2003","59","5","o274","o276","10.1107/S0108270103007121","","","0.71073","MoKα","","0.102","0.059","","","0.128","0.146","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013280","6.005","0.003","17.448","0.004","10.453","0.005","90","","93.846","0.004","90","","1092.7","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C54 H62 N2 O4 -","2","1","GD1244","Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.","16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol","Acta Crystallographica Section C","2003","59","4","o213","o215","10.1107/S0108270103005419","","","0.71073","MoKα","","0.0773","0.0539","","","0.123","0.1364","","","","","","1.054","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013299","8.682","0.002","7.8835","0.0016","8.998","0.003","90","","118.088","0.018","90","","543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C18 H28 N8 O8 -","2","1","JZ1548","Seela, Frank; He, Yang; Eickmeier, Henning","5-Methyl-6-aza-2'-deoxyisocytidine","Acta Crystallographica Section C","2003","59","4","o194","o196","10.1107/S0108270103004827","","","0.71073","MoKα","","0.037","0.0363","","","0.1037","0.1051","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013333","6.894","0.001","9.423","0.001","14.428","0.002","90","","93.266","0.01","90","","935.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","dimethyl (1R,1'R,3'S,6'S)-[6'-tert-butyl-5'-methyoxy-6'-methyl-7'-oxa-8'-oxo- 4'-aza-spiro[2.5] oct-4'-en-1'-yl)hydroxymethylphosphonate","","- C15 H26 N O7 P -","- C15 H26 N O7 P -","- C30 H52 N2 O14 P2 -","2","1","NA1611","Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta","(1R,3S,6S)-6-tert-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1S,1'R,3'S,6'S)-(6'-tert-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate","Acta Crystallographica Section C","2003","59","6","o317","o320","10.1107/S0108270103008564","","","1.54178","CuKα","","0.0395","0.0354","","","0.0996","0.1015","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013338","11.4372","0.0004","7.8901","0.0003","21.1268","0.0009","90","","97.896","0.002","90","","1888.42","0.13","120","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","2","OB1096","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","17α,21-Dihydroxy-16β-methylpregna-1,4-diene-3,11,20-trione (meprednisone)","Acta Crystallographica Section C","2003","59","4","o187","o189","10.1107/S0108270103003184","","","0.71073","MoKα","","0.0666","0.0437","","","0.0864","0.0994","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013352","6.0261","0.0005","12.0503","0.001","12.312","0.001","90","","100.274","0.001","90","","879.72","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I)","","- C17 H17 Ag N4 O2 -","- C17 H17 Ag N4 O2 -","- C34 H34 Ag2 N8 O4 -","2","1","OB1119","Hai-Liang Zhu; Anwar Usman; Hoong-Kun Fun; Xian-Jiang Wang","Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I)","Acta Crystallographica Section C","2003","59","6","m218","m220","10.1107/S0108270103008916","","","0.71073","MoKα","","0.0397","0.0337","","","0.0831","0.0866","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013353","11.144","0.002","13.047","0.003","18.429","0.004","90","","98.19","0.03","90","","2652.2","1","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L^4^ is 3-[2,6-bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester","","- C24 H38 N4 O6 -","- C24 H38 N4 O6 -","- C96 H152 N16 O24 -","4","2","SK1603","Muller, Gilles; Schmidt, Boris; Jiřiček, Jan; Bünzli, Jean-Claude G.; Schenk, Kurt J.","3-[2,6-Bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester: a chiral tridentate ligand that causes a diastereomeric excess of its lanthanide complexes in solution","Acta Crystallographica Section C","2003","59","6","o353","o356","10.1107/S0108270103006656","","","0.71073","MoKα","","0.0422","0.0354","","0.0576","","0.0573","","","","","","2.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013375","5.903","0.002","9.495","0.004","11.63","0.006","90","","96.09","0.02","90","","648.2","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","nootkatone","","","- C15 H22 O -","- C15 H22 O -","- C30 H44 O2 -","2","1","SQ1013","Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.","The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative","Acta Crystallographica Section C","2003","59","5","o254","o256","10.1107/S010827010300684X","","","0.71073","MoKα","","0.068","0.041","","","0.085","0.098","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013376","13.5","0.003","6.1403","0.001","18.909","0.005","90","","92.145","0.007","90","","1566.3","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Br2 O -","- C15 H24 Br2 O -","- C60 H96 Br8 O4 -","4","2","SQ1013","Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.","The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative","Acta Crystallographica Section C","2003","59","5","o254","o256","10.1107/S010827010300684X","","","0.71073","MoKα","","0.081","0.053","","","0.086","0.095","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013416","11.546","0.002","10.321","0.003","11.594","0.004","90","","118.031","0.005","90","","1219.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'R,3'R,5'R,2S,3S)-3-bromomethyl-3-hydroxy-2-[(2'-hydroxy-2',6',6'- trimethylbicyclo[3.1.1]hept-3'-ylidene)amino]succinic acid","","- C21 H34 Br N O6 -","- C21 H34 Br N O6 -","- C42 H68 Br2 N2 O12 -","2","1","DN1023","Johny Wehbe; Valérie Rolland; Jean Martinez; Marc Rolland","An intermediate in a new synthesis approach to β-substituted β-hydroxyaspartame","Acta Crystallographica Section C","2003","59","8","o473","o475","10.1107/S0108270103014057","","","0.71073","MoKα","","0.0598","0.0458","","","0.1087","0.1194","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013475","10.8449","0.001","7.3649","0.0009","11.1537","0.0017","90","","90.182","0.008","90","","890.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-Bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-4H- pyrazolo[3,4-d]pyrimidin-4-one","","- C13 H19 Br F N5 O6 -","- C13 H19 Br F N5 O6 -","- C26 H38 Br2 F2 N10 O12 -","2","1","LN1167","He, Junlin; Eickmeier, Henning; Seela, Frank","6-Amino-3-bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one‒acetone‒water (1/1/1): a fluorinated 2'-deoxyguanosine analogue with the sugar conformation of a ribonucleoside","Acta Crystallographica Section C","2003","59","7","o406","o408","10.1107/S0108270103011430","","","0.71073","MoKα","","0.0458","0.0417","","","0.1166","0.1242","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013495","13.283","0.002","14.153","0.002","13.452","0.002","90","","105.252","0.002","90","","2439.8","0.6","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","ChaASC","Ascidiacyclamide analogue (Ile1 was replaced with Cha) cyclo(-Cha-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz-) Cha=cyclohexylalanine from dimethylacetamide solution","","- C43 H69 N9 O9 S2 -","- C43 H69 N9 O9 S2 -","- C86 H138 N18 O18 S4 -","2","1","OB1130","Akiko Asano; Takeshi Yamada; Atsushi Numata; Mitsunobu Doi","cyclo(-Cha‒Oxz‒D-Val‒Thz‒Ile‒Oxz‒D-Val‒Thz-) N,N-dimethylacetamide dihydrate: a square form of cyclohexylalanine-incorporated ascidiacyclamide having the strongest cytotoxicity","Acta Crystallographica Section C","2003","59","9","o488","o490","10.1107/S0108270103014495","","","0.71073","MoKα","","0.0568","0.0506","","","0.1316","0.1371","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013496","10.98","0.002","16.575","0.003","11.64","0.002","90","","95.51","0.01","90","","2108.6","0.7","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H51 Cd N11 O18 -","- C34 H51 Cd N11 O18 -","- C68 H102 Cd2 N22 O36 -","2","1","OB1131","Smith, Christopher B.; Lincoln, Stephen F.; Taylor, Max R.; Wainwright, Kevin P.","Λ-{1,4,7,10-Tetrakis[(S)-2-hydroxypropyl-κO]-1,4,7,10-tetraazacyclododecane-κ^4^N}cadmium(II) bis(2,4,6-trinitrophenolate) acetonitrile solvate","Acta Crystallographica Section C","2003","59","9","m358","m360","10.1107/S0108270103016007","","","0.71073","MoKα","","0.024","0.023","","0.057","","0.057","","","1.234","","","1.236","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013505","8.174","0.0005","22.8266","0.0012","9.03","0.0005","90","","116.444","0.001","90","","1508.57","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethyl 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","2","SK1642","Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka","2-Aminothiazole and 2-aminothiazolinone derivatives","Acta Crystallographica Section C","2003","59","9","o502","o505","10.1107/S0108270103015580","","","0.71073","MoKα","","0.0646","0.0527","","","0.129","0.1389","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013515","8.0029","0.001","5.4952","0.0005","10.928","0.0015","90","","96.84","0.005","90","","477.17","0.1","293","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-aminopyridinium hydrogen maleate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","SK1655","Lah, Nina; Leban, Ivan","4-Aminopyridinium hydrogen maleate","Acta Crystallographica Section C","2003","59","9","o537","o538","10.1107/S010827010301727X","","","0.71073","MoKα","","0.029","0.026","","","0.056","0.058","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013565","9.1673","0.0003","9.0698","0.0002","9.8939","0.0003","90","","93.8823","0.0017","90","","820.75","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","dichloroneophylphenylstannane","Dichloro(2-methyl-2-phenylpropyl)phenylstannane","","- C16 H18 Cl2 Sn -","- C16 H18 Cl2 Sn -","- C32 H36 Cl4 Sn2 -","2","1","DN1033","Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K","Acta Crystallographica Section C","2003","59","12","m526","m529","10.1107/S0108270103024272","","","0.71073","MoKα","","0.0284","0.026","","","0.0615","0.0627","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013566","9.2966","0.0003","9.3763","0.0003","9.6898","0.0003","90","","93.01","0.002","90","","843.47","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","dibromoneophylphenylstannane","Dibromo(2-methyl-2-phenylpropyl)phenylstannane","","- C16 H18 Br2 Sn -","- C16 H18 Br2 Sn -","- C32 H36 Br4 Sn2 -","2","1","DN1033","Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K","Acta Crystallographica Section C","2003","59","12","m526","m529","10.1107/S0108270103024272","","","0.71073","MoKα","","0.0275","0.0257","","","0.0604","0.0612","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013585","10.136","0.003","14.867","0.004","10.238","0.003","90","","111.36","0.02","90","","1436.8","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-2-(1,2,3,4,4a,5,6,7,8,8aα-decahydro-4aβ,8α-dimethyl- 7-oxo-2β-naphthyl)propionic acid","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","FR1424","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-2-(1,2,3,4,4a,5,6,7,8,8aα-Decahydro-4aβ,8α-dimethyl-7-oxo-2β-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid ζ-keto acid","Acta Crystallographica Section C","2003","59","10","o580","o582","10.1107/S0108270103018997","","","0.71073","MoKα","","0.117","0.055","","","0.097","0.12","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013616","9.293","0.001","5.1612","0.0003","12.563","0.001","90","","91.31","0.02","90","","602.4","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(4-methylthiosemicarbazono)methyl]-2-naphthol","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.048","0.03","","","0.073","0.08","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013642","4.899","0.002","18.268","0.006","5.043","0.002","90","","118.39","0.02","90","","397","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C12 H28 O12 -","2","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of D-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.033","0.031","","","0.078","0.079","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013649","11.001","0.002","8.307","0.002","13.332","0.003","90","","90.39","0.03","90","","1218.3","0.5","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","dibothrioclinin I","(+)-(11R,12S,25R,27S)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione","","- C30 H28 O6 -","- C30 H28 O6 -","- C60 H56 O12 -","2","1","LN1173","Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi","Dibothrioclinin I and II, epimers from Gerbera piloselloides (L.) Cass","Acta Crystallographica Section C","2003","59","10","o593","o595","10.1107/S010827010301864X","","","0.71073","MoKα","","0.054","0.054","","","0.138","0.138","","","","","","1.228","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013699","6.0077","0.0007","15.4106","0.0014","11.0654","0.0013","90","","96.066","0.002","90","","1018.72","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 I O5 -","- C21 H21 I O5 -","- C42 H42 I2 O10 -","2","1","SQ1137","Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert","A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor","Acta Crystallographica Section C","2003","59","12","o721","o723","10.1107/S0108270103025757","","","0.71073","MoKα","","0.0379","0.0284","","","0.0625","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013715","7.4158","0.0005","8.9373","0.0008","16.228","0.002","90","","100.218","0.007","90","","1058.49","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-cyano(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) bis(perchlorate) hydrate","","- C12 H29 Cl2 Co N6 O9 -","- C12 H29 Cl2 Co N6 O9 -","- C24 H58 Cl4 Co2 N12 O18 -","2","1","TA1425","Bernhardt, Paul V.; Macpherson, Brendan P.","trans-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and trans-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)","Acta Crystallographica Section C","2003","59","12","m533","m536","10.1107/S0108270103023370","","","0.71073","MoKα","","0.032","0.029","","","0.072","0.075","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013718","10.3152","0.0013","13.5764","0.0017","13.8415","0.0018","90","","96.345","0.002","90","","1926.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H46 F6 N2 O2 P2 Pd -","- C37 H46 F6 N2 O2 P2 Pd -","- C74 H92 F12 N4 O4 P4 Pd2 -","2","1","TR1065","Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi","{Bis[(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^N,P}(1,3-dimethyl-π-allyl-κ^3^C)palladium(II) hexafluorophosphate and (S)~P~-{bis[(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^N,P}dichloropalladium(II)","Acta Crystallographica Section C","2003","59","11","m487","m490","10.1107/S010827010302170X","","","0.71073","MoKα","","0.0316","0.0296","","","0.0735","0.0743","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013745","8.9837","0.0008","9.56","0.0008","10.1222","0.0009","90","","98.225","0.002","90","","860.39","0.13","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α- carboxamide","","- C17 H22 F I N2 O -","- C17 H22 F I N2 O -","- C34 H44 F2 I2 N4 O2 -","2","1","BM1554","Krebs, Birte; Flörke, Ulrich","N-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α-carboxamide: a new cocaine derivative with equatorially attached ligands","Acta Crystallographica Section C","2004","60","2","o118","o119","10.1107/S0108270103027835","","","0.71073","MoKα","","0.035","0.031","","","0.07","0.071","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013783","11.455","0.002","9.1008","0.0017","14.779","0.003","90","","106.993","0.003","90","","1473.4","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","CBS Oxazaborolidine dimer","3,3,3',3'-tetraphenyl-1,1'-spirobi(3a,4,5,6-tetrahydro-3H- pyrrolo[1,2-c][1,3,2]oxazaborole)‒7-borane","","- C34 H38 B2 N2 O2 -","- C34 H38 B2 N2 O2 -","- C68 H76 B4 N4 O4 -","2","1","FR1462","Ortiz-Marciales, Margarita; De Jesús, Melvin; Gonzáles, Eduvigis; Raptis, Raphael G.; Baran, Peter","A 1,3,2-oxazaborolidine dimer derived from (S)-α,α-diphenylprolinol","Acta Crystallographica Section C","2004","60","3","o173","o175","10.1107/S0108270104000666","","","0.71073","MoKα","","0.0621","0.0436","","","0.1073","0.1256","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013785","6.639","0.003","13.53","0.006","11.91","0.005","90","","107.25","0.03","90","","1021.7","0.8","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","GA1026","Yamamoto, Chishou; Matsumoto, Taisuke; Watanabe, Masataka; Hitzer, Eckhard M. S.; Mataka, Shuntaro; Thiemann, Thies","6-[3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7β-yl]hexanenitrile","Acta Crystallographica Section C","2004","60","2","o130","o132","10.1107/S010827010302866X","","","0.7107","MoKα","","","0.035","","","","0.082","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013853","6.4219","0.0001","32.4115","0.0005","8.0981","0.0001","90","","99.651","0.0007","90","","1661.71","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]- 3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C37 H56 N2 O4 -","- C37 H56 N2 O4 -","- C74 H112 N4 O8 -","2","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.046","0.037","","","0.086","0.092","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013868","6.1855","0.0001","7.5511","0.0001","22.6406","0.0004","90","","95.9439","0.001","90","","1051.8","0.03","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-Cyano-3α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost- 5-en-3β-yl acetate","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C46 H62 N6 O6 -","2","1","SK1690","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","2","o161","o162","10.1107/S0108270103028452","","","0.71073","MoKα","","0.057","0.043","","","0.098","0.108","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013870","13.5243","0.0002","7.3983","0.0001","21.8934","0.0003","90","","102.156","0.0008","90","","2141.47","0.05","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-(p-fluorophenyl)-17a-aza-2'H-pyrazolo[4',3':16,17]-D-homoandrost-4-en-3-one","","- C26 H30 F N3 O -","- C26 H30 F N3 O -","- C104 H120 F4 N12 O4 -","4","2","SK1692","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","An aza-steroidal [17,16-c]pyrazole derivative: 2'-(p-fluorophenyl)-17a-aza-2'H-pyrazolo[4',3':16,17]-D-homoandrost-4-en-3-one","Acta Crystallographica Section C","2004","60","2","o158","o160","10.1107/S0108270103029159","","","0.71073","MoKα","","0.0562","0.0411","","","0.0908","0.0995","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013888","5.563","0.002","9.891","0.003","14.8","0.003","90","","95.02","0.02","90","","811.2","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","tert-Butyl (6S)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and tert-butyl (4R,6S)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","1.5418","CuKα","","","0.048","","","","0.1545","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013890","12.9121","0.0006","5.3871","0.0003","14.8945","0.0007","90","","109.692","0.002","90","","975.45","0.09","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6S)-6-Isobutylpiperidine-2,4-dione and (4R,6S)/(4S,6S)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.0425","","","","0.1139","","","","","","1.012","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013891","5.8912","0.0011","10.0825","0.0012","11.0998","0.0017","90","","102.821","0.015","90","","642.87","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-1-(β-D-ribofuranosyl)-1H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C24 H26 N6 O12 -","2","1","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole N^1^- and N^2^-(β-D-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.061","0.047","","","0.116","0.126","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013892","4.9355","0.0013","35.936","0.005","7.1833","0.0009","90","","99.311","0.018","90","","1257.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-2-(β-D-ribofuranosyl)-2H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","2","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole N^1^- and N^2^-(β-D-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.095","0.061","","","0.146","0.17","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013912","14.447","0.002","11.0153","0.0016","17.803","0.003","90","","90.602","0.003","90","","2833","0.7","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine","","- C38 H32 N2 -","- C38 H32 N2 -","- C152 H128 N8 -","4","2","AV1182","Zhang, Zhibin; Burkholder, Eric; Zubieta, Jon","Non-merohedrally twinned crystals of N,N'-bis(3-methylphenyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine: an excellent triphenylamine-based hole transporter","Acta Crystallographica Section C","2004","60","6","o452","o454","10.1107/S0108270104010479","","","0.71073","MoKα","","0.1393","0.0629","","","0.1123","0.1303","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013930","10.7567","0.0019","9.8","0.009","12.926","0.004","90","","96.63","0.02","90","","1353.5","1.3","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2,6-di-O-benzyl-3,4-O-phenylphosphinediyl-β-D-galactopyranoside (P—B)borane","","- C27 H32 B O6 P -","- C27 H32 B O6 P -","- C54 H64 B2 O12 P2 -","2","1","BM1560","Johansson, Magnus J.; Bergh, Anders; Larsson, Krister","Methyl 2,6-di-O-benzyl-3,4-O-phenylphosphinediyl-β-D-galactopyranoside(P—B)borane with chirality on the P atom","Acta Crystallographica Section C","2004","60","5","o312","o314","10.1107/S0108270104004287","","","0.71073","MoKα","","","0.0482","","","","0.1435","","","","","","1.043","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2013938","3.8338","0.0007","10.5755","0.0012","8.3938","0.0012","90","","96.182","0.014","90","","338.34","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[(pyridazine-κN)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]","","- C5 H4 Cu N3 S -","- C5 H4 Cu N3 S -","- C10 H8 Cu2 N6 S2 -","2","1","DE1232","Näther, Christian; Jeß, Inke","Poly[[(pyridazine-κN)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]","Acta Crystallographica Section C","2004","60","4","m153","m155","10.1107/S0108270104003750","","","0.71073","MoKα","","0.0441","0.0278","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013963","6.024","0.002","10.371","0.003","9.917","0.003","90","","97.53","0.03","90","","614.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinan-2-one","","- C11 H15 O6 P -","- C11 H15 O6 P -","- C22 H30 O12 P2 -","2","1","FG1743","Ślepokura, Katarzyna; Lis, Tadeusz","5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section C","2004","60","5","o315","o317","10.1107/S0108270104006110","","","0.71073","MoKα","","0.0354","0.0328","","","0.0804","0.0819","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014018","8.203","0.002","5.475","0.001","8.311","0.002","90","","90.97","0.03","90","","373.21","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Glycine nickel dichloride dihydrate","","","- C2 H9 Cl2 N Ni O4 -","- C2 H9 Cl2 N Ni O4 -","- C4 H18 Cl4 N2 Ni2 O8 -","2","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0161","0.0157","","","0.0375","0.0376","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014035","5.635","0.0014","8.2897","0.0018","17.382","0.004","90","","99.256","0.009","90","","801.4","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucyl-L-phenylalanine","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C30 H52 N4 O10 -","2","1","NA1649","Görbitz, Carl Henrik","L-Isoleucyl-L-phenylalanine dihydrate","Acta Crystallographica Section C","2004","60","5","o371","o373","10.1107/S0108270104007255","","","0.71073","MoKα","","0.0641","0.0389","","","0.0745","0.0816","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014062","7.2644","0.0004","7.8657","0.0003","10.1522","0.0005","90","","103.19","0.002","90","","564.79","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C12 H17 N S -","- C12 H17 N S -","- C24 H34 N2 S2 -","2","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0318","0.0292","","","0.0688","0.07","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014067","5.3804","0.0002","7.9959","0.0004","14.4462","0.0007","90","","95.226","0.002","90","","618.91","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-methyl-2-phenoxybenzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having Z' = 4, and spontaneous resolution in monoclinic N-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.0588","0.055","","","0.1411","0.1447","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014068","9.6413","0.0011","17.3888","0.0011","15.8778","0.0011","90","","95.373","0.008","90","","2650.2","0.4","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(3aS,7aS)-1-{2-Oxo-1,3-bis[(S)-1-phenylethyl]perhydro-1,3,2λ^5^- benzodiazaphosphol-2-yl]-1-phenylmethanol:","","- C29 H35 N2 O2 P -","- C29 H35 N2 O2 P -","- C116 H140 N8 O8 P4 -","4","2","SK1717","Moreno, Gloria E.; Quintero, Leticia; Bernès, Sylvain; Anaya de Parrodi, Cecilia","(3aS,7aS)-1-{2-Oxo-1,3-bis[(S)-1-phenylethyl]perhydro-1,3,2λ^5^-benzodiazaphosphol-2-yl}-1-phenylmethanol: a mixture of diastereoisomers in a disordered crystal","Acta Crystallographica Section C","2004","60","6","o411","o414","10.1107/S0108270104008492","","","0.71073","MoKα","","0.0702","0.0466","","","0.1182","0.1293","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014112","7.882","0.002","12.05","0.003","12.602","0.004","90","","99.273","0.005","90","","1181.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2-) 4-nitrophthalic acid monohydrate","","- C21 H24 N4 O13 -","- C21 H24 N4 O13 -","- C42 H48 N8 O26 -","2","1","DE1248","Guo Ming-Lin","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2‒) 4-nitrophthalic acid monohydrate","Acta Crystallographica Section C","2004","60","9","o690","o692","10.1107/S0108270104018207","","","0.71073","MoKα","","0.0483","0.0366","","","0.0818","0.0904","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014115","10.589","0.002","17.537","0.003","11.686","0.002","90","","100.954","0.003","90","","2130.5","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diacetato-κ^2^O-bis[(S)-1-(1-aminoethyl)-4-fluorophenyl-κN]palladium(II)","","- C20 H26 F2 N2 O4 Pd -","- C20 H26 F2 N2 O4 Pd -","- C80 H104 F8 N8 O16 Pd4 -","4","2","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^O-bis[(S)-1-(4-fluorophenyl)ethylamine-κN]palladium(II) and di-μ-acetato-κ^4^O:O'-bis{[(S)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^C^1^,N]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.0225","0.0223","","","0.0607","0.0608","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014117","5.1173","0.0007","8.561","0.002","10.309","0.001","90","","94.63","0.01","90","","450.16","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","lithium molybdyl arsenate","β-LiMoO~2~AsO~4~","","- As2 Li2 Mo2 O12 -","- As Li Mo O6 -","- As4 Li4 Mo4 O24 -","4","2","DN1050","Hajji, Mounir; Zid, Mohamed Faouzi; Driss, Ahmed; Jouini, Tahar","β-LiMoO~2~(AsO~4~)","Acta Crystallographica Section C","2004","60","8","i76","i78","10.1107/S0108270104013162","","","0.71073","MoKα","","0.0274","0.0252","","","0.0629","0.0637","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014151","8.841","0.002","7.746","0.001","16.326","0.003","90","","98.092","0.002","90","","1106.9","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Bis(acetoxy)curcumin","4-[7-(4-Acetoxy-3-methoxyphenyl)-5-hydroxy-3-oxohepta-1,4,6-trienyl]-2- methoxyphenyl acetate","","- C25 H24 O8 -","- C25 H24 O8 -","- C50 H48 O16 -","2","1","FR1497","Mague, Joel T.; Alworth, William L.; Payton, Florastina L.","Curcumin and derivatives","Acta Crystallographica Section C","2004","60","8","o608","o610","10.1107/S0108270104015434","","","0.71073","MoKα","","0.0614","0.0461","","","0.1068","0.1131","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014177","6.074","0.0012","9.125","0.0018","9.445","0.0019","90","","103.11","0.03","90","","509.85","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C20 H26 Cl2 O4 -","2","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.103","0.0514","","","0.1342","0.155","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014178","10.6052","0.0006","8.3553","0.0006","13.0588","0.001","90","","94.167","0.006","90","","1154.08","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-4-(4-Fluorophenyl)1-[2-hydroxy-2-(3-methyl-1-benzofuran-2- yl)ethyl]piperazinium chloride propan-1-ol solvate","","- C24 H32 Cl F N2 O3 -","- C24 H32 Cl F N2 O3 -","- C48 H64 Cl2 F2 N4 O6 -","2","1","GG1217","Kurfürst, Pavel; Marek, Jaromír; Vančo, Ján; Csöllei, Jozef","(R)-4-(4-Fluorophenyl)-1-[2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]piperazinium chloride propan-1-ol solvate","Acta Crystallographica Section C","2004","60","7","o494","o495","10.1107/S0108270104011369","","","0.71073","MoKα","","0.0259","0.0247","","","0.0655","0.0662","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014227","6.1997","0.0006","10.6324","0.0012","15.8948","0.0014","90","","97.145","0.007","90","","1039.61","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6β-Azido-7α-hydroxy-17-oxo-5α-androst-3β-yl acetate","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C42 H62 N6 O8 -","2","1","SK1730","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","6β-Azido-7α-hydroxy-17-oxo-5α-androstan-3β-yl acetate","Acta Crystallographica Section C","2004","60","9","o630","o632","10.1107/S0108270104011989","","","0.71073","MoKα","","0.0699","0.0474","","","0.1335","0.1481","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014233","3.7492","0.0013","6.9376","0.0014","23.099","0.008","90","","90.118","0.011","90","","600.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Fluorophenyl)-4-nitrophthalimide","","- C14 H7 F N2 O4 -","- C14 H7 F N2 O4 -","- C28 H14 F2 N4 O8 -","2","1","SK1736","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","N-(4-Fluorophenyl)-4-nitrophthalimide: tripartite hydrogen-bonded sheets","Acta Crystallographica Section C","2004","60","7","o511","o513","10.1107/S0108270104013575","","","0.71073","MoKα","","0.1188","0.0701","","","0.1343","0.1539","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014244","6.4227","0.0005","13.5815","0.001","7.5439","0.0003","90","","108.665","0.004","90","","623.44","0.07","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0394","0.0358","","","0.091","0.0943","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014245","6.335","0.0002","13.7876","0.0006","7.5572","0.0002","90","","107.907","0.002","90","","628.1","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.036","0.0322","","","0.0753","0.0781","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014265","4.799","0.002","13.601","0.003","11.014","0.003","90","","100.49","0.03","90","","706.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Deaza-7-(propynyl)-2'-deoxyguanosine","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C28 H32 N8 O8 -","2","1","SX1139","Seela, Frank; Shaikh, Khalil; Eickmeier, Henning","7-Deaza-2'-deoxy-7-propynylguanosine","Acta Crystallographica Section C","2004","60","7","o489","o491","10.1107/S0108270104011552","","","0.71073","MoKα","","0.1012","0.0629","","","0.1503","0.1721","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014266","5.383","0.004","6.315","0.004","15.588","0.01","90","","98.623","0.006","90","","523.9","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-valine","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C16 H32 N4 O8 -","2","1","SX1142","Moen, Anders; Frøseth, Morten; Görbitz, Carl Henrik; Dalhus, Bjørn","A non-planar peptide bond in L-seryl-L-valine","Acta Crystallographica Section C","2004","60","8","o564","o565","10.1107/S0108270104014325","","","0.71073","MoKα","","0.0305","0.0293","","","0.0744","0.0748","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014312","9.943","0.003","5.351","0.002","11.154","0.003","90","","105.38","0.03","90","","572.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosine methyl ester hydrochloride","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C20 H28 Cl2 N2 O6 -","2","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of L-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","0.71073","MoKα","","0.0545","0.0422","","","0.0881","0.0913","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014328","7.6434","0.0007","5.7609","0.0005","13.4396","0.0012","90","","93.754","0.004","90","","590.51","0.09","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-phenylalanyl-L-serine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","L-Isoleucyl-L-serine 0.33-hydrate, L-phenylalanyl-L-serine and L-methionyl-L-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0329","0.0307","","","0.0826","0.084","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014333","12.541","0.003","9.5315","0.0019","15.989","0.003","90","","110.91","0.03","90","","1785.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(azonia-12-crown-4) bis(4-aminobenzoate) trihydrate","bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","","- C30 H54 N4 O13 -","- C30 H54 N4 O13 -","- C60 H108 N8 O26 -","2","1","FG3002","Basok, Stepan S.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Eduard V.; Simonov, Yurii A.","Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","Acta Crystallographica Section C","2006","62","1","o50","o52","10.1107/S0108270105040667","","","0.71073","MoKα","","0.0457","0.0301","","","0.0584","0.0618","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014370","10.532","0.003","7.2834","0.0017","10.599","0.003","90","","113.352","0.003","90","","746.4","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-lysine complex","L-lysine hydrogen adipate","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of L- and DL-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.0565","0.051","","","0.1299","0.1345","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014378","5.5803","0.0003","11.5739","0.001","13.142","0.0008","90","","98.66","0.005","90","","839.11","0.1","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoin-4-ethylthiosemicarbazone","2-hydroxy-1,2-diphenylethanone 4-ethylthiosemicarbazone","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","SF1021","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","Benzoin 4-ethylthiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o13","o15","10.1107/S0108270105037728","","","0.71073","MoKα","","0.0743","0.0483","","","0.1226","0.135","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014383","4.0511","0.0009","12.076","0.003","12.771","0.003","90","","90.287","0.012","90","","624.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(3-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","SK1880","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of R~4~^4^(22) rings","Acta Crystallographica Section C","2006","62","1","o5","o7","10.1107/S0108270105033512","","","0.71073","MoKα","","0.1264","0.0671","","","0.147","0.2008","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014434","8.909","0.0012","7.184","0.0008","10.494","0.0011","90","","98.83","0.009","90","","663.68","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Mikanolide","7,10a-dimethyl-1a,1b,2a,6a,7,9a,10,10a-octahydro-4H-6,3- methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione or 1,10:2,3-diepoxy-6,8-dihydroxygermacr-4-ene-11-vinyl-12,14- di-γ-lactone","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","BM1574","Bakir, Mohammed; Facey, Petrea C.; Hassan, Ishmael; Mulder, Willem H.; Porter, Roy B.","Mikanolide from Jamaican Mikania micrantha","Acta Crystallographica Section C","2004","60","11","o798","o800","10.1107/S0108270104017809","","","0.71073","MoKα","","0.0457","0.0369","","","0.0931","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014467","7.8033","0.0002","15.1425","0.0005","12.7301","0.0003","90","","106.305","0.002","90","","1443.71","0.07","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl-κN^2^)pyridine-κN](perchlorato- κO)copper(II)}","","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C44 H36 Br4 Cl4 Cu4 N20 O16 -","2","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.1135","0.0503","","","0.1035","0.1284","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014476","6.6423","0.001","14.734","0.003","11.817","0.002","90","","93.756","0.013","90","","1154","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-Camphoracetic acid","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Thompson, Hugh W.; Coté, Marie L.; Lalancette, Roger A.","(+)-Camphoracetic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o727","o729","10.1107/s010827010401947x","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014486","5.5634","0.0003","17.0558","0.0009","16.6859","0.0009","90","","96.744","0.001","90","","1572.34","0.15","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenyl-L-isoleucine","","- C15 H23.76 N2 O3.88 -","- C15 H23.763 N2 O3.8815 -","- C60 H95.052 N8 O15.526 -","4","2","GA1081","Görbitz, Carl Henrik","L-Phenylalanyl-L-isoleucine 0.88-hydrate","Acta Crystallographica Section C","2004","60","11","o810","o812","10.1107/S0108270104022851","","","0.71073","MoKα","","0.0323","0.0294","","","0.0745","0.0765","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014496","8.2","0.0007","16.2132","0.0014","11.6706","0.001","90","","97.244","0.001","90","","1539.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","kd-e-3-19 dmf","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethylformamide solvate","","- C35 H35 N O11 -","- C35 H35 N O11 -","- C70 H70 N2 O22 -","2","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from Heracleum candicans WALL.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0432","0.0419","","","0.1144","0.1158","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014562","7.992","0.002","12.704","0.003","9.471","0.002","90","","99.68","0.03","90","","947.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine","2,3-dimethoxystrychnidin-10-one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0427","0.0397","","","0.0864","0.0887","","","","","","1.097","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014563","12.765","0.003","7.136","0.0014","13.686","0.003","90","","114.35","0.03","90","","1135.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine acetone solvate","2,3-dimethoxystrychnidin-10-one acetone solvate","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0306","0.0297","","","0.0798","0.0805","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014567","11.166","0.005","14.852","0.007","8.636","0.004","90","","97.89","0.04","90","","1418.6","1.1","297","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(R)-3,5-dichloro-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(R)-3,5-dichloro-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O]copper(II) and bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0343","","","","0.093","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014568","9.227","0.004","42.38","0.01","8.035","0.003","90","","103.67","0.03","90","","3053","1.9","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C34 H36 Cu N2 O4 -","- C34 H36 Cu N2 O4 -","- C136 H144 Cu4 N8 O16 -","4","2","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(R)-3,5-dichloro-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O]copper(II) and bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0661","","","","0.242","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014569","14.552","0.005","4.61","0.002","15.989","0.005","90","","109.86","0.03","90","","1008.8","0.7","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","cyclo-(3-Methylsaligenyl)-5-O-[1-(2,4-difluoro-5-iodophenyl)-2 -deoxy-β-D-ribofuranosyl]-(S)-phosphate","(2S)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-D-ribofuranos-5-yl]-8- methyl-4H-1,3,2-benzodioxaphosphole 2-oxide","","- C19 H18 F2 I O6 P -","- C19 H18 F2 I O6 P -","- C38 H36 F4 I2 O12 P2 -","2","1","SX1133","Ohkura, Kazue; Sun, Wei-Yan; Seki, Koh-ichi; Knaus, Edward E.; Wiebe, Leonard I.","(2S)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-D-ribofuranos-5-yloxy]-8-methyl-4H-1,3,2-benzodioxaphosphole 2-oxide","Acta Crystallographica Section C","2004","60","11","o789","o791","10.1107/S0108270104021602","","","0.7107","MoKα","","","0.037","","","","0.096","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014571","6.2531","0.001","13.738","0.002","8.8997","0.0014","90","","98.281","0.003","90","","756.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(4R)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","SX1144","Tracey, Michael R.; Grebe, Tyler P.; Brennessel, William W.; Hsung, Richard P.","(4R)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one, an unsubstituted allenamide","Acta Crystallographica Section C","2004","60","11","o830","o832","10.1107/S0108270104023121","","","0.71073","MoKα","","0.0424","0.0337","","","0.0751","0.079","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014572","10.523","0.003","6.0404","0.0015","11.231","0.003","90","","94.478","0.005","90","","711.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R,7S,8S,9S)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[c]pyran- 1-one chloroform solvate","","- C11 H17 Cl3 O4 -","- C11 H17 Cl3 O4 -","- C22 H34 Cl6 O8 -","2","1","SX1145","Khera, Smriti; Carducci, Michael D.; Gu, Jian-Qiao; Timmermann, Barbara N.","(4R,4aR,6S,7S,7aS)-6-Hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[c]pyran-1-one chloroform solvate from Valeriana laxiflora","Acta Crystallographica Section C","2004","60","11","o773","o775","10.1107/S0108270104021511","","","0.71073","MoKα","","0.1205","0.0621","","","0.0899","0.1042","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014578","4.9302","0.0009","10.993","0.002","9.436","0.0016","90","","98.62","0.02","90","","505.63","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aza-2'-deoxy-2'-arabinofluorouridine","2-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione","","- C8 H10 F N3 O5 -","- C8 H10 F N3 O5 -","- C16 H20 F2 N6 O10 -","2","1","SX1151","Seela, Frank; Chittepu, Padmaja; He, Junlin; Eickmeier, Henning","6-Aza-2'-deoxy-2'-arabinofluorouridine, a 2'-deoxyribonucleoside with an N-sugar conformation in the solid state and in solution","Acta Crystallographica Section C","2004","60","12","o884","o886","10.1107/S0108270104023649","","","0.71073","MoKα","","0.0348","0.0338","","","0.0931","0.0943","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014592","11.262","0.002","14.116","0.003","14.226","0.003","90","","107.81","0.03","90","","2153.2","0.8","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-(Z,Z)-cycloocta-1,5- diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C89 H92 B2 Cr2 F8 O9 P4 Rh2 -","2","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(R,R)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(Z,Z)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.044","0.0339","","","0.0705","0.0739","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014605","8.982","0.003","9.844","0.003","12.066","0.004","90","","105.64","0.03","90","","1027.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-amidino-L-methionine monohydrate","","- C6 H15 N3 O3 S -","- C6 H15 N3 O3 S -","- C24 H60 N12 O12 S4 -","4","2","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","N-Amidino-4-hydroxy-L-proline monohydrate and N-amidino-L-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0527","0.0393","","","0.0742","0.0777","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014625","6.7978","0.0007","12.5513","0.0012","8.5306","0.0008","90","","96.529","0.002","90","","723.12","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-fluoroanilinium 5-sulfosalicylate monohydrate","4-fluoroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 F N O7 S -","- C13 H14 F N O7 S -","- C26 H28 F2 N2 O14 S2 -","2","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-X-substituted anilines (X = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0297","0.0283","","","0.0723","0.0732","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014676","15.4015","0.0008","5.524","0.0003","22.1182","0.0011","90","","110.367","0.002","90","","1764.13","0.16","298","2","305","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2',4,4',6,6'-Hexanitroazobenzene (HNAB-III)","bis(2,4,6-trinitrophenyl)diazene","","- C12 H4 N8 O12 -","- C12 H4 N8 O12 -","- C48 H16 N32 O48 -","4","2","GA1037","Mark A. Rodriguez; Charles F. Campana; A. David Rae; Edward Graeber; Bruno Morosin","Form III of 2,2',4,4',6,6'-hexanitroazobenzene (HNAB-III)","Acta Crystallographica Section C","2005","61","3","o127","o130","10.1107/S0108270105000569","","","0.71073","MoKα","","0.0771","0.0377","","","0.0706","0.0856","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014678","7.888","0.0015","14.591","0.003","12.955","0.002","90","","91.799","0.003","90","","1490.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro(η^6^-ethoxyphenyl){(1R,2R)-N-(p-toluenesulfonyl)- 1,2-diphenylethylenediamino}ruthenium(II) methanol solvate","","- C30 H35 Cl N2 O4 Ru S -","- C30 H35 Cl N2 O4 Ru S -","- C60 H70 Cl2 N4 O8 Ru2 S2 -","2","1","GA1080","Soleimannejad, Janet; Adams, Harry; White, Colin","[(1R,2R)-2-Amino-1,2-diphenyl-N-(p-tolylsulfonyl)ethylamido]chloro(η^6^-ethoxybenzene)ruthenium(II) methanol solvate","Acta Crystallographica Section C","2005","61","3","m125","m126","10.1107/S0108270104033815","","","0.71073","MoKα","","0.0553","0.0386","","","0.0773","0.0829","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014688","7.8016","0.0008","7.6538","0.0009","16.5597","0.0017","90","","93.966","0.009","90","","986.44","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium chlorate(VII) monohydrate","","- C21 H25 Cl N2 O7 -","- C21 H25 Cl N2 O7 -","- C42 H50 Cl2 N4 O14 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0733","0.0545","","","0.1318","0.1401","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014689","7.7884","0.0008","7.6686","0.0008","17.578","0.0018","90","","100.388","0.007","90","","1032.66","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium hydrogen sulphate (VI) dihydrate","","- C21 H28 N2 O8 S -","- C21 H28 N2 O8 S -","- C42 H56 N4 O16 S2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.054","0.0466","","","0.1181","0.1257","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014690","7.6407","0.0012","7.6624","0.0009","17.992","0.002","90","","91.203","0.012","90","","1053.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium dihydrogen phosphate(V) dihydrate","","- C21 H29 N2 O8 P -","- C21 H29 N2 O8 P -","- C42 H58 N4 O16 P2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0851","0.0542","","","0.0753","0.0826","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014753","9.204","0.001","10.502","0.001","13.009","0.001","90","","93.061","0.004","90","","1255.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylammonium (2R,3R)(+)-hydrogen tartrate","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C52 H74 N2 O14 -","2","1","SQ1190","Košutić-Hulita, Nada; Miroslav Žegarac","Tolterodinium (+)-(2R,3R)-hydrogen tartrate","Acta Crystallographica Section C","2005","61","3","o171","o173","10.1107/S0108270105001599","","","1.54178","CuKα","","0.0687","0.0564","","","0.1411","0.1477","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014806","8.5791","0.0012","5.7966","0.0003","12.3414","0.0017","90","","111.645","0.01","90","","570.46","0.12","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","2,3-diphenylbuta-1,3-diene","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","FG1830","Lutz, Martin; Spek, Anthony L.; van der Wiel, Bas C.; van Walree, Cornelis A.","Pseudomerohedrally twinned crystal structure of 2,3-diphenylbuta-1,3-diene","Acta Crystallographica Section C","2005","61","5","o300","o302","10.1107/S0108270105008978","","","0.71073","MoKα","","0.0353","0.0314","","","0.0769","0.0802","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014822","8.743","0.002","14.696","0.003","8.565","0.003","90","","93.29","0.02","90","","1098.7","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","cobaloxime","[(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1- phenylethylamine]cobalt(III)","","- C19 H31 Co N6 O5 -","- C19 H31 Co N6 O5 -","- C38 H62 Co2 N12 O10 -","2","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.0318","0.0246","","","0.063","0.0658","","","","","","1.211","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014827","4.9174","0.0003","8.3976","0.0003","13.5487","0.0007","90","","91.208","0.002","90","","559.36","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid","","- C11 H11 F2 N O3 -","- C11 H11 F2 N O3 -","- C22 H22 F4 N2 O6 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-N-phenylacetamide and 2-(2-acetylaminophenyl)-N-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.0425","0.0358","","","0.0828","0.0862","","","","","","1.078","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014887","6.6318","0.0002","7.0944","0.0003","10.426","0.0005","90","","108.234","0.002","90","","465.9","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C20 H16 N4 O8 -","2","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric N-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0348","0.0305","","","0.0748","0.0778","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014901","7.5404","0.0002","6.5754","0.0002","31.4285","0.001","90","","94.6675","0.0015","90","","1553.09","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin- 2-yl)-(S)-glutamato]hexaaquabarium]-μ-N-(4-amino-1,6-dihydro-1-methyl-5- nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]","","- C20 H36 Ba N10 O18 -","- C20 H36 Ba N10 O18 -","- C40 H72 Ba2 N20 O36 -","2","1","SK1826","López Garzón, Rafael; López León, M. Dolores; Low, John N.; Glidewell, Christopher","catena-Poly[[[N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]hexaaquabarium]-μ-N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]: coordination polymer chains linked into a three-dimensional framework by N—H···O and O—H···O hydrogen bonds","Acta Crystallographica Section C","2005","61","5","m224","m227","10.1107/S0108270105008474","","","0.71073","MoKα","","0.0629","0.0417","","","0.0757","0.0826","","","","","","0.999","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2014921","12.7985","0.001","4.0684","0.0003","16.6766","0.0014","90","","95.918","0.004","90","","863.71","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0839","0.0517","","","0.1119","0.1247","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014935","4.7695","0.0002","16.1323","0.0005","8.6789","0.0003","90","","103.636","0.001","90","","648.96","0.04","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trihydrate","2-(2-ammonio-3-methylbutanamido)-3-hydroxypropanoate trihydrate","","- C8 H22 N2 O7 -","- C8 H22 N2 O7 -","- C16 H44 N4 O14 -","2","1","SX1167","Johansen, Arne; Midtkandal, Randi; Roggen, Heidi; Görbitz, Carl Henrik","L-Valyl-L-serine trihydrate","Acta Crystallographica Section C","2005","61","4","o198","o200","10.1107/S0108270105003732","","","0.71073","MoKα","","0.0351","0.0312","","","0.0807","0.083","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014937","8.7097","0.0005","7.245","0.0004","14.5854","0.0008","90","","100.521","0.001","90","","904.89","0.09","117","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Strontium di(hydrogen-L-glutamate) pentahydrate","Strontium di(hydrogen-L-glutamate) pentahydrate","","- C10 H26 N2 O13 Sr -","- C10 H26 N2 O13 Sr -","- C20 H52 N4 O26 Sr2 -","2","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium D-glutamate hexahydrate and strontium di(hydrogen L-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.029","0.0256","","","0.0528","0.0536","","","","","","0.794","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014969","13.08","0.004","8.998","0.003","18.406","0.005","90","","99.37","0.03","90","","2137.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl-(E)- α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","","- C44 H49 N7 O10 -","- C44 H49 N7 O10 -","- C88 H98 N14 O20 -","2","1","DN1081","Makowski, Maciej; Brzuszkiewicz, Anna; Lisowski, Marek; Lis, Tadeusz","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl-(E)-α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","Acta Crystallographica Section C","2005","61","7","o424","o426","10.1107/S0108270105015258","","","1.5418","CuKα","","0.1002","0.0717","","","0.1681","0.1918","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014976","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","Ala-Gly-Ala","L-Alanylglycyl-L-alanine monohydrate","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","FA1135","Förster, Diana; Messerschmidt, Marc; Luger, Peter","L-Alanylglycyl-L-alanine monohydrate at 20K","Acta Crystallographica Section C","2005","61","7","o420","o421","10.1107/S0108270105015015","","","0.71073","MoKα","","0.0276","0.0269","","","0.0706","0.0711","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015025","6.5951","0.0008","13.492","0.0013","7.2032","0.0009","90","","113.084","0.012","90","","589.63","0.13","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2'-Dimethyl-4,5'-dinitro-1H,3'H-1,4'-biimidazole monohydrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C16 H20 N12 O10 -","2","1","HJ1060","Kubicki, Maciej","2,2'-Dimethyl-4,5'-dinitro-1H,3'H-1,4'-biimidazole monohydrate","Acta Crystallographica Section C","2005","61","8","o512","o514","10.1107/S0108270105020913","","","0.71073","MoKα","","0.0617","0.0345","","","0.045","0.0492","","","","","","0.835","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015035","9.447","0.0016","6.6805","0.0009","10.6102","0.0017","90","","98.563","0.009","90","","662.15","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methylsulfanyl-1H- pyrazolo[3,4-d]pyrimidine","","- C11 H15 N5 O3 S -","- C11 H15 N5 O3 S -","- C22 H30 N10 O6 S2 -","2","1","JZ1745","Seela, Frank; Jawalekar, Anup M.; Budow, Simone; Eickmeier, Henning","8-Aza-7-deaza-2'-deoxy-2-(methylsulfanyl)adenosine","Acta Crystallographica Section C","2005","61","9","o562","o564","10.1107/S0108270105024327","","","0.71073","MoKα","","0.0535","0.0507","","","0.1541","0.1625","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015041","3.8671","0.0004","14.8937","0.0017","7.6363","0.0009","90","","93.742","0.002","90","","438.88","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(2,2'-biimidazole-κ^2^N,N')chlorocopper(II)]-μ-chloro]","","- C6 H6 Cl2 Cu N4 -","- C6 H6 Cl2 Cu N4 -","- C12 H12 Cl4 Cu2 N8 -","2","1","RB1010","Mao-Lin Hu; Xiao-Qing Cai; Jiu-Xi Chen","catena-Poly[[(2,2'-biimidazole-κ^2^N,N')chlorocopper(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","9","m403","m405","10.1107/S0108270105022511","","","0.71073","MoKα","","0.057","0.0529","","","0.1015","0.1029","","","","","","1.189","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015049","12.5676","0.0004","7.8818","0.0002","13.511","0.0004","90","","109.633","0.0013","90","","1260.53","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-iodo-N-(2-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","2","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric N-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0263","0.025","","","0.0657","0.0669","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015086","9.0502","0.0012","4.526","0.0003","9.9697","0.0011","90","","98.576","0.004","90","","403.8","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","β-2-aminopyridinium dihydrogenphosphate","","- C5 H9 N2 O4 P -","- C5 H9 N2 O4 P -","- C10 H18 N4 O8 P2 -","2","1","SQ1219","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","A second polymorph of 2-aminopyridinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","9","o565","o567","10.1107/S0108270105024923","","","0.71073","MoKα","","0.1019","0.0602","","","0.1202","0.1374","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015091","7.5036","0.0015","17.219","0.003","9.4799","0.0019","90","","96.905","0.003","90","","1216","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 3,5-dinitrosalicylate","strychninium 3,5-dinitrosalicylate","","- C28 H26 N4 O9 -","- C28 H26 N4 O9 -","- C56 H52 N8 O18 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","0.71073","MoKα","","0.0664","0.0577","","","0.1375","0.1424","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015092","7.5762","0.0009","12.3729","0.0009","20.891","0.004","90","","97.96","0.01","90","","1939.4","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid)","strychninium‒5-nitrosalicylate‒5-nitrosalicylic acid (1/1/2)","","- C42 H37 N5 O17 -","- C42 H37 N5 O17 -","- C84 H74 N10 O34 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","1.5418","CuKα","","0.0635","0.056","","","0.1578","0.1675","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015093","8.4778","0.0015","13.085","0.002","6.7562","0.0011","90","","105.001","0.014","90","","723.9","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,6-diaminopyridinium 5-sulfosalicylate monohydrate","2,6-diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate'","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C24 H30 N6 O14 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.053","0.0335","","","0.096","0.112","","","","","","0.886","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015130","10.3202","0.001","7.4068","0.0008","11.2845","0.0011","90","","105.505","0.005","90","","831.19","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(N,N-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.0775","0.0468","","","0.118","0.1322","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015149","6.1449","0.0011","7.8343","0.001","13.08","0.003","90","","100.25","0.015","90","","619.6","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","endo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The endo and exo isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0468","0.0359","","","0.0731","0.0764","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015155","9.0644","0.0004","10.4661","0.0006","9.7703","0.0005","90","","103.131","0.003","90","","902.66","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-Tetra-O-acetyl-β-D-glucopyranuronic acid monohydrate","","- C14 H20 O12 -","- C14 H20 O12 -","- C28 H40 O24 -","2","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-O-acetyl-β-D-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-O-acetyl-β-D-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0471","0.0376","","","0.0897","0.0938","","","","","","1.087","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015158","14.0121","0.0002","19.6631","0.0003","15.3773","0.0002","90","","110.3","0.0008","90","","3973.63","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hydronium bis[(-)-N-(trans-4-isopropylcyclohexanecarbonyl)-D-phenylalanine] chloride","","- C38 H57 Cl N2 O7 -","- C38 H57 Cl N2 O7 -","- C152 H228 Cl4 N8 O28 -","4","2","GG1291","Limor Tessler; Israel Goldberg","Bis(nateglinide) hydronium chloride, and its unique self-assembly into extended polymeric arrays via O—H···O, N—H···Cl and O—H···Cl hydrogen bonds","Acta Crystallographica Section C","2005","61","12","o738","o740","10.1107/S0108270105037558","","","0.71073","MoKα","","0.0925","0.0553","","","0.1021","0.1151","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015169","9.6992","0.0018","6.4069","0.0012","12.919","0.002","90","","93.974","0.014","90","","800.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","deacetylcephalothin","(6R,7R)-3-hydroxymethyl-8-oxo-7-(2-thiophen-2-ylacetylamino) -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid]","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C28 H28 N4 O10 S4 -","2","1","JZ1751","Zachara, Janusz; Madura, Izabela D.; Zimniak, Andrzej; Oszczapowicz, Irena; Chrobak, Iwona","The hydrogen-bonding network in deacetylcephalothin","Acta Crystallographica Section C","2005","61","11","o625","o627","10.1107/S0108270105029811","","","0.71073","MoKα","","0.0431","0.0376","","","0.0867","0.0901","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015224","11.6191","0.001","6.1749","0.0005","12.0431","0.001","90","","113.394","0.002","90","","793.03","0.12","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4- isopropyloxazolidin-2-one","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","AV1281","Hwang, In-Chul; Jang, Jung Hee; Kim, Taek Hyeon; Ha, Kwang","(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4-isopropyloxazolidin-2-one","Acta Crystallographica Section C","2006","62","4","o196","o198","10.1107/S0108270106004884","","","0.71073","MoKα","","0.1064","0.0404","","","0.0519","0.0614","","","","","","0.817","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015232","5.1924","0.001","7.7339","0.0015","12.492","0.003","90","","94.28","0.03","90","","500.25","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(glycine) lithium molybdate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H10 Li2 Mo N2 O8 -","- C4 H10 Li2 Mo N2 O8 -","- C8 H20 Li4 Mo2 N4 O16 -","2","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0159","0.0157","","","0.0402","0.0404","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015243","11.527","0.002","7.669","0.0013","19.5","0.003","90","","94.832","0.014","90","","1717.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-phthaloyl-β-alaninate 5.67-hydrate","","- C34 H46.34 N3 O13.67 -","- C34 H46.34 N3 O13.67 -","- C68 H92.68 N6 O27.34 -","2","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium N-phthaloyl-β-alaninate N-phthaloyl-β-alanine and brucinium N-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.1504","0.0776","","","0.0935","0.1143","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015252","12.875","0.003","6.153","0.002","18.268","0.004","90","","106.031","0.016","90","","1390.9","0.6","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamolide-3β-ol hemihydrate","3β-Hydroxy-7-drimen-12,11-olide hemihydrate","","- C30 H46 O7 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","2","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from Warburgia ugandensis","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.083","0.049","","","0.1","0.112","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015253","6.802","0.003","7.918","0.004","14.302","0.008","90","","101.22","0.02","90","","755.6","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","cinnamolide-3β-ol-acetate","3β-Acetoxy-7-drimen-12,11-olide","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from Warburgia ugandensis","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.109","0.051","","","0.09","0.108","","","","","","0.982","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015260","5.7355","0.0006","9.8374","0.0013","10.9428","0.0013","90","","97.856","0.009","90","","611.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-fluoro- 7H-pyrrolo[2,3-d]pyrimidine","","- C11 H12 F2 N4 O3 -","- C11 H12 F2 N4 O3 -","- C22 H24 F4 N8 O6 -","2","1","JZ3003","Seela, Frank; Chittepu, Padmaja; Eickmeier, Henning","4-Amino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine: a bis-fluorinated analogue of 2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","4","o231","o233","10.1107/S0108270106007633","","","0.71073","MoKα","","0.0458","0.0385","","","0.0969","0.1015","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015271","6.4358","0.0005","16.104","0.0013","8.3646","0.0007","90","","107.696","0.001","90","","825.9","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Strontium diascorbate dihydrate","catena-Poly[[diaqua(ascorbato)strontium(II)]-μ-ascorbato]","","- C12 H18 O14 Sr -","- C12 H18 O14 Sr -","- C24 H36 O28 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0276","0.0253","","","0.0565","0.0573","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015301","9.675","0.005","10.401","0.006","11.063","0.007","90","","110.86","0.03","90","","1040.3","1.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","18-deoxy-13β,14-dihydrolycoctam","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","FG3014","Benn, Michael; Parvez, Masood; Edwards, Oliver Edward","18-Deoxy-13β,14-dihydrolycoctam: the lycoctamone rearrangement confirmed","Acta Crystallographica Section C","2006","62","5","o283","o285","10.1107/S0108270106011620","","","0.71073","MoKα","","0.123","0.051","","","0.099","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015317","5.185","0.001","16.668","0.003","10.458","0.002","90","","101.9","0.03","90","","884.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[4-(Aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)","","- C14 H19 N5 O9 -","- C14 H19 N5 O9 -","- C28 H38 N10 O18 -","2","1","KP2003","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","L-Argininamidium bis(hydrogensquarate)","Acta Crystallographica Section C","2006","62","5","o299","o300","10.1107/S0108270106012108","","","0.71073","MoKα","","0.074","0.0446","","","0.0911","0.0993","","","","","","1.008","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015318","10.338","0.002","12.012","0.002","12.065","0.002","90","","93.39","0.03","90","","1495.6","0.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","bis[3,6,9-trimethyl- 3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12H- pyrano[4,3-j][1,2]benzodioxepin-10-yl] ether","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","LN1194","Yue, Zheng-Yu; Li, Shu-Hui; Gao, Po; Zhang, Jin-Hui; Yan, Peng-Fei","A dimer of α- and β-dihydroartemisinin: bis(3,6,9-trimethyl-3,12-epidioxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12H-pyrano[4,3-j][1,2]benzodioxepin-10-yl) ether","Acta Crystallographica Section C","2006","62","5","o281","o282","10.1107/S0108270106009048","","","0.71073","MoKα","","0.0675","0.0582","","","0.1493","0.1557","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015328","7.4885","0.0007","9.5175","0.0008","16.8193","0.0013","90","","91.067","0.007","90","","1198.53","0.18","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4S,SFc)-4-(methoxymethyl)-2-[(2-dibenzo-1-thio-1H-1λ^5^- phosphol-1-yl)ferrocenyl]-1,3-dioxane","","- C28 H27 Fe O3 P S -","- C28 H27 Fe O3 P S -","- C56 H54 Fe2 O6 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0299","0.0273","","","0.0652","0.0664","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015329","7.111","0.0013","12.862","0.003","10.223","0.002","90","","96.73","0.02","90","","928.6","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(SFc)-[2-(2-dibenzo-1-thio-1H-1λ^5^-phosphol-1-yl)ferrocenyl]methanol","","- C23 H19 Fe O P S -","- C23 H19 Fe O P S -","- C46 H38 Fe2 O2 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0288","0.0256","","","0.0596","0.0608","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015331","11.735","0.003","9.263","0.003","15.34","0.002","90","","106.18","0.03","90","","1601.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(o-Carboxybenzoyl)-L-leucine methyl ester","2-{[(1S)-1-(methoxycarbonyl)-3-methylbutyl]aminocarbonyl}benzoic acid","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","2","SQ1242","Onofrio, Alvaro B.; Jäger, Eliezer; Brandão, Tiago A. S.; Bortoluzzi, Adailton J.; Nome, Faruk","N-(2-Carboxybenzoyl)-L-leucine methyl ester","Acta Crystallographica Section C","2006","62","5","o237","o239","10.1107/S0108270106006767","","","0.71073","MoKα","","0.1545","0.0603","","","0.1558","0.1923","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015337","5.0977","0.001","11.444","0.002","12.183","0.002","90","","95.58","0.03","90","","707.4","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[tetraaquamanganese(II)]-μ-4- (carboxylatomethylsulfanyl)phenoxyacetato]","","- C10 H16 Mn O9 S -","- C10 H16 Mn O9 S -","- C20 H32 Mn2 O18 S2 -","2","1","TY1014","Hong Su; Yun-Long Feng; Yi-Hang Wen","catena-Poly[[tetraaquamanganese(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]","Acta Crystallographica Section C","2006","62","5","m208","m210","10.1107/S010827010601184X","","","0.71073","MoKα","","0.0271","0.025","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015344","8.353","0.003","12.357","0.004","12.934","0.004","90","","103.916","0.005","90","","1295.8","0.7","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","triacetato-1κO,3κ^4^O,O'-(2,2'-iminodiethanol)-1κ^2^O,O'-bis(2,2'- iminodiethanolato)-1κ^2^O:2κ^6^O,N,O':3κ^2^O'-cobalt(III)copper(II)zinc(II)","","- C18 H38 Co Cu N3 O12 Zn -","- C18 H38 Co Cu N3 O12 Zn -","- C36 H76 Co2 Cu2 N6 O24 Zn2 -","2","1","BG1028","Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Skelton, Brian W.","A heterotrimetallic Cu‒Co‒Zn complex with the 2,2'-iminodiethanol ligand","Acta Crystallographica Section C","2006","62","6","m246","m248","10.1107/S010827010601523X","","","0.71073","MoKα","","0.09","0.065","","0.118","","0.092","","","1.331","","","1.178","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015366","10.9366","0.0001","8.0785","0.0001","22.0995","0.0002","90","","103.324","0.001","90","","1899.96","0.03","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-di-O-p-toluoyltartrate methanol disolvate monohydrate","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate methanol disolvate monohydrate","","- C38 H50 N2 O11 -","- C38 H50 N2 O11 -","- C76 H100 N4 O22 -","2","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-p-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0381","0.0361","","","0.0938","0.0952","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015380","9.8152","0.0004","22.6374","0.0009","10.0469","0.0004","90","","90.449","0.002","90","","2232.26","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound IV","(2Z)-2-buten-2-yl-6-isobutyl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","2","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0418","0.0347","","","0.0896","0.0946","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015385","6.9336","0.0012","11.998","0.002","9.4691","0.0016","90","","107.365","0.002","90","","751.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Desloratadine","8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C38 H38 Cl2 N4 -","2","1","SK3005","Prashant M. Bhatt; Gautam R. Desiraju","Form I of desloratadine, a tricyclic antihistamine","Acta Crystallographica Section C","2006","62","6","o362","o363","10.1107/S0108270106012571","","","0.71073","MoKα","","0.0334","0.032","","","0.0744","0.0754","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015425","10.611","0.003","7.931","0.003","12.585","0.003","90","","96.89","0.03","90","","1051.5","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylammonium guanosine cyclic 2',3'-phosphate monohydrate","triethylammonium 4-(6-oxo-1,6-dihydropurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole monohydrate","","- C16 H29 N6 O8 P -","- C16 H29 N6 O8 P -","- C32 H58 N12 O16 P2 -","2","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","0.71073","MoKα","","0.0626","0.0424","","","0.0738","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015475","8.121","0.003","9.299","0.004","12.532","0.005","90","","91.21","0.02","90","","946.2","0.7","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","","- C15 H26.26 N3 O7.63 -","- C15 H26.256 N3 O7.628 -","- C30 H52.512 N6 O15.256 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of L-alanyl-L-tyrosyl-L-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.5","synchrotron","","0.0249","0.0244","","","0.0673","0.0675","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015476","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of L-alanyl-L-tyrosyl-L-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.71073","MoKα","","0.0297","0.029","","","0.0769","0.0773","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015480","10.375","0.001","10.532","0.001","10.893","0.001","90","","103.61","0.001","90","","1156.85","0.19","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-[Aqua-chloro-(1R,4R,8S,11S-trans-6,13-diazonium-6,13-dimethyl- 1,4,8,11-tetraazacyclortetradecane-κ^4^ N^1,4,8,11^)nickel(II)] trichloride trihydrate","","- C12 H40 Cl4 N6 Ni O4 -","- C12 H40 Cl4 N6 Ni O4 -","- C24 H80 Cl8 N12 Ni2 O8 -","2","1","GA3002","Neil F. Curtis; Rebekah Pawley; Ward T. Robinson","trans-Aquachloro[(1R,4R,8S,11S)-6,13-diammonio-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N^1,4,8,11^]nickel(II) trichloride trihydrate","Acta Crystallographica Section C","2006","62","8","m352","m354","10.1107/S0108270106010407","","","0.71073","MoKα","","0.0167","0.0164","","","0.0392","0.0395","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015507","6.828","0.002","20.929","0.006","15.357","0.005","90","","92.007","0.005","90","","2193.2","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","Moxifloxacin hydrochloride","7-[(S,S)-8-azonia-2-azabicylo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy- 4-oxo-1,4-dihydro-3-quinoline-3-carboxylic acid chloride‒water‒methanol (2/1/1)","","- C21.5 H28 Cl F N3 O5 -","- C21.5 H28 Cl F N3 O5 -","- C86 H112 Cl4 F4 N12 O20 -","4","2","LN3009","Krishnan Ravikumar; Balasubramanian Sridhar","Moxifloxacinium chloride‒water‒methanol (2/1/1), a novel antibacterial agent","Acta Crystallographica Section C","2006","62","8","o478","o482","10.1107/S0108270106022256","","","0.71073","MoKα","","0.0832","0.0488","","","0.0905","0.1043","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015542","10.909","0.004","5.352","0.003","12.474","0.005","90","","109.142","0.005","90","","688","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium picrate","L-prolinium picrate","","- C11 H12 N4 O9 -","- C11 H12 N4 O9 -","- C22 H24 N8 O18 -","2","1","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","L-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0843","0.0577","","","0.1514","0.1689","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015554","10.557","0.004","7.682","0.002","14.376","0.008","90","","98.47","0.04","90","","1153.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","strychninium 4-chlorobenzoate","","- C28 H27 Cl N2 O4 -","- C28 H27 Cl N2 O4 -","- C56 H54 Cl2 N4 O8 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0533","0.0397","","","0.0813","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015555","10.976","0.002","7.545","0.001","14.187","0.002","90","","98.29","0.03","90","","1162.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium 4-nitrobenzoate","","- C28 H27 N3 O6 -","- C28 H27 N3 O6 -","- C56 H54 N6 O12 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0322","0.0305","","","0.0778","0.0788","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015564","8.922","0.002","15.208","0.003","18.692","0.004","90","","91.523","0.003","90","","2535.3","0.9","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","pog","benzyl N-{2-[N-(tert-butoxycarbonyl)prolyl]-4-hydroxyprolyl}glycinate","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0704","0.0564","","","0.1497","0.1621","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015613","5.9765","0.0012","7.9484","0.0016","18.13","0.004","90","","96.439","0.004","90","","855.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,R~S~)-6-Phenyl-1-(p-tolylsulfinyl)hexa-3(E),5(E)-dien-2-ol","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C38 H40 O4 S2 -","2","1","GG3043","Oscar Donoso-Tauda; Carlos A. Escobar; Ramiro Araya-Maturana; Andrés Vega","(2S,R~S~)-6-Phenyl-1-(p-tolylsulfinyl)hexa-3(E),5(E)-dien-2-ol","Acta Crystallographica Section C","2006","62","10","o631","o632","10.1107/S0108270106036171","","","0.71073","MoKα","","0.0848","0.0627","","","0.105","0.1134","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015614","11.039","0.002","13.995","0.003","17.371","0.003","90","","99.04","0.03","90","","2650.3","0.9","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-amino-4,6-dimethylpyrimidinium salicylate","2-amino-4,6-dimethylpyrimidinium salicylate","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","4","GZ3021","Packianathan Thomas Muthiah; Kasthuri Balasubramani; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding and π‒π interactions in 2-amino-4,6-dimethylpyrimidinium salicylate","Acta Crystallographica Section C","2006","62","10","o605","o607","10.1107/S0108270106031015","","","0.71073","MoKα","","0.1477","0.0453","","","0.0594","0.0819","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015621","7.505","0.0015","5.8492","0.001","19.381","0.004","90","","100.289","0.01","90","","837.1","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cyclodecyl 4-nitrophenylacetate","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","SK3048","Brown, Judge; Pawar, Diwakar M.; Fronczek, Frank R.; Noe, Eric A.","Cyclodecyl 4-nitrophenylacetate","Acta Crystallographica Section C","2006","62","10","o628","o630","10.1107/S0108270106035049","","","0.71073","MoKα","","0.049","0.038","","","0.081","0.087","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015635","5.4154","0.0005","9.8941","0.0008","11.4431","0.0012","90","","94.97","0.014","90","","610.82","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-(1,3-Anhydro-β-D-psicofuranosyl)adenine","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C22 H26 N10 O8 -","2","1","FA3039","Roivainen, Jarkko; Reuter, Hans; Mikhailopulo, Igor A.; Eickmeier, Henning","9-(1,3-Anhydro-β-D-psicofuranosyl)adenine","Acta Crystallographica Section C","2006","62","11","o659","o660","10.1107/S0108270106037759","","","0.71073","MoKα","","0.0481","0.0413","","","0.1032","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015692","5.8327","0.0002","7.0099","0.0009","17.8751","0.0004","90","","94.59","0.1","90","","728.51","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒4-nitrophenol (1/1)","(2S)-2-ammonio-3-phenylpropanoate‒4-nitrophenol (1/1)","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","GD3062","Rodrigues, V. H.; Costa, M. M. R. R.; Matos Gomes, E. de; Nogueira, E.; Belslsey, M. S","L-Phenylalanine‒4-nitrophenol (1/1)","Acta Crystallographica Section C","2006","62","12","o699","o701","10.1107/S0108270106049018","","","1.54184","CuKα","","0.0486","0.0423","","","0.1226","0.1397","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015714","14.788","0.003","8.7717","0.0013","17.5559","0.0019","90","","114.833","","90","","2066.7","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","MU0107","Stavropoulos, G.; Papaioannou, D.; Karagiannis, K.; Vlassi, M.; Nastopoulos, V.","Structure of cis-4-hydroxy-N-triphenylmethyl-L-proline methyl ester","Acta Crystallographica Section C","1990","46","8","1461","1464","10.1107/S0108270189012084","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2015715","10.6001","0.0007","6.1847","0.0001","16.9227","0.0004","90","","98.04","0.003","90","","1098.52","0.08","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 F N2 O4 -","- C10 H13 F N2 O4 -","- C40 H52 F4 N8 O16 -","4","2","GE0136","Everaert, D. H.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.; Van Aerschot, A.; Herdewijn, P.","Structure of a nucleoside analogue, 3'-deoxy-2'-fluorothymidine","Acta Crystallographica Section C","1990","46","10","1934","1936","10.1107/S0108270190004152","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2015716","6.494","0.002","7.821","0.002","5.345","0.002","90","","114.31","0.02","90","","247.4","0.14","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C4 H5 N3 -","- C4 H5 N3 -","- C8 H10 N6 -","2","1","AS0365","Kaida, S.; Minemoto, H.; Shimizu, T.; Sonoda, N.; Miki, K.; Kasai, N.","Structure of iminodiacetonitrile","Acta Crystallographica Section C","1990","46","11","2269","2270","10.1107/S0108270190005248","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2015728","12.4268","0.0002","3.796","0.0001","16.9218","0.0003","90","","107.812","0.001","90","","759.97","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","phenazine‒chloranilic acid (1/1)","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","BM3017","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in two solid phases of phenazine‒chloranilic acid (1/1) determined at 170 and 93 K","Acta Crystallographica Section C","2007","63","1","o17","o20","10.1107/S0108270106049468","","","0.71075","MoKα","","0.0443","0.0339","","","0.0911","0.0965","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015729","12.432","0.0003","3.7702","0.0001","16.8848","0.0004","90","","107.778","0.001","90","","753.62","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","phenazinium chloranilate","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","BM3017","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in two solid phases of phenazine‒chloranilic acid (1/1) determined at 170 and 93 K","Acta Crystallographica Section C","2007","63","1","o17","o20","10.1107/S0108270106049468","","","0.71075","MoKα","","0.0427","0.0323","","","0.0841","0.0885","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015791","9.83","0.002","12.364","0.003","11.56","0.003","90","","103.09","0.03","90","","1368.5","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium 4-nitrobenzoate methanol solvate","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.0704","0.0551","","","0.121","0.1303","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015792","10.085","0.002","12.338","0.003","11.615","0.003","90","","108.61","0.03","90","","1369.7","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium 4-nitrobenzoate dihydrate","","- C30 H35 N3 O10 -","- C30 H35 N3 O10 -","- C60 H70 N6 O20 -","2","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.0327","0.03","","","0.0766","0.0781","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015794","5.64","0.001","8.768","0.002","10.704","0.002","90","","92.49","0.03","90","","528.83","0.18","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-leucine perchlorate","L-Leucinium perchlorate","","- C6 H14 Cl N O6 -","- C6 H14 Cl N O6 -","- C12 H28 Cl2 N2 O12 -","2","1","GD3071","Jan Janczak; Genivaldo Julio Perpétuo","L-Leucinium perchlorate","Acta Crystallographica Section C","2007","63","2","o117","o119","10.1107/S0108270106055156","","","0.71073","MoKα","","0.057","0.0422","","","0.098","0.1068","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015795","7.9355","0.0003","24.7376","0.0009","11.1332","0.0005","90","","106.589","0.002","90","","2094.54","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-3-[5-cyano-2-(4-fluorophenyl)-1,3-dihydroisobenzofuran-2- yl]propanaminium oxalate oxalic acid 0.325-hydrate","","- C44 H46 F2 N4 O10.325 -","- C44 H46 F2 N4 O10.325 -","- C88 H92 F4 N8 O20.65 -","2","1","GD3075","Harrison, William T. A.; Yathirajan, H. S.; Bindya, S.; Anilkumar, H. G.; Devaraju","Escitalopram oxalate: co-existence of oxalate dianions and oxalic acid molecules in the same crystal","Acta Crystallographica Section C","2007","63","2","o129","o131","10.1107/S010827010605520X","","","0.71073","MoKα","","0.0751","0.0422","","","0.0825","0.0949","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015804","8.5473","0.001","6.2423","0.0007","9.1325","0.0011","90","","114.701","0.004","90","","442.68","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-Erythrocytidine","1-(β-D-Erythrofuranosyl)cytidine","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","GZ3050","Kline, Paul C.; Noll, Bruce C.; Zhao, Hongqiu; Serianni, Anthony S.","1-(β-D-Erythrofuranosyl)cytidine (β-erythrocytidine)","Acta Crystallographica Section C","2007","63","2","o137","o140","10.1107/S0108270106055053","","","1.54178","CuKα","","0.029","0.0278","","","0.0709","0.0756","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015865","12.91","0.003","7.077","0.004","14.001","0.003","90","","111.67","0.03","90","","1188.8","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S)-Benzyl N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)carbamate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","2","GZ3069","Stefanowicz, Piotr; Jaremko, Mariusz; Jaremko, Łukasz; Kochel, Andrzej","(3S)-Benzyl N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)carbamate: two-dimensional sheets built from O—H···O, N—H···O, C=O···C=O and C—H···O interactions linked into a three-dimensional complex framework via C—H···π(arene) interactions","Acta Crystallographica Section C","2007","63","3","o204","o206","10.1107/S0108270107006646","","","0.71073","MoKα","","0.054","0.0397","","","0.0786","0.0832","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015905","11.483","0.004","7.612","0.003","16.903","0.006","90","","95.79","0.03","90","","1469.9","0.9","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","α-epoxide","3β-acetoxy-9α,11-epoxy-5α-lanost-9(11)-en-7-one","","- C32 H52 O4 -","- C32 H52 O4 -","- C64 H104 O8 -","2","1","GG3071","Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław","The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one","Acta Crystallographica Section C","2007","63","4","o249","o251","10.1107/S0108270107009754","","","0.71073","MoKα","","0.049","0.039","","","0.092","0.098","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015906","13.356","0.006","6.233","0.013","18.104","0.016","90","","92.14","0.07","90","","1506","3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","β-epoxide","3β-acetoxy-9β,11-epoxy-5α-lanost-9(11)-en-7-one","","- C32 H52 O4 -","- C32 H52 O4 -","- C64 H104 O8 -","2","1","GG3071","Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław","The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one","Acta Crystallographica Section C","2007","63","4","o249","o251","10.1107/S0108270107009754","","","0.71073","MoKα","","0.087","0.056","","","0.135","0.154","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015936","6.6409","0.0003","12.9466","0.0001","13.1274","0.0008","90","","94.2","0.016","90","","1125.62","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-bis[(E)-4-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","","- C27 H23 Cl2 N O -","- C27 H23 Cl2 N O -","- C54 H46 Cl4 N2 O2 -","2","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(R)-3,5-Bis[(E)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(E)-4-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one and 3,5-bis[(E)-2-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0598","0.049","","","0.1296","0.1392","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015941","9.8171","0.0006","10.4167","0.0011","10.1713","0.0012","90","","112.078","0.009","90","","963.87","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminobenzoic acid bis(L-proline)","4-Aminobenzoic acid‒L-proline (1/2) monohydrate","","- C17 H27 N3 O7 -","- C17 H27 N3 O7 -","- C34 H54 N6 O14 -","2","1","FA3080","S. Athimoolam; S. Natarajan","Hydrogen-bonding features in the 1:2 adduct of 4-aminobenzoic acid and L-proline","Acta Crystallographica Section C","2007","63","5","o283","o286","10.1107/S0108270107013832","","","0.71073","MoKα","","0.0522","0.044","","","0.109","0.1149","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015963","7.3245","0.0002","15.8349","0.0006","8.9264","0.0003","90","","105.251","0.002","90","","998.85","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-amino-4,6-dimethoxypyrimidinium hydrogen L-tartrate 2-amino-4,6-dimethoxypyrimidine","","- C16 H24 N6 O10 -","- C16 H24 N6 O10 -","- C32 H48 N12 O20 -","2","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2R,3R)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.0564","0.0491","","","0.1056","0.1103","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015971","5.1135","0.0002","6.9059","0.0003","7.5925","0.0003","90","","100.662","0.004","90","","263.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Aspartic acid","L-Aspartic acid","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","AV3087","Bendeif, El-eulmi; Jelsch, Christian","The experimental library multipolar atom model refinement of L-aspartic acid","Acta Crystallographica, Section C","2007","63","6","o361","o364","10.1107/S0108270107021671","","","0.71073","MoKα","","0.0451","0.0428","","","0.0402","0.019","","","","","","1.467","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015972","5.1135","0.0002","6.9059","0.0003","7.5925","0.0003","90","","100.662","0.004","90","","263.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Aspartic acid","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","AV3087","Bendeif, El-eulmi; Jelsch, Christian","The experimental library multipolar atom model refinement of L-aspartic acid","Acta Crystallographica, Section C","2007","63","6","o361","o364","10.1107/S0108270107021671","","","0.71073","MoKα","","0.0532","0.0553","","","0.0522","0.0255","","","","","","1.883","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016001","6.126","0.002","8.941","0.006","12.02","0.004","90","","99.68","0.03","90","","649","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","LN3052","Tatiana N. Drebushchak; Nikita V. Chukanov; Elena V. Boldyreva","A new γ-polymorph of chlorpropamide: 4-chloro-N-(propylaminocarbonyl)benzenesulfonamide","Acta Crystallographica Section C","2007","63","6","o355","o357","10.1107/S010827010701952X","","","0.71073","MoKα","","0.1631","0.0753","","","0.1267","0.1631","","","","","","1.174","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016028","9.3231","0.0017","26.611","0.006","18.218","0.004","90","","91.596","0.007","90","","4518.1","1.6","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[1L-3,4-Bis(O-diphenylphosphino)-1,2,5,6-tetra-O-methyl-chiro-inositol- κ^2^P,P'][η^4^-(Z,Z)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate chloroform solvate","","- C43 H51 B Cl3 F4 O6 P2 Rh -","- C43 H51 B Cl3 F4 O6 P2 Rh -","- C172 H204 B4 Cl12 F16 O24 P8 Rh4 -","4","2","FA3095","Gainsford, Graeme J.; Lensink, Cees; Falshaw, Andrew F.","[1L-3,4-Bis-O-(diphenylphosphino)-1,2,5,6-tetra-O-methyl-chiro-inositol-κ^2^P,P'][η^4^-(Z,Z)-cycloocta-1,5-diene]rhodium(I) tetrafluoridoborate chloroform solvate","Acta Crystallographica Section C","2007","63","7","m331","m334","10.1107/S0108270107026170","","","0.71073","MoKα","","0.0769","0.0635","","","0.1419","0.1502","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016050","13.507","0.008","5.133","0.003","14.644","0.008","90","","112.336","0.009","90","","939.1","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,7,9,10,17,18,20,21-octahydro-16H,22H-5,8,11,19-tetraoxa-16,22- diazadibenzo[a,j]cyclooctadecene 0.3-hydrate","","- C20 H26.608 N2 O4.304 -","- C20 H26.608 N2 O4.304 -","- C40 H53.216 N4 O8.608 -","2","1","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.1141","0.0532","","","0.0804","0.0954","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016063","8.7618","0.0013","19.506","0.003","12.1767","0.0018","90","","91.399","0.002","90","","2080.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-{3-[2-(dimethylamino)ethyl]-1H-indol-5- ylmethyl}oxazolidin-2-one phenol solvate","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","2","SF3041","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Harihara Krishnan","The 1:1 inclusion compounds zolmitriptan‒benzene and zolmitriptan‒phenol","Acta Crystallographica Section C","2007","63","7","o437","o440","10.1107/S0108270107026790","","","0.71073","MoKα","","0.0505","0.0472","","","0.1332","0.1366","","","","","","1.187","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016092","15.178","0.002","7.4496","0.0012","19.751","0.003","90","","112.397","0.003","90","","2064.8","0.5","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine‒water (1/2)","2,3-dimethoxystrychnidin-10-one‒water (1/2)","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","2","GA3057","Graham Smith; Urs D. Wermuth; Jonathan M. White","Pseudopolymorphism in brucine: brucine‒water (1/2), the third crystal hydrate of brucine","Acta Crystallographica Section C","2007","63","8","o489","o492","10.1107/S0108270107032295","","","0.71073","MoKα","","0.0606","0.048","","","0.0855","0.0898","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016096","7.6187","0.001","10.8231","0.0016","8.6293","0.0012","90","","101.23","0.006","90","","697.93","0.17","143","2","143","2","","","","","","","","2","P 1 21 1","P 2yb","4","","4,15-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0384","0.036","","","0.096","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016105","6.229","0.002","6.244","0.003","14.475","0.003","90","","99.05","0.03","90","","556","0.3","293","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-5-benzylhydantoin monohydrate","(S)-5-Benzylimidazolidine-2,4-dione monohydrate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C20 H24 N4 O6 -","2","1","SK3128","Delgado, Gerzon E.; Mora, Asiloé J.; Uzcátegui, Jorge; Bahsas, Ali; Briceño, Alexander","(S)-5-Benzylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section C","2007","63","8","o448","o450","10.1107/S0108270107028090","","","0.71069","MoKα","","0.0526","0.0466","","","0.1346","0.1408","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016126","6.021","0.004","28.789","0.011","7.426","0.005","90","","107.89","0.04","90","","1225","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","p-carboxylphenylammonium (2R,3R)-tartrate","4-Carboxyanilinium (2R,3R)-tartrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","2","AV3090","S. Athimoolam; S. Natarajan","4-Carboxyanilinium (2R,3R)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2007","63","9","o514","o517","10.1107/S0108270107022469","","","0.71073","MoKα","","0.0699","0.0391","","","0.0855","0.1059","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016242","8.6278","0.0002","6.6525","0.0002","11.3284","0.0003","90","","111.658","0.001","90","","604.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1-chloro-2-methylpropenyl)-8-nitroquinoline","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","FA3106","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Quinoline derivatives: potential antiparasitic and antiviral agents","Acta Crystallographica Section C","2007","63","11","o643","o645","10.1107/S0108270107046550","","","0.71073","MoKα","","0.035","0.0287","","","0.078","0.0823","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016302","10.885","0.007","7.247","0.004","14.885","0.007","90","","100.913","0.008","90","","1152.9","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(4-methoxybenzenethiolato-κS)oxido[2,2'-(3- phenylpropylimino)bis(ethanethiolato)-κ^3^S,N,S']technetium(V)","","- C21 H28 N O2 S3 Tc -","- C21 H28 N O2 S3 Tc -","- C42 H56 N2 O4 S6 Tc2 -","2","1","BG3060","Franziska Emmerling; Werner Kraus; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch","Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)oxidotechnate(V)","Acta Crystallographica Section C","2007","63","12","m579","m582","10.1107/S0108270107052870","","","0.71073","MoKα","","0.089","0.0648","","","0.1343","0.1435","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016319","5.9774","0.0014","10.484","0.003","16.896","0.004","90","","90.762","0.004","90","","1058.7","0.5","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S)-5-(3-fluoro-4-phenoxyphenyl)-1,3-biphenyl-4,5-dihydro-1H-pyrazole","","- C27 H21 F N2 O -","- C27 H21 F N2 O -","- C54 H42 F2 N4 O2 -","2","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKa","","0.0468","0.0382","","","0.0842","0.0874","","","","","","1.263","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016403","9.632","0.0019","7.0446","0.0014","11.093","0.002","90","","105.82","0.03","90","","724.2","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","R enantiomer","(R)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C26 H42 Cl2 N4 O4 -","2","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.7977","synchrotron","","0.0873","0.056","","","0.1149","0.1298","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016404","9.6425","0.0014","7.0517","0.001","11.0895","0.0016","90","","105.796","0.002","90","","725.57","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","S enantiomer","(S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C26 H42 Cl2 N4 O4 -","2","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.7977","synchrotron","","0.0818","0.0539","","","0.1085","0.1219","","","","","","0.978","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016413","8.9333","0.0004","12.1598","0.0004","14.0088","0.0006","90","","103.678","0.004","90","","1478.58","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate","dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate","","- C29 H32 Cl4 P2 Pd -","- C29 H32 Cl4 P2 Pd -","- C58 H64 Cl8 P4 Pd2 -","2","1","SQ3103","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand","Acta Crystallographica Section C","2008","64","1","m43","m45","10.1107/S0108270107049347","","","0.71073","MoKα","","0.072","0.0512","","","0.1244","0.1427","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016414","8.963","0.003","12.139","0.005","13.989","0.006","90","","103.87","0.03","90","","1477.7","1","180","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate","dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate","","- C29 H32 Cl4 P2 Pd -","- C29 H32 Cl4 P2 Pd -","- C58 H64 Cl8 P4 Pd2 -","2","1","SQ3103","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand","Acta Crystallographica Section C","2008","64","1","m43","m45","10.1107/S0108270107049347","","","0.71073","MoKα","","0.1593","0.0799","","","0.176","0.2256","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016438","8.7305","0.0003","30.0213","0.0005","9.0447","0.0002","90","","118.102","0.004","90","","2091.15","0.12","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","aquabis[N-(4,4-diphenyl-5-oxo-4,5-dihydro-1H-imidazol-2- yl)glycinato]copper(II) dimethylformamide disolvate","","- C40 H44 Cu N8 O9 -","- C40 H44 Cu N8 O9 -","- C80 H88 Cu2 N16 O18 -","2","1","HJ3059","Sieroń, Lesław; Kieć-Kononowicz, Katarzyna; Karolak-Wojciechowska, Janina","Four- and five-coordinate copper(II) complexes with N-(4,4-diphenyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)glycine","Acta Crystallographica Section C","2008","64","2","m79","m82","10.1107/S0108270107055965","","","0.71073","MoKα","","0.031","0.0259","","","0.0637","0.0662","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016448","7.166","0.002","6.3924","0.0016","18.518","0.004","90","","96.876","0.012","90","","842.2","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-O-β-L-fucopyranosyl α-D-glucopyranoside monohydrate","","- C13 H26 O11 -","- C13 H26 O11 -","- C26 H52 O22 -","2","1","SF3069","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Methyl 2-O-β-L-fucopyranosyl α-D-glucopyranoside monohydrate: a synchrotron study","Acta Crystallographica Section C","2008","64","2","o31","o32","10.1107/S0108270107059756","","","0.872","synchrotron","","0.0455","0.045","","","0.1197","0.1201","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016457","6.3201","0.0007","5.2972","0.0008","19.429","0.002","90","","95.084","0.009","90","","647.9","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-propyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5,6-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","SK3197","Sugiono, Erli; Bolte, Michael","Two polymorphs of 4-propyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5,6-dione","Acta Crystallographica Section C","2008","64","2","o84","o86","10.1107/S0108270108001170","","","0.71073","MoKα","","0.0595","0.0405","","","0.0818","0.0871","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016492","6.5613","0.0005","9.1474","0.0007","12.5052","0.0009","90","","101.973","0.001","90","","734.22","0.1","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Tryptophanyl-L-serine monohydrate","","- C14 H19 N3 O5 -","- C14 H19 N3 O5 -","- C28 H38 N6 O10 -","2","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides L-seryl-L-asparagine, L-seryl-L-tyrosine, L-tryptophanyl-L-serine and L-tyrosyl-L-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0449","0.0363","","","0.0844","0.0908","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016493","5.7309","0.0003","8.196","0.0004","19.0952","0.0009","90","","91.694","0.001","90","","896.52","0.08","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-tyrosyl-L-tryptophane monohydrate","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C40 H46 N6 O10 -","2","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides L-seryl-L-asparagine, L-seryl-L-tyrosine, L-tryptophanyl-L-serine and L-tyrosyl-L-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0346","0.0306","","","0.0772","0.0798","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016536","5.9234","0.0002","13.0938","0.0004","13.6623","0.0004","90","","91.5347","0.0016","90","","1059.27","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-(2H-indazol-2-yl)androsta-5,16-dien-3β-ol","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C52 H64 N4 O2 -","2","1","DN3083","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","1H-Indazole and 2H-indazole derivatives of androsta-5,16-dien-3β-ol","Acta Crystallographica Section C","2008","64","4","o217","o219","10.1107/S0108270108005842","","","0.71073","MoKα","","0.0507","0.0382","","","0.1044","0.1201","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016556","5.9271","0.0017","16.398","0.005","17.864","0.005","90","","98.468","0.004","90","","1717.3","0.9","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-(4-chlorophenyl)-1-[(4-chlorophenylanilino)methyl]-1,3,5-triazinane-2-thione","","- C32 H32 Cl4 N8 S2 -","- C32 H32 Cl4 N8 S2 -","- C64 H64 Cl8 N16 S4 -","2","1","HJ3065","Zhang, Zhenfeng; Xian, Dong; Li, Jianping; Zhang, Guisheng","Hydrogen-bonded chains of rings in 1-(4-chloroanilinomethyl)-5-(4-chlorophenyl)-1,3,5-triazinane-2-thione and hydrogen-bonded sheets in 1-anilinomethyl-5-phenyl-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2008","64","4","o191","o194","10.1107/S0108270108002096","","","0.71073","MoKα","","0.1016","0.0614","","","0.1396","0.1651","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016575","7.9484","0.0007","13.6135","0.0011","9.5596","0.0008","90","","93.026","0.003","90","","1032.96","0.15","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","{η^6^-1-methyl-4-{spiro[(1R,2S)-1,7,7- trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2- yloxy}benzene}tricarbonylchromium","","- C22 H26 Cr O6 -","- C22 H26 Cr O6 -","- C44 H52 Cr2 O12 -","2","1","TR3032","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, Nathalie M.; Pinkerton, A. Alan","1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(η^6^-1-methyl-4-{spiro[(1R,2S)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium","Acta Crystallographica Section C","2008","64","4","m147","m148","10.1107/S0108270108004666","","","0.71073","MoKα","","0.045","0.0404","","","0.0886","0.0899","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016602","9.442","0.002","7.6914","0.0016","23.09","0.005","90","","93.733","0.003","90","","1673.3","0.6","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","20-Desmethyl-β-carotene","20-nor-β,β-carotene","","- C39 H54 -","- C39 H54 -","- C78 H108 -","2","1","JZ3128","Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Wilkinson, James","Two polymorphs of 20-desmethyl-β-carotene","Acta Crystallographica Section C","2008","64","5","o252","o256","10.1107/S0108270108007816","","","0.71073","MoKα","","0.1359","0.0579","","","0.0964","0.1115","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016652","7.8767","0.0004","12.7381","0.0006","9.344","0.0004","90","","90.756","0.004","90","","937.44","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly[[μ-aqua-diaqua(μ~5~-propane-1,3- diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]","","- C11 H24 Co Li2 N2 O13 -","- C11 H24 Co Li2 N2 O13 -","- C22 H48 Co2 Li4 N4 O26 -","2","1","SQ3137","Rychlewska, Urszula; Warżajtis, Beata; Djuran, Miloš I.; Radanović, Dušanka D.; Dimitrijević, Mirjana Dj.; Rajković, Snežana","Coordination behaviour and two-dimensional-network formation in poly[[μ-aqua-diaqua(μ~5~-propane-1,3-diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]: the first example of an M^II^‒1,3-pdta complex with a monovalent metal counter-ion","Acta Crystallographica Section C","2008","64","6","m217","m220","10.1107/S0108270108010706","","","0.71073","MoKα","","0.0383","0.0276","","","0.0497","0.0517","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016701","10.806","0.004","7.984","0.0013","11.0107","0.0008","90","","109.742","0.002","90","","894.1","0.4","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C28 H38 N6 O18 -","2","1","BM3053","Dedola, Simone; Nepogodiev, Sergey A.; Hughes, David L.; Field, Robert A.","2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl azide","Acta Crystallographica Section C","2008","64","8","o445","o446","10.1107/S0108270108020702","","","0.71073","MoKα","","0.062","0.0392","","","0.0819","0.087","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016733","15.321","0.0014","4.6518","0.0005","18.6647","0.0017","90","","94.239","0.005","90","","1326.6","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-bromo-9-ethyl-1,4-dimethyl-9H-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C64 H64 Br4 N4 -","4","2","SK3248","Sopková-de Oliveira Santos, Jana; Caruso, Anna; Lohier, Jean-François; Lancelot, Jean-Charles; Rault, Sylvain","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole and 6-bromo-9-ethyl-1,4-dimethyl-9H-carbazole","Acta Crystallographica Section C","2008","64","8","o453","o455","10.1107/S0108270108020593","","","0.71073","MoKα","","0.0396","0.0299","","","0.064","0.0669","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016760","10.5798","0.0008","5.3448","0.001","12.873","0.003","90","","90.204","0.012","90","","727.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2SR,4RS)-7-Chloro-2-exo-[(E)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.1158","0.0504","","","0.096","0.1204","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016762","5.4172","0.0002","8.0164","0.0006","16.231","0.0011","90","","96.745","0.004","90","","699.98","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,4R)-7-fluoro-2-endo-[(E)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 F N O -","- C18 H16 F N O -","- C36 H32 F2 N2 O2 -","2","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.0448","0.035","","","0.0776","0.0833","","","","","","1.166","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016765","5.6913","0.0006","10.1187","0.0006","13.2996","0.0013","90","","100.497","0.008","90","","753.09","0.12","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,4R)-2-exo-(5-bromo-2-thienyl)-7-trifluoromethoxy- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C15 H11 Br F3 N O2 S -","- C15 H11 Br F3 N O2 S -","- C30 H22 Br2 F6 N2 O4 S2 -","2","1","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.0556","0.0342","","","0.0656","0.0712","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016778","6.351","0.0012","42.306","0.006","7.1764","0.0006","90","","115.651","0.013","90","","1738.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5α-Androst-3-en-17-one oxime","","- C19 H29 N O -","- C19 H29 N O -","- C76 H116 N4 O4 -","4","2","SK3256","Andrade, L. C. R.; Almeida, M. J. M. de; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.","5α-Androst-3-en-17-one oxime","Acta Crystallographica Section C","2008","64","9","o508","o510","10.1107/S0108270108023299","","","1.5418","CuKα","","0.0581","0.0416","","","0.1224","0.1332","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016812","7.0484","0.0004","19.4249","0.0007","10.3331","0.0005","90","","109.774","0.004","90","","1331.33","0.12","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-Diaquabis(nicotinamide-κN)bis(salicylato-κO)cobalt(II)","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","1","HJ3085","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Necefoglu, Hacali","trans-Diaquabis(nicotinamide-κN)bis(salicylato-κO)cobalt(II)","Acta Crystallographica Section C","2008","64","10","m317","m320","10.1107/S0108270108029521","","","0.71073","MoKα","","0.0487","0.0431","","","0.1114","0.1145","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016817","9.032","0.003","11.758","0.002","9.208","0.002","90","","117.11","0.02","90","","870.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[4-Phenyl-5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]nicotinic acid","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C38 H26 N10 O4 -","2","1","SQ3157","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","2-[4-Phenyl-5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism","Acta Crystallographica Section C","2008","64","10","o574","o577","10.1107/S0108270108029806","","","1.54178","CuKα","","0.0633","0.0373","","","0.0925","0.1036","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016909","8.282","0.001","17.099","0.002","8.367","0.001","90","","117.08","0.02","90","","1055","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","2","NA1032","Puliti, R.; Mattia, C. A.; Lilley, T. H.","Structure of N-acetyl-L-prolylglycinamide","Acta Crystallographica Section C","1993","49","12","2173","2176","10.1107/S0108270193005281","","","1.54056","CuKα","","","0.036","","","0.038","","","","","0.89","0.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016911","7.672","0.004","15.37","0.02","15.053","0.009","90","","90.54","0.05","90","","1775","3","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Br F N O2 -","- C18 H21 Br F N O2 -","- C72 H84 Br4 F4 N4 O8 -","4","2","NA1053","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (‒)-(RS)-α-[(benzylamino)methyl]-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol hydrobromide","Acta Crystallographica Section C","1993","49","12","2157","2160","10.1107/S0108270193006699","","","0.71073","MoKα","","","0.0538","","","0.0424","","","","","1.55","1.55","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016913","7.6075","0.0013","22.281","0.004","9.8205","0.0016","90","","108.15","0.002","90","","1581.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[diaqua-μ-4,4'-bipyridine-dinitratodi-μ-L-tyrosinato-diaquadicopper(II)]","","- C28 H32 Cu2 N6 O14 -","- C28 H32 Cu2 N6 O14 -","- C56 H64 Cu4 N12 O28 -","2","1","BG3088","Zhang, Shuo; Hu, Ning-Hai","Poly[[diaqua-μ-4,4'-bipyridine-dinitratodi-μ-L-tyrosinato-dicopper(II)]: a chiral two-dimensional coordination polymer","Acta Crystallographica Section C","2009","65","1","m7","m9","10.1107/S0108270108038985","","","0.71073","MoKα","","0.0574","0.0522","","","0.1339","0.1372","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016938","13.7194","0.0009","6.9464","0.0004","14.9703","0.0009","90","","107.148","0.002","90","","1363.26","0.15","122","2","122","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4S,5R)-Diethyl 2-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4- ylcarbonyl)-5-phenylpyrrolidine-3,4-dicarboxylate","","- C27 H36 N2 O7 S -","- C27 H36 N2 O7 S -","- C54 H72 N4 O14 S2 -","2","1","SK3280","Gainsford, Graeme J.; Mee, Simon P. H.; Luxenburger, Andreas","(2S,3R,4S,5R)-Diethyl 2-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4-ylcarbonyl)-5-phenylpyrrolidine-3,4-dicarboxylate: a novel isomorphous-by-addition compound","Acta Crystallographica Section C","2009","65","1","o15","o18","10.1107/S0108270108040584","","","0.71073","MoKα","","0.0779","0.056","","","0.1384","0.152","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016944","5.7287","0.0007","27.517","0.004","11.9206","0.0017","90","","91.881","0.008","90","","1878.1","0.4","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(1RS,3RS)-2,2-dimethyl-3- phenylcyclopropyl][(1SR,3SR)-2,2-dimethyl-3- phenylcyclopropyl]methanone","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","2","BM3069","Edwards, Michael G.; Pugh, David S.; Whitwood, Adrian C.; Taylor, Richard J. K.","gem-Dimethylcyclopropanation of dibenzylideneacetone using triisopropyl sulfoxonium tetrafluoroborate","Acta Crystallographica Section C","2009","65","2","o39","o41","10.1107/S0108270108042431","","","0.71073","MoKα","","0.114","0.0865","","","0.163","0.186","","","","","","1.24","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016954","5.382","0.004","19.375","0.014","11.691","0.009","90","","96.771","0.009","90","","1210.6","1.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly[aqua(4,4'-bipyridine)[μ~3~-S-carboxylatomethyl-N- (p-tosyl)-L-cysteinato]manganese(II)]","","- C22 H23 Mn N3 O7 S2 -","- C22 H23 Mn N3 O7 S2 -","- C44 H46 Mn2 N6 O14 S4 -","2","1","FA3174","Xiong, Wei; Su, Yan; Chen, Zilu; Liang, Fupei","A three-dimensional homochiral metal‒organic framework constructed from manganese(II) with S-carboxymethyl-N-(p-tosyl)-L-cysteine and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","2","m56","m58","10.1107/S0108270108042637","","","0.71073","MoKα","","0.0726","0.0578","","","0.1531","0.1627","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016961","15.295","0.004","7.764","0.003","20.264","0.006","90","","100.48","0.02","90","","2366.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1R)-N-[(5,5-dioxo-6,7-dihydrodibenzo[d,f][1,2]\ thiazepin-7-yl)methyl]-1-(1-naphthyl)ethanaminium chloride","","- C26 H25 Cl N2 O2 S -","- C26 H25 Cl N2 O2 S -","- C104 H100 Cl4 N8 O8 S4 -","4","2","GD3257","Kiefer, Lionel; Dauban, Philippe; Dodd, Robert H.; Retailleau, Pascal","Two enantiomerically pure cyclic arenesulfonamide hydrochloride salts","Acta Crystallographica Section C","2009","65","2","o46","o50","10.1107/S010827010804287X","","","0.71069","MoKα","","0.0884","0.0489","","","0.101","0.1182","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016963","13.813","0.004","19.279","0.005","5.9801","0.0015","90","","96.665","0.004","90","","1581.7","0.7","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate","","- C17 H16 O8 -","- C17 H16 O8 -","- C68 H64 O32 -","4","2","GD3264","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Two modes of O—H···O hydrogen bonding utilized in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2009","65","2","o54","o57","10.1107/S0108270109000225","","","0.71073","MoKα","","0.0527","0.0481","","","0.1115","0.114","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017061","7.8444","0.0003","9.8146","0.0004","10.0871","0.0004","90","","92.103","0.003","90","","776.08","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,4S)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4- epoxynaphtho[1,2-b]azepine","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C40 H32 Br2 N2 O2 -","2","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2R,4S)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, (2RS,4SR)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine and (2RS,4SR)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0577","0.046","","","0.0951","0.1019","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017071","12.3336","0.0001","7.4124","0.0001","18.2476","0.0001","90","","101.93","0.001","90","","1632.19","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3bR,5aR,9aR,9bR)-3b,6,6,9a-tetramethyl-4,5,5a,6,8,9,9a,9b,10,11- decahydrophenanthro[1,2-c]furan-7(3bH)-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0304","0.0274","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017072","9.5317","0.0001","7.8958","0.0001","11.6742","0.0001","90","","101.734","0.001","90","","860.244","0.016","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3bR,5aR,6S,7R,9aR,9bR)-7-hydroxy- 6-hydroxymethyl-3b,6,9a-trimethyl-3b,5,5a,6,7,9,9a,9b,10,11- decahydrophenanthro[1,2-c]furan-8(4H)-one","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0452","0.0448","","","0.1184","0.1186","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017092","8.324","0.001","6.3744","0.0008","11.0384","0.0013","90","","95.898","0.002","90","","582.6","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(2,4,6-trifluoromethyl)phenylphosphinic acid","","- C9 H4 F9 O2 P -","- C9 H4 F9 O2 P -","- C18 H8 F18 O4 P2 -","2","1","GD3280","Cornet, Stéphanie M.; Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Thompson, Amber L.","Hydrogen bonding and short contacts in [2,4,6-tris(trifluoromethyl)phenyl]phosphinic acid","Acta Crystallographica Section C","2009","65","5","o195","o197","10.1107/S0108270109010415","","","0.71073","MoKα","","0.0705","0.0512","","","0.1009","0.1072","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017109","6.6398","0.0004","11.6663","0.0008","9.2846","0.001","90","","96.517","0.011","90","","714.56","0.1","122","1","122","1","","","","","","","","7","P 1 21 1","P 2yb","4","","Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2-)- κ^2^N,O^1^]cobalt(III) trifluoromethanesulfonate","","- C7 H17 Co F3 N5 O6 S -","- C7 H17 Co F3 N5 O6 S -","- C14 H34 Co2 F6 N10 O12 S2 -","2","1","MX3011","Hammershøi, Anders; Magnussen, Magnus","Linkage isomeric oxamate chelates: rac-bis(ethane-1,2-diamine)oxamatocobalt(III) bis(trifluoromethanesulfonate) dihydrate and Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2{-})]cobalt(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","5","m201","m204","10.1107/S0108270109013122","","","0.71073","MoKα","","0.0212","0.0194","","","0.0459","0.0469","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017144","10.11","0.002","4.7064","0.0009","16.686","0.003","90","","106.663","0.002","90","","760.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-methionine (1/1)","","- C14 H22 N2 O4 S -","- C14 H22 N2 O4 S -","- C28 H44 N4 O8 S2 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. IV. The L-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0409","0.0374","","","0.0971","0.0985","","","","","","1.183","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017145","5.1861","0.0005","29.698","0.003","5.4158","0.0005","90","","110.372","0.001","90","","781.95","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-leucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C30 H48 N4 O8 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. IV. The L-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0416","0.036","","","0.0857","0.0889","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017147","5.2436","0.0005","28.949","0.003","5.4069","0.0005","90","","109.747","0.001","90","","772.49","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-alloisoleucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C30 H48 N4 O8 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. IV. The L-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0358","0.0344","","","0.0866","0.0876","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017165","6.083","0.0009","10.8648","0.0016","9.6826","0.0014","90","","102.621","0.005","90","","624.47","0.16","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-methylpiperazinium (2S,3S)-tartrate dihydrate","","- C9 H22 N2 O8 -","- C9 H22 N2 O8 -","- C18 H44 N4 O16 -","2","1","EG3019","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:1 salts of (S)- and (R)-2-methylpiperazine with (2S,3S)-tartaric acid","Acta Crystallographica Section C","2009","65","7","o357","o360","10.1107/S0108270109024093","","","0.71075","MoKα","","0.0195","0.0195","","","0.0499","0.05","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017207","7.399","0.0015","26.328","0.005","13.214","0.003","90","","91.17","0.03","90","","2573.6","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4S,5R)- 4-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan- 4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-c]pyrrole-1,3-dione","","- C29 H31 N3 O5 S -","- C29 H31 N3 O5 S -","- C116 H124 N12 O20 S4 -","4","2","SQ3199","Gainsford, Graeme J.; Mee, Simon P. H.; Luxenburger, Andreas","`Segmented' crystals solved using synchrotron radiation: (2S,3R,4S,5R)-4-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-c]pyrrole-1,3-dione","Acta Crystallographica Section C","2009","65","7","o331","o334","10.1107/S0108270109020435","","","0.773","synchrotron","","0.046","0.0435","","","0.1092","0.1109","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017219","8.893","0.001","11.1321","0.0012","10.2078","0.0009","90","","109.749","0.007","90","","951.11","0.18","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Benzyl-3-tert-butyl-1-phenyl-6,7-dihydro-1H,4H-\ pyrazolo[3,4-d][1,3]oxazine","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-tert-butyl-1-phenylpyrazolo[3,4-d]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0718","0.0434","","","0.0891","0.1027","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017220","8.95","0.0007","11.2146","0.001","10.0768","0.0009","90","","107.572","0.005","90","","964.22","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-tert-butyl-7-(4-methylbenzyl)-1-phenyl-6,7-dihydro- 1H,4H-pyrazolo[3,4-d][1,3]oxazine","","- C23 H27 N3 O -","- C23 H27 N3 O -","- C46 H54 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-tert-butyl-1-phenylpyrazolo[3,4-d]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.12","0.0522","","","0.1165","0.1492","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017221","9.1888","0.0002","11.4499","0.0003","9.721","0.0002","90","","101.857","0.001","90","","1000.93","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-tert-butyl-7-(4-methoxybenzyl)-1-phenyl-6,7-dihydro- 1H,4H-pyrazolo[3,4-d][1,3]oxazine","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-tert-butyl-1-phenylpyrazolo[3,4-d]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0431","0.0384","","","0.0818","0.0845","","","","","","1.185","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017224","8.8268","0.001","11.6521","0.001","10.3831","0.0007","90","","93.747","0.009","90","","1065.63","0.17","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-tert-butyl-7-(2,3-dimethoxybenzyl)-1-phenyl-6,7-dihydro- 1H,4H-pyrazolo[3,4-d][1,3]oxazine","","- C24 H29 N3 O3 -","- C24 H29 N3 O3 -","- C48 H58 N6 O6 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-tert-butyl-1-phenylpyrazolo[3,4-d]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0619","0.0443","","","0.1001","0.1115","","","","","","1.126","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017233","6.9113","0.0002","33.447","0.0009","8.0716","0.0002","90","","99.778","0.003","90","","1838.74","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","codeine hydrogen dihydrogen phosphate hemihydrate","(5α,6α)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate hemihydrate","","- C18 H25 N O7.5 P -","- C18 H25 N O7.5 P -","- C72 H100 N4 O30 P4 -","4","2","FG3114","Langes, Christoph; Gelbrich, Thomas; Griesser, Ulrich J.; Kahlenberg, Volker","Codeine dihydrogen phosphate hemihydrate","Acta Crystallographica Section C","2009","65","8","o419","o422","10.1107/S0108270109027164","","","0.71073","MoKα","","0.0496","0.0455","","","0.113","0.1148","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017262","8.4158","0.0017","14.779","0.003","10.438","0.002","90","","110.58","0.03","90","","1215.4","0.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'- (p-phenylenedimethylene)bis(piperazine-2,5-dione)","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","1","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(p-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.1301","0.08","","","0.1179","0.1338","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017264","9.2208","0.0013","12.6517","0.0019","9.6894","0.0015","90","","92.123","0.002","90","","1129.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3'-[1,4-phenylene-bis-(methylene)]-bis-[6-(chloromethyl)- 1,4-dimethyl-2,5-piperazinedione]","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","1","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(p-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.0424","0.0349","","","0.0808","0.0847","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017274","11.2728","0.0007","5.7612","0.0004","13.3573","0.0009","90","","90.171","0.004","90","","867.48","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(S)-2-chloro-3-quinolyl]-2-[(R)-1-(4- methoxyphenyl)ethylamino]acetonitrile","","- C20 H18 Cl N3 O -","- C20 H18 Cl N3 O -","- C40 H36 Cl2 N6 O2 -","2","1","DN3121","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","The diastereoisomers 2-[(S/R)-2-chloro-3-quinolyl]-2-[(R)-1-(4-methoxyphenyl)ethylamino]acetonitrile at 100K","Acta Crystallographica Section C","2009","65","9","o475","o478","10.1107/S010827010903193X","","","0.71073","MoKα","","","0.0362","","","","0.0867","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017281","8.8558","0.0019","7.3585","0.0013","9.9622","0.0018","90","","101.622","0.017","90","","635.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,4R)-2-exo-(2-Chlorophenyl)-2,3,4,5-tetrahydro- 1H-1,4-epoxy-1-benzazepine","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C32 H28 Cl2 N2 O2 -","2","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.0573","0.0383","","","0.0716","0.0782","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017309","4.468","0.002","8.486","0.003","8.881","0.001","90","","100.698","0.005","90","","330.87","0.19","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C14 H10 F4 N2 O2 -","2","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of N-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0313","","","","0.0762","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017369","10.7614","0.0002","31.0703","0.0005","14.7131","0.0003","90","","110.948","0.002","90","","4594.32","0.16","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","lagoden","sodium 3β,16,18-trihydroxy-8,13-epi-9,13-epoxylabdan-15-oate dimethylformamide hemisolvate dihydrate","","- C21.5 H40.5 N0.5 Na O8.5 -","- C21.5 H40.5 N0.5 Na O8.5 -","- C172 H324 N4 Na8 O68 -","8","4","SU3037","Wicher, Barbara; Gdaniec, Maria; Dalimov, Davran N.; Zainutdinov, Umardjon N.","Lagoden dimethylformamide hemisolvate dihydrate: absolute configuration, dipolar interactions and~hydrogen-bonding interactions","Acta Crystallographica Section C","2009","65","10","m367","m370","10.1107/S010827010903354X","","","1.54184","CuKα","","0.0325","0.0322","","","0.0861","0.0863","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017422","3.6087","0.0001","15.4328","0.0005","12.7326","0.0003","90","","97.566","0.002","90","","702.93","0.03","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[bis(μ~2~-2-aminopyrazine-κ^2^N^1^:N^4^)(μ~2~-nitrato-\ κ^2^O:O)(nitrato-κ^2^O,O')disilver(I)]","","- C8 H10 Ag2 N8 O6 -","- C8 H10 Ag2 N8 O6 -","- C16 H20 Ag4 N16 O12 -","2","1","DN3128","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Poly[bis(μ~2~-2-aminopyrazine-κ^2^N^1^:N^4^)(μ~2~-nitrato-κ^2^O:O)(nitrato-κ^2^O,O')disilver(I)]: an achiral two-dimensional coordination polymer forming chiral crystals","Acta Crystallographica Section C","2009","65","12","m478","m480","10.1107/S0108270109045806","","","0.71073","MoKα","","0.0247","0.0227","","","0.0495","0.0498","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017438","5.8427","0.0002","17.5893","0.0007","7.1302","0.0003","90","","104.634","0.0016","90","","708.99","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Aminoanilinium 2-carboxylato-1-benzofuran-3-carboxylic acid","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.0554","0.0419","","","0.1043","0.1103","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017439","8.594","0.0004","4.7435","0.0002","10.7293","0.0005","90","","95.183","0.004","90","","435.6","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","4-methoxy-1-naphthol","4-methoxy-1-naphthol","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","GD3319","Marciniak, Bernard; Rozycka-Sokolowska, Ewa","4-Methoxy-1-naphthol: chains formed by O—H···O hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2009","65","12","o630","o634","10.1107/S0108270109047556","","","0.71073","MoKα","","0.044","0.0358","","","0.0805","0.0838","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017449","8.1257","0.0004","11.3239","0.0005","11.386","0.0005","90","","99.363","0.001","90","","1033.72","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-phenyl-2,3-dihydro-7H-1,3-thiazolo[3,2-b][1,2,4]triazin-7-one","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","2","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKα","","0.0242","0.0236","","","0.0603","0.0609","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017451","7.528","0.002","8.744","0.004","12.695","0.011","90","","100.15","0.04","90","","822.6","0.8","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-allolactoside monohydrate","Methyl β-allolactoside monohydrate","","- C13 H26 O12 -","- C13 H26 O12 -","- C26 H52 O24 -","2","1","MX3023","Klepach, Thomas E.; Reed, Meredith; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-allolactoside [methyl β-D-galactopyranosyl-(1\ρightarrow 6)-β-D-glucopyranoside] monohydrate","Acta Crystallographica Section C","2009","65","12","o601","o606","10.1107/S0108270109042310","","","0.7749","synchrotron","","0.0551","0.0491","","","0.1175","0.1212","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017454","5.6201","0.0004","11.3645","0.0009","19.0281","0.0016","90","","96.659","0.004","90","","1207.12","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-(prop-1-ynyl)-pyrimidin- 2,4(1H,3H)-dione","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","2","SK3346","Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","2'-Deoxy-5-propynyluridine: a nucleoside with two conformations in the asymmetric unit","Acta Crystallographica Section C","2009","65","12","o645","o648","10.1107/S0108270109044850","","","0.71073","MoKα","","0.0386","0.033","","","0.0846","0.0884","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017500","4.7035","0.0002","18.5073","0.0004","9.1172","0.0002","90","","102.689","0.003","90","","774.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4H-1,3- thiazin-4-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.0548","0.0417","","","0.0909","0.0953","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017521","9.4669","0.0006","9.9255","0.0006","13.4949","0.0008","90","","104.601","0.001","90","","1227.08","0.13","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4R)-2-(N-{(1S,2S)-2-chloro-1- [(3R,4S,5R,6R)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate","","- C18 H36 Cl2 N2 O6 S -","- C18 H36 Cl2 N2 O6 S -","- C36 H72 Cl4 N4 O12 S2 -","2","1","SF3125","Ravikumar, Krishnan; Sridhar, Balasubramanian","Clindamycin hydrochloride monohydrate and its ethanol solvate","Acta Crystallographica Section C","2010","66","2","o97","o100","10.1107/S0108270110000958","","","0.71073","MoKα","","0.0316","0.0308","","","0.0828","0.0836","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017568","5.35502","0.00011","7.96182","0.00014","20.1151","0.0005","90","","92.061","0.002","90","","857.07","0.03","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","2,3,4,6-tetraacetyl-1-fluoro-α-D-glucopyranose","2,3,4,6-tetra-O-acetyl-1-fluoro-α-D-glucopyranose","","- C14 H19 F O9 -","- C14 H19 F O9 -","- C28 H38 F2 O18 -","2","1","JZ3170","Dedola, Simone; Hughes, David L.; Field, Robert A.","Peracetylated α-D-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride","Acta Crystallographica Section C","2010","66","3","o124","o127","10.1107/S0108270110003641","","","0.71073","MoKα","","0.0428","0.0325","","","0.0701","0.0731","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017569","5.63832","0.00009","18.2908","0.0003","14.8144","0.0002","90","","94.4966","0.0015","90","","1523.1","0.04","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 2","2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl-(1→4)-\ 2,3,6-tri-O-acetyl-1-fluoro-α-D-glucopyranose","","- C26 H35 F O17 -","- C26 H35 F O17 -","- C52 H70 F2 O34 -","2","1","JZ3170","Dedola, Simone; Hughes, David L.; Field, Robert A.","Peracetylated α-D-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride","Acta Crystallographica Section C","2010","66","3","o124","o127","10.1107/S0108270110003641","","","0.71073","MoKα","","0.063","0.0483","","","0.1117","0.1172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017588","10.4753","0.0013","5.4759","0.0008","10.9632","0.0012","90","","105.791","0.013","90","","605.13","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7,9-dichloro-2-exo-(prop-1-en-2-yl)-2,3,4,5-tetrahydro- 1H-1,4-epoxy-1-benzazepine","","- C13 H13 Cl2 N O -","- C13 H13 Cl2 N O -","- C26 H26 Cl4 N2 O2 -","2","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0557","0.0445","","","0.1069","0.1146","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017609","7.3752","0.0006","6.3516","0.0004","13.8654","0.0011","90","","103.648","0.004","90","","631.18","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-amino-8-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)imidazo[1,2-a]- 1,3,5-triazin-4(8H)-one monohydrate","","- C10 H14 F N5 O5 -","- C10 H14 F N5 O5 -","- C20 H28 F2 N10 O10 -","2","1","GD3329","Jiang, Dawei; Budow, Simone; Glaçon, Virginie; Eickmeier, Henning; Reuter, Hans; He, Yang; Seela, Frank","2-Amino-8-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one monohydrate, a 2'-deoxyguanosine analogue with an altered Watson‒Crick recognition site","Acta Crystallographica Section C","2010","66","4","o194","o197","10.1107/S0108270110008036","","","0.71073","MoKα","","0.0352","0.0308","","","0.0763","0.0789","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017611","10.052","0.004","5.299","0.004","12.976","0.008","90","","91.1","0.04","90","","691","0.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,4R)-7-fluoro-2-exo-[(E)-styryl]-2,3,4,5-\ tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C18 H16 F N O -","- C18 H16 F N O -","- C36 H32 F2 N2 O2 -","2","1","GG3231","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in (2S*,4R*)-7-fluoro-2-exo-[(E)-styryl]-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","Acta Crystallographica Section C","2010","66","4","o206","o208","10.1107/S010827011000884X","","","0.71073","MoKα","","0.0775","0.0493","","","0.0948","0.1067","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017637","6.2","0.0012","10.89","0.002","12.53","0.003","90","","100.49","0.03","90","","831.9","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","SQ3232","Andrade, L. C. R.; de Almeida, M. J. M.; Neves, M. A. C.; Dinis, T. C. P.; Sá e Melo, M. L.","6β-Methyl-B-norandrostenedione","Acta Crystallographica Section C","2010","66","4","o185","o186","10.1107/S0108270110005871","","","0.71073","MoKα","","0.05","0.0363","","","0.0926","0.0997","","","","","","1.06","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2017649","6.9596","0.0003","17.2201","0.0009","8.7147","0.0004","90","","103.315","0.004","90","","1016.34","0.08","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","bromodragonfly 3,5-dinitrosalicylate","1-(8-bromobenzo[1,2-b;5,4-b']difuran-4-yl)propan-2-aminium 2-carboxy-4,6-dinitrophenolate","","- C20 H16 Br N3 O9 -","- C20 H16 Br N3 O9 -","- C40 H32 Br2 N6 O18 -","2","1","GA3145","Smith, Graham; Cotton, Marcus S.; Wermuth, Urs D.; Boyd, Sue E.","Crystallographic characterization of the first reported crystalline form of the potent hallucinogen (R)-2-amino-1-(8-bromobenzo[1,2-b;5,4-b']difuran-4-yl)propane or `bromodragonfly': the 1:1 anhydrous proton-transfer compound with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2010","66","5","o252","o255","10.1107/S0108270110012850","","","0.71073","MoKα","","0.0586","0.0476","","","0.1066","0.1123","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017653","4.8358","0.0017","10.293","0.004","17.403","0.006","90","","97.524","0.01","90","","858.8","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","N-{(5S)-3-[4-(5,6-dihydro-2H,4H-2- methylpyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3- oxazolidin-5-yl}acetamide","","- C18 H20 F N5 O3 -","- C18 H20 F N5 O3 -","- C36 H40 F2 N10 O6 -","2","1","MX3027","Cheung, Eugene Y.; Peterson, Matthew L.; Chiarella, Renato; Foxman, Bruce M.","A novel oxazolidinone antibiotic: RWJ-416457","Acta Crystallographica Section C","2010","66","5","o249","o251","10.1107/S0108270110009339","","","0.71073","MoKα","","0.0852","0.0491","","0.0868","0.0744","0.0868","","","","","","0.9625","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017664","14.195","0.006","4.816","0.003","17.029","0.006","90","","102.58","0.03","90","","1136.2","1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Histidine‒Inosine-5'-phosphate complex methanol solvate hydrate","L-Histdinium inosine-5'-phosphate methanol solvate monohydrate","","- C17 H28 N7 O12 P -","- C17 H28 N7 O12 P -","- C34 H56 N14 O24 P2 -","2","1","FG3159","Ślepokura, Katarzyna; Petrus, Rafał","Nucleotide‒amino acid interactions in the L-His‒IMP·MeOH·H~2~O complex","Acta Crystallographica Section C","2010","66","6","o265","o269","10.1107/S0108270110014381","","","0.71073","MoKα","","0.1492","0.0515","","","0.0565","0.0698","","","","","","0.774","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017680","9.9638","0.0018","22.644","0.004","14.723","0.003","90","","97.998","0.007","90","","3289.5","1.1","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tetrapotassium [μ~2~-N-carboxylato-D-penicillaminato(3-)- 5:6κ^2^S:S][μ~2~-D-penicillaminato(1-)- 2,3κ^2^S:S]tetrakis[μ~2~-D-penicillaminato(2-)]- 1:2κ^3^N,S:S; 1:6κ^3^N,S:S; 3:4κ^3^S:N,S; 4:5κ^3^N,S:S-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate","","- C33 H79 Au4 K4 N6 Ni2 O25 S6 -","- C33 H79 Au4 K4 N6 Ni2 O25 S6 -","- C66 H158 Au8 K8 N12 Ni4 O50 S12 -","2","1","LG3031","Hashimoto, Yuji; Taguchi, Mai; Yoshinari, Nobuto; Konno, Takumi","Tetrapotassium [μ~2~-N-carboxylato-D-penicillaminato(3‒)-5:6κ^2^S:S][μ~2~-D-penicillaminato(1‒)-2:3κ^2^S:S]tetrakis[μ~2~-D-penicillaminato(2‒)]-1:2κ^3^N,S:S;1:6κ^3^N,S:S;3:4κ^3^S:N,S;4:5κ^3^N,S:S-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate","Acta Crystallographica Section C","2010","66","6","m160","m162","10.1107/S0108270110016550","","","0.71075","MoKα","","0.036","0.0298","","","0.0589","0.0641","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017691","7.235","0.002","10.823","0.004","9.545","0.003","90","","98.78","0.02","90","","738.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate","","- C11 H21 N2 O5 P -","- C11 H21 N2 O5 P -","- C22 H42 N4 O10 P2 -","2","1","DN3143","Arfaoui, Youssef; Kouass, Salah; Salah, Nesrine; Ben Akacha, Azaiez; Guesmi, Abderrahmen","Ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate: a combined X-ray and density functional theory (DFT) study","Acta Crystallographica Section C","2010","66","7","o353","o355","10.1107/S0108270110020688","","","0.71073","MoKα","","0.0306","0.028","","","0.0785","0.0802","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017701","6.443","0.001","6.883","0.001","9.301","0.001","90","","98.8","0.2","90","","407.6","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","Ammonium Tungstate Tellurite","Diammonium [oxtaoxidoditellurato(IV)]tungstate","","- H8 N2 O8 Te2 W -","- N2 O8 Te2 W -","- N4 O16 Te4 W2 -","2","1","FA3227","Grzechnik, A.; Halasyamani, P. S.; Kim, J.-H.; Friese, K.","(NH~4~)~2~WTe~2~O~8~ at 5.09GPa: a single-crystal study using synchrotron radiation","Acta Crystallographica Section C","2010","66","7","i79","i81","10.1107/S0108270110022869","","","0.3978","synchrotron","","0.1117","0.1117","","","0.0948","0.0948","","","","","","2.27","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017721","11.5729","0.0004","11.2385","0.0004","16.0232","0.0006","90","","94.329","0.001","90","","2078.06","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine hemihydrate","cis-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)pyrimidin- 2(1H)-one hemihydrate","","- C8 H12 N3 O3.5 S -","- C8 H12 N3 O3.5 S -","- C64 H96 N24 O28 S8 -","8","4","LN3144","Bhattacharya, Abir; Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Mukherjee, Alok K.","Lamivudine hemihydrate","Acta Crystallographica Section C","2010","66","7","o329","o333","10.1107/S0108270110020317","","","0.71073","MoKα","","0.0302","0.0282","","","0.0697","0.0709","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017812","22.2716","0.0001","12.6944","0.0001","23.6689","0.0002","90","","109.749","0.0004","90","","6298.19","0.08","160","1","160","1","","","","","","","","7","P 1 21 1","P 2yb","4","","(P)-chloridobis[(S)-(+)-5-(3,5-dioxa-4- phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)- dibenz[b,f]azepine]iridium(I)‒benzene‒pentane (1/1/1)","","- C79 H62 Cl Ir N2 O4 P2 -","- C79 H62 Cl Ir N2 O4 P2 -","- C316 H248 Cl4 Ir4 N8 O16 P8 -","4","2","FG3194","Linden, Anthony; Dorta, Romano","An optically pure P‒alkene-ligated Ir^I^ complex","Acta Crystallographica Section C","2010","66","10","m290","m293","10.1107/S0108270110036413","","","0.71073","MoKα","","0.0312","0.028","","","0.0659","0.0678","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017829","7.1469","0.0003","8.7025","0.0004","9.11","0.0004","90","","104.056","0.002","90","","549.64","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Amino-1-(2-deoxy-β-erythro-pentofuranosyl)-1H-1,2,3- triazolo[4,5-d]pyrimidine","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C18 H24 N12 O6 -","2","1","GD3369","Jiang, Dawei; He, Yang; Budow, Simone; Kazimierczuk, Zygmunt; Eickmeier, Henning; Reuter, Hans; Seela, Frank","7-Amino-1-(2-deoxy-β-erythro-pentofuranosyl)-1H-1,2,3-triazolo[4,5-d]pyrimidine: an 8-azaadenine nucleoside with the nucleobase in a syn conformation","Acta Crystallographica Section C","2010","66","11","o561","o564","10.1107/S0108270110043088","","","0.71073","MoKα","","0.0279","0.0276","","","0.0751","0.0755","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017832","12.6799","0.0003","12.0326","0.0003","11.6791","0.0002","90","","94.5495","0.0017","90","","1776.29","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-diacetonitrile[(1R,2R)-1,2-diaminocyclohexane- κ^2^N,N']platinum(II) dinitrate monohydrate","","- C10 H22 N6 O7 Pt -","- C10 H22 N6 O7 Pt -","- C40 H88 N24 O28 Pt4 -","4","2","GG3238","Pažout, Richard; Housková, Jitka; Dušek, Michal; Maixner, Jaroslav; Cibulková, Jana; Kačer, Petr","A new [(1R,2R)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate‒acetonitrile ligand exchange","Acta Crystallographica Section C","2010","66","10","m273","m275","10.1107/S0108270110033135","","","0.71073","MoKα","","0.0136","0.0121","","","0.0298","0.0301","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017837","8.974","0.004","7.1817","0.0008","22.718","0.009","90","","95.39","0.03","90","","1457.7","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S*,4R*)-2-exo-(1-Naphthyl)-2,3,4,5-tetrahydro- 1H-1,4-epoxy-1-benzazepine","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","2","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0602","0.0459","","","0.0927","0.0986","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017849","11.6507","0.0004","8.76","0.0005","11.7169","0.0006","90","","113.572","0.004","90","","1096.05","0.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Λ(+)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate","Λ(+)~578~-bis(ethane-1,2-diamine)[β-ethyl (S)-aspartato- κ^2^N,O^1^]cobalt(III) bis(perchlorate) monohydrate","","- C10 H28 Cl2 Co N5 O13 -","- C10 H28 Cl2 Co N5 O13 -","- C20 H56 Cl4 Co2 N10 O26 -","2","1","LG3040","Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne","Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (S)-aspartato]cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2010","66","11","m319","m322","10.1107/S0108270110036851","","","0.71073","MoKα","","0.0495","0.0445","","","0.1301","0.1386","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017895","7.7873","0.0009","7.1895","0.0008","11.1111","0.0012","90","","99.274","0.005","90","","613.94","0.12","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(6aS,9S,10aR)-11,11-dimethyl-5,5-dioxo-2,3,8,9-tetrahydro-6H-6a,9- methanooxazaolo[2,3-i][2,1]benzisothiazol-10(7H)-one","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0373","0.0306","","","0.0686","0.0715","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017897","7.0202","0.0014","5.6645","0.0011","9.938","0.002","90","","106.06","0.03","90","","379.77","0.14","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate]","","- C5 H10 Cu O6 -","- C5 H10 Cu O6 -","- C10 H20 Cu2 O12 -","2","1","SK3385","Guo, Ming-Lin; Wang, Feng-Qin","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","Acta Crystallographica Section C","2010","66","12","m379","m383","10.1107/S010827011004761X","","","0.71073","MoKα","","0.0606","0.0564","","","0.1494","0.1517","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017910","7.697","0.0009","6.9954","0.0008","12.2852","0.0013","90","","98.145","0.005","90","","654.81","0.13","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(7aS,10S,11aR)-12,12-dimethyl-6,6-dioxo-3,4,9,10-tetrahydro-7H- 7a,10-methano- 2H-1,3-oxazino[2,3-i][2,1]benzisothiazol-11(8H)-one","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0395","0.031","","","0.0731","0.0764","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017913","6.4612","0.0012","6.7246","0.0013","14.501","0.003","90","","102.151","0.003","90","","615.9","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C24 H32 F2 N2 O10 -","2","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural N-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0361","0.031","","","0.0726","0.0748","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017914","6.4579","0.0008","6.7248","0.0009","14.5052","0.0019","90","","102.364","0.002","90","","615.32","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C24 H32 F2 N2 O10 -","2","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural N-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0466","0.0366","","","0.0892","0.0967","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017985","7.16","0.0015","11.688","0.003","17.514","0.004","90","","94.535","0.003","90","","1461.1","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R)-3-(3-hydroxyphenyl)- N,N,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0277","0.0268","","","0.071","0.0716","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017986","7.16","0.003","11.688","0.005","17.526","0.008","90","","94.57","0.007","90","","1462","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S)-3-(3-hydroxyphenyl)- N,N,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0329","0.0308","","","0.0735","0.0745","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018016","8.9276","0.0003","11.3625","0.0004","16.5006","0.0006","90","","94.456","0.001","90","","1668.76","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-Geodin","(2R)-methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro[benzofuran-2,1'- cyclohexa-2',5'-diene]-2'-carboxylate","","- C17 H12 Cl2 O7 -","- C17 H12 Cl2 O7 -","- C68 H48 Cl8 O28 -","4","2","LG3050","Rønnest, Mads H.; Nielsen, Morten T.; Leber, Blanka; Mortensen, Uffe H.; Krämer, Alwin; Clausen, Mads H.; Larsen, Thomas O.; Harris, Pernille","(+)-Geodin from Aspergillus terreus","Acta Crystallographica Section C","2011","67","3","o125","o128","10.1107/S0108270111005816","","","0.71073","MoKα","","0.0587","0.0527","","","0.1381","0.1454","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018018","11.4071","0.0014","6.475","0.0008","16.961","0.002","90","","101.707","0.002","90","","1226.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","TIQdiphenylmethoxy","(1R,3S)-6,7-dimethoxy-3-(methoxydiphenylmethyl)-1-phenyl- 1,2,3,4-tetrahydroisoquinoline","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.0528","0.0429","","","0.1025","0.1084","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018019","11.045","0.01","17.008","0.015","18.489","0.015","90","","105.287","0.015","90","","3350","5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-BenzylTIQdiphenyltrimethylsilyl","(1R,3S)-2-benzyl-3-[diphenyl(trimethylsiloxy)methyl]- 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C40 H43 N O3 Si -","- C40 H43 N O3 Si -","- C160 H172 N4 O12 Si4 -","4","2","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.1025","0.0565","","","0.1072","0.1241","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018031","4.5374","0.0005","15.8837","0.0016","6.8993","0.0007","90","","100.185","0.004","90","","489.4","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-formamido-2-deoxy-β-D-glucopyranoside","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C16 H30 N2 O12 -","2","1","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-D-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0271","0.0271","","","0.0703","0.0703","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018080","7.4417","0.0006","25.3217","0.0018","9.8578","0.0007","90","","108.476","0.006","90","","1761.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-diaminopyrimidin-4-one dimethylformamide solvate hydrate (3/4/1)","","- C8 H16 N5.33 O2.67 -","- C8 H16 N5.33333 O2.66667 -","- C48 H96 N32 O16 -","6","3","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0558","0.0399","","","0.0809","0.0853","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018089","12.5606","0.0007","8.0425","0.0005","13.9139","0.0008","90","","102.002","0.003","90","","1374.84","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cholic acid‒pentan-3-one (1/1)","","- C29 H50 O6 -","- C29 H50 O6 -","- C58 H100 O12 -","2","1","BI3016","Kalf, Irmgard; Englert, Ulli","The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate","Acta Crystallographica Section C","2011","67","6","o206","o208","10.1107/S0108270111016933","","","0.71073","MoKα","","0.1284","0.0805","","","0.177","0.1998","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018131","4.09","0.0004","6.4482","0.0006","20.7828","0.0019","90","","91.151","0.002","90","","548","0.09","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","methyl 1-methyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C16 H20 N8 O2 S4 -","2","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0482","0.046","","","0.1215","0.1232","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018225","7.1493","0.0014","16.137","0.003","17.01","0.003","90","","92.95","0.03","90","","1959.8","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane- κ^2^P:P'][O-ethyl (4-methoxyphenyl)phosphonodithioato- κ^2^S,S']silver(I)] chloroform monosolvate]","","- C37 H39 Ag Cl3 O2 P3 S2 -","- C37 H39 Ag Cl3 O2 P3 S2 -","- C74 H78 Ag2 Cl6 O4 P6 S4 -","2","1","SF3156","Sun, Di; Huang, Rong-Bin","catena-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^P:P'][O-ethyl (4-methoxyphenyl)phosphonodithioato-κ^2^S,S']silver(I)] chloroform monosolvate]","Acta Crystallographica Section C","2011","67","9","m315","m317","10.1107/S010827011103438X","","","0.71073","MoKα","","0.042","0.038","","","0.0718","0.074","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018242","5.183","0.005","24.805","0.005","7.701","0.005","90","","103.51","0.005","90","","962.7","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Xanthinium hydrogen sulfate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-7-ium hydrogen sulfate monohydrate","","- C5 H8 N4 O7 S -","- C5 H8 N4 O7 S -","- C20 H32 N16 O28 S4 -","4","2","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.0301","0.0298","","","0.0794","0.0798","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018246","9.6736","0.0002","7.6203","0.0001","10.6303","0.0002","90","","107.142","0.002","90","","748.81","0.02","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Plumeridoid C","(2'R,3R,4R,4aS,7aR)-methyl 3-hydroxy-4'-[(S)-1-hydroxyethyl]-5'-oxo- 3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","FA3259","Waltenberger, Birgit; Rollinger, Judith M.; Griesser, Ulrich J.; Stuppner, Hermann; Gelbrich, Thomas","Plumeridoid C from the Amazonian traditional medicinal plant Himatanthus sucuuba","Acta Crystallographica Section C","2011","67","10","o409","o412","10.1107/S0108270111035761","","","1.5418","CuKα","","0.0295","0.0291","","","0.0799","0.0806","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018320","7","0.002","13.401","0.004","8.805","0.003","90","","95.183","0.004","90","","822.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate","","- C15 H17 Cl F6 Fe N P -","- C15 H17 Cl F6 Fe N P -","- C30 H34 Cl2 F12 Fe2 N2 P2 -","2","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.0906","0.0805","","","0.1994","0.2064","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018376","10.6277","0.0012","7.4514","0.0008","28.293","0.003","90","","95.603","0.009","90","","2229.9","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)imidazolidin-3-ium iodide salt","","- C24 H29 Fe I N2 -","- C24 H29 Fe I N2 -","- C96 H116 Fe4 I4 N8 -","4","2","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1H-imidazolidin-3-ium iodide and trans-bis(3-benzyl-1-ferrocenylmethyl-1H-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.0544","0.0362","","","0.0592","0.0635","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018390","7.0176","0.0014","18.026","0.004","12.906","0.003","90","","94.94","0.03","90","","1626.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethylammonium orotate‒orotic acid (3/1)","tris(dimethylammonium) tris(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate) 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C26 H37 N11 O16 -","- C26 H37 N11 O16 -","- C52 H74 N22 O32 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0809","0.0649","","","0.1549","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018439","9.2225","0.0004","11.2741","0.0005","13.0892","0.0005","90","","95.367","0.001","90","","1354.99","0.1","296","","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","2","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0372","0.0329","","","0.0879","0.0915","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018451","12.0615","0.0004","21.2567","0.0007","17.1877","0.0006","90","","90.529","0.003","90","","4406.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","N,N'-di-tert-butyl-N'',N''- dimethylphosphoric triamide","tert-butyl[(tert-butylamino)(dimethylamino)phosphoryl]amine","","- C10 H26 N3 O P -","- C10 H26.0005 N3 O P -","- C120 H312.006 N36 O12 P12 -","12","6","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new XP(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with X = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","0.71073","MoKα","","0.0961","0.0609","","0.1609","0.1347","0.1608","","","","","","0.9236","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018463","12.525","0.006","15.051","0.007","12.719","0.006","90","","106.241","0.01","90","","2302","1.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro- pentofuranosyl)-5-[6-(1-benzyl-1H-1,2,3-triazol-4-yl)hex-1- ynyl]pyrimidin-2(1H)-one","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","2","SF3166","Seela, Frank; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","A 2'-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit","Acta Crystallographica Section C","2012","68","4","o174","o178","10.1107/S0108270112010682","","","0.71073","MoKα","","0.0433","0.0361","","","0.089","0.0934","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018470","12.699","0.0004","5.891","0.0002","14.387","0.004","90","","110.855","0.002","90","","1005.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclododecylaminium cinnamate","","- C21 H33 N O2 -","- C21 H33 N O2 -","- C42 H66 N2 O4 -","2","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0504","","","","0.1236","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018481","9.492","0.008","9.735","0.008","16.289","0.013","90","","103.206","0.012","90","","1465","2","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,6-di-O-benzyl-1,3-O-benzylidene-2-O-(4-methoxybenzyl)- myo-5-inosose","","- C35 H34 O7 -","- C35 H34 O7 -","- C70 H68 O14 -","2","1","SF3168","Gurale, Bharat P.; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Chiral crystals from an achiral molecule: 4,6-di-O-benzyl-1,3-O-benzylidene-2-O-(4-methoxybenzyl)-myo-5-inosose","Acta Crystallographica Section C","2012","68","5","o183","o187","10.1107/S0108270112010001","","","0.71073","MoKα","","0.0809","0.0728","","","0.1347","0.1377","","","","","","1.256","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018492","13.07929","0.00017","5.82873","0.00008","16.314","0.0002","90","","107.31","0.0006","90","","1187.38","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S,5'R,8R,9S,10S,13S, 14S)-10,13-dimethyl-5'-(2-methylpropyl)tetradecahydro-6'H- spiro[cyclopenta[a]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2H)- dione","","- C26 H41 N O3 -","- C26 H41 N O3 -","- C52 H82 N2 O6 -","2","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0415","0.0402","","","0.1058","0.1071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018583","11.035","0.0003","10.1713","0.0003","11.8533","0.0003","90","","93.678","0.002","90","","1327.68","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","PH46 (S)-(-)-methylbenzylamine salt","(1S)-1-Phenylethanaminium 4-{[(1S,2S)-1-hydroxy-2,3-dihydro-1H,1'H- [2,2'-biinden]-2-yl]methyl}benzoate","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C68 H66 N2 O6 -","2","1","SK3440","Frampton, Christopher S.; Zhang, Tao; Scalabrino, Gaia A.; Frankish, Neil; Sheridan, Helen","(1S)-1-Phenylethanaminium 4-{[(1S,2S)-1-hydroxy-2,3-dihydro-1H,1'H-[2,2'-biinden]-2-yl]methyl}benzoate","Acta Crystallographica Section C","2012","68","8","o323","o326","10.1107/S0108270112031265","","","1.54178","CuKα","","0.0358","0.0354","","","0.0973","0.098","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018588","5.6353","0.0014","30.987","0.008","10.817","0.003","90","","95.232","0.004","90","","1881","0.9","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4,6-Tri-O-acetyl-1,2-O-[1-(exo-ethoxy)ethylidene]- β-D-mannopyranose 0.11-hydrate","","- C16 H24.22 O10.11 -","- C16 H24.222 O10.111 -","- C64 H96.888 O40.444 -","4","2","BI3042","Liu, Ya-Ling; Zou, Pei; Wu, Hao; Xie, Min-Hao; Luo, Shi-Neng","3,4,6-Tri-O-acetyl-1,2-O-[1-(exo-ethoxy)ethylidene]-β-D-mannopyranose 0.11-hydrate","Acta Crystallographica Section C","2012","68","9","o338","o340","10.1107/S0108270112032076","","","0.71073","MoKα","","0.0724","0.0483","","","0.0828","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018592","10.542","0.002","17.931","0.004","17.136","0.003","90","","107.51","0.03","90","","3089.1","1.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-D- threopentofuranosyl]thymine ethyl acetate 0.25-solvate","","- C32 H34 N2 O7.5 -","- C32 H34 N2 O7.5 -","- C128 H136 N8 O30 -","4","2","BI3048","Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong","{5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-D-threopentofuranosyl}thymine ethyl acetate 0.25-solvate","Acta Crystallographica Section C","2012","68","11","o472","o474","10.1107/S010827011204351X","","","0.71073","MoKα","","0.0621","0.0557","","","0.1457","0.151","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018641","18.907","0.008","7.543","0.003","9.173","0.004","90","","101.88","0.03","90","","1280.2","0.9","292","","292","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-(-)-4-Fluoro-N-(1-hydroxypropan-2-yl)isoquinoline-5- sulfonamide","","- C12 H13 F N2 O3 S -","- C12 H13 F N2 O3 S -","- C48 H52 F4 N8 O12 S4 -","4","2","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.054","","","","0.1587","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018672","9.0547","0.0007","8.2304","0.0005","9.3016","0.0007","90","","92.76","0.002","90","","692.39","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-1-phenylethanaminium (R)-thiomalate","(S)-1-phenylethanaminium (R)-3-carboxy-2-sulfanylpropanoate","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","UK3047","Igawa, Kosuke; Yoshinari, Nobuto; Konno, Takumi","An optically resolved crystal of thiomalate: (S)-1-phenylethanaminium (R)-thiomalate","Acta Crystallographica Section C","2012","68","9","o332","o334","10.1107/S0108270112032933","","","0.71075","MoKα","","0.051","0.0414","","","0.0942","0.1066","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018699","13.1578","0.0006","4.6755","0.0002","23.4908","0.0011","90","","95.112","0.002","90","","1439.39","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-O-β-D-mannopyranosyl β-D-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","2","CU3015","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-O-β-D-mannopyranosyl β-D-xylopyranoside","Acta Crystallographica Section C","2012","68","12","o502","o506","10.1107/S0108270112046689","","","1.54178","CuKα","","0.0325","0.0309","","","0.0779","0.0792","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018717","11.716","0.003","7.1266","0.0014","13.288","0.002","90","","97.423","0.017","90","","1100.2","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-dibromido[(1R,2R)-cyclohexane-1,2-diamine- κ^2^N,N']platinum(II)}","","- C6 H14 Br2 N2 Pt -","- C6 H14 Br2 N2 Pt -","- C24 H56 Br8 N8 Pt4 -","4","2","LN3152","Pažout, Richard; Maixner, Jaroslav; Holakovská, Jitka; Dušek, Michal; Kačer, Petr","A new platinum‒bromine cyclohexanediamine complex from the family of cancer cytostatics","Acta Crystallographica Section C","2012","68","12","m340","m343","10.1107/S0108270112044770","","","1.54184","CuKα","","0.036","0.0335","","","0.0399","0.0403","","","","","","2.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018757","9.219","0.003","5.815","0.002","12.263","0.004","90","","99.74","0.03","90","","647.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl (2S)-2-[(tert-butoxycarbonyl)amino]butanedioate","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C22 H38 N2 O12 -","2","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(tert-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0347","0.0303","","","0.0767","0.0784","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018775","8.7869","0.0008","8.2847","0.001","9.8588","0.001","90","","95.718","0.008","90","","714.12","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[{μ~3~-5-[(3aS,4S,6aR)-2-oxohexahydro-1H- thieno[3,4-d]imidazol-4-yl]pentanoato}silver(I)] trihydrate]","","- C10 H21 Ag N2 O6 S -","- C10 H21 Ag N2 O6 S -","- C20 H42 Ag2 N4 O12 S2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0235","0.0227","","","0.0608","0.0611","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018777","15.113","0.0007","9.6028","0.0003","28.667","0.0013","90","","90.946","0.004","90","","4159.8","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","catena-poly[[silver(I)-bis{μ~2~-5-[(3aS,4S,6aR)- 2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoato}] hexafluoridophosphate]","","- C20 H32 Ag F6 N4 O6 P S2 -","- C20 H32 Ag F6 N4 O6 P S2 -","- C120 H192 Ag6 F36 N24 O36 P6 S12 -","6","3","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0496","0.0437","","","0.107","0.1092","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018778","9.6902","0.0011","14.6452","0.0012","9.8604","0.0012","90","","91.167","0.01","90","","1399","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","catena-poly[[[{5-[(3aS,4S,6aR)- 2-oxohexahydro-1H-thieno[3,4-d]imidazol-4- yl]pentanoato}silver(I)]-μ~2~-{5-[(3aS,4S,6aR)- 2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoato}] hexafluoridoantimonate]","","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C40 H64 Ag2 F12 N8 O12 S4 Sb2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0281","0.0261","","","0.0637","0.0642","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018818","8.1032","0.0003","10.0065","0.0003","8.8704","0.0004","90","","90.609","0.004","90","","719.21","0.05","294.42","0.1","294.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3',5'-diacetyl-O^2^,2-cyclouridine","2,2'-Anhydro-1-(2'-deoxy-3',5'-di-O-acety-β-D- arabinofuranosyl)uracil","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C26 H28 N4 O14 -","2","1","FN3123","Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan","2,2'-Anhydro-1-(3',5'-di-O-acetyl-β-D-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-endo furanosyl conformation","Acta Crystallographica Section C","2013","69","3","282","284","10.1107/S0108270113000395","","","0.7107","MoKα","","0.0468","0.0394","","","0.083","0.0913","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018897","10.6206","0.0006","7.9939","0.0005","22.3916","0.0013","90","","92.884","0.001","90","","1898.64","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Frovatriptan succinate monohydrate","(R)-(+)-6-Carbamoyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-aminium 3-carboxypropanoate monohydrate","","- C18 H25 N3 O6 -","- C18 H25 N3 O6 -","- C72 H100 N12 O24 -","4","2","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0745","0.0659","","","0.1524","0.1573","","","","","","1.141","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018898","8.7239","0.0011","18.662","0.002","10.127","0.0013","90","","96.098","0.002","90","","1639.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(frovatriptan) succinate trihydrate","Bis[(R)-(+)-6-carbamoyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-aminium] succinate trihydrate","","- C32 H46 N6 O9 -","- C32 H46 N6 O9 -","- C64 H92 N12 O18 -","2","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0441","0.041","","","0.0996","0.1018","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018903","7.3561","0.0001","14.2394","0.0002","13.9103","0.0002","90","","90.077","0.001","90","","1457.05","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-methamphetamine tetrachloaurate(III)","D-Methyl(1-phenylpropan-2-yl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N -","- C10 H16 Au Cl4 N -","- C40 H64 Au4 Cl16 N4 -","4","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the ortho-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.029","0.029","","","0.071","0.071","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018922","15.6553","0.0002","9.0565","0.0001","8.5568","0.0001","90","","90.017","0.001","90","","1213.2","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium aluminium silicate","","- Al K O4 Si -","- Al K0.958167 O4 Si -","- Al12 K11.498 O48 Si12 -","12","6","QS3022","Kremenović, Aleksandar; Lazic, Biljana; Krüger, Hannes; Tribus, Martina; Vulić, Predrag","Monoclinic structure and nonstoichiometry of `KAlSiO~4~-O1'","Acta Crystallographica Section C","2013","69","4","334","336","10.1107/S0108270113006069","","","0.71073","MoKα","","0.0435","0.0398","","","0.0543","0.0552","","","","","","1.44","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018951","5.3101","0.0012","29.081","0.007","6.6757","0.0015","90","","90.829","0.003","90","","1030.8","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolyl-L-serine","(S)-3-Hydroxy-2-[(S)-pyrrolidine-2-carboxamido]propanoic acid","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","2","FA3314","Görbitz, Carl Henrik; Yadav, Vitthal N.","A water wire in L-prolyl-L-serine monohydrate","Acta Crystallographica Section C","2013","69","5","556","559","10.1107/S0108270113010299","","","0.71073","MoKα","","0.0591","0.0435","","","0.1029","0.1099","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018952","10.454","0.002","35.61","0.007","14.408","0.003","90","","95.61","0.03","90","","5337.9","1.9","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoic acid 4-benzyloxy-6-(2-chloroacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl ester; acetic acid 5-azido-4-benzyloxy-3-(9H-fluoren-9-ylmethoxycarbonyloxy)-6-methoxytetrahydr-pyran-2-ylmethyl ester","4-Methoxyphenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-4-O-(fluoren-9-ylmethoxycarbonyl)-α-D-glucopyranosyl]-2-O-benzoyl-3-O-benzyl-6-O-chloroacetyl-β-D-glucopyranoside","","- C59 H56 Cl N3 O16 -","- C59 H56 Cl N3 O16 -","- C236 H224 Cl4 N12 O64 -","4","2","FA3316","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.","Translationally related nearly identical molecules: 4-methoxyphenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-4-O-(fluoren-9-ylmethoxycarbonyl)-α-D-glucopyranosyl]-2-O-benzoyl-3-O-benzyl-6-O-chloroacetyl-β-D-glucopyranoside","Acta Crystallographica Section C","2013","69","6","679","682","10.1107/S010827011301367X","","","1.54178","CuKα","","0.084","0.0574","","","0.133","0.1554","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018960","11.459","0.003","5.7077","0.0013","15.247","0.003","90","","103.827","0.003","90","","968.3","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-Benzyl-3-[(2R,3S)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2S,3S)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(S)-hydroxycholestrol, and its synthetic precursor (R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.0416","0.0344","","","0.0829","0.0868","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018973","16.156","0.0004","8.4129","0.0001","20.3545","0.0006","90","","109.934","0.001","90","","2600.8","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(1S,2R,R~N~)-2,4-Di-tert-butyl-6-{[(1-oxido-1-\ phenylpropan-2-yl)(methyl)amino]methyl}phenolato](methanol)-cis-\ dioxidomolybdenum(VI)‒[(1S,2R,S~N~)-2,4-di-tert-\ butyl-6-{[(1-oxido-1-phenylpropan-2-\ yl)(methyl)amino]methyl}phenolato](methanol)-cis-dioxidomolybdenum(VI)","","- C26 H39 Mo N O5 -","- C26 H39 Mo N O5 -","- C104 H156 Mo4 N4 O20 -","4","2","LG3109","Sillanpää, Reijo; Hänninen, Mikko M.","A cocrystal of two Mo^VI^ complexes bearing different diastereomers of the 2,4-di-tert-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine","Acta Crystallographica Section C","2013","69","5","509","512","10.1107/S0108270113010652","","","0.71073","MoKα","","0.042","0.0373","","","0.082","0.0845","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018980","6.9527","0.0011","6.5631","0.001","10.4284","0.0019","90","","97.094","0.014","90","","472.22","0.14","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Serinium semi-maleate","L-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of L- and DL-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0603","0.039","","","0.0646","0.0699","","","","","","0.932","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019006","5","0.0002","17.1211","0.0006","6.4421","0.0003","90","","105.864","0.004","90","","530.48","0.04","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Ethoxyquinoline N-oxide dihydrate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","TP3021","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.; Morrison, Catriona A.","Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline N-oxide dihydrate","Acta Crystallographica Section C","2013","69","6","665","670","10.1107/S0108270113011979","","","0.71073","MoKα","","0.0406","0.035","","","0.0757","0.0793","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019051","4.7546","0.0005","6.1071","0.0014","25.541","0.005","90","","93.686","0.012","90","","740.1","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 4-[2-(4-chlorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 Cl N3 O5 -","- C15 H12 Cl N3 O5 -","- C30 H24 Cl2 N6 O10 -","2","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0449","0.0393","","","0.0921","0.0959","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019117","12.0523","0.0008","28.1562","0.0019","14.5558","0.001","90","","90.022","0.003","90","","4939.5","0.6","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,3aS,5R,6R,6aS)-5-[methoxy(methyl)amino]-3,6-bis[(triethylsilyl)oxy]-hexahydrofuro[3,2-b]furan-2-one","","- C20 H41 N O6 Si2 -","- C20 H41 N O6 Si2 -","- C160 H328 N8 O48 Si16 -","8","4","EB5024","Schombs, Matthew W.; Davis, Ryan A.; Fettinger, James C.; Gervay-Hague, Jacquelyn","A fused [3.3.0]-neoglycoside lactone derived from glucuronic acid","Acta Crystallographica Section C","2013","69","9","1062","1066","10.1107/S0108270113013723","","","1.54178","CuKα","","0.047","0.0465","","","0.1158","0.1164","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019131","8.9763","0.0009","7.4575","0.0007","11.0026","0.0011","90","","97.406","0.002","90","","730.38","0.12","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-O-β-D-xylopyranosyl β-D-mannopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C24 H44 O20 -","2","1","FN3140","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-O-β-D-xylopyranosyl β-D-mannopyranoside, a core disaccharide of an antifreeze glycolipid","Acta Crystallographica Section C","2013","69","9","1047","1050","10.1107/S0108270113019021","","","1.54184","CuKα","","0.0264","0.0261","","","0.0687","0.0688","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019163","5.5944","0.0004","17.9908","0.0014","18.3844","0.0015","90","","92.22","0.001","90","","1849","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zolmitriptan hydrogen oxalate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl}ethyl)azanium hydrogen oxalate","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","2","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0381","0.0356","","","0.0965","0.0991","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019196","9.5651","0.001","16.6002","0.0017","11.3351","0.0012","90","","108.4","0.001","90","","1707.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[bis{4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}cobalt(II)]-bis[μ-1,3-bis(pyridin-4-yl)propane]]","","- C33 H32 Co N10 O4 S2 -","- C33 H32 Co N10 O4 S2 -","- C66 H64 Co2 N20 O8 S4 -","2","1","WQ3046","Zhao, Ya-Yun; Zhao, Xiu-Hua; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2013","69","10","1096","1099","10.1107/S010827011302297X","","","0.71073","MoKα","","0.041","0.0338","","","0.0783","0.0826","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019244","6.2876","0.0003","10.7132","0.0005","6.7764","0.0003","90","","111.143","0.001","90","","425.73","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Acetylpyrrolidine-2-carboxylic acid monohydrate","N-Acetyl-L-proline monohydrate","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of N-acetyl-L-proline monohydrate and N-benzyl-L-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.032","0.0249","","","0.0667","0.069","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019245","8.7552","0.0007","10.6254","0.0008","11.2816","0.0008","90","","93.737","0.002","90","","1047.27","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-L-proline","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","2","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of N-acetyl-L-proline monohydrate and N-benzyl-L-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.0375","0.0332","","","0.0867","0.0902","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019253","11.4579","0.0002","9.83146","0.00018","13.8027","0.0003","90","","95.6581","0.001","90","","1547.27","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-2-(Hydroxymethyl)pyrrolidin-1-ium (5R,6S,11R,12S)-8-carboxy-5,6,11,12-tetrahydro-5,12:6,11-bis([1,2]benzeno)dibenzo[a,e][8]annulene-2-carboxylate dichloromethane monosolvate","(S)-2-(Hydroxymethyl)pyrrolidin-1-ium 5-carboxyheptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-2,4,6,8,11(16),12,14,17(22),18,20,23(28),24,26-tridecaene-13-carboxylate dichloromethane monosolvate","","- C36 H33 Cl2 N O5 -","- C36 H33 Cl2 N O5 -","- C72 H66 Cl4 N2 O10 -","2","1","SK3506","Kawanami, Yuko; Tanaka, Hidekazu; Mizoguchi, Jun-ichi; Kanehisa, Nobuko; Fukuhara, Gaku; Nishijima, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Absolute configuration determination of the anti-head-to-head photocyclodimer of anthracene-2-carboxylic acid through cocrystallization with L-prolinol","Acta Crystallographica Section C","2013","69","11","1411","1413","10.1107/S0108270113028461","","","1.54187","CuKα","","","0.0504","","","","0.1371","","","","","","1.075","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019257","6.7298","0.0004","11.4266","0.0007","15.2522","0.001","90","","102.292","0.001","90","","1145.99","0.12","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","","- C15 H21 N6 Nd O18 -","- C15 H21 N6 Nd O18 -","- C30 H42 N12 Nd2 O36 -","2","1","UK3083","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","A dense hydrogen-bonding network and an unusually large packing index in triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","Acta Crystallographica Section C","2013","69","11","1378","1382","10.1107/S0108270113027881","","","0.71073","MoKα","","0.0217","0.0206","","","0.0461","0.0467","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019276","12.7258","0.0014","14.4642","0.0016","4.4683","0.0011","90","","92.528","0.017","90","","821.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen N-acetyl-L-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen N-acetyl-L-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.0112","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019287","11.1034","0.0007","15.1216","0.0009","14.5301","0.0009","90","","109.965","0.001","90","","2293","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(dtbpe)NiCl2","[1,2-Bis(di-tert-butylphosphanyl)ethane-κ^2^P,P']dichloridonickel(II)","","- C18 H40 Cl2 Ni P2 -","- C18 H40 Cl2 Ni P2 -","- C72 H160 Cl8 Ni4 P8 -","4","2","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0592","0.0445","","","0.0892","0.0959","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019294","12.5153","0.0009","14.1333","0.0011","14.6716","0.001","90","","96.863","0.004","90","","2576.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B acetone hemisolvate 0.11-hydrate","(8R,9S,10R,13S,14R,16S,17R,20S,22R,24R,25S)-16,24-Cyclo-13,14-secoergosta-2,5-diene-1,15-dioxo-14:17,14:27-diepoxy-13-hydroxy-18,26-dioic acid 18:20,26:22-di-γ-lactone δ-lactone acetone hemisolvate 0.11-hydrate","","- C29.5 H33.22 O9.61 -","- C29.5 H33.216 O9.608 -","- C118 H132.864 O38.432 -","4","2","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese Physalis angulata L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54178","CuKα","","0.0699","0.0558","","","0.136","0.1473","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019295","12.4859","0.0004","14.1716","0.0004","14.6559","0.0007","90","","96.829","0.003","90","","2574.89","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B epoxyphysalin B acetone monosolvate","Physalin B epoxyphysalin B acetone monosolvate","","- C59 H66 O19.67 -","- C59 H66 O19.669 -","- C118 H132 O39.338 -","2","1","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese Physalis angulata L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54184","CuKα","","0.0739","0.0638","","","0.1684","0.1752","","","","","","1.056","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019315","6.616","0.003","15.683","0.006","8.545","0.004","90","","108.037","0.005","90","","843","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Bis(1H-imidazol-1-yl)-9,9-dimethyl-9H-fluorene","","- C21 H18 N4 -","- C21 H18 N4 -","- C42 H36 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0634","0.0532","","","0.1083","0.1122","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019331","8.314","0.003","11.505","0.003","8.418","0.002","90","","90.25","0.02","90","","805.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S)-Bicyclo[2.2.1]-heptan-3-benzamido-3-carbomethoxy-2-carboxylic acid","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Conformationally Restricted Aspartic Acid Analogue","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1252","","10.1107/S0108270195016106","","","0.71073","MoKα","","0.0492","0.0378","","0.0999","0.0923","","","","1.072","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019344","9.217","0.003","13.589","0.004","11.237","0.003","90","","92.47","0.02","90","","1406.1","0.7","173","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O11 P S -","- C23 H35 N4 O11 P S -","- C46 H70 N8 O22 P2 S2 -","2","1","","Szabó, T.; Stawinski, J.; Carlson, S.; Norrestam, R.","The SP Diastereomer of a Dinucleoside Methylphosphonate Methanol Solvate Containing Thymine and N3-Methyl-4-thiothymine Bases","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","411","","10.1107/S0108270194006281","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.76","1.76","","","","","has coordinates,has disorder","190974","2020-10-21","18:00:00",""
"2019353","5.4484","0.0002","4.8339","0.0002","8.1407","0.0002","90","","107.191","0.002","90","","204.823","0.013","90","5","90","5","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium sulfate monohydrate","","- H2 Li2 O5 S -","- H2 Li2 O5 S -","- H4 Li4 O10 S2 -","2","1","SH5086","Schmidt, O.; Gorfman, S.; Bohatý, L.; Neumann, E.; Engelen, B.; Pietsch, U.","Investigations of the bond-selective response in a piezoelectric Li2SO4·H2O crystal to an applied external electric field","Acta Crystallographica Section A Foundations of Crystallography","2009","65","4","267","275","10.1107/S0108767309015566","","","0.71073","MoKα","","0.0189","0.0143","","0.0246","","0.0179","","","","","","5.18","","","","has coordinates","192315","2020-10-21","18:00:00",""
"2019407","10.014","0.002","9.758","0.002","13.667","0.003","90","","98.668","0.008","90","","1320.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[dichloridomanganese(II)]-μ-1,1-diphenyl-3,3'-[(1R,2R)-cyclohexane-1,2-diylbis(azaniumylylidene)]dibut-1-en-1-olate-κ^2^O:O']","","- C26 H30 Cl2 Mn N2 O2 -","- C26 H30 Cl2 Mn N2 O2 -","- C52 H60 Cl4 Mn2 N4 O4 -","2","1","EM3065","Zhang, Qi-Long; Pan, Lu-Tai","A one-dimensional coordination polymer formed from the reaction of 1,1-diphenyl-3,3'-[(1R,2R)-cyclohexane-1,2-diylbis(azanediyl)]dibut-2-en-1-one with MnCl~2~·4H~2~O","Acta Crystallographica Section C","2014","70","1","16","18","10.1107/S2053229613032531","","","0.71073","MoKα","","0.0485","0.0353","","","0.0653","0.0703","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019468","11.0975","0.0006","8.4039","0.0003","11.3732","0.0006","90","","115.564","0.007","90","","956.85","0.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua(μ-benzene-1,2-dicarboxylato-κ^3^O^1^,O^2^:O^1^)(μ-4,4'-bipyridine-κ^2^N:N')cobalt(II)] trihydrate]","","- C18 H20 Co N2 O8 -","- C18 H19 Co N2 O7.5 -","- C36 H38 Co2 N4 O15 -","2","1","YF3058","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Cukiernik, Fabio D.; Baggio, Ricardo","The structure of {[Co(pht)(bpy)(H~2~O)]·3H~2~O}~n~ (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability","Acta Crystallographica Section C","2014","70","5","440","444","10.1107/S2053229614006950","","","0.71073","MoKα","","0.0377","0.0325","","","0.0794","0.0836","","","","","","0.954","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019469","7.0219","0.0014","14.955","0.003","8.9722","0.0018","90","","91.19","0.03","90","","942","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(1H-pyrazol-2-ium) pentacyanido(1H-pyrazole-κN^2^)ferrate(III)","","- C14 H14 Fe N11 -","- C14 H14 Fe N11 -","- C28 H28 Fe2 N22 -","2","1","SF3226","Wang, Yu-Feng; Yu, Chun-Hua; Zhu, Run-Qiang","An iron(III) complex salt containing pyrazole as both ligand and counter-ion: bis(1H-pyrazol-2-ium) pentacyanido(1H-pyrazole-κN^2^)ferrate(III)","Acta Crystallographica Section C","2014","70","5","437","439","10.1107/S2053229614007128","","","0.71073","MoKα","","0.0359","0.0332","","","0.0696","0.071","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019482","8.8053","0.0003","10.9821","0.0004","9.008","0.0006","90","","118.51","0.003","90","","765.45","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6R*,11R*)-5-Acetyl-11-ethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.0455","0.036","","","0.0772","0.0807","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019503","6.001","0.0005","30.802","0.0017","8.798","0.0004","90","","90.12","0.004","90","","1626.24","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalanine","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","4","SK3518","Mossou, Estelle; Teixeira, Susana C. M.; Mitchell, Edward P.; Mason, Sax A.; Adler-Abramovich, Lihi; Gazit, Ehud; Forsyth, V. Trevor","The self-assembling zwitterionic form of L-phenylalanine at neutral pH","Acta Crystallographica Section C","2014","70","3","326","331","10.1107/S2053229614002563","","","0.61995","synchrotron","","0.0776","0.0641","","","0.164","0.1696","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019550","7.1967","0.0002","15.1383","0.0004","11.9441","0.0003","90","","102.786","0.003","90","","1268.99","0.06","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","S-(2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl)-2,3-\ dichlorophenylacetothiohydroxymate","","- C21 H23 Cl2 N O10 S -","- C21 H23 Cl2 N O10 S -","- C42 H46 Cl4 N2 O20 S2 -","2","1","","Vo, Quan V.; Trenerry, Craige; Rochfort, Simone; White, Jonathan; Hughes, Andrew B.","Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate","Acta Crystallographica Section C","2014","70","6","588","594","10.1107/S2053229614009115","","","0.7107","MoKα","","0.036","0.0312","","","0.0665","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019592","4.4743","0.0011","29.757","0.007","6.1706","0.0015","90","","97.774","0.008","90","","814","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-nitro-o-phenylenediamine hydrochloride","2-Amino-5-nitroanilinium chloride","","- C6 H8 Cl N3 O2 -","- C6 H8 Cl N3 O2 -","- C24 H32 Cl4 N12 O8 -","4","2","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0733","0.0493","","","0.0945","0.1016","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019637","5.3473","0.0011","13.073","0.002","8.408","0.005","90","","103.88","0.03","90","","570.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-6-Oxo-1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C22 H26 N2 O6 S2 -","2","1","CU3059","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Marchalín, Štefan","Electronic structure, novel synthesis, and O—H···O and C—H···O interactions in two 6-oxopiperidine-2-carboxylic acid derivatives","Acta Crystallographica Section C","2014","70","8","817","822","10.1107/S2053229614016301","","","0.71073","MoKα","","0.0271","0.0244","","","0.0575","0.0588","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019650","10.316","0.001","19.7793","0.0019","10.6749","0.0011","90","","118.437","0.002","90","","1915.3","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[di-μ~2~-acetato-1:2κ^2^O:O';3:4κ^2^O:O'-tetrakis[μ~3~-(pyridin-2-yl)methanolato-κ^2^N:O]-1:2:4κ^4^N,O:O:O;2:3:4κ^4^N,O:O:O;1:2:3κ^4^O:O:N,O;1:3:4κ^4^O:O:N,O-tetracopper(II)]-di-μ~2~-diacetamidato-1:4'κ^2^N^1^:N^5^;3:2'κ^2^N^1^:N^5^] acetonitrile monosolvate]","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","BG3179","Lv, Hong-Mei; Wang, Su-Na; Li, Da-Cheng; Dou, Jian-Min","A one-dimensional coordination polymer with a capped [Cu~4~O~4~] cubane core assembled from 2-(hydroxymethyl)pyridine","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614016581","","","0.71073","MoKα","","0.0621","0.0467","","","0.1078","0.116","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019652","10.002","0.002","9.0293","0.0018","39.251","0.008","90","","95.17","0.03","90","","3530.4","1.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(1R,1'R,2R,2'R)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane](η^4^-norbornadiene)rhodium(I) tetrafluoroborate","","- C41 H44 B F4 P2 Rh -","- C41 H44 B F4 P2 Rh -","- C164 H176 B4 F16 P8 Rh4 -","4","2","EG3166","Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in asymmetric homogeneous hydrogenation","Acta Crystallographica Section C","2014","70","10","941","944","10.1107/S205322961401910X","","","0.71073","MoKα","","0.0781","0.0463","","","0.0951","0.1026","","","","","","0.833","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019653","10.2285","0.0002","13.9823","0.0003","14.5131","0.0004","90","","108.265","0.0012","90","","1971.06","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[(1R,1'R,2R,2'R)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane][η^4^-(Z,Z)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate dichloromethane monosolvate","","- C43 H50 B Cl2 F4 P2 Rh -","- C43 H50 B Cl2 F4 P2 Rh -","- C86 H100 B2 Cl4 F8 P4 Rh2 -","2","1","EG3166","Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in asymmetric homogeneous hydrogenation","Acta Crystallographica Section C","2014","70","10","941","944","10.1107/S205322961401910X","","","0.71073","MoKα","","0.0215","0.0201","","","0.0474","0.0481","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019689","5.3891","0.0003","28.3231","0.0013","9.2503","0.0004","90","","95.434","0.003","90","","1405.58","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2(-4-Phenoxyphenylmethyl)thiirane","(R)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C60 H56 O12 S8 -","4","2","FA3348","Lee, Mijoon; Hesek, Dusan; Noll, Bruce C.; Oliver, Allen G.; Mobashery, Shahriar","Enantiomers of a selective gelatinase inhibitor: (R)- and (S)-2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane","Acta Crystallographica Section C","2014","70","11","1003","1006","10.1107/S2053229614021214","","","1.54178","CuKα","","0.0457","0.0378","","","0.092","0.0966","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019690","5.3887","0.0003","28.3506","0.0012","9.2463","0.0004","90","","95.463","0.003","90","","1406.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","(S)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C60 H56 O12 S8 -","4","2","FA3348","Lee, Mijoon; Hesek, Dusan; Noll, Bruce C.; Oliver, Allen G.; Mobashery, Shahriar","Enantiomers of a selective gelatinase inhibitor: (R)- and (S)-2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane","Acta Crystallographica Section C","2014","70","11","1003","1006","10.1107/S2053229614021214","","","1.54178","CuKα","","0.0616","0.0536","","","0.1392","0.1427","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019702","4.8131","0.0008","7.787","0.001","7.9262","0.0011","90","","107.729","0.012","90","","282.96","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[(μ~2~-glycine-κ^2^O:O')(μ~4~-sulfato-κ^4^O:O':O'':O'')copper(II)],","","- C2 H5 Cu N O6 S -","- C2 H5 Cu N O6 S -","- C4 H10 Cu2 N2 O12 S2 -","2","1","SK3562","Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan","In situ single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer catena-poly[[diaqua(sulfato)copper(II)]-μ~2~-glycine] into the two-dimensional polymer poly[μ~2~-glycine-μ~4~-sulfato-copper(II)]","Acta Crystallographica Section C","2014","70","11","1057","1063","10.1107/S2053229614021123","","","0.71073","MoKα","","0.0693","0.0559","","","0.1263","0.1317","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019706","15.285","0.003","5.7077","0.0011","16.907","0.003","90","","98.912","0.005","90","","1457.2","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[bis(dimethylformamide-κO)cadmium(II)]-bis(μ-diphenylphosphinato-κ^2^O:O')]","","- C30 H34 Cd N2 O6 P2 -","- C30 H34 Cd N2 O6 P2 -","- C60 H68 Cd2 N4 O12 P4 -","2","1","YP3082","Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.","One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands","Acta Crystallographica Section C","2014","70","11","1069","1074","10.1107/S2053229614022256","","","0.71073","MoKα","","0.0695","0.0482","","","0.0976","0.1148","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019708","9.0358","0.0005","9.0395","0.0004","11.4988","0.0007","90","","111.298","0.006","90","","875.07","0.09","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","Hobartine","(1R)-3-[(1S,5S)-(4,4,8-Trimethylbicyclo[3.3.1]non-7-en-2-yl)methyl]-2,3-dihydro-1H-indole","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","FN3181","Paz Robles, Cristian; Badilla Vidal, Natalia; Suarez, Sebastián; Baggio, Ricardo","Hobartine: a tetracyclic indole alkaloid extracted from Aristotelia chilensis (maqui)","Acta Crystallographica Section C","2014","70","11","1075","1078","10.1107/S205322961402258X","","","0.71073","MoKα","","0.0684","0.0479","","","0.1207","0.1395","","","","","","0.842","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019833","11.92","0.002","6.7919","0.0013","12.144","0.003","90","","101.659","0.006","90","","962.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2R,4R,9S,11S,12R)-9α-Hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C19 H29 N O4 S -","- C19 H29 N O4 S -","- C38 H58 N2 O8 S2 -","2","1","HB7355","Benharref, Ahmed; Akssira, Mohamed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of (1S,2R,4R,9S,11S,12R)-9α-hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o140","","10.1107/S205698901500170X","","","0.71073","MoKα","","0.0334","0.0314","","","0.0811","0.0829","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019834","7.2944","0.0005","7.1464","0.0005","9.2736","0.0007","90","","101.546","0.004","90","","473.64","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[silver(I)-μ-L-tyrosinato-κ^2^O:N]","","- C9 H10 Ag N O3 -","- C9 H10 Ag N O3 -","- C18 H20 Ag2 N2 O6 -","2","1","IM2459","Yousaf, Aqsa; Tahir, Muhammad Nawaz; Rauf, Abdul; Awan, Shafique Ahmad; Ahmad, Saeed","Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N]","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m50","","10.1107/S2056989015001905","","","0.71073","MoKα","","0.0237","0.0222","","","0.0512","0.052","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019852","10.85","0.01","9.51","0.009","11.2","0.011","90","","94.85","0.02","90","","1151.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-{N-[N-Acetyl-(S)-leucyl]-(S)-leucyl}norleucinal","","- C20 H37 N3 O4 -","- C20 H37 N3 O4 -","- C40 H74 N6 O8 -","2","1","GK2625","Czerwinski, Andrzej; Basava, Channa; Dauter, Miroslawa; Dauter, Zbigniew","Crystal structure ofN-{N-[N-acetyl-(S)-leucyl]-(S)-leucyl}norleucinal (ALLN), an inhibitor of proteasome","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","254","","10.1107/S2056989015002091","","","0.6199","synchrotron","","0.0417","0.0412","","","0.1142","0.115","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019859","9.9727","0.0015","31.971","0.005","10.2162","0.0015","90","","110.022","0.002","90","","3060.4","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,3-Bis(diphenylphosphanyl)propane-κ^2^P,P'](N,N'-dimethylthiourea-κS)(thiocyanato-κN)copper(I)","","- C31 H34 Cu N3 P2 S2 -","- C31 H34 Cu N3 P2 S2 -","- C124 H136 Cu4 N12 P8 S8 -","4","2","LH5751","Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira","Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m61","","10.1107/S2056989015002479","","","0.71073","MoKα","","0.0511","0.0454","","","0.1084","0.1106","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019869","11.2986","0.0003","4.8997","0.0001","21.6179","0.0005","90","","102.636","0.001","90","","1167.78","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyloxycarbonyl-L-valyl-L-tyrosine methyl ester","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C46 H56 N4 O12 -","2","1","YF3079","Nicholas, Sumesh","The peptide NCbz-Val-Tyr-OMe and aromatic π‒π interactions","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002739","","","0.71073","MoKα","","0.046","0.0355","","","0.0897","0.0985","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019871","6.6678","0.0004","11.068","0.0006","14.4219","0.0008","90","","91.925","0.002","90","","1063.72","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","captopril disulfide","1,1'-{Disulfanediylbis[(2S)-2-methyl-1-oxopropane-3,1-diyl]}bis-L-proline","","- C18 H28 N2 O6 S2 -","- C18 H28 N2 O6 S2 -","- C36 H56 N4 O12 S4 -","2","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0414","0.0411","","","0.1051","0.1054","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019895","6.2201","0.0006","22.964","0.002","16.8626","0.0016","90","","92.879","0.008","90","","2405.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8,10,12-Triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate","","- C23 H30 N6 O6 -","- C23 H30 N6 O6 -","- C92 H120 N24 O24 -","4","2","LG3159","Rivera, Augusto; Uribe, Juan Manuel; Ríos-Motta, Jaime; Osorio, Hector Jairo; Bolte, Michael","Evidence for stereoelectronic effects in the N—C—N group of 8,10,12-triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate from the protonation of aminal (2R,7R)-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane: X-ray and natural bond orbital analysis","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004829","","","0.71073","MoKα","","0.0611","0.044","","","0.0999","0.1065","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019902","8.2892","0.001","8.3401","0.0007","11.0225","0.0013","90","","108.75","0.013","90","","721.58","0.15","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dendrocarbin A","(1R,5aS,9aS,9bR)-1-Hydroxy-6,6,9a-\ trimethyldodecahydronaphtho[1,2-c]furan-3-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","YP3088","Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004994","","","0.71073","MoKα","","0.0705","0.0429","","","0.0852","0.0969","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019929","10.5197","0.0005","6.7783","0.0004","15.039","0.0007","90","","103.807","0.004","90","","1041.38","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-O-[1-(2-Fluorophenyl)-4-methoxypiperidin-4-yl]‒β-D-(1'R,2'R,3'R,4'R)-uridine","","- C21 H26 F N3 O7 -","- C21 H26 F N3 O7 -","- C42 H52 F2 N6 O14 -","2","1","FP3005","Kruszynski, Rafal; Czestkowski, Wojciech","The first structurally analysed nucleic acid building block containing the Reese protecting group: 2'-O-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]-β-D-(1'R,2'R,3'R,4'R)-uridine","Acta Crystallographica Section C","2015","71","5","402","406","10.1107/S2053229615006646","","","0.71073","MoKα","","0.0284","0.0281","","","0.0706","0.0708","","","","","","1.084","","","","has coordinates,has Fobs","136355","2020-10-21","18:00:00",""
"2019944","9.3993","0.0003","4.8638","0.00013","13.2395","0.0004","90","","105.249","0.003","90","","583.95","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Argininium phosphite","L-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","L-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0363","0.0317","","","0.0782","0.082","","","","","","1.058","","","","has coordinates,has Fobs","136365","2020-10-21","18:00:00",""
"2019945","9.3382","0.00011","4.84411","0.00005","13.16136","0.00014","90","","105.077","0.0012","90","","574.865","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Argininium phosphite","L-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","L-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0326","0.0281","","","0.0675","0.0699","","","","","","1.068","","","","has coordinates","136365","2020-10-21","18:00:00",""
"2019968","15.3969","0.0003","8.1763","0.0001","22.1067","0.0005","90","","90.01","0.002","90","","2783.01","0.09","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dimethyl[N-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^O,N,O']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C96 H168 N8 O24 Si8 -","8","4","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an O,N,O'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0432","0.0394","","","0.1017","0.1066","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019995","11.5217","0.0009","5.9974","0.0003","19.3426","0.0012","90","","95.848","0.006","90","","1329.62","0.15","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Lisinium hydrogen maleate hemihydrate","","- C10 H18 N O6.5 -","- C10 H18 N O6.5 -","- C40 H72 N4 O26 -","4","2","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic L-amino acid salts: maleates of L-leucine, L-isoleucine and L-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.1134","0.0643","","","0.1006","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019996","12.2269","0.0006","5.30779","0.00017","15.4678","0.0006","90","","113.055","0.005","90","","923.65","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Norvalinium hydrogen maleate‒L-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","1","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic L-amino acid salts: maleates of L-leucine, L-isoleucine and L-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.0569","0.048","","","0.1058","0.1136","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","139369","2020-10-21","18:00:00",""
"2020023","9.274","0.004","4.1096","0.0018","16.104","0.007","90","","97.813","0.009","90","","608.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S)-N'-[(E)-4-Chlorobenzylidene]-N-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C24 H24 Cl2 N6 O6 -","2","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four N'-[(E)-(aryl)methylidene]-N-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","1.54187","CuKα","","0.0362","0.0343","","","0.0814","0.0822","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020058","9.5274","0.0008","15.4463","0.0013","12.7366","0.0011","90","","98.731","0.001","90","","1852.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tris(diglyme-κ^3^O,O',O'')potassium 1,2-dihydrocorannulenide","Tris[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^O,O',O'']potassium hexacyclo[11.5.2.0^4,17^.0^7,16^.0^10,15^.0^14,18^]icosa-1,3,5,7(16),8,10(15),11,13,17-nonaenide","","- C38 H54 K O9 -","- C38 H54 K O9 -","- C76 H108 K2 O18 -","2","1","FA3372","Spisak, Sarah N.; Hoover, Gabrielle C.; Wei, Zheng; Zabula, Alexander V.; Filatov, Alexander S.; Petrukhina, Marina A.","Monoreduced 1,2-dihydrocorannulene versus the parent corannulene","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013145","","","0.71073","MoKα","","0.1038","0.0666","","","0.156","0.1774","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","152109","2020-10-21","18:00:00",""
"2020066","11.873","0.0006","5.2291","0.0002","15.3459","0.0009","90","","106.602","0.004","90","","913.03","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(L-cysteinium) L-cysteine difluoride hydrogen fluoride","Bis(L-cysteinium) difluoride‒L-cysteine‒hydrogen fluoride (1/1/1)","","- C9 H24 F3 N3 O6 S3 -","- C9 H24 F3 N3 O6 S3 -","- C18 H48 F6 N6 O12 S6 -","2","1","YF3089","Minkov, V. S.; Ghazaryan, V. V.; Boldyreva, E. V.; Petrosyan, A. M.","Unusual hydrogen bonding in L-cysteine hydrogen fluoride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013601","","","0.71073","MoKα","","0.0334","0.0288","","","0.0626","0.0638","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020093","8.106","0.0005","9.0448","0.0005","12.5656","0.0008","90","","102.859","0.005","90","","898.17","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aminoisocytosine‒2,6-dichloroaniline‒N,N-dimethylacetamide","2,6-Diaminopyrimidin-4(3H)-one‒2,6-dichloroaniline‒\ N,N-dimethylacetamide (1/1/1)","","- C14 H20 Cl2 N6 O2 -","- C14 H20 Cl2 N6 O2 -","- C28 H40 Cl4 N12 O4 -","2","1","","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0332","0.0305","","","0.079","0.08","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020111","5.2366","0.0004","8.4264","0.0005","11.3895","0.0008","90","","94.079","0.002","90","","501.3","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Amphetamine hydrobromide","(2S)-1-Phenylpropan-2-aminium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C18 H28 Br2 N2 -","2","1","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71069","MoKα","","0.02","0.0197","","","0.0513","0.0515","","","","","","1.082","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020129","4.8929","0.0003","4.4195","0.0002","14.1348","0.0007","90","","92.721","0.003","90","","305.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Iodouracil","5-Iodo-1H-pyrimidine-2,4-dione","","- C4 H3 I N2 O2 -","- C4 H3 I N2 O2 -","- C8 H6 I2 N4 O4 -","2","1","SK3601","Lutz, Martin; de Klein, Thomas J. S.; Huijben, Jeroen","5-Iodouracil: structure of a reflection twin","Acta Crystallographica Section C","2015","71","10","912","915","10.1107/S2053229615017167","","","0.71073","MoKα","","0.0211","0.0189","","","0.0449","0.0455","","","","","","1.087","","","","has coordinates,has Fobs","159066","2020-10-21","18:00:00",""
"2020138","13.122","","21.457","","13.223","","90","","91.71","","90","","3721.39","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","((C H3)4 N)6 (H2 W12 O40) (H2 O)9","","- C24 H92 N6 O49 W12 -","- C24 N6 O49 W12 -","- C48 N12 O98 W24 -","2","1","","Asami, M.; Sasaki, Y.; Ichida, H.","The crystal structure of hexakis(tetramethylammonium) dihydrogen dodecatungstate enneahydrate, ((C H3)4 N)6 (H2 W12 O40) * 9(H2 O)","Acta Crystallographica C (39,1983-)","1984","40","","35","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","161558","2020-10-21","18:00:00",""
"2020220","10.133","","6.6571","","7.311","","90","","113.109","","90","","453.601","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sm (I O3)3 (H2 O)","","- H2 I3 O10 Sm -","- I3 O10 Sm -","- I6 O20 Sm2 -","2","1","","Sen Gupta, P.K.; Ammon, H.L.","Structure of samarium(III) iodate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","175","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020317","11.307","0.003","6.17","0.002","14.678","0.004","90","","111.06","0.03","90","","955.6","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Thymidine 3':5'-cyclic phosphate sodium salt heptahydrate","Sodium thymidine 3':5'-cyclic phosphate heptahydrate","","- C10 H26 N2 Na O14 P -","- C10 H26 N2 Na O14 P -","- C20 H52 N4 Na2 O28 P2 -","2","1","SK3608","Ślepokura, Katarzyna Anna","3':5'-Cyclic nucleotides: two sodium salts of cdTMP","Acta Crystallographica Section C","2016","72","1","35","47","10.1107/S2053229615022536","","","0.71073","MoKα","","0.0283","0.0261","","","0.0699","0.0708","","","","","","1.049","","","","has coordinates,has Fobs","176617","2020-10-21","18:00:00",""
"2020384","6.3","","11.929","","7.176","","90","","91.62","","90","","539.08","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ca N H4 P O4 (H2 O)7","","- Ca H18 N O11 P -","- Ca H18 N O11 P -","- Ca2 H36 N2 O22 P2 -","2","1","","Takagi, S.; Brown, W. E.; Mathew, M.","Structure of Ammonium Calcium Phosphate Heptahydrate, Ca (N H4) P O4 (H2 O)7","Acta Crystallographica C (39,1983-)","1984","40","","1111","1113","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020391","6.7342","0.001","7.8271","0.001","10.7822","0.0017","90","","96.442","0.013","90","","564.73","0.14","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","Morpholinium salicylate","Tetrahydro-2H-1,4-oxazin-4-ium 2-hydroxybenzoate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0514","0.0409","","","0.083","0.0906","","","","","","1.051","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020450","7.7594","0.0004","8.5383","0.0006","13.4525","0.0008","90","","100.483","0.003","90","","876.38","0.09","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N-Benzyl-6-methyl-1,2,6,7-tetrahydropyrimido\ [5',4':6,7]azepino[3,2,1-hi]indol-8-amine","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","1.54178","CuKα","","0.0312","0.0304","","","0.0776","0.0784","","","","","","1.094","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020453","14.9328","0.0002","6.01143","0.0001","33.9985","0.0007","90","","102.601","0.0017","90","","2978.45","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-2-{[(1-Phenylethyl)imino]methyl}naphthalene","","- C19 H17 N -","- C19 H17 N -","- C152 H136 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0543","0.0392","","","0.0829","0.092","","","","","","1.036","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020456","7.595","0.0011","5.8997","0.0009","16.996","0.003","90","","99.42","0.015","90","","751.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(‒)-2-({[(4-Fluorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 F N -","- C19 H16 F N -","- C38 H32 F2 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1136","0.0655","","","0.1352","0.153","","","","","","1.252","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020459","7.8555","0.0005","7.8724","0.0004","14.0494","0.0009","90","","99.859","0.006","90","","856.01","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-2-({[1-(Naphthalen-1-yl)ethyl]imino}methyl)naphthalene","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.098","0.0481","","","0.0958","0.1185","","","","","","1.013","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020460","15.406","0.003","5.9722","0.0007","36.002","0.007","90","","102.058","0.018","90","","3239.4","1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-2-{[(1-Cyclohexylethyl)imino]methyl}naphthalene","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1929","0.0782","","","0.1573","0.2306","","","","","","0.993","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020461","7.7571","0.0013","5.9246","0.001","17.82","0.004","90","","92.682","0.016","90","","818.1","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(‒)-2-{[(1,2,3,4-Tetrahydronaphthalen-1-yl)imino]methyl}naphthalene","","- C21 H19 N -","- C21 H19 N -","- C42 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.7107","MoKα","","0.108","0.0691","","","0.1566","0.1751","","","","","","1.442","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020475","7.2201","0.0002","7.8128","0.0003","14.7409","0.0005","90","","93.69","0.002","90","","829.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2SR,4RS)-8,9-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0355","0.0333","","","0.09","0.0919","","","","","","1.038","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020516","6.8503","0.0006","29.1839","0.0018","14.8014","0.0009","90","","102.7","0.01","90","","2886.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20R,24R)-20,24-Epoxydammarane-3β,12β,25-triol monohydrate","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","2","LF3031","Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of C24-epimeric 20(R)-ocotillol-type saponins","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007270","","","1.54178","CuKα","","0.1437","0.0925","","","0.2275","0.2772","","","","","","0.974","","","","has coordinates","182994","2020-10-21","18:00:00",""
"2020522","6.2155","0.0002","8.7681","0.0003","8.9686","0.0003","90","","106.14","0.003","90","","469.51","0.03","121","1","121","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Isopropyl-2,3-dihydro-1H-isoindol-1-one","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","LG3188","Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal","A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1H-isoindol-1-one","Acta Crystallographica Section C","2016","72","7","518","524","10.1107/S2053229616008767","","","1.54184","CuKα","","0.0256","0.0252","","","0.0675","0.0678","","","","","","2.16","","","","has coordinates,has Fobs","185017","2020-10-21","18:00:00",""
"2020587","8.529","0.002","7.352","0.002","15.075","0.003","90","","100.18","0.03","90","","930.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-ethyl-10-hydroxycamptothecin","(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinoline-3,14(4H,12H)dione","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","YO3022","Ali, Md. Ashraf; Noguchi, Shuji; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru","The antitumour drug 7-ethyl-10-hydroxycamptothecin monohydrate and its solid-state hydrolysis mechanism on heating","Acta Crystallographica Section C","2016","72","10","743","747","10.1107/S2053229616014492","","","0.70041","synchrotron(SPring-8BL02B1)","","0.0543","0.0431","","","0.1114","0.1197","","","","","","0.836","","","","has coordinates","187988","2020-10-21","18:00:00",""
"2020608","8.4544","0.0008","15.0084","0.0014","10.6904","0.001","90","","95.975","0.002","90","","1349.1","0.2","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","jonyj35","(Pentanenitrile-κN)(trimethylphosphane-κP)[tris(3,5-dimethylimidazol-1-yl)hydroborato-κ^2^N^2^,N^2'^]rhodium(I)","","- C23 H40 B N7 P Rh -","- C23 H40 B N7 P Rh -","- C46 H80 B2 N14 P2 Rh2 -","2","1","YP3115","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Nitrile coordination to rhodium does not lead to C—H activation","Acta Crystallographica Section C","2016","72","11","850","852","10.1107/S2053229616006859","","","0.71073","MoKα","","0.0908","0.053","","","0.0829","0.0964","","","","","","0.991","","","","has coordinates,has Fobs","188942","2020-10-21","18:00:00",""
"2020624","10.202","0.003","18.21","0.006","13.356","0.004","90","","90.814","0.005","90","","2481","1.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Bis(1-tert-butyl-2-sulfanylidene-2,3-dihydro-1H-imidazol-3-yl)borato-κ^3^S,S',H]dichlorido(η^5^-cyclopentadienyl)zirconium(IV)","","- C19 H29 B Cl2 N4 S2 Zr -","- C19 H29 B Cl2 N4 S2 Zr -","- C76 H116 B4 Cl8 N16 S8 Zr4 -","4","2","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-tert-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.0892","0.0558","","","0.1144","0.1291","","","","","","1.001","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020695","11.4261","0.0005","8.1847","0.0003","16.8243","0.0006","90","","93.067","0.002","90","","1571.14","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9RS,15RS)-9-Ethyl-11-methyl-9,13b-dihydrodibenzo[c,f]thiazolo[3,2-a]azepin-3(2H)-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","2","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0299","0.0289","","","0.0781","0.0788","","","","","","1.046","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020758","6.5592","0.0001","9.1328","0.0002","13.7163","0.0003","90","","93.9","0.002","90","","819.76","0.03","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-bis[(R)-mandelato]borato-lithium(I)] monohydrate]","","- C16 H14 B Li O7 -","- C16 H14 B Li O7 -","- C32 H28 B2 Li2 O14 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution via metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0311","0.0304","","","0.0812","0.0819","","","","","","1.063","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020759","7.49015","0.00016","8.24219","0.00013","13.275","0.0003","90","","92.8753","0.0019","90","","818.5","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium bis[(R)-mandelato]borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C32 H32 B2 N2 O12 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution via metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0277","0.0262","","","0.0644","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020783","5.3048","0.0005","31.891","0.003","10.508","0.001","90","","98.184","0.003","90","","1759.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Naproxen‒picolinamide (1/1)","(S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","2","DF3001","Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic","Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal","Acta Crystallographica Section C","2017","73","3","168","175","10.1107/S2053229616011980","","","0.71073","MoKα","","0.1145","0.0575","","0.1025","0.082","0.082","","","","","","0.9443","","","","has coordinates,has Fobs","199075","2020-10-21","18:00:00",""
"2020813","8.7136","0.0002","6.3606","0.0002","13.3613","0.0003","90","","100.22","0.002","90","","728.78","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R,8S)-8-tert-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decan-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2H-1,4-oxazin-2-one fragment in 8-tert-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","1.54184","CuKα","","0.0325","0.0315","","","0.0856","0.087","","","","","","1.04","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020814","8.7007","0.0003","6.3466","0.0002","13.3458","0.0004","90","","100.243","0.003","90","","725.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5S,8R)-8-tert-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2H-1,4-oxazin-2-one fragment in 8-tert-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","0.71073","MoKα","","0.0881","0.0522","","","0.1094","0.1272","","","","","","1.074","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020816","17.9895","0.0011","8.2912","0.0004","22.7981","0.0018","90","","108.343","0.002","90","","3227.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20S,24R)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol ethanol hemisolvate","","- C33 H57 O5.5 -","- C33 H57 O5.5 -","- C132 H228 O22 -","4","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20S,24S)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.0799","0.0538","","","0.1301","0.153","","","","","","1.027","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020817","10.91","0.002","8.037","0.0016","17.018","0.003","90","","92.5","0.03","90","","1490.8","0.5","153","2","153","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20S,24S)-3-Acetyl-20,24-epoxydammarane-3,12,25-triol","","- C32 H54 O5 -","- C32 H54 O5 -","- C64 H108 O10 -","2","1","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20S,24S)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54187","CuKα","","0.0843","0.0675","","","0.1835","0.2075","","","","","","1.19","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020832","11.7931","0.0005","10.4209","0.0005","14.0792","0.0006","90","","111.081","0.001","90","","1614.46","0.12","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11bS)-N-[(2S,4S)-4-(Diphenylphosphanyl)pentan-2-yl]-N-methyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine","","- C38 H35 N O2 P2 -","- C38 H35 N O2 P2 -","- C76 H70 N2 O4 P4 -","2","1","SK3658","Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József","Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010403","","","0.71075","MoKα","","0.0658","0.0439","","","0.0831","0.0899","","","","","","1.031","","","","has coordinates,has Fobs","199342","2020-10-21","18:00:00",""
"2020996","13.8485","0.0007","15.0536","0.0006","16.6819","0.0009","90","","109.395","0.006","90","","3280.3","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-2,7-bis(pyridine-4-ylmethyl)benzo[imn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone]bis(perchlorato)cadmium(II)] chloroform tetrasolvate]","","- C56 H36 Cd Cl14 N8 O16 -","- C56 H36 Cd Cl14 N8 O16 -","- C112 H72 Cd2 Cl28 N16 O32 -","2","1","EG3231","Liu, Jian-Jun; Dong, Ying; Chen, Li-Zhen; Wang, Ling; Xia, Shu-Biao; Huang, Chang-Cang","A two-dimensional Cd^II^ coordination polymer based on naphthalenediimide: synthesis, crystal structure and photochromic properties","Acta Crystallographica Section C","2018","74","1","94","99","10.1107/S2053229617017958","","","0.71073","MoKα","","0.0613","0.0449","","","0.094","0.1003","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","205713","2020-10-21","18:00:00",""
"2021103","16.847","0.003","15.6786","0.0018","21.787","0.002","90","","106.954","0.004","90","","5504.7","1.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Magnesium bis(4-methyl-2,6-di(tert-butyl)phenoxide) bis(tetrahydrofuranate)","Bis(2,6-di-tert-butyl-4-methylphenolato-κO)bis(tetrahydrofuran-κO)magnesium","","- C38 H62 Mg O4 -","- C38 H62 Mg O4 -","- C228 H372 Mg6 O24 -","6","3","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0783","0.0473","","","0.1059","0.1216","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021108","8.807","0.0006","14.9505","0.0008","16.6376","0.001","90","","95.903","0.004","90","","2179","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0412","0.0366","","","0.0942","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021113","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0399","0.0397","","","0.1107","0.111","","","","","","1.102","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021114","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0464","0.0461","","","0.1336","0.1343","","","","","","1.699","","","","has coordinates","207541","2020-10-21","18:00:00",""
"2021115","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0319","0.0316","","","0.0876","0.0878","","","","","","1.1","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021136","9.57929","0.00011","10.05214","0.00016","17.7765","0.0002","90","","96.4731","0.0011","90","","1700.83","0.04","99.96","0.13","99.96","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","11-Azaartemisinin‒fumaric acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2E)-but-2-enedioic acid (1/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C68 H100 N4 O24 -","2","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0259","0.0254","","","0.0654","0.0657","","","","","","1.018","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021169","11.1942","0.0001","8.6142","0.0001","31.6661","0.0002","90","","93.082","0.001","90","","3049.12","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis{(S)-(+)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C30 H48 N2 O8 -","- C30 H48 N2 O8 -","- C120 H192 N8 O32 -","4","2","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.0323","0.0317","","","0.0818","0.0826","","","","","","1.026","","","","has coordinates,has Fobs","208530","2020-10-21","18:00:00",""
"2021180","16.4417","0.0007","5.1623","0.0002","23.7712","0.0009","90","","107.43","0.004","90","","1924.99","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl (S)-P-(4-oxo-4H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(R)-1-phenylethyl]phosphonamidate","","- C20 H20 N3 O3 P S -","- C20 H20 N3 O3 P S -","- C80 H80 N12 O12 P4 S4 -","4","2","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0598","0.0558","","","0.1459","0.1496","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021236","5.5965","0.0008","10.7222","0.0017","15.71","0.003","90","","98.796","0.009","90","","931.6","0.3","299","1","299","1","","","","","","","","6","P 1 21 1","P 2yb","4","Disodium guanosine 5'-monophosphate tetrahydrate","","","- C10 H20 N5 Na2 O12 P -","- C10 H19 N5 Na2 O12 P -","- C20 H38 N10 Na4 O24 P2 -","2","1","UK3159","Tsubonoya, Masaaki; Murofushi, Akitaka; Yamamura, Shigefumi; Sugawara, Yoko","Crystal structure and sequential dehydration transitions of disodium guanosine 5'-monophosphate tetrahydrate","Acta Crystallographica Section C","2018","74","10","1153","1159","10.1107/S2053229618012639","","","0.7107","MoKα","","0.036","0.033","","","0.068","0.0711","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","211786","2020-10-21","18:00:00",""
"2021284","7.6327","0.0002","10.451","0.0002","7.6553","0.0002","90","","108.559","0.003","90","","578.9","0.03","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium chloride monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium chloride monohydrate","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C22 H34 Cl2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0312","0.0286","","","0.0668","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021285","7.7268","0.0004","10.4304","0.0004","8.0655","0.0004","90","","108.341","0.005","90","","617.01","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium iodide monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide monohydrate","","- C11 H17 I N2 O2 -","- C11 H17 I N2 O2 -","- C22 H34 I2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0849","0.0871","","","","","","1.08","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021286","7.6216","0.0002","10.4582","0.0002","8.4325","0.0003","90","","113.071","0.004","90","","618.38","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cytisinium nitrate monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium nitrate monohydrate","","- C11 H17 N3 O5 -","- C11 H17 N3 O5 -","- C22 H34 N6 O10 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0269","0.0267","","","0.0742","0.0744","","","","","","1.085","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021287","10.78898","0.00014","7.84934","0.00011","14.37986","0.00017","90","","97.4435","0.0012","90","","1207.52","0.03","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","Hydrogen dicytisinium tribromide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) tribromide","","- C22 H31 Br3 N4 O2 -","- C22 H31 Br3 N4 O2 -","- C44 H62 Br6 N8 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0233","0.0233","","","0.0641","0.0641","","","","","","1.127","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021292","7.3551","0.0003","16.5198","0.0005","7.4476","0.0003","90","","119.027","0.006","90","","791.25","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinediium dichloride trihydrate","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-ium dichloride trihydrate","","- C11 H22 Cl2 N2 O4 -","- C11 H22 Cl2 N2 O4 -","- C22 H44 Cl4 N4 O8 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0345","0.0296","","","0.0661","0.0684","","","","","","1.082","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021303","9.2072","0.0008","15.0256","0.0013","13.6139","0.0012","90","","106.177","0.005","90","","1808.8","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tetraaquabis[μ~3~-(2R,2'R)-2,2'-(benzene-1,4-dicarboxamido)dipropionato-κ^5^O,O':O'',O''':O'']dicadmium(II)] trihydrate]","","- C28 H42 Cd2 N4 O19 -","- C28 H42 Cd2 N4 O19 -","- C56 H84 Cd4 N8 O38 -","2","1","SK3708","Zhang, Hong-Tao; Wang, Xiao-Long","A new twofold interpenetrated two-dimensional cadmium(II) coordination polymer constructed from 2,2'-(benzene-1,4-dicarboxamido)dipropionate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013967","","","0.71073","MoKα","","0.0483","0.0333","","","0.0585","0.0634","","","","","","1.004","","","","has coordinates,has Fobs","211623","2020-10-21","18:00:00",""
"2021350","11.8988","0.0004","8.1189","0.0003","18.4205","0.0006","90","","98.961","0.002","90","","1757.8","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C76 H92 N16 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1272","0.0546","","","0.1199","0.1484","","","","","","1.001","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021353","12.688","0.0012","4.1152","0.0004","15.8952","0.0015","90","","100.258","0.008","90","","816.68","0.14","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[μ~4~-iodido-μ~3~-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)]","","- C14 H10 Cu2 I2 N2 O S -","- C14 H10 Cu2 I2 N2 O S -","- C28 H20 Cu4 I4 N4 O2 S2 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.1204","0.1205","","","","","","1.058","","","","has coordinates,has Fobs","212003","2020-10-21","18:00:00",""
"2021368","4.914","0.0001","12.945","0.0003","9.763","0.0003","90","","103.474","0.001","90","","603.95","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-Diethyl-5-propionyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C22 H32 N4 O6 S2 -","2","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.027","0.0265","","","0.0695","0.0703","","","","","","1.087","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021461","7.6967","0.0001","10.1984","0.0002","15.9931","0.0003","90","","93.505","0.001","90","","1253.01","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-tert-Butylbenzoic acid‒N'-(diphenylmethylene)isonicotinohydrazide","4-tert-Butylbenzoic acid‒N'-(diphenylmethylene)pyridine-4-carbohydrazide (1/1)","","- C30 H29 N3 O3 -","- C30 H29 N3 O3 -","- C60 H58 N6 O6 -","2","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.038","0.0345","","","0.0884","0.0914","","","","","","1.035","","","","has coordinates,has Fobs","213386","2020-10-21","18:00:00",""
"2021471","11.3449","0.0002","7.3527","0.0001","11.8641","0.0003","90","","113.623","0.003","90","","906.72","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [R-(+)-α-methylbenzylamido]phosphate","","- C20 H20 N O3 P -","- C20 H20 N O3 P -","- C40 H40 N2 O6 P2 -","2","1","","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan","Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures","Acta Crystallographica Section C","2019","75","1","77","84","10.1107/S205322961801673X","","","0.71073","MoKα","","0.0244","0.0235","","","0.0605","0.0612","","","","","","1.068","","","","has coordinates,has Fobs","213452","2020-10-21","18:00:00",""
"2021472","11.3482","0.0003","7.3589","0.0001","11.8714","0.0003","90","","113.686","0.003","90","","907.87","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(S)-(‒)-α-methylbenzylamido]phosphate","","- C20 H20 N O3 P -","- C20 H20 N O3 P -","- C40 H40 N2 O6 P2 -","2","1","","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan","Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures","Acta Crystallographica Section C","2019","75","1","77","84","10.1107/S205322961801673X","","","0.71073","MoKα","","0.0258","0.0252","","","0.068","0.0686","","","","","","1.055","","","","has coordinates,has Fobs","213452","2020-10-21","18:00:00",""
"2021478","10.4239","0.0008","7.8757","0.0005","12.0461","0.0007","90","","103.775","0.007","90","","960.49","0.11","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","3b","Dibenzyl [(3-chlorophenyl)(hydroxy)methyl]phosphonate","","- C21 H20 Cl O4 P -","- C21 H20 Cl O4 P -","- C42 H40 Cl2 O8 P2 -","2","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0571","0.0472","","","0.1066","0.1143","","","","","","1.046","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021524","6.0127","0.0012","12.056","0.002","9.962","0.002","90","","90.43","0.03","90","","722.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]]","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","KU3234","Cheng, Ling; Cao, Yingjie","A two-dimensional organic‒inorganic hybrid perovskite-type semiconductor: poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]]","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001712","","","0.71073","MoKα","","0.0404","0.0374","","","0.0812","0.0826","","","","","","1.102","","","","has coordinates,has Fobs","213785","2020-10-21","18:00:00",""
"2021588","5.4874","0.0001","43.4767","0.0007","11.4892","0.0002","90","","98.144","0.002","90","","2713.38","0.08","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","Ivabradine hydrochloride hemihydrate","{[3,4-Dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}[3-(7,8-dimethoxy-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)propyl]methylazanium hemihydrate","","- C27 H38 Cl N2 O5.5 -","- C27 H38 Cl N2 O5.5 -","- C108 H152 Cl4 N8 O22 -","4","2","QF3025","Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong","Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride","Acta Crystallographica Section C","2019","75","5","545","553","10.1107/S2053229619004819","","","1.54184","CuKα","","0.0426","0.0372","","","0.0919","0.0957","","","","","","1.04","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021652","7.6172","0.001","6.0317","0.0008","27.401","0.004","90","","90.533","0.004","90","","1258.9","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S)-2-(3-Benzoylphenyl)propanoic acid]","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","2","KY3174","Rossi, Patrizia; Paoli, Paola; Ienco, Andrea; Biagi, Diletta; Valleri, Maurizio; Conti, Luca","A new crystal form of the NSAID dexketoprofen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006533","","","1.54178","CuKα","","0.04","0.0393","","","0.1036","0.1051","","","","","","1.058","","","","has coordinates,has Fobs","215586","2020-10-21","18:00:00",""
"2021654","6.8355","0.0011","19.512","0.003","10.881","0.002","90","","107.811","0.019","90","","1381.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(3-Phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","2","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.1615","0.0928","","","0.2173","0.2633","","","","","","1.006","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021671","5.0044","0.0003","38.6364","0.0014","7.6007","0.0004","90","","106.2","0.005","90","","1411.26","0.13","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","αβ-D-Lactose","αβ-D-Lactose","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","2","KY3180","Nicholls, Daniel; Elleman, Carole; Shankland, Norman; Shankland, Kenneth","A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008210","","x-ray","1.54184","CuKα","","0.0576","0.0475","","","0.1149","0.1198","","","","","","1.015","","","","has coordinates,has Fobs","216003","2020-10-21","18:00:00",""
"2021734","12.6321","0.0017","13.9512","0.0019","14.792","0.002","90","","113.077","0.002","90","","2398.2","0.6","240","2","240","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","[[D-βVal^3,7^]Ascidiacyclamide(2-)]aqua-μ-carbonato-dicopper(II) monohydrate","","- C39 H58 Cu2 N8 O11 S2 -","- C39 H58 Cu2 N8 O11 S2 -","- C78 H116 Cu4 N16 O22 S4 -","2","1","CU3139","Asano, Akiko; Doi, Mitsinobu","A bis-copper(II)‒[D-βVal^3,7^]ascidiacyclamide complex enveloping two square pyramids and sharing an apex atom from a carbonate anion","Acta Crystallographica Section C","2019","75","8","1182","1187","10.1107/S2053229619007952","","","0.71073","MoKα","","0.1251","0.1145","","","0.2753","0.2832","","","","","","1.043","","","","has coordinates,has Fobs","217305","2020-10-21","18:00:00",""
"2021738","9.1043","0.0002","21.477","0.0005","13.8106","0.0003","90","","91.8362","0.0008","90","","2699.04","0.1","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl-(1\ρightarrow2)-\ 3,4,6-tri-O-acetyl-α-D-mannopyranosyl-(1\ρightarrow3)-\ 1,2,4,6-tetra-O-acetyl-α-D-mannopyranose","","- C40 H54 O27 -","- C40 H54 O27 -","- C80 H108 O54 -","2","1","FP3073","Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Structural properties of D-mannopyranosyl rings containing O-acetyl side-chains","Acta Crystallographica Section C","2019","75","8","1166","1174","10.1107/S2053229619008817","","","1.54178","CuKα","","0.0337","0.0336","","","0.0942","0.0944","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","217307","2020-10-21","18:00:00",""
"2021783","6.4074","0.0004","8.1772","0.0008","16.3291","0.0009","90","","99.241","0.005","90","","844.45","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,5R)-2-Isopropyl-5-methyl-7-(5-methylisoxazol-3-yl)cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane)","","- C16 H26 N2 O5 -","- C16 H26 N2 O5 -","- C32 H52 N4 O10 -","2","1","KU3248","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","How the oxazole fragment influences the conformation of the tetraoxazocane ring in a cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane): single-crystal X-ray and theoretical study","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012592","","x-ray","0.71073","MoKα","","0.0763","0.0557","","","0.1176","0.1284","","","","","","1.029","","","","has coordinates,has Fobs","218907","2020-10-21","18:00:00",""
"2021806","8.8215","0.0006","15.0094","0.001","16.6719","0.0012","90","","95.666","0.004","90","","2196.7","0.3","180","0.5","180","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0619","0.0503","","","0.1315","0.1413","","","","","","1.022","","","","has coordinates","223399","2020-10-21","18:00:00",""
"2021844","5.1714","0.0003","22.8649","0.0014","8.0202","0.0005","90","","92.875","0.006","90","","947.14","0.1","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-Poly[[silver(I)-μ-2-{4-[(1H-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole] hexafluoridophosphate]","","- C17 H13 Ag F6 N5 O P -","- C17 H13 Ag F6 N5 O P -","- C34 H26 Ag2 F12 N10 O2 P2 -","2","1","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1H-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0571","0.0511","","","0.1289","0.1349","","","","","","1.03","","","","has coordinates","243812","2020-10-21","18:00:00",""
"2021845","16.0576","0.0012","24.7423","0.0019","18.2142","0.0014","90","","105.443","0.001","90","","6975.3","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(μ-butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO:κO')di-μ-hydroxido-bis[(butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO)(butyl 2,6-di-tert-butyl-4-methylphenyl phosphato-κO)chromium](Cr—Cr) heptane disolvate","","- C128 H228 Cr2 O26 P6 -","- C128 H228 Cr2 O26 P6 -","- C256 H456 Cr4 O52 P12 -","2","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0541","0.0427","","","0.1047","0.1118","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021917","8.881","0.002","6.0754","0.0016","11.995","0.003","90","","91.021","0.004","90","","647.1","0.3","298","2","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0645","0.0499","","","0.1161","0.1256","","","","","","1.041","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021934","5.285","0.003","18.418","0.009","6.699","0.003","90","","100.105","0.007","90","","642","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,4S,7R,7aS)-2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0868","0.0666","","","0.1572","0.1682","","","","","","0.965","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021935","5.3661","0.0004","18.6171","0.0016","6.6116","0.0005","90","","98.918","0.007","90","","652.52","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","norcantharidine - 4-nitraaniline","(3aR,4S,7R,7aS)-2-(4-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0447","0.0403","","","0.1022","0.1091","","","","","","1.059","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021944","10.645","0.003","19.161","0.009","11.503","0.003","90","","93.75","0.02","90","","2341.2","1.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Pms-Acp-(S)-Pms-Acp-(S)-Pms-Acp-NMe~2~","","- C49 H61 N5 O9 -","- C49 H61 N5 O9 -","- C98 H122 N10 O18 -","2","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1376","0.0754","","","0.1893","0.2175","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021945","10.388","0.004","12.756","0.006","21.624","0.005","90","","93.55","0.03","90","","2859.9","1.9","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Pms-Aib-(S)-Pms-Aib-NMe~2~","","- C28 H37 N3 O6 -","- C28 H37 N3 O6 -","- C112 H148 N12 O24 -","4","2","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1219","0.0522","","","0.1231","0.1485","","","","","","1.035","","","","has coordinates,has Fobs","246413","2020-10-21","18:00:00",""
"2021951","8.2608","0.0008","14.0676","0.0013","11.5967","0.0011","90","","97.9839","0.0016","90","","1334.6","0.2","10","2","10","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(N-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0357","0.0338","","","0.0854","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021952","8.2788","0.0003","14.0816","0.0006","11.6343","0.0005","90","","98.0814","0.0007","90","","1342.84","0.09","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(N-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.027","0.0251","","","0.0593","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021953","8.3188","0.0004","14.1117","0.0006","11.6994","0.0005","90","","98.3222","0.0007","90","","1358.96","0.1","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(N-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0332","0.0296","","","0.0698","0.0717","","","","","","1.038","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021958","8.288","0.0004","14.3767","0.0007","10.2288","0.0006","90","","104.514","0.005","90","","1179.91","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene][μ-(S)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0343","0.0297","","","0.0735","0.0754","","","","","","1.001","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021959","8.2888","0.0005","14.3618","0.0007","10.2195","0.0007","90","","104.509","0.007","90","","1177.75","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene][μ-(R)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0341","0.0299","","","0.0734","0.0752","","","","","","1.024","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021960","9.0631","0.0008","11.8412","0.0007","11.6382","0.001","90","","112.456","0.01","90","","1154.28","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene][μ-(S)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0373","0.031","","","0.0729","0.0754","","","","","","0.974","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021961","9.0571","0.0006","11.8439","0.0006","11.6393","0.0007","90","","112.441","0.008","90","","1154.01","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene][μ-(R)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.029","0.0265","","","0.0691","0.0703","","","","","","1.051","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021974","7.9","0.002","12.842","0.003","8.118","0.002","90","","119.04","0.02","90","","720","0.3","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C16 H40 N2 Re2 S8 -","2","1","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0525","0.0519","","","0.136","0.1378","","","","","","1.085","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021982","3.9413","0.0002","17.3664","0.0008","17.236","0.0009","90","","94.504","0.005","90","","1176.1","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2E)-1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0341","0.0299","","","0.0706","0.0726","","","","","","1.043","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021993","8.4959","0.0002","9.6479","0.0002","8.7619","0.0002","90","","116.921","0.001","90","","640.36","0.03","299.16","","299.16","","","","","","","","","4","P 1 21 1","P 2yb","4","NA8","(S)-10-(Prop-2-yn-1-yl)pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","LH5947","Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2020","76","4","467","","10.1107/S2056989020002698","","","0.71073","MoKα","","0.0463","0.0389","","","0.0983","0.1032","","","","","","1.061","","","","has coordinates,has Fobs","248727","2020-10-21","18:00:00",""
"2022046","9.598","0.002","8.939","0.001","12.17","0.001","90","","108.75","0.01","90","","988.7","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N4 O5 -","- C18 H28 N4 O5 -","- C36 H56 N8 O10 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0115","0.0114","","","0.0303","0.0303","","","","","","1.234","","","","has coordinates","250625","2020-10-21","18:00:00",""
"2022062","8.121","0.004","9.299","0.006","12.532","0.005","90","","91.21","0.02","90","","946.2","0.9","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.269 N3 O7.634 -","- C15 H26.2688 N3 O7.63441 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5","synchrotron","","0.0106","0.0106","","","0.0241","0.0241","","","","","","1.2979","","","","has coordinates","250641","2020-10-21","18:00:00",""
"2022064","8.741","0.002","9.42","0.002","11.989","0.002","90","","95.49","0.03","90","","982.6","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H29 N5 O6 -","- C15 H29 N5 O6 -","- C30 H58 N10 O12 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0106","0.0106","","","0.0274","0.0274","","","","","","1.2508","","","","has coordinates","250643","2020-10-21","18:00:00",""
"2022065","8.6224","0.0002","7.0489","0.0002","9.8061","0.0002","90","","106.486","0.002","90","","571.5","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C12 H32 Cl4 N4 O6 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0369","0.0248","","","0.0479","0.0556","","","","","","1.0417","","","","has coordinates","250644","2020-10-21","18:00:00",""
"2022070","9.948","0.0002","7.9637","0.0002","4.9826","0.0001","90","","83.13","0.01","90","","391.902","0.017","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O2 -","- C5 H13 Cl N2 O2 -","- C10 H26 Cl2 N4 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0139","0.0139","","","0.0304","0.0304","","","","","","0.9514","","","","has coordinates","250649","2020-10-21","18:00:00",""
"2022071","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0136","0.0131","","","0.032","0.0322","","","","","","1.2761","","","","has coordinates","250650","2020-10-21","18:00:00",""
"2022082","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0182","0.0175","","","0.0415","0.0417","","","","","","1.1842","","","","has coordinates","250661","2020-10-21","18:00:00",""
"2022103","9.1086","0.0002","6.3149","0.0002","11.0428","0.0003","90","","95.585","0.001","90","","632.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-Iodo-5-aza-7-deazaguanosine","","- C10 H12 I N5 O5 -","- C10 H12 I N5 O5 -","- C20 H24 I2 N10 O10 -","2","1","YF3200","Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization","Acta Crystallographica Section C","2020","76","5","513","523","10.1107/S2053229620004684","","","1.54178","CuKα","","0.037","0.0361","","","0.0964","0.097","","","","","","1.07","","","","has coordinates,has Fobs","251304","2020-10-21","18:00:00",""
"2022160","9.4554","0.0007","9.901","0.0008","10.3668","0.0008","90","","97.567","0.001","90","","962.07","0.13","99.96","","99.96","","","","","","","","","6","P 1 21 1","P 2yb","4","","(L-Prolinato-κ^2^N,O)[tris(2-aminoethyl)amine-κ^4^N,N',N'',N''']cobalt(III) diiodide monohydrate","","- C11 H28 Co I2 N5 O3 -","- C11 H28 Co I2 N5 O3 -","- C22 H56 Co2 I4 N10 O6 -","2","1","DG3007","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.023","0.0224","","","0.0527","0.053","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","252977","2020-10-21","18:00:00",""
"2022169","7.0226","0.0001","7.9585","0.0001","12.5188","0.0001","90","","103.645","0.001","90","","679.92","0.014","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium chloride","","- C13 H22 Cl N O2 -","- C13 H22 Cl N O2 -","- C26 H44 Cl2 N2 O4 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-N-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0222","0.0218","","","0.0577","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022202","5.8289","0.0006","18.094","0.0018","9.0173","0.0008","90","","95.799","0.008","90","","946.17","0.16","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 5'-benzoyl-5'H,7'H-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0629","0.0348","","","0.053","0.0548","","","","","","1.006","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022218","9.72506","0.00016","13.58223","0.00015","10.4099","0.00017","90","","116.071","0.002","90","","1235.11","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrapropylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane","","- C20 H40 B N5 O8 -","- C20 H40 B N5 O8 -","- C40 H80 B2 N10 O16 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [NR~4~][B(TarNH~2~)~2~] (R = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0252","0.0241","","","0.0597","0.0603","","","","","","1.035","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022220","11.49802","0.00016","10.19256","0.0001","14.65365","0.00018","90","","107.916","0.0014","90","","1634.05","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate hemihydrate","","- C26 H55 B N5 O9.5 -","- C26 H55 B N5 O9.5 -","- C52 H110 B2 N10 O19 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [NR~4~][B(TarNH~2~)~2~] (R = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0304","0.0283","","","0.0705","0.0715","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022239","8.8165","0.0002","16.1649","0.0004","13.4246","0.0003","90","","90.0022","0.0012","90","","1913.25","0.08","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl]-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one 1-oxide","","- C17 H16 F3 N3 O7 S -","- C17 H16 F3 N3 O7 S -","- C68 H64 F12 N12 O28 S4 -","4","2","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0348","0.0328","","","0.0807","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022266","16.4556","0.0006","10.3205","0.0003","20.1636","0.0008","90","","109.183","0.0015","90","","3234.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium 3-carboxyprop-2-enoate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0664","0.0431","","","0.1067","0.1174","","","","","","1.057","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:26",""
"2022268","12.6384","0.0005","7.9259","0.0003","17.5249","0.0008","90","","99.845","0.0017","90","","1729.63","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate 1.166-hydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate hydrate","","- C39 H39.34 Br N2 O5.17 -","- C39 H39.332 Br N2 O5.166 -","- C78 H78.664 Br2 N4 O10.332 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0509","0.0318","","","0.0671","0.0725","","","","","","1.025","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:29",""
"2022269","12.8661","0.0008","8.0386","0.0005","17.4704","0.001","90","","101.093","0.003","90","","1773.12","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate acetonitrile 0.742-solvate monohydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate acetonitrile 0.742-solvate monohydrate","","- C40.48 H41.23 Br N2.74 O5 -","- C40.484 H41.226 Br N2.742 O5 -","- C80.968 H82.452 Br2 N5.484 O10 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","1.54178","CuKα","","0.0398","0.0347","","","0.0808","0.0847","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","258573","2020-10-23","04:36:31",""
"2022270","3.96521","0.00009","16.7005","0.0004","12.4252","0.0002","90","","91.185","0.002","90","","822.63","0.03","100","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-1-(2,4-Dichlorophenyl)- 3-[4-(morpholin-4-yl)phenyl]prop-2-en-1-one","","- C19 H17 Cl2 N O2 -","- C19 H17 Cl2 N O2 -","- C38 H34 Cl4 N2 O4 -","2","1","KY3199","Alsafi, Mona A.; Hughes, David L.; Said, Musa A.","First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study","Acta Crystallographica Section C Structural Chemistry","2020","76","12","","","10.1107/S2053229620014217","","x-ray","1.54184","CuKα","","0.0239","0.0237","","","0.0643","0.0644","","","","","","1.07","","","","has coordinates,has Fobs","258773","2020-11-06","05:08:35",""
"2022283","13.5302","0.0004","4.6101","0.0001","19.3371","0.0006","90","","103.603","0.001","90","","1172.33","0.06","213","2","212.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,4R,8aR)-13-Amino-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1H-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-g]isoquinoline-14,17(2H,9H)-dione","","- C27 H24 N2 O9 -","- C27 H24 N2 O9 -","- C54 H48 N4 O18 -","2","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54178","CuKα","","0.0293","0.0277","","","0.0732","0.0746","","","","","","1.0723","","","","has coordinates,has disorder,has Fobs","259255","2020-11-26","05:08:43",""
"2022324","7.4532","0.00017","8.26902","0.00019","23.1876","0.0006","90","","97.362","0.002","90","","1417.29","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Acriflavinium 3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid‒water (1/1/1)","3,6-Diamino-10-methylacridin-10-ium 3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid‒water (1/1/1)","","- C28 H23 N7 O13 -","- C28 H23 N7 O13 -","- C56 H46 N14 O26 -","2","1","EF3011","Marczak, Maria; Biereg, Kinga; Zadykowicz, Beata; Sikorski, Artur","Structural characterization and theoretical calculations of the monohydrate of the 1:2 cocrystal salt formed from acriflavine and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2021","77","2","116","122","10.1107/S2053229621000681","","","0.71073","MoKα","","0.0353","0.0344","","","0.0894","0.0901","","","","","","1.059","","","","has coordinates,has Fobs","262767","2021-03-05","18:42:14",""
"2022336","8.4709","0.0007","14.1401","0.0011","21.031","0.0017","90","","91.88","0.003","90","","2517.7","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis[(2S~p~)-2-ethenylferrocen-1-yl]phenylphosphane sulfide","","- C30 H27 Fe2 P S -","- C30 H27 Fe2 P S -","- C120 H108 Fe8 P4 S4 -","4","2","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","","0.71073","MoKα","","0.0359","0.0315","","","0.069","0.0714","","","","","","1.032","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022345","11.6763","0.0001","7.2768","0.0001","22.3075","0.0001","90","","96.6429","0.0006","90","","1882.66","0.03","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(S)-(-)-α-4-dimethylbenzylamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","2","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.037","0.0366","","0.0944","0.0936","0.0944","","","","","","0.9862","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:43",""
"2022346","11.6739","0.0001","7.2783","0.0001","22.3071","0.0002","90","","96.638","0.0009","90","","1882.64","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(S)-(-)-α-4-dimethylbenzylamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","2","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.0723","0.0718","","0.1824","0.1812","0.1824","","","","","","0.9842","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:44",""
"2022373","9.9325","0.0004","9.0196","0.0003","12.3942","0.0004","90","","93.844","0.003","90","","1107.86","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒5-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 5-bromosalicylic acid","","- C22 H28 Br N O7 -","- C22 H28 Br N O7 -","- C44 H56 Br2 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0395","0.0336","","","0.0587","0.0611","","","","","","1.018","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022374","9.522","0.00019","9.3214","0.0002","13.3453","0.0003","90","","99.6446","0.0019","90","","1167.77","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒3,5-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 3,5-dibromosalicylic acid","","- C22 H27 Br2 N O7 -","- C22 H27 Br2 N O7 -","- C44 H54 Br4 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.033","0.0297","","","0.0646","0.0665","","","","","","1.034","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022375","11.0814","0.0002","9.28293","0.00018","11.1404","0.0002","90","","98.638","0.002","90","","1132.99","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒4-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 4-bromosalicylic acid","","- C22 H28 Br N O7 -","- C22 H28 Br N O7 -","- C44 H56 Br2 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0654","0.0676","","","","","","1.041","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022399","10.5897","0.0002","22.8595","0.0005","14.3102","0.0003","90","","92.524","0.002","90","","3460.78","0.12","136","2","136","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris[dimethyl 5-({1-[(pyridin-2-yl-κN)carbamoyl-κO]ethyl}carbamoyl)benzene-1,3-dicarboxylate]zinc(II) dinitrate acetonitrile trisolvate","","- C63 H66 N14 O24 Zn -","- C63 H66 N14 O24 Zn -","- C126 H132 N28 O48 Zn2 -","2","1","EF3020","Perić, Berislav; Kokan, Zoran; Kirin, Srećko I.","Induction of Λ-helicity in a zinc complex with an alanine-appended aminopyridine ligand","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006471","","","1.54184","CuKα","","0.0576","0.0538","","","0.1511","0.1549","","","","","","1.111","","","","has coordinates,has Fobs","267370","2021-07-08","05:16:17",""
"2022417","7.9933","0.0002","24.1126","0.0005","9.1926","0.0002","90","","105.003","0.002","90","","1711.38","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-({5-Fluoro-2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C18 H17 F4 N3 O -","- C18 H17 F4 N3 O -","- C72 H68 F16 N12 O4 -","4","2","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0592","0.0474","","","0.1314","0.1359","","","","","","1.028","","","","has coordinates,has disorder","268133","2021-08-19","01:42:50",""
"2022418","4.933","0.0005","10.9919","0.0006","17.4202","0.0014","90","","94.718","0.008","90","","941.38","0.13","296.6","0.3","296.6","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","2-({2-[(3aR,8aS)-8,8a-Dihydro-3aH-indeno[1,2-d]oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C22 H16 F3 N3 O -","- C22 H16 F3 N3 O -","- C44 H32 F6 N6 O2 -","2","1","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0606","0.0563","","","0.1537","0.1584","","","","","","1.072","","","","has coordinates","268133","2021-08-19","01:42:50",""
"2022419","7.4417","0.0001","9.8831","0.0001","43.0002","0.0006","90","","92.742","0.001","90","","3158.92","0.07","90","2","90","2","","","","","","","","2","P 1 21 1","P 2yb","4","Form I","5α,14α-Androstane, Form I","","- C19 H32 -","- C19 H32 -","- C152 H256 -","8","4","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0461","0.0445","","","0.1289","0.1328","","","","","","1.087","","","","has coordinates,has Fobs","268157","2021-08-21","01:46:31",""
"2022428","6.773","0.001","14.323","0.002","10.02","0.0014","90","","99.732","0.004","90","","958","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","Fluoranthene‒octafluoronaphthalene (1/1)","Fluoranthene‒1,2,3,4,5,6,7,8-octafluoronaphthalene (1/1)","","- C26 H10 F8 -","- C26 H10 F8 -","- C52 H20 F16 -","2","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.1449","0.0654","","","0.1052","0.1397","","","","","","1.049","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:01",""
"2022467","4.625","0.0001","24.0147","0.0007","7.6617","0.0002","90","","105.595","0.001","90","","819.64","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-glucopyranoside monohydrate","Methyl β-lactoside monohydrate","","- C13 H26 O12 -","- C13 H26 O12 -","- C26 H52 O24 -","2","1","EQ3002","Lin, Jieye; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-lactoside [methyl β-D-galactopyranosyl-(1\ρightarrow 4)-β-D-glucopyranoside] monohydrate: a solvomorphism study","Acta Crystallographica Section C","2021","77","10","668","674","10.1107/S2053229621009499","","","1.54178","CuKα","","0.0263","0.0261","","","0.0704","0.0706","","","","","","1.037","","","","has coordinates,has Fobs","269399","2021-09-30","02:20:38",""
"2022483","10.4266","0.0004","6.0539","0.0002","14.2168","0.0007","90","","90.261","0.004","90","","897.38","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-2-(Benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate","","- C15 H21 N O5 S Se -","- C15 H21 N O5 S Se -","- C30 H42 N2 O10 S2 Se2 -","2","1","YY2003","Rajegowda, H. R.; Suchetan, P. A.; Butcher, R. J.; Raghavendra Kumar, P.","Synthesis and absolute structure of (R)-2-(benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate: crystal structure and Hirshfeld surface analyses","Acta Crystallographica Section E Crystallographic Communications","2021","77","11","","","10.1107/S2056989021010409","","","0.71073","MoKα","","0.0549","0.0441","","","0.1012","0.1128","","","","","","0.989","","","","has coordinates,has Fobs","270047","2021-10-20","02:24:38",""
"2022500","5.5666","0.0004","8.7105","0.0006","9.8314","0.0007","90","","100.311","0.001","90","","469.01","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[(S)-2-amino-3-hydroxypropanoato-κ^2^N,O^1^]cobalt(II)]-μ-(S)-2-amino-3-hydroxypropanoato-κ^4^O^1^,O^3^:N,O^1'^]","","- C6 H12 Co N2 O6 -","- C6 H12 Co N2 O6 -","- C12 H24 Co2 N4 O12 -","2","1","OP3014","Dzesse T., Christelle N.; Majoumo-Mbe, Felicite; Nfor, Emmanuel N.; Bourne, Susan A.","A homochiral coordination polymer of cobalt(II) and L-serine","Acta Crystallographica Section C","2021","77","12","764","769","10.1107/S2053229621011347","","","0.71073","MoKα","","0.0217","0.021","","","0.0474","0.0477","","","","","","1.032","","","","has coordinates,has Fobs","271880","2022-01-06","22:35:45",""
"2022510","5.8737","0.0009","8.3842","0.0013","13.788","0.002","90","","95.025","0.002","90","","676.4","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[diaqua[μ~3~-(S)-2-(benzylamino)succinato-κ^4^N,O^1^:O^1'^:O^4^]cadmium(II)] monohydrate]","","- C11 H17 Cd N O7 -","- C11 H17 Cd N O7 -","- C22 H34 Cd2 N2 O14 -","2","1","YP3220","Liu, Yan; Zhang, Hong-Tao","A new two-dimensional folding sheet-like coordination polymer assembled from cadmium(II) and (S)-2-(benzylamino)succinic acid: synthesis, structure and properties","Acta Crystallographica Section C","2021","77","12","770","776","10.1107/S2053229621011578","","","0.71073","MoKα","","0.0378","0.0303","","","0.0609","0.0642","","","","","","0.941","","","","has coordinates,has Fobs","271884","2022-01-06","22:39:20",""
"2022512","5.1153","0.0003","7.1849","0.0004","18.4639","0.0009","90","","96.817","0.002","90","","673.8","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutamic acid–pyroglutamic acid–water (1/1/1)","2-Aminopentanedioic acid–5-oxopyrrolidine-2-carboxylic acid–water (1/1/1)","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C20 H36 N4 O16 -","2","1","EF3024","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis","Acta Crystallographica Section C Structural Chemistry","2022","78","2","","","10.1107/S2053229621013607","","","0.71073","MoKα","","0.0744","0.0505","","","0.1008","0.1157","","","","","","1.1218","","","","has coordinates,has Fobs","272038","2022-01-14","02:35:19",""
"2022513","5.1153","0.0003","7.1849","0.0004","18.4639","0.0009","90","","96.817","0.002","90","","673.8","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutamic acid–pyroglutamic acid–water (1/1/1)","2-Aminopentanedioic acid–5-oxopyrrolidine-2-carboxylic acid–water (1/1/1)","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C20 H36 N4 O16 -","2","1","EF3024","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis","Acta Crystallographica Section C Structural Chemistry","2022","78","2","","","10.1107/S2053229621013607","","","0.71073","MoKα","","0.0684","0.0455","","","0.0864","0.0959","","","","","","0.849","","","","has coordinates,has Fobs","272038","2022-01-14","02:35:19",""
"2022527","13.88124","0.00012","15.36081","0.00004","5.59335","0.00002","90","","94.9763","0.0004","90","","1188.16","0.012","","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","cynarine monohydrate","1,3-Bis{[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylic acid monohydrate","","- C25 H26 O13 -","- C25 H26 O13 -","- C50 H52 O26 -","2","1","CU3179","Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N.","Cynarine monohydrate from synchrotron powder X-ray diffraction data","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000687","powder diffraction","x-ray","0.45815","synchrotron","","","","","","0.07197","","","","1.226","","","","","","","has coordinates,has Fobs","272244","2022-01-26","02:54:21",""
"2022528","13.8811","","15.3608","","5.5934","","90","","94.98","","90","","1188.15","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O13 -","- C25 H26 O13 -","- C50 H52 O26 -","2","1","CU3179","Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N.","Cynarine monohydrate from synchrotron powder X-ray diffraction data","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000687","","","","","","","","","","","","","","","","","","","","","has coordinates","272244","2022-01-26","02:54:24",""
"2022545","7.6238","0.0007","23.318","0.002","12.655","0.0012","90","","100.677","0.0014","90","","2210.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","6,7,9,10,12,13,20,21-Octahydro-5,14-(ethanooxyethano)dibenzo[e,q]-[1,4,10,13,7,16]tetraoxadiazacyclooctadecine-23,27-dione","8,11,21,24,29-pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12,14,16-hexaene-27,31-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C96 H112 N8 O28 -","4","2","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0412","0.037","","","0.0868","0.0891","","","","","","1.004","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022597","5.9097","0.0001","7.7974","0.0002","11.7206","0.0003","90","","97.816","0.001","90","","535.07","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[triaqua(μ~4~-L-tartrato)cerium(III)] chloride]","","- C4 H10 Ce Cl O9 -","- C4 H10 Ce Cl O9 -","- C8 H20 Ce2 Cl2 O18 -","2","1","WP3026","Belhouas, Ratiba; Trifa, Chahrazed; Bouacida, Sofiane; Benmerad, Belkacem; Souici, Abdel Hafid; Boudaren, Chaouki; Merazig, Hocine","A new chiral rare-earth organic framework constructed by tartaric acid: synthesis, structural, thermal investigations and optical properties","Acta Crystallographica Section C","2022","78","5","314","321","10.1107/S2053229622004302","","x-ray","0.71073","MoKα","","0.0195","0.0189","","","0.0425","0.0428","","","","","","1.044","","","","has coordinates","274713","2022-04-27","01:43:09",""
"2022615","10.8409","0.0003","10.225","0.0002","16.4751","0.0005","90","","93.759","0.002","90","","1822.31","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turinabol","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","2","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1284","0.1357","","","","","","1.084","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:47",""
"2022632","5.9638","0.0002","8.4266","0.0003","11.0246","0.0004","90","","92.779","0.003","90","","553.38","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","HG5487","Zukerman-Schpector, Julio; Moro, Angélica V.; dos Santos, Marcelo R.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E: Crystallographic Communications","2017","73","5","746","751","10.1107/S2056989017005680","","","0.71073","MoKα","","0.0407","0.0358","","","0.09","0.0935","","","","","","1.026","","","","has coordinates,has Fobs","276692","2022-07-06","21:12:05",""
"2022648","7.9887","0.0004","6.6098","0.0003","11.4753","0.0006","90","","102.08","0.002","90","","592.52","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Creatininium 3-aminobenzoate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 3-aminobenzoate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C22 H28 N8 O6 -","2","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0589","0.0458","","","0.1159","0.1264","","","","","","1.041","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022705","9.7839","0.0011","10.2313","0.0011","18.272","0.002","90","","97.125","0.001","90","","1814.9","0.3","125.01","","125.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","5-[(E)-2-Chloroethenyl]-1,3,4-oxathiazol-2-one","","- C4 H2 Cl N O2 S -","- C4 H2 Cl N O2 S -","- C48 H24 Cl12 N12 O24 S12 -","12","6","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0494","0.0362","","","0.0767","0.0846","","","","","","1.049","","","","has coordinates,has Fobs","283574","2023-05-06","10:43:49",""
"2022706","6.5967","0.0002","24.1942","0.0009","9.1724","0.0003","90","","91.904","0.001","90","","1463.12","0.08","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-2,3-Dibromo-3-chloropropanamide","","- C3 H4 Br2 Cl N O -","- C3 H4 Br2 Cl N O -","- C24 H32 Br16 Cl8 N8 O8 -","8","4","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0551","0.0481","","","0.1331","0.1391","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022729","16.052","0.002","4.7635","0.0006","16.853","0.002","90","","101.702","0.008","90","","1261.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-nitrophenyl)thiocarbamate","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0586","0.0387","","","0.0761","0.0844","","","","","","1.01","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022730","6.6973","0.0005","21.2076","0.0017","9.1899","0.0007","90","","102.868","0.005","90","","1272.49","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-methoxyphenyl)thiocarbamate","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0787","0.0511","","","0.0998","0.1127","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","283598","2023-05-06","10:49:32",""
"2022731","6.9723","0.0013","20.166","0.003","8.2818","0.0014","90","","99.403","0.013","90","","1148.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-fluorophenyl)thiocarbamate","","- C11 H14 F N O S -","- C11 H14 F N O S -","- C44 H56 F4 N4 O4 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.1842","0.0677","","","0.1089","0.1432","","","","","","0.946","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022732","15.4173","0.0015","5.017","0.0005","16.2502","0.0015","90","","105.592","0.005","90","","1210.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-chlorophenyl)thiocarbamate","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C44 H56 Cl4 N4 O4 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0332","0.0272","","","0.0631","0.0663","","","","","","1.039","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022766","8.9485","0.0008","5.0612","0.0005","20.949","0.002","90","","96.585","0.007","90","","942.52","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Methylbenzyl)oxy]-N'-(4-nitrobenzylidene)benzohydrazide","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C44 H38 N6 O8 -","2","1","WM5682","Banna, Md Hasan Al; Sheikh, Md Chanmiya; Miyatake, Ryuta; Howlader, Md Belayet Hossain; Zangrando, Ennio","Crystal structure of 4-[(4-methyl-benz-yl)-oxy]-N'-(4-nitro-benzyl-idene)benzohydrazide: a new hydrazone derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","531","533","10.1107/S2056989023003948","","","0.71075","MoKα","","0.0867","0.0528","","","0.1136","0.1255","","","","","","1.035","","","","has coordinates,has Fobs","285061","2023-07-06","18:21:38",""
"2022783","6.2384","0.00006","7.4355","0.0001","18.32032","0.00017","90","","91.4183","0.0008","90","","849.539","0.016","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-(β-D-Glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","5-[(β-D-Glucopyranosyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","","- C15 H19 N3 O5 S2 -","- C15 H19 N3 O5 S2 -","- C30 H38 N6 O10 S4 -","2","1","YZ2035","Abu-Zaied, Mamdouh A.; Hebishy, Ali M. S.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","Crystal structure of 5-(β-D-glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005248","","x-ray","1.54184","CuKα","","0.0191","0.019","","","0.0496","0.0497","","","","","","1.031","","","","has coordinates,has Fobs","284690","2023-06-29","15:43:33",""
"2022785","15.2471","0.0001","19.8604","0.0001","15.5785","0.0001","90","","99.378","0.001","90","","4654.33","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(naphthalen-2-yl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron acetone hemisolvate","","- C127 H88 Fe2 N6 O3 -","- C127 H88 Fe2 N6 O3 -","- C254 H176 Fe4 N12 O6 -","2","1","","Bütikofer, André; Chen, Peter","Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300498X","","x-ray","1.54184","CuKα","","0.0388","0.0363","","","0.0985","0.0999","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","284691","2023-06-29","15:44:43",""
"2022804","3.7749","0.0002","7.3711","0.0005","14.4524","0.0009","90","","91.096","0.002","90","","402.07","0.04","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(1H-Imidazol-1-yl)benzaldehyde","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C20 H16 N4 O2 -","2","1","JY2032","McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","678","681","10.1107/S2056989023005480","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0788","0.079","","","","","","1.139","","","","has coordinates,has Fobs","284741","2023-07-01","01:50:09",""
"2022814","10.0459","0.0009","8.1011","0.0005","15.7052","0.0013","90","","103.372","0.007","90","","1243.48","0.17","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-{[(S)-Benzyl(methyl)amino]methylidene}pentane-2,4-dione","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","2","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.0661","0.0482","","","0.1157","0.1305","","","","","","1.053","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:12",""
"2022826","8.5446","0.0006","10.399","0.0007","8.6149","0.0006","90","","116.784","0.002","90","","683.35","0.08","297","2","297.15","","","","","","","","","3","P 1 21 1","P 2yb","4","N-Cyclohexyltryptamine","N-[2-(1H-Indol-3-yl)ethyl]cyclohexanamine","","- C16 H22 N2 -","- C16 H22 N2 -","- C32 H44 N4 -","2","1","TX2070","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.053","0.0476","","","0.1185","0.1237","","","","","","1.04","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:24",""
"2022854","8.8072","0.0012","17.795","0.002","16.222","0.002","90","","91.317","0.009","90","","2541.7","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C32 H28 F2 N2 O2 -","- C32 H28 F2 N2 O2 -","- C128 H112 F8 N8 O8 -","4","2","HB8074","Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K.","Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S205698902300748X","","","0.71073","MoKα","","0.147","0.1177","","","0.297","0.3238","","","","","","1.167","","","","has coordinates,has Fobs","286283","2023-09-09","01:36:18",""
"2022863","5.6","0.3","9.6","0.3","28.2","0.3","90","","90.3","0.09","90","","1516","10","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","quabodepistat-2,5-dihydroxybenzoicacid","5-{[(3R,4R)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy}-8-fluoro-3,4-dihydroquinolin-2(1H)-one–2,5-dihydroxybenzoic acid (1/1)","","- C28 H26 Cl F3 N2 O8 -","- C28 H26 Cl F3 N2 O8 -","- C56 H52 Cl2 F6 N4 O16 -","2","1","DJ2052","Sakamoto, Nasa; Gato, Katsuhiko","Crystal structure of a 1:1 co-crystal of quabodepistat (OPC-167832) with 2,5-dihydroxybenzoic acid using microcrystal electron diffraction","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023006047","","","0.0251","electron","","0.2455","0.1602","","","0.4121","0.4803","","","","","","1.075","","","","has coordinates","286428","2023-09-20","01:48:31",""
"2022890","6.9488","0.0017","9.982","0.002","20.881","0.005","90","","90.927","0.007","90","","1448.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Deferiprone-Catechol (2:3) cocrystal","","- C32 H36 N2 O10 -","- C32 H36 N2 O10 -","- C64 H72 N4 O20 -","2","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0639","0.0616","","","0.1666","0.1679","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","286864","2023-10-10","02:19:36",""
"2022949","5.5229","0.0002","11.9579","0.0005","22.5767","0.0009","90","","94.962","0.001","90","","1485.43","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one","","- C29 H44 N8 O -","- C29 H44 N8 O -","- C58 H88 N16 O2 -","2","1","HB8081","Zouhair, Mustapha; El Ghayati, Lhoussaine; El Monfalouti, Hanae; Abchihi, Hicham; Hökelek, Tuncer; Ahmed, Mazzah; Mague, Joel T.; Sebbar, Nada Kheira","Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1179","1182","10.1107/S2056989023009891","","","0.71073","MoKα","","0.0422","0.0356","","","0.086","0.09","","","","","","1.049","","","","has coordinates,has Fobs","288948","2024-01-07","11:51:35",""
"2022967","8.45319","0.00017","10.904","0.0003","8.7166","0.0002","90","","93.583","0.002","90","","801.87","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(tri-tert-butylphosphane sulfide-κS)gold","","- C12 H27 Au Cl P S -","- C12 H27 Au Cl P S -","- C24 H54 Au2 Cl2 P2 S2 -","2","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0214","0.0188","","","0.0324","0.0332","","","","","","1.035","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2023041","8.5784","0.0003","14.4797","0.0005","13.6961","0.0005","90","","96.052","0.004","90","","1691.75","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","(S)-8-{[(tert-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium triflate","(S)-8-{[(tert-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate","","- C28 H46 F3 N3 O7 S2 Si -","- C28 H46 F3 N3 O7 S2 Si -","- C56 H92 F6 N6 O14 S4 Si2 -","2","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (S)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","1.54184","CuKα","","0.0388","0.0368","","","0.0949","0.0971","","","","","","1.021","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:55",""
"2023063","7.8729","0.0012","5.5655","0.0008","15.492","0.002","90","","101.446","0.003","90","","665.31","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone","","- C13 H13 Cl F N O4 -","- C13 H13 Cl F N O4 -","- C26 H26 Cl2 F2 N2 O8 -","2","1","JY2039","Li, Victor; Yap, Glenn P. A.; Ni, Chaoying","Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","375","377","10.1107/S2056989024001920","","","1.54178","CuKα","","0.0511","0.0498","","","0.1346","0.1356","","","","","","1.083","","","","has coordinates","291724","2024-05-06","04:21:08",""
"2023082","8.2816","0.0002","17.4856","0.0003","14.9186","0.0003","90","","104.478","0.002","90","","2091.74","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1H-Imidazole-κN^3^)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ^3^O,N,O']copper(II)","","- C22 H23 Cu N5 O3 -","- C22 H23 Cu N5 O3 -","- C88 H92 Cu4 N20 O12 -","4","2","EE2005","Kaneda, Ai; Suzuki, Soma; Nakane, Daisuke; Kashiwagi, Yukiyasu; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002986","","x-ray","1.54184","CuKα","","0.0397","0.036","","","0.0932","0.0957","","","","","","1.052","","","","has coordinates","291225","2024-04-16","02:11:51",""
"2100110","8.4549","","6.6221","","9.0743","","90","","91.57","","90","","507.872","","","","","","","","","","","","","6","P 1 21 1","","","","","","- C6 H8 Mn N2 O6 S -","- C6 H6 Mn N2 O6 S -","- C12 H12 Mn2 N4 O12 S2 -","2","1","BK0148","Richard E. Marsh","Space group P1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100133","6.3425","0.0002","13.9448","0.0003","7.5021","0.0003","90","","107.66","0.0014","90","","632.25","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-Phenylethylammonium (R,R)-tartrate(1-)","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","1","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0364","0.0316","","","0.074","0.0772","","","","","","1.086","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100134","7.3025","0.0002","22.8901","0.0011","8.1193","0.0003","90","","96.599","0.002","90","","1348.19","0.09","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-Phenylethylammonium rac-tartrate(1-)","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0568","0.0473","","","0.121","0.1295","","","","","","1.058","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100135","7.2952","0.0002","22.8935","0.0011","8.11","0.0003","90","","96.603","0.002","90","","1345.49","0.09","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylammonium (R,R)-tartrate(1-)","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0621","0.0395","","","0.0813","0.0913","","","","","","1.038","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100136","5.562","0.0002","16.063","0.0003","11.826","0.0004","90","","103.281","0.0012","90","","1028.31","0.05","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","bis-(S)-1-Phenylethylammonium (R,R)-tartrate(2-)","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0418","0.035","","","0.0884","0.0937","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100137","8.3381","0.0014","22.738","0.004","10.819","0.0018","90","","90.12","0.003","90","","2051.2","0.6","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","bis-rac-1-Phenylethylammonium (R,R)-tartrate(2-)","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.69","synchrotron","","0.0558","0.0535","","","0.1499","0.1514","","","","","","1.163","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100146","5.651","0.0012","5.0642","0.001","9.3185","0.0019","90","","107.518","0.004","90","","254.31","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 F O -","- C6 H5 F O -","- C12 H10 F2 O2 -","2","1","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0427","0.0373","","0.0921","0.09","0.0921","","","","","","1.0473","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100147","5.6747","0.0009","5.076","0.0004","9.4753","0.0013","90","","107.832","0.011","90","","259.82","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 F O -","- C6 H5 F O -","- C12 H10 F2 O2 -","2","1","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0666","0.0638","","0.1604","0.159","0.1604","","","","","","1.1471","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100162","12.494","0.004","5.951","0.0017","16.719","0.005","90","","105.977","0.005","90","","1195.1","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-arginine complex","","","- C18 H38 N8 O8 -","- C18 H38 N8 O8 -","- C36 H76 N16 O16 -","2","1","DE5013","Vijayan, M","X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of L- and DL-arginine and supramolecular association in arginine‒dicarboxylic acid complexes","Acta Crystallographica Section B","2005","61","1","89","95","10.1107/S0108768104030010","","","0.71073","MoKα","","0.0428","0.0387","","","0.1084","0.1131","","","","","","0.855","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100208","10.926","0.002","25.284","0.005","29.954","0.006","90","","92.86","0.03","90","","8265","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C141.5 H238 Cl2 O80 -","- C141.61 H147.36 Cl2 O79.86 -","- C283.22 H294.72 Cl4 O159.72 -","2","1","NS5002","Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris","Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2005","61","2","207","217","10.1107/S0108768105004106","","","0.8015","synchrotron","","0.0799","0.0783","","","0.2278","0.2313","","","","","","1.148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100214","10.2677","0.0004","7.1108","0.0002","15.227","0.0006","90","","92.34","0.001","90","","1110.82","0.07","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.71073","MoKα","","0.0535","0.0405","","","0.0983","0.1065","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100217","12.0863","0.0003","6.8301","0.0002","13.1153","0.0004","90","","101.138","0.001","90","","1062.28","0.05","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O5 -","- C24 H34 O5 -","- C48 H68 O10 -","2","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0553","0.0375","","","0.0905","0.1006","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100300","8.7743","0.0003","9.4828","0.0003","9.167","0.0003","90","","113.609","0.002","90","","698.9","0.04","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 Cd3 O12 P2 -","- C6 Cd3 O12 P2 -","- C12 Cd6 O24 P4 -","2","1","BS5017","Bestaoui, Naima; Ouyang, Xiang; Fredoueil, Florence; Bujoli, Bruno; Clearfield, Abraham","Structural characterization of Cd~3~(O~3~PC~2~H~4~CO~2~)~2~·2H~2~O from in-house X-ray powder data and NMR","Acta Crystallographica Section B","2005","61","6","669","674","10.1107/S0108768105028387","","","1.5405","Kα~1~","","","","","","","","","","1.89","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100377","7.359","0.001","12.987","0.003","8.159","0.002","90","","105.95","0.03","90","","749.7","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-[Methoxy-(2-nitro-phenyl)-methyl]-2-oxo-3H-imidazo[1,2-a]pyridinium bromide","","- C15 H14 Br N3 O4 -","- C15 H14 Br N3 O4 -","- C30 H28 Br2 N6 O8 -","2","1","GP5003","Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.","Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP","Acta Crystallographica Section B","2006","62","1","135","142","10.1107/S0108768105033884","","","0.71073","MoKα","","0.0318","0.0278","","","0.0507","0.0518","","","","","","0.964","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100390","8.5992","0.0007","10.1263","0.0007","10.0412","0.0007","90","","98.364","0.004","90","","865.07","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","","- C21 H9 D14 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","OG5014","Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo","Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state","Acta Crystallographica Section B","2006","62","1","153","160","10.1107/S0108768105038656","","","0.71073","MoKα","","0.0278","0.0272","","","0.0616","0.0619","","","","","","1.074","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100391","8.7075","0.0005","10.2068","0.0006","10.0908","0.0009","90","","99.909","0.003","90","","883.45","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide & (3S)-2-benzyl-d~7~-3-phenyl-d~5~-2-azaspiro[3.5]nonane-3,5-d~2~-1-thione","","- C21 H9 D14 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","OG5014","Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo","Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state","Acta Crystallographica Section B","2006","62","1","153","160","10.1107/S0108768105038656","","","0.71073","MoKα","","0.0436","0.0427","","","0.1147","0.1158","","","","","","1.062","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100392","8.9117","0.0011","10.5512","0.0017","10.3463","0.0013","90","","102.589","0.008","90","","949.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide & (3R,5R)-2-benzyl-d~7~-3-phenyl-d~5~-2-azaspiro[3.5]nonane-3,5-d~2~-1-thione","","- C21 H9 D14 N S -","- C21 H9 D14 N S -","- C42 H18 D28 N2 S2 -","2","1","OG5014","Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo","Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state","Acta Crystallographica Section B","2006","62","1","153","160","10.1107/S0108768105038656","","neutron","1.51","neutron","","0.0793","0.0792","","","0.1967","0.1967","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100423","8.105","0.003","5.442","0.0008","10.916","0.004","90","","94.897","0.019","90","","479.7","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N O2 S -","- C3 H6 N O2 S -","- C12 H24 N4 O8 S4 -","4","2","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.2027","0.1437","","0.3324","0.162","0.162","","","","","","1.1464","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100462","5.7214","0.0003","20.8336","0.0011","6.9188","0.0005","90","","98.409","0.002","90","","815.84","0.08","150","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine besylate","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1125","0.0554","","","0.0956","0.1127","","","","","","1.012","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100463","5.7108","0.0001","34.0651","0.0007","6.659","0.0002","90","","90.09","","90","","1295.43","0.05","150","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine edisylate","","- C22 H36 N2 O8 S2 -","- C22 H36 N2 O8 S2 -","- C44 H72 N4 O16 S4 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1205","0.054","","","0.0965","0.1251","","","","","","0.984","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100466","9.5946","0.0004","6.0474","0.0003","10.8255","0.0005","90","","101.607","0.002","90","","615.28","0.05","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine glycolate","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C24 H38 N2 O8 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.067","0.0449","","","0.0873","0.0976","","","","","","1.081","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100467","7.2557","0.0003","6.1228","0.0003","12.5486","0.0006","90","","102.223","0.002","90","","544.84","0.04","150","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine hydrochloride","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0884","0.0657","","","0.1458","0.1558","","","","","","1.187","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100469","6.1312","0.0006","9.1719","0.001","13.7393","0.0017","90","","100.909","0.004","90","","758.66","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine L-(-)-malate","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1025","0.0598","","","0.1445","0.1851","","","","","","1.127","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100473","5.5309","0.0004","6.8501","0.0006","15.6906","0.0013","90","","97.243","0.006","90","","589.73","0.08","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine nitrate","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0671","0.0437","","","0.092","0.1025","","","","","","1.067","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100479","5.54","0.001","41.653","0.006","12.025","0.002","90","","90.33","0.01","90","","2774.8","0.8","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","","S,S-1,2-dicyclohexylethane-1,2-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","4","DE5024","Patrick, Brian O.; Brock, Carolyn Pratt","S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule","Acta Crystallographica, Section B: Structural Science","2006","62","3","488","497","10.1107/S0108768106000620","","","0.71073","MoKα","","0.084","0.056","","","0.13","0.144","","","","","","1.09","","","","has coordinates","210925","2020-10-21","18:00:00",""
"2100480","5.4816","0.0006","41.262","0.006","11.954","0.002","90","","90.39","0.01","90","","2703.7","0.7","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","S,S-1,2-dicyclohexylethane-1,2-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","4","DE5024","Patrick, Brian O.; Brock, Carolyn Pratt","S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule","Acta Crystallographica, Section B: Structural Science","2006","62","3","488","497","10.1107/S0108768106000620","","","0.71073","MoKα","","0.062","0.042","","","0.082","0.089","","","","","","1.03","","","","has coordinates","210925","2020-10-21","18:00:00",""
"2100518","6.27983","0.00003","7.83799","0.00004","5.46295","0.00003","90","","114.893","0.0004","90","","243.913","0.002","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H7 N O2 -","- C4 H7 N O2 -","- C8 H14 N2 O4 -","2","1","AV5050","Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero","Structures of (S)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data","Acta Crystallographica Section B","2006","62","4","606","611","10.1107/S0108768106013887","","","0.540211","synchrotron","","","","","","","","","","1.93","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100528","7.8036","0.0002","7.0914","0.0003","12.3424","0.0004","90","","101.742","0.002","90","","668.72","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E,E)-1-(2-nitrophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","1","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.71073","MoKα","","0.0445","0.04","","","0.1046","0.1069","","","","","","1.25","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100535","5.0855","0.0008","28.982","0.008","15.607","0.004","90","","90.37","0.02","90","","2300.2","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Chlorophenyl-2-chloronicotinamide","","- C12 H8 Cl2 N2 O -","- C12 H8 Cl2 N2 O -","- C96 H64 Cl16 N16 O8 -","8","4","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.1124","0.0686","","","0.1482","0.1691","","","","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100584","11.0552","0.0003","8.9521","0.0002","12.8921","0.0003","90","","96.3899","0.001","90","","1267.97","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3-iodophenyl)-2-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","2","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0215","0.0202","","","0.0452","0.0456","","","","","","1.108","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100619","14.0346","0.0008","9.8834","0.0007","25.617","0.002","90","","98.152","0.003","90","","3517.4","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H48 N4 O4 S -","- C37 H48 N4 O4 S -","- C148 H192 N16 O16 S4 -","4","2","GP5007","Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia","New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies","Acta Crystallographica, Section B","2006","62","4","889","896","10.1107/S0108768106018167","","","1.54184","CuKα","","0.1058","0.0748","","","0.1697","0.1868","","","","","","1.069","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100620","7.851","0.003","21.976","0.005","11.332","0.004","90","","90","0.03","90","","1955.2","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.087","0.0463","","","0.0806","0.0867","","","","","","1.148","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100622","7.851","0.002","22.048","0.004","11.325","0.003","90","","90.04","0.02","90","","1960.3","0.8","50","2","50","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.0867","0.0446","","","0.0972","0.1074","","","","","","1.003","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100623","7.855","0.002","22.105","0.004","11.317","0.003","90","","90.05","0.02","90","","1965","0.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.1051","0.0442","","","0.0823","0.0923","","","","","","1.006","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100624","7.861","0.002","22.163","0.004","11.315","0.003","90","","90.06","0.02","90","","1971.3","0.8","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.0971","0.0472","","","0.1088","0.1223","","","","","","1.005","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100684","7.478","0.002","18.007","0.002","11.416","0.002","90","","98.58","0.03","90","","1520","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium N-4-nitrobenzoyl-L-alaninate dimethanol solvate","","- C33 H40 N4 O9 -","- C33 H40 N4 O9 -","- C66 H80 N8 O18 -","2","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of N-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.0364","0.0335","","","0.0815","0.0833","","","","","","1.044","","","","has coordinates","211413","2020-10-21","18:00:00",""
"2100688","7.536","0.002","11.092","0.002","19.54","0.002","90","","98.55","0.03","90","","1615.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium hydrogen N-4-nitrobenzoyl-L-aspartate 3.75-hydrate","","- C32 H39.5 N4 O12.75 -","- C32 H38.5 N4 O12.75 -","- C64 H77 N8 O25.5 -","2","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of N-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.0602","0.049","","","0.1186","0.1258","","","","","","1.058","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100718","10.8125","0.0001","10.7232","0.0001","10.6883","0.0001","90","","95.746","0.001","90","","1233.02","0.02","100","","5","","","","","","","","","1","P 1 21 1","P 2yb","4","cyclo-octasulfur","sulfur","","- S8 -","- S8 -","- S48 -","6","3","WS5045","W. I. F. David; R. M. Ibberson; S. F. J. Cox; P. T. Wood","Order-disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffraction","Acta Crystallographica, Section B","2006","62","6","953","959","10.1107/S0108768106039309","","neutron","","time-of-flightneutron","","","","","","","","","","3.19","","","","","","","has coordinates,has disorder","287548","2023-11-11","13:26:51",""
"2100778","15.559","0.004","6.788","0.004","4.753","0.002","90","","92.31","0.02","90","","501.6","0.4","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H5 N2 Na O6 S -","- C7 N2 Na O6 S -","- C14 N4 Na2 O12 S2 -","2","1","BX0565","Rudert, R.; Buschmann, J.; Luger, P.; Trummlitz, G.","Structures of 4-methoxy-, 5-chloro-, 5-nitro- and 6-nitro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide sodium salt (4-methoxy-, 5-chloro-, 5-nitro- and 6-nitrosaccharin)","Acta Crystallographica Section B","1992","48","3","269","275","10.1107/S0108768191014738","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100881","6.559","0.001","5.451","0.001","20.463","0.002","90","","99","0.01","90","","722.61","0.19","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N4 O3 -","- C12 H20 N4 O3 -","- C24 H40 N8 O6 -","2","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of L-Leu-L-Tyr, Gly-D,L-Met.p-toluenesulfonate and L-His-L-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100886","14.233","0.002","9.271","0.001","11.804","0.002","90","","114.53","0.01","90","","1417","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O10 -","- C28 H36 O10 -","- C56 H72 O20 -","2","1","HE1000","Ciunik, Z.; Jarosz, S.","Structure of precursors of higher-carbon sugars","Acta Crystallographica Section B","1993","49","1","101","107","10.1107/S0108768192005391","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100908","8.322","0.004","6.801","0.002","12.885","0.003","90","","91.74","0.03","90","","728.9","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","AB0285","Larsen, S.; de Diego, H. L.","A study of two polymorphic modifications of (S)-1-phenylethylammonium (S)-mandelate and the structural features of diastereomeric mandelate salts","Acta Crystallographica Section B","1993","49","2","303","309","10.1107/S0108768192007377","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100909","11.2478","0.001","7.088","0.0006","14.684","0.002","90","","99.068","0.007","90","","1156","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","AB0286","Larsen, S.; de Diego, H. L.; Kozma, D.","Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (R)-mandelate and cinchoninium (S)-mandelate at low temperature","Acta Crystallographica Section B","1993","49","2","310","316","10.1107/S0108768192008371","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100915","4.864","0.001","17.071","0.002","9.397","0.001","90","","90.58","","90","","780.2","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N4 O8 -","- C12 H20 N4 O8 -","- C24 H40 N8 O16 -","2","1","AL0543","Prasad, G. S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXV. Structures of DL-proline hemisuccinic acid and glycyl-L-histidinium semisuccinate monohydrate and a comparative study of amino-acid and peptide complexes of succinic acid","Acta Crystallographica Section B","1993","49","2","348","356","10.1107/S0108768192008504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100931","7.185","0.002","10.85","0.006","9.6","0.004","90","","105.8","0.04","90","","720.1","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C30 H36 N4 O6 -","2","1","LI0138","Kojić-Prodić, B.; Nigović, B.; Puntarec, V.; Tomić, S.; Magnus, V.","Structural comparison of biologically active and inactive conjugates of α-amino acids and the plant growth hormone (auxin) indole-3-acetic acid","Acta Crystallographica Section B","1993","49","2","367","374","10.1107/S0108768192010115","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101000","5.5605","0.0019","8.124","0.002","17.662","0.01","90","","96.108","0.017","90","","793.3","0.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H24 S4 -","- C12 H24 S4 -","- C24 H48 S8 -","2","1","HA0116","Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M.","Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)","Acta Crystallographica Section B","1993","49","4","773","779","10.1107/S0108768193001910","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101001","12.1646","0.0005","5.5988","0.0002","12.389","0.002","90","","90.47","0.01","90","","843.75","0.14","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101025","8.712","0.005","13.306","0.007","9.531","0.006","90","","96.51","0.05","90","","1097.7","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101026","8.746","0.005","13.332","0.006","9.538","0.003","90","","96.6","0.03","90","","1104.8","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101027","8.777","0.002","13.39","0.003","9.54","0.002","90","","96.79","0.03","90","","1113.3","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101028","8.818","0.002","13.426","0.003","9.553","0.002","90","","96.93","0.02","90","","1122.7","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101029","8.818","0.006","13.713","0.006","9.419","0.005","90","","98.8","0.08","90","","1125.5","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H28 Co N6 O4 -","- C38 H56 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","206195","2020-10-21","18:00:00",""
"2101030","16.783","0.005","10.739","0.003","6.826","0.004","90","","99.76","0.04","90","","1212.5","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H33 Co N6 O6 -","- C19 H33 Co N6 O6 -","- C38 H66 Co2 N12 O12 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101031","16.938","0.006","10.758","0.004","6.848","0.005","90","","99.84","0.05","90","","1229.5","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H33 Co N6 O6 -","- C19 H33 Co N6 O6 -","- C38 H66 Co2 N12 O12 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(S)-1-cyanoethyl][(S)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101065","9.125","0.001","15.82","0.002","9.348","0.001","90","","102.57","0.01","90","","1317.1","0.3","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 Co N5 O8 -","- C22 H34 Co N5 O8 -","- C44 H68 Co2 N10 O16 -","2","1","AS0638","Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y.","Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group","Acta Crystallographica Section B","1993","49","6","1010","1014","10.1107/S0108768193007104","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101066","9.803","0.003","15.554","0.003","9.267","0.003","90","","117.24","0.02","90","","1256.3","0.7","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H36 Co N5 O9 -","- C18 H36 Co N5 O9 -","- C36 H72 Co2 N10 O18 -","2","1","AS0638","Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y.","Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group","Acta Crystallographica Section B","1993","49","6","1010","1014","10.1107/S0108768193007104","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101089","8.017","0.002","7.199","0.005","8.944","0.002","90","","98.29","","90","","510.8","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C22 H22 N6 O2 -","2","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101095","10.96","0.002","9.697","0.006","13.5885","0.0008","90","","98.544","0.009","90","","1428.1","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N3 O2 -","- C14 H16 Br N3 O2 -","- C56 H64 Br4 N12 O8 -","4","2","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101112","7.073","0.001","11.624","0.001","8.231","0.001","90","","96.79","0.01","90","","671.98","0.14","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O8 -","- C12 H12 N4 O8 -","- C24 H24 N8 O16 -","2","1","CR1059","Ammon, H. L.; Du, Z.; Holden, J. R.; Paquette, L. A.","Structure of 1,1,5,5-tetranitro-[4]peristylane. Structure solution from molecular packing analysis","Acta Crystallographica Section B","1994","50","2","216","220","10.1107/S0108768193009279","","","1.54178","CuKα","","","0.057","","","0.067","","","","","1.7","1.7","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101214","8.533","0.003","8.2238","0.0009","27.477","0.012","90","","96.13","0.03","90","","1917.1","1.1","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 S2 -","- C18 H20.5 Cl1.5 N2 O3 S2 -","- C72 H82 Cl6 N8 O12 S8 -","4","2","AB0324","Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.","Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium p-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds","Acta Crystallographica Section B","1994","50","6","762","771","10.1107/S0108768194004647","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101215","8.583","0.003","8.19","0.003","27.479","0.006","90","","95.7","0.02","90","","1922.1","1.1","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 S2 -","- C18 H20.5 Cl1.5 N2 O3 S2 -","- C72 H82 Cl6 N8 O12 S8 -","4","2","AB0324","Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.","Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium p-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds","Acta Crystallographica Section B","1994","50","6","762","771","10.1107/S0108768194004647","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101285","5.152","0.004","14.79","0.003","7.134","0.002","90","","106.14","0.04","90","","522.18","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 N2 O3 -","- C22 N4 O6 -","2","1","PA0296","Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.","Electron density study by X-ray and neutron diffraction of an NLO compound: N-(4-nitrophenyl)-L-prolinol. Description of quadratic hyperpolarizability","Acta Crystallographica Section B","1995","51","2","197","209","10.1107/S0108768194007391","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101286","5.164","0.002","14.796","0.008","7.108","0.005","90","","105.86","0.03","90","","522.4","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C22 H28 N4 O6 -","2","1","PA0296","Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.","Electron density study by X-ray and neutron diffraction of an NLO compound: N-(4-nitrophenyl)-L-prolinol. Description of quadratic hyperpolarizability","Acta Crystallographica Section B","1995","51","2","197","209","10.1107/S0108768194007391","","neutron","0.8308","neutron","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101287","5.152","0.004","14.79","0.003","7.134","0.002","90","","106.14","0.04","90","","522.18","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 N2 O3 -","- C22 N4 O6 -","2","1","PA0296","Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.","Electron density study by X-ray and neutron diffraction of an NLO compound: N-(4-nitrophenyl)-L-prolinol. Description of quadratic hyperpolarizability","Acta Crystallographica Section B","1995","51","2","197","209","10.1107/S0108768194007391","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101303","5.431","0.001","7.546","0.001","12.095","0.002","90","","93.42","0.01","90","","494.8","0.14","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C14 H32 N4 O8 -","2","1","AS0672","Suresh, S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of DL- and L-lysine formate","Acta Crystallographica Section B","1995","51","3","353","358","10.1107/S0108768194013546","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101305","13.619","0.009","5.232","0.002","6.062","0.003","90","","97.56","0.04","90","","428.2","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C18 H22 N2 O8 -","2","1","CR0467","Howard, S. T.; Hursthouse, M. B.; Lehmann, C. W.; Poyner, E. A.","Experimental and theoretical determination of electronic properties in L-dopa","Acta Crystallographica Section B","1995","51","3","328","337","10.1107/S0108768194011407","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101331","15.264","0.005","8.087","0.004","8.541","0.003","90","","93.44","0.05","90","","1052.4","0.7","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Br N2 O7 S -","- C17 H27 Br N2 O7 S -","- C34 H54 Br2 N4 O14 S2 -","2","1","AB0336","Stensland, B.; Csöregh, I.; Högberg, T.","Conformation of the two potential antipsychotic agents (‒)-(S)-3-bromo-5,6-dimethoxy-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463","Acta Crystallographica Section B","1995","51","5","847","856","10.1107/S0108768195001790","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101352","8.317","0.002","17.435","0.003","20.011","0.004","90","","90.43","0.03","90","","2901.7","1","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 -","- C16 H22 N2 -","- C128 H176 N16 -","8","4","GR0375","Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G.","Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length","Acta Crystallographica Section B","1995","51","5","823","835","10.1107/S0108768194013054","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","206196","2020-10-21","18:00:00",""
"2101358","11.64","0.003","9.257","0.002","12.103","0.004","90","","114.83","0.01","90","","1183.6","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C62 H46 N2 O4 -","2","1","HR0011","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-N-methylsuccinimide","Acta Crystallographica Section B","1995","51","5","856","863","10.1107/S0108768194014540","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101402","12.392","0.002","10.639","0.002","20.081","0.002","90","","91.51","0.02","90","","2646.5","0.7","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O9 -","- C26 H35 N O9 -","- C104 H140 N4 O36 -","4","2","CR0493","Karle, J. M.; Lin, Ai. J.","Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~","Acta Crystallographica Section B","1995","51","6","1063","1068","10.1107/S0108768195005581","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101433","12.803","0.003","8.165","0.002","9.612","0.002","90","","98.09","0.02","90","","994.8","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H30 I2 N2 O4 -","- C14 H30 I2 N2 O4 -","- C28 H60 I4 N4 O8 -","2","1","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101449","11.146","0.004","12.343","0.002","13.737","0.008","90","","107.92","0.05","90","","1798.2","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C72 H80 Cl4 N4 O16 -","4","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.1532","0.067","","0.2709","0.1749","","","","1.02","1.049","1.049","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2101536","7.333","0.006","7.93","0.02","10.81","0.02","90","","98","0.1","90","","622.5","","130","5","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 N4 O7 P -","- C6 H19 N4 O7 P -","- C12 H38 N8 O14 P2 -","2","1","PA0310","Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.","Electron density study of a new non-linear optical material: L-arginine phosphate monohydrate (LAP). Comparison between X‒X and X‒(X + N) refinements","Acta Crystallographica Section B","1996","52","3","519","534","10.1107/S0108768195015205","","neutron","0.8302","neutron","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101537","7.319","0.001","7.912","0.002","10.779","0.003","90","","98.05","0.02","90","","618","","130","3","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 N4 O7 P -","- C6 H19 N4 O7 P -","- C12 H38 N8 O14 P2 -","2","1","PA0310","Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.","Electron density study of a new non-linear optical material: L-arginine phosphate monohydrate (LAP). Comparison between X‒X and X‒(X + N) refinements","Acta Crystallographica Section B","1996","52","3","519","534","10.1107/S0108768195015205","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101538","7.319","0.001","7.912","0.002","10.779","0.003","90","","98.05","0.02","90","","618","","130","3","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 N4 O7 P -","- C6 H19 N4 O7 P -","- C12 H38 N8 O14 P2 -","2","1","PA0310","Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.","Electron density study of a new non-linear optical material: L-arginine phosphate monohydrate (LAP). Comparison between X‒X and X‒(X + N) refinements","Acta Crystallographica Section B","1996","52","3","519","534","10.1107/S0108768195015205","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101546","13.226","0.001","7.871","0.002","14.028","0.001","90","","104.71","0.01","90","","1412.5","0.4","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O5 -","- C28 H51 N O5 -","- C56 H102 N2 O10 -","2","1","AS0702","Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.","Structures of three inclusion compounds of cholanamide with either (S)-enantiomer, (R)-enantiomer or an optically resolved mixture of butan-2-ol","Acta Crystallographica Section B","1996","52","4","728","733","10.1107/S0108768196004569","","","0.71073","MoKα","","","0.05","","","0.06","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101547","13.286","0.001","7.853","0.001","14.075","0.001","90","","105.12","0.01","90","","1417.7","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O5 -","- C28 H51 N O5 -","- C56 H102 N2 O10 -","2","1","AS0702","Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.","Structures of three inclusion compounds of cholanamide with either (S)-enantiomer, (R)-enantiomer or an optically resolved mixture of butan-2-ol","Acta Crystallographica Section B","1996","52","4","728","733","10.1107/S0108768196004569","","","0.71073","MoKα","","","0.068","","","0.082","","","","","2.63","2.63","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101548","13.251","0.001","7.869","0.001","14.045","0.001","90","","104.82","0.01","90","","1415.8","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O5 -","- C28 H53 N O5 -","- C56 H106 N2 O10 -","2","1","AS0702","Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.","Structures of three inclusion compounds of cholanamide with either (S)-enantiomer, (R)-enantiomer or an optically resolved mixture of butan-2-ol","Acta Crystallographica Section B","1996","52","4","728","733","10.1107/S0108768196004569","","","0.71073","MoKα","","","0.051","","","0.058","","","","","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101610","5.9803","0.0006","4.7996","0.0006","8.1599","0.0011","90","","93.477","0.01","90","","233.78","0.05","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K Li O5 Si2 -","- K Li O5 Si2 -","- K2 Li2 O10 Si4 -","2","1","NA0075","de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V.","Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates","Acta Crystallographica Section B","1996","52","5","770","776","10.1107/S0108768196001656","","","0.71073","MoKα","","","0.0331","","","0.0864","","","","","1.23","1.23","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101635","6.487","0.002","5.505","0.002","16.741","0.004","90","","97.22","0.02","90","","593.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Glu-L-Val","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","HA0146","Görbitz, C. H.; Backe, P. H.","Structures of L-valyl-L-glutamine and L-glutamyl-L-valine","Acta Crystallographica Section B","1996","52","6","999","1006","10.1107/S0108768196006817","","","0.71069","MoKα","","0.0656","0.0473","","0.1115","0.1043","","","","1.029","1.074","1.074","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101636","5.709","0.002","5.707","0.002","5.708","0.002","90","","90.01","0.01","90","","186","0.1","293","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Cu S2 -","- Cu S2 -","- Cu4 S8 -","4","2","HU1045","Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure","Acta Crystallographica Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","0.71073","MoKα","","","0.051","","","0.051","","","","","0.6521","0.6521","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101637","5.704","0.003","5.703","0.003","5.704","0.003","90","","89.99","0.02","90","","185.5","0.2","293","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Cu S2 -","- Cu S2 -","- Cu4 S8 -","4","2","HU1045","Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure","Acta Crystallographica Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","0.71073","MoKα","","","0.034","","","0.033","","","","","0.9515","0.9515","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101638","5.9078","0.0005","24.542","0.002","5.9151","0.0006","90","","102.039","0.007","90","","838.76","0.13","295","2","","","","","","","","","","4","P 1 21 1","","","","","","- C14 H26 N4 O4 -","- C14 H2 N4 O4 -","- C28 H4 N8 O8 -","2","1","JS0028","Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G.","Hexamethylenetetramine suberate, a strongly anharmonic modulated structure","Acta Crystallographica Section B","1996","52","6","1036","1047","10.1107/S0108768196009937","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101639","5.835","0.001","24.202","0.002","5.813","0.001","90","","101.59","0.01","90","","804.2","0.2","295","2","","","","","","","","","","4","P 1 21 1","","","","","","- C14 H26 N4 O4 -","- C14 H2 N4 O4 -","- C28 H4 N8 O8 -","2","1","JS0028","Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G.","Hexamethylenetetramine suberate, a strongly anharmonic modulated structure","Acta Crystallographica Section B","1996","52","6","1036","1047","10.1107/S0108768196009937","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101694","16.228","0.005","8.442","0.004","13.113","0.004","90","","110.26","0.01","90","","1685.3","1.1","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","PA0300","Rahal, M.; Chasseau, D.; Gaultier, J.; Ducasse, L.; Kurmoo, M.; Day, P.","Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)~2~Cu(NCS)~2~ [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]","Acta Crystallographica Section B","1997","53","1","159","167","10.1107/S0108768195012122","","","0.71073","MoKα","","","0.051","","","0.06","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101695","16.138","0.003","8.3","0.001","12.829","0.003","90","","111.27","0.02","90","","1601.3","0.6","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","PA0300","Rahal, M.; Chasseau, D.; Gaultier, J.; Ducasse, L.; Kurmoo, M.; Day, P.","Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)~2~Cu(NCS)~2~ [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]","Acta Crystallographica Section B","1997","53","1","159","167","10.1107/S0108768195012122","","","0.71073","MoKα","","","0.098","","","0.052","","","","","2.4","2.4","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101706","8.356","0.002","10.842","0.002","8.544","0.002","90","","94.13","0.02","90","","772","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-ortho-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","2","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","1.54184","CuKα","","0.0294","0.0287","","0.0759","0.0749","","","","1.104","1.102","1.102","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101707","8.493","0.003","5.8426","0.0007","15.628","0.003","90","","104.1","0.02","90","","752.1","0.3","112","0.5","112","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-meta-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","2","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","1.54184","CuKα","","0.0329","0.0292","","0.0873","0.0827","","","","1.052","1.057","1.057","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101860","5.7444","0.0003","17.314","0.0008","4.6903","0.0004","90","","106.77","0.01","90","","446.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D-galactonic acid hydrazide","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","KA0031","André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.","Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate","Acta Crystallographica Section B","1997","53","3","490","497","10.1107/S0108768196012906","","","1.5418","CuKα","","0.0225","0.0214","","0.0596","0.0558","","","","1.118","1.092","1.092","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101861","4.78","0.001","13.603","0.002","14.822","0.003","90","","98.83","0.01","90","","952.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-galactonic acid hydrazide hemihydrate","","- C12 H30 N4 O13 -","- C12 H30 N4 O13 -","- C24 H60 N8 O26 -","2","1","KA0031","André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.","Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate","Acta Crystallographica Section B","1997","53","3","490","497","10.1107/S0108768196012906","","","0.71069","MoKα","","0.0736","0.0441","","0.0981","0.0802","","","","1.123","1.075","1.075","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101873","6.41","0.003","32.808","0.011","11.222","0.002","90","","100.67","0.02","90","","2319.2","1.4","122","1","122","1","","","","","","","","4","P 1 21 1","P 2yb","4","","cinchonidinium (R)-mandelate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","2","AB0369","Gjerløv, A.; Larsen, S.","A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues","Acta Crystallographica Section B","1997","53","4","708","718","10.1107/S0108768197003480","","","1.54184","CuKα","","0.0389","0.038","","0.1007","0.0991","","","","1.029","1.027","1.027","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101952","9.958","0.002","11.546","0.002","15.726","0.002","90","","96.9","0.01","90","","1795","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","Chloro-bis(trichlorophosphazeno)methyl hexachlorophosphate","[N-(chloroformimidoyl)phosphorimidic trichloridato]trichlorophosphorus hexachlorophosphate","","- C Cl13 N2 P3 -","- C Cl13 N2 P3 -","- C4 Cl52 N8 P12 -","4","2","SE0217","Belaj, F.","Structures of the Phosphazenes [ClC(NPCl~3~)~2~]^+^PCl~6~^{-^} and [CH~3~C(NPCl~3~)~2~]^+^SbCl~6~^{-^} at 90 K","Acta Crystallographica Section B","1997","53","6","953","960","10.1107/S0108768197008343","","","0.71069","MoKα","","0.0433","0.0313","","0.0854","0.0748","","","","1.063","1.052","1.052","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101995","10.0041","0.0002","41.5502","0.0007","10.2715","0.0001","90","","112.746","0.001","90","","3937.52","0.11","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Tris(2-aminoethyl)amine-4,4'-biphenol-methanol (1/3/1)","","- C86 H104 N8 O14 -","- C86 H104 N8 O14 -","- C172 H208 N16 O28 -","2","1","NA0096","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F.","Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol","Acta Crystallographica Section B","2000","56","1","68","84","10.1107/S0108768199009714","","","0.71073","MoKα","","0.0837","0.0572","","","","0.1433","","","","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102052","9.6772","0.0001","13.8988","0.0002","8.9432","0.0001","90","","96.322","0.001","90","","1195.56","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(3-cyanopropyl)[(R)-1-phenylethylamine]cobaloxime","","- C20 H4 Co D27 N6 O4 -","- C20 H31 Co N6 O4 -","- C40 H62 Co2 N12 O8 -","2","1","SE0292","Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. II. 3‒1 Photoisomerization of a cobaloxime complex","Acta Crystallographica Section B","2000","56","2","245","253","10.1107/S0108768199012008","","","0.71073","MoKα","","0.0292","0.0262","","","","0.0701","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102053","9.1579","0.0001","13.9694","0.0002","9.2757","0.0001","90","0.005","99.954","0.001","90","0.005","1168.78","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(3-cyanopropyl)[(R)-1-phenylethylamine]cobaloxime","","- C20 H4 Co D27 N6 O4 -","- C19.9988 H30.9982 Co N5.9997 O4 -","- C39.9976 H61.9964 Co2 N11.9994 O8 -","2","1","SE0292","Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction II. 3-1 Photoisomerization of a Cobaloxime Complex","Acta Crystallographica, Section B","2000","56","2","245","253","10.1107/S0108768199012008","","","0.71073","MoKa","","0.0566","0.0471","","","","0.1177","","","0.976","1.072","1.072","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2102054","9.1579","0.0001","13.9694","0.0002","9.2757","0.0001","90","0.005","99.954","0.001","90","0.005","1168.78","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(3-cyanopropyl)[(R)-1-phenylethylamine]cobaloxime","","- C20 H4 Co D27 N6 O4 -","- C20 H3.7196 Co D24.9376 N6 O4 -","- C40 H7.4392 Co2 D49.8752 N12 O8 -","2","1","SE0292","Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction II. 3-1 Photoisomerization of a Cobaloxime Complex","Acta Crystallographica, Section B","2000","56","2","245","253","10.1107/S0108768199012008","","neutron","1.06","Neutron","","0.1076","0.1065","","","","0.2853","","","1.108","1.107","1.107","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102074","6.2321","0.0003","9.9264","0.0006","12.812","0.0008","90","","97.079","0.005","90","","786.54","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-Oxa-4-androsten-3,17-dione","2-Oxa-4-androsten-3,17-dione","","- C18 H24 O3 -","- C18 H24 O3 -","- C36 H48 O6 -","2","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.0412","0.0342","","","","0.0919","","","","","","1.056","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102077","6.2214","0.0007","12.05","0.001","10.888","0.001","90","","103.07","0.01","90","","795.1","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","6alpha-hydroxy-2-oxaandrost-4-ene-3,17-dione","6alpha-hydroxy-2-oxaandrost-4-ene-3,17-dione","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.0377","0.0359","","0.1052","0.1013","","","","1.073","1.075","1.075","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102080","6.2246","0.0007","12.014","0.001","10.915","0.001","90","","103.09","0.01","90","","795.04","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-Oxa-4-androsten-3,17-dione and 2-Oxa-6beta-hydroxy-4-androsten-3,17-dione","2-Oxa-4-androsten-3,17-dione and 2-Oxa-6beta-hydroxy-4-androsten-3,17-dione","","- C18 H24 O4 -","- C18 H23.721 O3.721 -","- C36 H47.442 O7.442 -","2","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.0334","0.0321","","","","0.088","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102098","9.854","0.004","7.136","0.002","9.7388","0.0001","90","","115.887","0.012","90","","616.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-lysine complexed with maleic acid","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","HA0195","J.V. Pratap; R. Ravishankar; M.Vijayan","X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with L-histidine and L-lysine","Acta Crystallographica Section B","2000","56","4","690","696","10.1107/S0108768100002202","","","0.7093","MoKα","","0.1163","0.0573","","0.1689","0.1351","","","","1.064","1.053","1.053","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102102","7.537","0.001","10.183","0.001","20.843","0.001","90","","94.93","0.01","90","","1593.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 O10 Si -","- C29 H44 O10 Si -","- C58 H88 O20 Si2 -","2","1","NS0003","Dillen, Jan L.M.; Bredenkamp, Martin W.; Prinsloo, Mare-Loe","Single crystal structure and molecular dynamics analysis of a myo-inositol derivative","Acta Crystallographica Section B","2000","56","4","738","743","10.1107/S0108768100005309","","","0.7107","MoKα","","0.0742","0.0513","","","","0.1281","","","","","","1.027","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102103","7.5722","0.0004","10.2402","0.0005","21.1352","0.0009","90","","96.188","0.002","90","","1629.29","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 O10 Si -","- C29 H44 O10 Si -","- C58 H88 O20 Si2 -","2","1","NS0003","Dillen, Jan L.M.; Bredenkamp, Martin W.; Prinsloo, Mare-Loe","Single crystal structure and molecular dynamics analysis of a myo-inositol derivative","Acta Crystallographica Section B","2000","56","4","738","743","10.1107/S0108768100005309","","","0.7107","MoKα","","0.0839","0.0726","","","","0.198","","","","","","1.111","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102122","9.6706","0.0001","5.2583","0.0001","14.1018","0.0002","90","","98.033","0.001","90","","710.053","0.018","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","OS0046","Dalhus, Bjørn; Görbitz, Carl Henrik","Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid","Acta Crystallographica Section B","2000","56","4","720","727","10.1107/S0108768100002810","","","0.71073","MoKα","","0.0714","0.0483","","0.1237","0.108","","","","1.062","1.074","1.074","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102148","8.3686","0.0003","6.7077","0.0003","11.123","0.0004","90","","111.265","0.002","90","","581.87","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) Threonine","","- C9 H13 N5 O5 -","- C9 H13 N5 O5 -","- C18 H26 N10 O10 -","2","1","NA0105","Low, John N.; Ferguson, George; Glidewell, Christopher","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2000","56","5","882","892","10.1107/S0108768100005437","","","0.71073","MoKα","","0.0498","0.0367","","","","0.0946","","","","","","1.029","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102154","10.1301","0.0002","6.3474","0.0001","11.1133","0.0002","90","","106.644","0.008","90","","684.64","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dinitro-4'-methyldiphenyl disulfide","","- C13 H10 N2 O4 S2 -","- C13 H10 N2 O4 S2 -","- C26 H20 N4 O8 S4 -","2","1","NA0107","Glidewell, Christopher; Low, John N; Wardell, James L","Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates","Acta Crystallographica Section B","2000","56","5","893","905","10.1107/S0108768100007114","","","0.71073","MoKα","","0.0437","0.0392","","","","0.1069","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102216","8.4484","0.0008","8.4322","0.0008","19.404","0.002","90","","90.539","0.007","90","","1382.3","0.2","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 Cl2 Fe N12 O8 -","- C20 H16 Cl2 Fe N12 O8 -","- C40 H32 Cl4 Fe2 N24 O16 -","2","1","BM5003","Money, Victoria A.; Radosavljevic Evans, Ivana; Elhaïk, Jerome; Halcrow, Malcolm A.; Howard, Judith A. K.","An X-ray powder diffraction study of the spin-crossover transition and structure of bis(2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate","Acta Crystallographica Section B","2004","60","1","41","45","10.1107/S0108768103027897","","","","","","","","","","","","","","3.58","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102237","7.5557","0.0003","13.9726","0.0006","29.4179","0.0012","90","","91.803","0.002","90","","3104.2","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H80.246 Ca2 N20 O28.123 -","- C40 H80 Ca2 N20 O28.123 -","- C80 H160 Ca4 N40 O56.246 -","2","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0402","0.0366","","","0.0832","0.0845","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102307","6.073","0.001","5.47","0.001","8.318","0.001","90","","103.16","0.01","90","","269.06","0.07","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Na2 O5 S2 -","- Na2 O5.075 S2 -","- Na4 O10.15 S4 -","2","1","BK0141","Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W.","The surprisingly elusive crystal structure of sodium metabisulfite","Acta Crystallographica Section B","2004","60","2","155","162","10.1107/S0108768104003325","","","0.71073","MoKα","","","0.04","","","","0.1096","","","","","","1.067","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102472","9.2758","","10.736","","9.853","","90","","106.51","","90","","940.756","","","","","","","","","","","","","7","P 1 21 1","","4","","","","- C12 H19 I N2 O6 S Si -","- C12 H19 I N2 O6 S Si -","- C24 H38 I2 N4 O12 S2 Si2 -","2","1","BK0142","Marsh, Richard E.","Space group Cc: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102563","7.7795","0.0002","19.6931","0.0006","4.90643","0.00011","90","","103.691","0.0015","90","","730.32","0.03","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","hygroscopic alpha-lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","LC5007","Cyril Platteau; Jacques Lefebvre; Frederic Affouard; Patrick Derollez","Ab initio structure determination of the hygroscopic anhydrous form of α-lactose by powder X-ray diffraction","Acta Crystallographica Section B","2004","60","4","453","460","10.1107/S0108768104014375","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102575","5.0472","0.0002","11.3381","0.0005","16.8796","0.0007","90","","94.331","0.003","90","","963.19","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-carboethoxy-6-benzyloxy-4-methoxymethyl-beta carboline","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0543","0.0434","","","0.0978","0.1033","","","","","","1.077","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102579","10.5077","0.0009","13.2881","0.0012","13.515","0.0012","90","","101.924","0.001","90","","1846.3","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","knime","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu methanol","","- C34 H45 N5 O7 S2 -","- C34 H45 N5 O7 S2 -","- C68 H90 N10 O14 S4 -","2","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0349","0.0333","","","0.0835","0.0846","","","","","","1.026","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102581","10.6395","0.0007","13.213","0.0009","14.6921","0.001","90","","98.931","0.001","90","","2040.4","0.2","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","knia","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu diacetone","","- C39 H53 N5 O8 S2 -","- C39 H53 N5 O8 S2 -","- C78 H106 N10 O16 S4 -","2","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0295","0.0286","","","0.0729","0.0736","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102757","6.1515","0.0009","4.7875","0.0005","20.748","0.003","90","","97.54","0.007","90","","605.75","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine, P2~1~ polymorph","","- C12 H9 Cl N4 O3 -","- C12 H9 Cl N4 O3 -","- C24 H18 Cl2 N8 O6 -","2","1","WS5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2007","63","1","101","110","10.1107/S0108768106041358","","","0.71073","MoKα","","0.1772","0.0739","","","0.1357","0.1644","","","","","","0.957","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102811","9.907","0.002","8.7428","0.0018","14.076","0.003","90","","109.412","0.003","90","","1149.9","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-arginine L-tartaric acid complex","","- C16 H34 N8 O10 -","- C16 H34 N8 O10 -","- C32 H68 N16 O20 -","2","1","BK5044","Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid","Acta Crystallographica Section B","2007","63","3","459","468","10.1107/S010876810701107X","","","0.71073","MoKα","","0.0358","0.0339","","","0.0868","0.0881","","","","","","1.064","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102813","5.1849","0.0011","16.667","0.004","7.6701","0.0017","90","","96.366","0.004","90","","658.7","0.3","2983","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-lysine D-hydrogen tartrate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C20 H40 N4 O16 -","2","1","BK5044","Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid","Acta Crystallographica Section B","2007","63","3","459","468","10.1107/S010876810701107X","","","0.71073","MoKα","","0.0459","0.0401","","","0.0879","0.0902","","","","","","1.126","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102814","5.1022","0.0011","17.444","0.004","7.547","0.002","90","","97.748","0.004","90","","665.6","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-lysine L-hydrogen tartrate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C20 H40 N4 O16 -","2","1","BK5044","Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid","Acta Crystallographica Section B","2007","63","3","459","468","10.1107/S010876810701107X","","","0.71073","MoKα","","0.0508","0.0482","","","0.1144","0.116","","","","","","1.132","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102846","9.948","0.0002","7.9637","0.0002","4.9826","0.0001","90","","83.13","0.01","90","","391.902","0.017","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","L-ornithine Hydrochloride","","","- C5 H13 Cl N2 O2 -","- C5 H13 Cl N2 O2 -","- C10 H26 Cl2 N4 O4 -","2","1","SN5050","Dittrich, B.; Munshi, P.; Spackman, M. A.","Redetermination, invariom-model and multipole refinement of L-ornithine hydrochloride","Acta Crystallographica Section B","2007","63","3","505","509","10.1107/S0108768107014838","","","0.7107","MoKα","","0.0157","0.0136","","","","0.0089","","","","","","1.7983","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2102853","5.8751","0.0002","27.9972","0.0008","5.0132","0.0002","90","","94.528","0.001","90","","822.03","0.05","90","2","90","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","(S,S)-2,3-tetralindiol","1,2,3,4-tetrahydro-(S,S)-2,3-naphthalenediol","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","1.54178","CuKα","","0.036","0.036","","","0.0873","0.0873","","","","","","1.12","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102854","5.877","0.001","28.029","0.004","5.015","0.001","90","","94.51","0.01","90","","823.5","0.2","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","(S,S)-2,3-tetralindiol","1,2,3,4-tetrahydro-(S,S)-2,3-naphthalenediol","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0456","0.0347","","","0.0673","0.0713","","","","","","1.063","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102855","5.886","0.001","28.108","0.004","5.029","0.001","90","","94.35","0.01","90","","829.6","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","(S,S)-2,3-tetralindiol","1,2,3,4-tetrahydro-(S,S)-2,3-naphthalenediol","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0549","0.0394","","","0.0725","0.078","","","","","","1.062","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103138","10.3137","0.0003","45.2095","0.0012","15.5891","0.0004","90","","105.171","0.001","90","","7015.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Val-L-Phe trihydrate","","- C14 H26 N2 O6 -","- C14.0095 H25.8456 N2.0015 O5.99387 -","- C224.152 H413.53 N32.024 O95.902 -","16","8","OS0088","Görbitz, Carl Henrik","b Turns, water cage formation and hydrogen bonding in the structures of L-Valyl-L-phenylalanine","Acta Crystallographica, Section B","2002","58","3","512","518","10.1107/S010876810200277X","","","0.71073","MoKα","","0.0793","0.0751","","","0.2056","0.2081","","","","","","1.196","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103267","10.443","0.0013","4.4665","0.0006","14.11","0.002","90","","92.954","0.005","90","","657.27","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-Bipyridyl‒(2R,3R)-tartaric acid (1/1)","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C28 H28 N4 O12 -","2","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0774","0.0479","","","0.1073","0.1236","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103268","6.4043","0.0003","9.086","0.0005","9.3734","0.0004","90","","109.006","0.003","90","","515.7","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Piperazine‒(2R,3R)-tartaric acid (1/1)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0471","0.0369","","","0.0837","0.0883","","","","","","1.034","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103284","7.483","0.0002","16.611","0.0006","13.5378","0.0006","90","","91.542","0.0011","90","","1682.14","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl N-(2-amino-6-benzyloxo-5-nitrosopyrimidin-4-yl)-β-alaninate","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0688","0.0551","","","0.1384","0.1492","","","","","","1.033","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103304","5.321","0.001","6.293","0.001","17.65","0.004","90","","93.65","0.03","90","","589.8","0.2","20","0.1","20","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","methylbenzylaminonitropyridine (MBANP)","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","AN0602","Cole, Jacqueline M.; Goeta, Andrés E.; Howard, Judith A. K.; McIntyre, Garry J.","X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20K: charge-density and hydrogen-bonding analyses","Acta Crystallographica Section B","2002","58","4","690","700","10.1107/S0108768102006109","","neutron","0.83717","neutron","","0.0803","0.0732","","0.1111","0.1051","","","","2.557","2.632","2.632","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103305","8.352","0.003","8.57","0.003","8.909","0.004","90","","93.98","0.02","90","","636.1","0.4","20","0.1","20","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","methylbenzylaminodinitropyridine","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AN0602","Cole, Jacqueline M.; Goeta, Andrés E.; Howard, Judith A. K.; McIntyre, Garry J.","X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20K: charge-density and hydrogen-bonding analyses","Acta Crystallographica Section B","2002","58","4","690","700","10.1107/S0108768102006109","","neutron","0.83717","neutron","","0.0324","0.0291","","0.0518","0.0464","","","","1.471","1.484","1.484","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103306","8.352","0.003","8.57","0.003","8.909","0.004","90","","93.98","0.02","90","","636.1","0.4","20","0.2","20","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","methylbenzylaminodinitropyridine","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AN0602","Cole, Jacqueline M.; Goeta, Andrés E.; Howard, Judith A. K.; McIntyre, Garry J.","X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20K: charge-density and hydrogen-bonding analyses","Acta Crystallographica Section B","2002","58","4","690","700","10.1107/S0108768102006109","","","0.71073","MoKα","","0.0347","0.0333","","","0.1124","0.1146","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103323","5.3287","0.0015","25.534","0.003","8.2421","0.0015","90","","97","0.02","90","","1113.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Histidine-Malonicacid-complex","","","- C18 H26 N6 O12 -","- C9 H13 N3 O6 -","- C36 H52 N12 O24 -","4","2","DE0016","Saraswathi, N.T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXIX. Crystal structures of malonic acid complexes of DL- and L-histidine. Preservation of aggregation pattern on reversal of chirality","Acta Crystallographica Section B","2002","58","4","734","739","10.1107/S0108768102008819","","","1.5418","CuKα","","0.0743","0.0517","","","0.1165","0.1365","","","","","","1.032","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103410","7.7169","0.0002","8.0514","0.0002","7.0334","0.0002","90","","110.274","0.001","90","","409.924","0.019","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-nitrobenzenesulfonamide","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C12 H12 N4 O8 S2 -","2","1","BM0052","Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher","Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique","Acta Crystallographica Section B","2002","58","5","823","834","10.1107/S0108768102011928","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103472","11.61","0.004","5.4416","0.0011","12.217","0.005","90","","101.47","0.03","90","","756.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 O -","- C6 H6 O -","- C36 H36 O6 -","6","3","BM0050","Allan, David R.; Clark, Stewart J.; Dawson, Alice; McGregor, Pamela A.; Parsons, Simon","Pressure-induced polymorphism in phenol","Acta Crystallographica Section B","2002","58","6","1018","1024","10.1107/S0108768102018797","","","0.71073","MoKα","","0.1146","0.0863","","","0.257","0.2777","","","","","","0.975","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103488","15.4797","0.0009","25.5892","0.0015","9.2973","0.0005","90","","98.976","0.007","90","","3637.7","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","β-cyclodextrin mefenamic acid inclusion complex","","- C55.5 H13.5 N0.9 O36.8 -","- C55.5 H13.5 N0.9 O36.8 -","- C111 H27 N1.8 O73.6 -","2","1","NA0142","Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk","Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations","Acta Crystallographica Section B","2002","58","6","1036","1043","10.1107/S010876810201947X","","","0.800807","synchrotron","","","","","","","","","","6.08","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103489","15.4797","0.0005","25.5892","0.001","9.2973","0.0004","90","","98.976","0.003","90","","3637.7","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","β-cyclodextrin/mefenamic acid inclusion complex","","- C55.5 H13.5 N0.9 O36.8 -","- C55.5 H13.5 N0.9 O36.8 -","- C111 H27 N1.8 O73.6 -","2","1","NA0142","Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk","Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations","Acta Crystallographica Section B","2002","58","6","1036","1043","10.1107/S010876810201947X","","","0.800807","synchrotron","","","","","","","","","","7.08","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103496","8.0795","0.0018","5.8794","0.0009","12.852","0.002","90","","94.53","0.02","90","","608.6","0.19","122","0.5","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S-PEA)(S-LA)H2O","S-1-Phenylethylammonium S-Lactate Monohydrate","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C22 H38 N2 O8 -","2","1","OS0096","Langkilde, Annette; Oddershede, Jette; Larsen, Sine","Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities","Acta Crystallographica Section B","2002","58","6","1044","1050","10.1107/S0108768102013824","","","1.5418","CuKα","","0.0274","0.0274","","","0.0732","0.0732","","","","","","0.97","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103546","10.7972","0.0013","8.8272","0.0011","11.9248","0.0014","90","","110.794","0.002","90","","1062.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Co(trien)(L-ile)](ClO4)2","(L-isoleucinato)-(triethylenetetramine)-cobalt(III) diperchlorate","","- C12 H30 Cl2 Co N5 O10 -","- C12 H30 Cl2 Co N5 O10 -","- C24 H60 Cl4 Co2 N10 O20 -","2","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0538","0.0496","","","","0.1266","","","","","","1.054","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103547","8.9877","0.0007","8.8829","0.0007","12.8157","0.001","90","","101.577","0.001","90","","1002.35","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Co(trien)(L-val)](ClO4)2","(L-valinato)-(triethylenetetramine)-cobalt(III) diperchlorate","","- C11 H28 Cl2 Co N5 O10 -","- C11 H28 Cl2 Co N5 O10 -","- C22 H56 Cl4 Co2 N10 O20 -","2","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0463","0.0446","","","","0.123","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103562","7.5775","0.0013","4.8971","0.0013","12.5686","0.0014","90","","94.195","0.012","90","","465.14","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 Cl N2 O -","- C6 H15 Cl N2 O -","- C12 H30 Cl2 N4 O2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0754","0.0688","","","","0.1872","","","","","","1.659","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103563","5.3377","0.0008","7.4572","0.0009","9.899","0.001","90","","91.73","0.01","90","","393.84","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O -","- C5 H13 Cl N2 O -","- C10 H26 Cl2 N4 O2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0379","0.0369","","","","0.0967","","","","","","0.747","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103565","7.562","0.002","4.9986","0.0018","8.519","0.003","90","","90.76","0.03","90","","321.98","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H9 Cl N2 O2 -","- C3 H9 Cl N2 O2 -","- C6 H18 Cl2 N4 O4 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0514","0.0499","","","","0.1619","","","","","","1.582","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103566","7.591","0.003","5.029","0.003","11.786","0.004","90","","96.49","0.03","90","","447","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O S -","- C5 H13 Cl N2 O S -","- C10 H26 Cl2 N4 O2 S2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0637","0.0592","","","","0.1634","","","","","","1.439","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103567","7.6394","0.0011","5.2786","0.0013","14.5967","0.0014","90","","100.047","0.01","90","","579.59","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N3 O -","- C11 H14 Cl N3 O -","- C22 H28 Cl2 N6 O2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0307","0.03","","","","0.0945","","","","","","0.913","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103569","7.741","0.002","4.8907","0.0013","10.8159","0.001","90","","94.18","0.013","90","","408.39","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H12 Cl N3 O2 -","- C5 H12 Cl N3 O2 -","- C10 H24 Cl2 N6 O4 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0426","0.0425","","","","0.1368","","","","","","1.387","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103593","6.2238","0.0002","8.1389","0.0002","7.3637","0.0002","90","","101.146","0.0017","90","","365.971","0.018","20","0.1","20","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl-alpha xylofuranoside","Methyl-alpha xylofuranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C12 H24 O10 -","2","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","neutron","0.95284","neutron","","0.0408","0.0399","","","","0.1024","","","","","","1.108","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103619","12.845","0.005","14.575","0.003","13.779","0.002","90","","117.72","0.02","90","","2283.6","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O7 -","- C24 H31 O7 -","- C96 H124 O28 -","4","2","AN0566","Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F.","X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection","Acta Crystallographica Section B","2001","57","3","339","345","10.1107/S0108768100015184","","","1.5418","CuKα","","0.1001","0.0619","","0.1688","0.1506","","","","0.908","1.144","1.144","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103620","12.605","0.005","14.458","0.003","13.588","0.002","90","","117.12","0.02","90","","2204.1","1.1","15","","15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O7 -","- C25.44 H30.08 O5.925 -","- C101.76 H120.32 O23.7 -","4","2","AN0566","Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F.","X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection","Acta Crystallographica Section B","2001","57","3","339","345","10.1107/S0108768100015184","","","","","","0.0493","0.0462","","0.132","0.1184","","","","0.779","0.779","0.779","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103640","7.7771","0.0008","7.9991","0.0007","14.9762","0.0016","90","","94.629","0.001","90","","928.63","0.16","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","13","1-Methyl-6-methoxy-4-methlthio-1,3,5-triazine-2(1H)-thione","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","2","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.71073","MoKα","","0.0614","0.05","","","","0.1196","","","","","","1.051","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103666","7.393","0.0004","19.95","0.001","12.163","0.0006","90","","97.77","0.004","90","","1777.45","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid monoamide","","- C18 H15.3 N O7.15 -","- C18 H14.85 N O7.15 -","- C72 H59.4 N4 O28.6 -","4","2","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0805","0.0381","","","","0.072","","","","","","0.842","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103670","8.901","0.001","11.272","0.001","10.414","0.001","90","","99.47","0.01","90","","1030.62","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N,N'-trimethyldiamide","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0426","0.0305","","","","0.0837","","","","","","1.039","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103672","8.127","0.001","14.109","0.002","8.733","0.001","90","","97.97","0.01","90","","991.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N,N-dimethylamide) monomethylester","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C42 H42 N2 O14 -","2","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","1.54178","CuKα","","0.0341","0.0326","","","","0.0893","","","","","","1.062","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103673","7.749","0.002","14.144","0.004","9.063","0.002","90","","110.34","0.02","90","","931.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-Dimethyl(2R,3S)-2,3-dibenzoyloxy-3-cyanopropanamide","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0962","0.0435","","","","0.1065","","","","","","1.005","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103701","16.0665","0.0015","12.5929","0.0011","9.644","0.0011","90","","94.626","0.009","90","","1944.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) initial","","- C16 H23 Co N6 O4 -","- C16 H23 Co N6 O4 -","- C64 H92 Co4 N24 O16 -","4","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.0911","0.0522","","","","0.1733","","","","","","1.019","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103702","16.023","0.005","12.6272","0.0018","9.628","0.002","90","","94.23","0.02","90","","1942.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H23 Co N6 O4 -","- C16 H23 Co N6 O4 -","- C64 H92 Co4 N24 O16 -","4","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.1137","0.0438","","","","0.155","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103703","16.023","0.005","12.627","0.002","9.628","0.002","90","","94.23","0.02","90","","1942.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H22 Co D N6 O4 -","- C16 H22 Co D N6 O4 -","- C64 H88 Co4 D4 N24 O16 -","4","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","neutron","1.06","Neutron","","0.1321","0.132","","0.3278","0.3276","","","","3.303","3.311","3.311","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103723","10.478","0.003","7.213","0.002","16.384","0.002","90","","99.58","0.02","90","","1221","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 N O2 -","- C27 H47 N O2 -","- C54 H94 N2 O4 -","2","1","AN0583","Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A.","Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its N-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of Trypanosoma cruzi","Acta Crystallographica Section B","2001","57","5","714","721","10.1107/S0108768101013234","","","0.71069","MoKα","","0.074","0.047","","0.1404","","0.1157","","","0.991","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103843","7.7206","0.0003","11.6677","0.0005","12.583","0.0005","90","","105.653","0.002","90","","1091.46","0.08","150","1","150","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3S)-Camphoric acid","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1R,3S)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0555","0.04","","","0.097","0.1053","","","","","","1.046","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103854","8.5312","0.0015","4.8321","0.0008","10.125","0.002","90","","92.031","0.016","90","","417.13","0.13","122.4","0.5","122.4","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","R-(+)-2-phenoxypropionic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","OS0103","Sørensen, Henning Osholm; Larsen, Sine","Hydrogen bonding in enantiomeric versus racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid","Acta Crystallographica Section B","2003","59","1","132","140","10.1107/S0108768102022085","","","1.54184","CuKα","","0.0222","0.022","","","0.0583","0.0584","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103881","15.394","0.007","31.995","0.012","15.621","0.007","90","","103.738","0.015","90","","7474","6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","beta-cyclodextrin/benzidine complex","","","- C108 H112 N4 O94.72 -","- C108 H112 N4 O94.71 -","- C216 H224 N8 O189.42 -","2","1","NS0010","Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M.","Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes","Acta Crystallographica Section B","2003","59","2","287","299","10.1107/S010876810300257X","","","1.5418","CuKα","","0.1238","0.0868","","","0.224","0.259","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104078","10.0104","0.0003","8.1056","0.0001","12.5372","0.0003","90","","109.717","0.005","90","","957.63","0.05","175","","175","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S,5S)-3,5-diphenyl-2-(4-methoxyphenyl)- [1,4,2]-oxazaphosphorinane2-oxide","","- C22 H22 N O3 P -","- C22 H22 N O3 P -","- C44 H44 N2 O6 P2 -","2","1","GP5020","van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.","Structure-directing weak phosphoryl XH···O=P (X = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes","Acta Crystallographica Section B","2008","64","2","196","205","10.1107/S0108768107061770","","","0.71073","MoKα","","0.0765","0.0484","","0.051","0.0456","0.0456","","","","","","1.109","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104211","11.05278","0.00019","7.50396","0.00009","10.1632","0.0002","90","","89.996","0.006","90","","842.93","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","thiophene","deuterated thiophene","","- C4 D4 S -","- C4 D4 S -","- C32 D32 S8 -","8","4","KD5024","Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.","Orientational ordering in the low-temperature stable phases of deuterated thiophene","Acta Crystallographica Section B","2008","64","5","589","595","10.1107/S0108768108015103","","neutron","2.45","Neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104212","11.02171","0.00018","7.42951","0.0001","10.09755","0.00018","90","","89.989","0.005","90","","826.85","0.02","1.5","","1.5","","","","","","","","","3","P 1 21 1","P 2yb","4","thiophene","deuterated thiophene","","- C4 D4 S -","- C4 D4 S -","- C32 D32 S8 -","8","4","KD5024","Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.","Orientational ordering in the low-temperature stable phases of deuterated thiophene","Acta Crystallographica Section B","2008","64","5","589","595","10.1107/S0108768108015103","","neutron","2.45","Neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104247","6.3758","0.0013","7.1703","0.0014","8.6281","0.0017","90","","100.64","0.03","90","","387.66","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-2-phenylpropionic acid","","- C9 H10 O2 -","- C9 H10 O2 -","- C18 H20 O4 -","2","1","BS5070","Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.","Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide","Acta Crystallographica Section B","2008","64","6","780","790","10.1107/S0108768108034526","","","0.71073","MoKα","","0.0398","0.0336","","","0.0847","0.0902","","","","","","0.984","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104248","6.428","0.0013","7.1935","0.0014","8.6507","0.0017","90","","100.41","0.03","90","","393.42","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-2-phenylpropionic acid","","- C9 H10 O2 -","- C9 H10 O2 -","- C18 H20 O4 -","2","1","BS5070","Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.","Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide","Acta Crystallographica Section B","2008","64","6","780","790","10.1107/S0108768108034526","","","0.71073","MoKα","","0.0547","0.0403","","","0.0921","0.1","","","","","","1.074","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104272","8.6224","0.0002","7.0489","0.0002","9.8061","0.0002","90","","106.486","0.002","90","","571.5","0.02","100","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C12 H32 Cl4 N4 O6 -","2","1","WS5058","Dittrich, B.; McKinnon, J. J.; Warren, J. E.","Improvement of anisotropic displacement parameters from invariom-model refinements for three L-hydroxylysine structures","Acta Crystallographica Section B","2008","64","6","750","759","10.1107/S0108768108032163","","","0.7107","MoKα","","0.0385","0.0231","","","","0.0181","","","","","","1.73","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104344","8.5689","0.0017","5.7805","0.0011","11.553","0.002","90","","109.975","0.003","90","","537.83","0.18","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","calcium(II) strontium(II) tellurium(IV) oxide (0.55/0.45/1/3)","","- Ca0.55 O3 Sr0.45 Te -","- Ca0.553667 O3 Sr0.446333 Te -","- Ca3.322 O18 Sr2.678 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~x~Sr~1{-~x}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0197","0.0192","","","0.0443","0.0445","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104345","8.4941","0.0006","5.7368","0.0004","11.4562","0.0008","90","","110.081","0.001","90","","524.31","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ca0.77Sr0.23TeO3","calcium(II) strontium(II) tellurium(IV) oxide (0.77/0.23/1/3)","","- Ca0.77 O3 Sr0.23 Te -","- Ca0.771 O3 Sr0.229 Te -","- Ca4.626 O18 Sr1.374 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~x~Sr~1{-~x}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0194","0.019","","","0.0445","0.045","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104347","8.5689","0.0017","5.7805","0.0011","11.553","0.002","90","","109.975","0.003","90","","537.83","0.18","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","calcium(II) strontium(II) tellurium(IV) oxide (0.55/0.45/1/3) idealised","","- Ca0.55 O3 Sr0.45 Te -","- Ca O3 Te -","- Ca6 O18 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~x~Sr~1{-~x}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104348","8.4941","0.0006","5.7368","0.0004","11.4562","0.0008","90","","110.081","0.001","90","","524.31","0.06","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","calcium(II) strontium(II) tellurium(IV) oxide (0.77/0.23/1/3) - idealised","","- Ca O3 Te -","- Ca O3 Te -","- Ca6 O18 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~x~Sr~1{-~x}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104372","6.3073","0.0001","17.6438","0.0004","9.5481","0.0002","90","","96.552","0.001","90","","1055.62","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C36 H48 N10 O8 P6 -","2","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes via chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0294","0.0282","","","0.0645","0.0654","","","","","","1.01","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104404","19.985","","5.632","","8.634","","90","","101.02","","90","","953.885","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Bi16 Mo6 O42 -","- Bi16 Mo6 -","- Bi16 Mo6 -","1","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(n~+2)Mo~n~O~6(n~+1) (n = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104406","14.53","","5.648","","8.662","","90","","97.979","","90","","703.969","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Bi12 Mo4 O30 -","- Bi12 Mo4 -","- Bi12 Mo4 -","1","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(n~+2)Mo~n~O~6(n~+1) (n = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104446","14.697","0.0009","9.036","0.002","7.4677","0.0007","90","","90.224","0.001","90","","991.7","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Al2.667 Eu3 N21.333 O1.667 Si13.333 -","- Al2.667 Eu3 N21.3332 O1.6668 Si13.3332 -","- Al5.334 Eu6 N42.6664 O3.3336 Si26.6664 -","2","1","SN5084","Michiue, Yuichi; Shioi, Kousuke; Hirosaki, Naoto; Takeda, Takashi; Xie, Rong-Jun; Sato, Akira; Onoda, Mitsuko; Matsushita, Yoshitaka","Eu~3~Si~15{-~x}Al~1+x~O~x~N~23{-~x} (x ≃5/3) as a commensurate composite crystal","Acta Crystallographica Section B","2009","65","5","567","575","10.1107/S0108768109030419","","","0.71069","MoKα","","0.0573","0.0534","","","0.1134","0.1148","","","","","","2.15","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104549","10.911","0.003","17.863","0.005","5.573","0.003","90","","93.4","0.03","90","","1084.3","0.7","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","2-Phenyl-1-(4-methoxyphenyl)-5-(5-(tricyanoethenyl)-2-thienyl)pyrrole","","- C26 H16 N4 O S -","- C26 H16 N4 O S -","- C52 H32 N8 O2 S2 -","2","1","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104551","13.6779","0.0013","10.8762","0.001","16.0769","0.0014","90","","90.024","0.002","90","","2391.7","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","trans-(1,4-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene)2Cu2Cl4","trans-bis(mu(2)-(1,4-bis((S)-4-isopropyl-4,5-dihydro-oxazol-2-yl)benzene))- tetrachloro-di-copper(ii)","","- C36 H48 Cl4 Cu2 N4 O4 -","- C36 H48 Cl4 Cu2 N4 O4 -","- C72 H96 Cl8 Cu4 N8 O8 -","2","1","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104556","10.281","0.007","15.338","0.01","13.684","0.009","90","","92.126","0.001","90","","2156","2","","","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H42 Cl2 F6 Fe N2 P Pd Sb -","- C41 H42 Cl2 F6 Fe N2 P Pd Sb -","- C82 H84 Cl4 F12 Fe2 N4 P2 Pd2 Sb2 -","2","1","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","x-ray","0.71073","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104576","11.0167","0.0008","8.9139","0.0008","14.87","0.001","90","","105.508","","90","","1407.1","0.19","113.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2'-bis(Methoxymethoxy)-3-(2,2-dimethylindanon-5-yl)-(R)-1,1'-binaphthyl","","- C35 H32 O5 -","- C35 H32 O5 -","- C70 H64 O10 -","2","1","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104577","7.9747","0.0003","15.2901","0.0006","10.4868","0.0004","90","","99.03","","90","","1262.85","0.08","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","PdCl2(t-Bu-QuinoxP*)","((R,R)-2,3-bis((t-butyl)methylphosphino)quinoxaline)-dichloro-palladium dichloromethane solvate","","- C19 H30 Cl4 N2 P2 Pd -","- C19 H30 Cl4 N2 P2 Pd -","- C38 H60 Cl8 N4 P4 Pd2 -","2","1","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104599","13.1083","0.0002","20.455","0.0004","13.113","0.0003","90","","89.977","0.001","90","","3515.99","0.12","100","2","","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","bis(bis(6-t-butyl-2-pyridinyl)amido)-zinc(ii)","","- C36 H48 N6 Zn -","- C36 H48 N6 Zn -","- C144 H192 N24 Zn4 -","4","2","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104607","7.89","0.09","5.76","0.03","11.18","0.07","90","","90.4","0.2","90","","508","7","","","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5R,6S)-6-Methyl-2-phenyl-4-oxa-1-azabicyclo[3,2,0]heptane-7-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","BK5088","Marsh, Richard E.","Space groups P1 and Cc: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104630","27.82406","0.00016","5.35267","0.00004","5.16992","0.00003","90","","92.0469","0.0004","90","","769.48","0.009","298","","298","","","","","","","","via synthetic","4","P 1 21 1","P 2yb","4","","(S)-4-decyloxycarbonyl-2-azetidinone","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C28 H50 N2 O6 -","2","1","KD5033","Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.","Molecular and crystalline structures of three (S)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data","Acta Crystallographica Section B","2009","65","6","724","730","10.1107/S0108768109036386","powder diffraction","x-ray","0.850227","","","","","","","","","0.08634","","1.76","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104631","31.08412","0.00033","5.35782","0.00004","5.21197","0.00005","90","","94.1094","0.0007","90","","865.786","0.014","298","","298","","","","","","","","via synthetic","4","P 1 21 1","P 2yb","4","","(S)-4-dodecyloxycarbonyl-2-azetidinone","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C32 H58 N2 O6 -","2","1","KD5033","Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.","Molecular and crystalline structures of three (S)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data","Acta Crystallographica Section B","2009","65","6","724","730","10.1107/S0108768109036386","powder diffraction","x-ray","0.850227","","","","","","","","","0.06302","","1.87","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104632","37.15863","0.00033","5.35911","0.00005","5.30974","0.00005","90","","92.1693","0.0006","90","","1056.61","0.017","298","","298","","","","","","","","via synthetic","4","P 1 21 1","P 2yb","4","","(S)-4-hexadecyloxycarbonyl-2-azetidinone","","- C20 H37 N O3 -","- C20 H37 N O3 -","- C40 H74 N2 O6 -","2","1","KD5033","Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.","Molecular and crystalline structures of three (S)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data","Acta Crystallographica Section B","2009","65","6","724","730","10.1107/S0108768109036386","powder diffraction","x-ray","0.850227","","","","","","","","","0.06998","","2.22","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104657","6.5299","0.0005","7.6432","0.0006","11.6081","0.0009","90","","93.59","0.005","90","","578.22","0.08","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.057","0.0528","","0.0555","0.0547","0.0555","","","","","","1.1771","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104658","6.4946","0.0004","7.6198","0.0003","11.5599","0.0017","90","","93.306","0.007","90","","571.12","0.09","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0432","0.0355","","0.0392","0.0354","0.0354","","","","","","0.8985","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104659","6.3782","0.0003","7.4754","0.0003","11.445","0.0013","90","","92.591","0.007","90","","545.14","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0361","0.0288","","0.03","0.0267","0.0267","","","","","","0.8801","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104660","10.2176","0.0008","8.2463","0.0005","12.6853","0.0017","90","","114.238","0.009","90","","974.61","0.18","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0948","0.0682","","0.0904","0.0667","0.0667","","","","","","0.9493","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104661","9.9602","0.0009","8.1894","0.0006","12.475","0.002","90","","113.06","0.011","90","","936.3","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0805","0.0529","","0.0785","0.0533","0.0533","","","","","","0.9869","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104662","9.7934","0.0008","8.1603","0.0005","12.3534","0.0017","90","","112.384","0.009","90","","912.86","0.17","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0737","0.0553","","0.0691","0.0593","0.0593","","","","","","1.0205","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104663","9.7046","0.0005","8.1477","0.0003","12.3071","0.0013","90","","112.034","0.006","90","","902.05","0.12","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0743","0.0584","","0.0824","0.0639","0.0639","","","","","","0.9996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104664","9.6213","0.0011","8.129","0.0008","12.298","0.003","90","","112.049","0.013","90","","891.5","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0861","0.0672","","0.0919","0.0742","0.0742","","","","","","0.959","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104665","9.5437","0.0017","8.1824","0.0012","12.151","0.004","90","","111.3","0.02","90","","884.1","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.1495","0.1111","","0.1976","0.1263","0.1263","","","","","","0.7378","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104691","9.614","0.006","5.227","0.003","21.385","0.013","90","","100.326","0.007","90","","1057.2","1.1","110","2","110","2","101","1","","","","","","4","P 1 21 1","P 2yb","4","L-Abu","(S)-2-aminobutyric acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","PS5004","Görbitz, Carl Henrik","L-2-Aminobutyric acid: two fully ordered polymorphs with Z' = 4","Acta Crystallographica Section B","2010","66","2","253","259","10.1107/S0108768110005732","","","0.71073","MoKα","","0.0619","0.0578","","","0.1619","0.1647","","","","","","1.12","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104760","9.8642","0.0001","5.9636","0.0001","12.3046","0.0002","90","","93.115","0.001","90","","722.763","0.018","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3NA SA double salt","","","- H20 N8 O13 S -","- H20 N8 O13 S -","- H40 N16 O26 S2 -","2","1","KD5044","Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.","Structures of relevant ammonium salts in fertilizers","Acta Crystallographica Section B","2010","66","3","358","365","10.1107/S0108768110015430","","","0.71073","MoKα","","0.0201","0.0195","","","0.0504","0.0504","","","","","","1.088","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104761","9.9566","0.0003","5.9332","0.0002","12.4161","0.0003","90","","92.817","0.002","90","","732.59","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","3NA SA double salt","","","- H20 N8 O13 S -","- H20 N8 O13 S -","- H40 N16 O26 S2 -","2","1","KD5044","Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.","Structures of relevant ammonium salts in fertilizers","Acta Crystallographica Section B","2010","66","3","358","365","10.1107/S0108768110015430","","","0.71073","MoKα","","0.0647","0.0449","","","0.097","0.0776","","","","","","1.016","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104793","8.60296","0.00025","9.6593","0.00026","5.05388","0.00015","90","","91.4224","0.0019","90","","419.84","0.02","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cu O4 P Rb -","- Cu O4 P Rb -","- Cu4 O16 P4 Rb4 -","4","2","KD5046","Henry, Paul F.; Kimber, Simon A. J.; Argyriou, Dimitri N.","Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO~4~","Acta Crystallographica Section B","2010","66","4","412","421","10.1107/S0108768110020720","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104817","9.7954","0.0007","28.071","0.002","12.519","0.0009","90","","96.349","0.001","90","","3421.2","0.4","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","Trans-1-(3, 5-di-t-butylphenyl)-2-(3, 4-benzo-5, 7-di-t-butylphenanthrenyl)-ethylene","","- C42 H50 -","- C42 H50 -","- C168 H200 -","4","2","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.1645","0.0662","","","0.1402","0.1862","","","","","","1","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104839","3.7715","0.0001","13.1451","0.0002","8.3333","0.0002","90","","102.138","0.001","90","","403.902","0.016","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,4,6-trichlorophenylazide","2,4,6-trichlorophenylazide","","- C6 H2 Cl3 N3 -","- C6 H2 Cl3 N3 -","- C12 H4 Cl6 N6 -","2","1","OG5042","Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi","Direct observation of arylnitrene formation in the photoreaction of arylazide crystals","Acta Crystallographica Section B","2010","66","6","639","646","10.1107/S0108768110036608","","","0.71073","MoKα","","0.0235","0.0227","","","0.0543","0.0545","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104851","5.619","0.0002","10.0392","0.0003","10.7068","0.0002","90","","92.4862","0.0015","90","","603.4","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71073","MoKα","","0.0279","0.027","","","0.0686","0.0695","","","","","","1.068","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104852","7.8134","0.0003","6.5487","0.0002","12.1725","0.0004","90","","95.0641","0.0017","90","","620.41","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71073","MoKα","","0.0364","0.032","","","0.0781","0.0806","","","","","","1.054","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104853","8.0807","0.0007","6.6311","0.0006","12.0895","0.0009","90","","96.428","0.007","90","","643.73","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71069","MoKα","","0.0511","0.0399","","","0.1012","0.1077","","","","","","1.047","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104875","8.4202","0.0002","24.7788","0.0004","13.4204","0.0003","90","","91.673","0.0011","90","","2798.87","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N2 O2.5 -","- C15 H19 N2 O2.5 -","- C120 H152 N16 O20 -","8","4","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.7107","MoKα","","0.0712","0.0535","","","0.126","0.137","","","","","","1.042","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104877","22.1154","0.0007","6.3963","0.0002","29.5771","0.0007","90","","95.266","0.0018","90","","4166.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","6","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.7107","MoKα","","0.1122","0.0656","","","0.1234","0.1441","","","","","","1.082","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104925","8.129","0.002","16.658","0.004","8.926","0.002","90","","106.13","0.01","90","","1161.1","0.5","195","2","195","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0691","0.0427","","","0.0833","0.0929","","","","","","1.028","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104926","8.13","0.002","16.666","0.004","8.925","0.002","90","","106.11","0.01","90","","1161.8","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0687","0.0417","","","0.083","0.0917","","","","","","1.04","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104927","8.134","0.002","16.675","0.004","8.926","0.002","90","","106.09","0.01","90","","1163.2","0.5","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0717","0.0419","","","0.0826","0.0928","","","","","","1.028","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104928","8.137","0.002","16.679","0.004","8.927","0.002","90","","106.08","0.01","90","","1164.1","0.5","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0731","0.0424","","","0.083","0.0932","","","","","","1.029","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104929","8.141","0.002","16.687","0.004","8.93","0.002","90","","106.07","0.01","90","","1165.7","0.5","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0742","0.0415","","","0.0811","0.0918","","","","","","1.027","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104930","8.145","0.002","16.688","0.004","8.932","0.002","90","","106.06","0.01","90","","1166.7","0.5","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0753","0.0427","","","0.085","0.0955","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104931","8.15","0.002","16.693","0.004","8.935","0.002","90","","106.05","0.01","90","","1168.2","0.5","253","2","253","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0782","0.0425","","","0.0837","0.095","","","","","","1.018","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104932","8.158","0.002","16.699","0.004","8.941","0.002","90","","106.03","0.01","90","","1170.7","0.5","263","2","263","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0826","0.0431","","","0.085","0.0974","","","","","","1.006","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104933","8.167","0.002","16.703","0.004","8.948","0.002","90","","106.02","0.01","90","","1173.2","0.5","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0889","0.0446","","","0.0856","0.0988","","","","","","0.997","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104934","8.18","0.002","16.701","0.004","8.96","0.002","90","","105.96","0.01","90","","1176.9","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0365","0.0306","","","0.0719","0.0751","","","","","","1.03","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104935","8.1578","0.0001","16.6971","0.0002","8.9482","0.001","90","","106.05","0.0006","90","","1171.34","0.13","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0346","0.0293","","","0.0683","0.0711","","","","","","1.038","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104976","3.8094","0.0003","14.8887","0.0013","6.2014","0.0005","90","","91.849","0.004","90","","351.54","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-dichlorobenzaldehyde","","","- C7 H4 Cl2 O -","- C7 H4 Cl2 O -","- C14 H8 Cl4 O2 -","2","1","GP5044","Solanko, Katarzyna A.; Bond, Andrew D.","Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers","Acta Crystallographica Section B","2011","67","5","437","445","10.1107/S0108768111035786","","","0.71073","MoKα","","0.0262","0.024","","","0.0547","0.0553","","","","","","1.086","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105080","16.2051","0.0004","5.2239","0.0001","35.8162","0.0009","90","","98.405","0.003","90","","2999.41","0.12","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","Fom","2-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C144 H108 F12 N24 O12 -","12","6","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","1.54184","CuKα","","0.0658","0.0594","","","0.1686","0.1763","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105220","10.8685","0.0003","12.0279","0.0002","11.0849","0.0003","90","","110.752","0.003","90","","1355.06","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0344","0.0293","","","0.0637","0.0648","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105222","10.9819","0.0008","12.2053","0.0006","10.9963","0.0008","90","","111.243","0.008","90","","1373.77","0.17","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0508","0.0349","","","0.0601","0.0625","","","","","","0.85","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105243","11.8909","0.0006","7.7956","0.0004","11.9547","0.0006","90","","100.16","0.005","90","","1090.78","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C40 H64 N4 O18 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0446","0.0339","","","0.074","0.0769","","","","","","0.964","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105245","11.6895","0.0003","7.7596","0.0002","12.3238","0.0003","90","","100.013","0.002","90","","1100.81","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O10 -","- C20 H32 N2 O10 -","- C40 H64 N4 O20 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0298","0.0279","","","0.067","0.0681","","","","","","1.045","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105247","8.911","0.0007","8.3625","0.0006","9.6575","0.0008","90","","91.246","0.007","90","","719.49","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0703","0.0358","","","0.046","0.0495","","","","","","0.749","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105293","8.286","0.002","8.256","0.002","9.387","0.003","90","","92.172","0.004","90","","641.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H17 Br2 Mn N O4 -","- C7 H17 Br2 Mn N O4 -","- C14 H34 Br4 Mn2 N2 O8 -","2","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0416","0.0351","","","0.062","0.0643","","","","","","1.001","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105299","7.842","0.003","4.577","0.003","8.56","0.003","90","","100.04","0.02","90","","302.5","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","potassium hydrogen phosphoglycolate","","","- C2 H4 K O6 P -","- C2 H4 K O6 P -","- C4 H8 K2 O12 P2 -","2","1","PI5011","Mermer, Adrian; Starynowicz, Przemysław","Charge-density distribution in potassium dihydrogen phosphoglycolate ‒ a comparison of phosphate and phosphonate groups","Acta Crystallographica Section B","2012","68","6","625","635","10.1107/S0108768112040724","","","0.71073","MoKα","","0.042","0.022","","","","0.037","","","","","","1.083","","","","has coordinates","201208","2020-10-21","18:00:00",""
"2105303","8.9004","0.0005","37.195","0.0017","11.6645","0.0006","90","","104.005","0.003","90","","3746.8","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H32 N4 O0.5 S3 -","- C48 H32 N4 O0.5 S3 -","- C192 H128 N16 O2 S12 -","4","2","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0649","0.0564","","","0.0696","0.0708","","","","","","2.27","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105465","5.213","0.0004","8.471","0.0007","7.2048","0.0006","90","","105.362","0.006","90","","306.79","0.04","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","R-(-)-2-methylpiperazine","","- C5 H12 N2 -","- C5 H12 N2 -","- C10 H24 N4 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0366","0.0353","","","0.1024","0.1037","","","","","","1.012","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105466","5.209","0.0004","8.4798","0.0006","7.2037","0.0005","90","","105.254","0.005","90","","306.99","0.04","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","S-(+)-2-methylpiperazine","","- C5 H12 N2 -","- C5 H12 N2 -","- C10 H24 N4 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0407","0.0383","","","0.1115","0.1153","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105467","6.0418","0.0003","11.5649","0.0005","7.1333","0.0003","90","","106.911","0.002","90","","476.87","0.04","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-(-)-2-methylpiperazinediium dibromide","","- C5 H14.71 Br2 N2 O0.36 -","- C5 H14.7 Br2 N2 O0.35 -","- C10 H29.4 Br4 N4 O0.7 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0199","0.0196","","","0.0594","0.0597","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105468","6.0262","0.0003","11.555","0.0006","7.1392","0.0004","90","","107.018","0.003","90","","475.35","0.04","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-(+)-2-methylpiperazinediium dibromide","","- C5 H14.5 Br2 N2 O0.25 -","- C5 H14.5 Br2 N2 O0.25 -","- C10 H29 Br4 N4 O0.5 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0186","0.0185","","","0.0503","0.0504","","","","","","1.089","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105472","6.4231","0.0002","9.1119","0.0003","13.6799","0.0004","90","","94.137","0.002","90","","798.55","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","tm16","","","- C16 H18 N O4 P -","- C16 H18 N O4 P -","- C32 H36 N2 O8 P2 -","2","1","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","0.71073","MoKα","","0.0612","0.0434","","","0.0979","0.1071","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105544","14.453","0.0014","6.054","0.0002","16.1117","0.0014","90","","105.332","0.007","90","","1359.58","0.19","170","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1,1-bis(4-tert-butylphenyl)-2-phenylethan-1,2-diol dimethylformamide 1:1 complex","","- C31 H41 N O3 -","- C50 H70 N O3 -","- C100 H140 N2 O6 -","2","1","BM0010","Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.","Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid","Acta Crystallographica Section B","1998","54","1","82","93","10.1107/S0108768197010471","","","1.5418","CuKα","","0.073","0.052","","0.069","0.057","","","","1.071","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105545","24.811","0.002","6.0739","0.0002","18.8645","0.001","90","","98.1","0.006","90","","2814.5","0.3","250","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1,1-bis(4-tert-butylphenyl)-2-phenylethan-1,2-diol dimethylformamide 1:1 complex","","- C31 H41 N O3 -","- C33 H47 N O3 -","- C132 H188 N4 O12 -","4","2","BM0010","Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.","Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid","Acta Crystallographica Section B","1998","54","1","82","93","10.1107/S0108768197010471","","","1.5418","CuKα","","0.117","0.08","","0.142","0.101","","","","0.949","0.9","0.9","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105546","24.446","0.004","5.9519","0.0006","20.461","0.004","90","","101.954","0.012","90","","2912.5","0.8","170","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1,1-bis(4-tert-butylphenyl)-2-(4-methylphenyl)ethan-1,2-diol dimethylformamide 1:1 complex","","- C32 H43 N O3 -","- C32 H43 N O3 -","- C128 H172 N4 O12 -","4","2","BM0010","Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.","Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid","Acta Crystallographica Section B","1998","54","1","82","93","10.1107/S0108768197010471","","","1.5418","CuKα","","0.067","0.054","","0.071","0.063","","","","1.029","1.023","1.023","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105552","10.0477","0.0004","8.5764","0.0004","10.2118","0.0004","90","","119.035","0.001","90","","769.39","0.06","293","2","293","2","","","","","","","Synthetic","5","P 1 21 1","P 2yb","4","","α-sodium potassium aluminum germanate'","","- Al Ge K0.25 Na0.75 O4 -","- Al Ge K0.25 Na0.75 O4 -","- Al8 Ge8 K2 Na6 O32 -","8","4","BR0065","Hammond, R. P.; Barbier, J.","Monoclinic and Hexagonal Nepheline Structures of (Na~3/4~/K~1/4~)AlGeO~4~","Acta Crystallographica Section B","1998","54","3","211","220","10.1107/S0108768197013177","","","0.71073","MoKα","","0.0709","0.0554","","0.1204","0.1109","","","","1.127","1.126","1.126","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"2105569","4.006","0.001","11.489","0.002","7.347","0.001","90","","97.5","0.03","90","","335.25","0.11","294","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","o-formylbenzoic pseudoacid, 3-hydroxyphthalide","3-hydroxy-1(3H)-isobenzofuranone","","- C8 H6 O3 -","- C8 H6 O3 -","- C16 H12 O6 -","2","1","FR0001","Valente, E. J.; Fuller, J. F.; Ball, J. D.","Pseudoacids. I. 4- and 5-Oxoacids","Acta Crystallographica Section B","1998","54","2","162","173","10.1107/S010876819701149X","","","0.71073","MoKα","","0.0579","0.0445","","0.1297","0.125","","","","0.916","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105592","13.706","0.003","22.8","0.005","30.674","0.006","90","","97.15","0.03","90","","9511","4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-tert-butyloxycarbonyl-L-phenylalanyl-L-leucine benzyl ester","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C378 H504 N28 O70 -","14","7","KA0045","Antolić, S.; Teichert, M.; Sheldrick, G.; Kojić-Prodić, B.; Čudić, M.; Horvat, Š.","Structure and molecular modelling of protected dipeptide fragment (Boc‒Phe‒Leu‒OBzl) of enkephalin","Acta Crystallographica Section B","1999","55","6","975","984","10.1107/S0108768199004656","","","0.71073","MoKα","","0.0569","0.0455","","","","0.1035","","","","","","1.129","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105607","7.313","0.001","11.778","0.001","8.017","0.001","90","","107.26","0.01","90","","659.43","0.14","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-Chlorophenylamino)-6,6-dimethyl-2-cyclohexen-1-one","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C28 H32 Cl2 N2 O2 -","2","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.044","","","","0.06","","","","","","1.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105683","5.451","0.002","19.493","0.001","5.441","0.002","90","","100.12","0.05","90","","569.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Glycine Silver Nitrate","Glycine Silver Nitrate","","- C4 H10 Ag2 N4 O10 -","- C4 H10 Ag2 N4 O10 -","- C8 H20 Ag4 N8 O20 -","2","1","BP5051","Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.","Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study","Acta Crystallographica Section B","2013","69","6","595","602","10.1107/S2052519213024573","","neutron","1.1761","neutron","","0.0591","0.059","","","0.1566","0.1567","","","","","","1.198","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105747","9.9568","0.0017","12.914","0.002","20.203","0.004","90","","95.734","0.003","90","","2584.7","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H62 N12 O8 -","- C56 H62 N12 O8 -","- C112 H124 N24 O16 -","2","1","BI5004","Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh","Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid","Acta Crystallographica Section B","2014","70","1","63","71","10.1107/S2052520613031260","","","0.71073","MoKα","","0.0763","0.0712","","","0.1733","0.1777","","","","","","1.11","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105762","11.8719","0.0004","14.1629","0.0005","21.9663","0.0007","90","","95.342","0.001","90","","3677.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 N6 Ni O8 S2 -","- C34 H36 N6 Ni O8 S2 -","- C136 H144 N24 Ni4 O32 S8 -","4","2","BI5029","Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.","Towards the chemical control of molecular packing: syntheses and crystal structures of three trans-[NiL~4~(NCS)~2~] complexes","Acta Crystallographica Section B","2014","70","1","115","125","10.1107/S2052520613034665","","","0.71073","MoKα","","0.0396","0.0301","","","0.0671","0.072","","","","","","0.964","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105770","8.9453","0.0009","24.902","0.003","14.4248","0.0016","90","","105.016","0.002","90","","3103.5","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H25 Ag9 F27 N3 O18 -","- C43 H25 Ag9 F27 N3 O18 -","- C86 H50 Ag18 F54 N6 O36 -","2","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0382","0.0357","","","0.096","0.0982","","","","","","1.028","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105864","15.5","0.003","9.794","0.002","21.689","0.005","90","","90.138","0.003","90","","3292.5","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-cyclodextrin DMF 12.5 hydrate","cycloheptaamylose dimethylformamide 12.5-hydrate","","- C45 H102 N O48.5 -","- C45 H94 N O48.5 -","- C90 H188 N2 O97 -","2","1","PS5033","Granero-García, Rubén; Fabbiani, Francesca P. A.","β-Cyclodextrin dimethylformamide 12.5 hydrate: a deeper insight into β-cyclodextrin crystal packing","Acta Crystallographica Section B","2014","70","3","586","594","10.1107/S2052520614002285","","","0.71073","MoKα","","0.0737","0.0562","","","0.123","0.1297","","","","","","1.12","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105976","4.8971","0.0009","15.812","0.003","11.773","0.002","90","","93.746","0.003","90","","909.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br2 Ca N3 O7 -","- C9 H23 Br2 Ca N3 O7 -","- C18 H46 Br4 Ca2 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.047","0.0423","","","0.0956","0.099","","","","","","1.02","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105977","4.9164","0.0008","16.416","0.003","12.039","0.002","90","","92.435","0.003","90","","970.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Ca I2 N3 O7 -","- C9 H23 Ca I2 N3 O7 -","- C18 H46 Ca2 I4 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0427","0.0364","","","0.0614","0.0647","","","","","","1.026","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105978","4.7809","0.0004","15.7146","0.0013","11.6246","0.001","90","","93.581","0.001","90","","871.65","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br2 Mn N3 O7 -","- C9 H23 Br2 Mn N3 O7 -","- C18 H46 Br4 Mn2 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0343","0.0304","","","0.0577","0.0591","","","","","","1.003","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105979","4.7932","0.0016","16.261","0.005","11.894","0.004","90","","92.255","0.006","90","","926.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 I2 Mn N3 O7 -","- C9 H23 I2 Mn N3 O7 -","- C18 H46 I4 Mn2 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0537","0.0453","","","0.094","0.0987","","","","","","1.009","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106003","7.476","0.0001","35.981","0.0005","11.359","0.0002","90","","90.944","0.001","90","","3055.09","0.08","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid","","- C34 H50 O7 -","- C34 H50 O7 -","- C136 H200 O28 -","4","2","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0356","0.0353","","","0.0952","0.0954","","","","","","1.032","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106004","13.064","0.0003","7.319","0.0002","18.617","0.0004","90","","103.515","0.002","90","","1730.78","0.07","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid propionic acid solvate","","- C37 H56 O9 -","- C37 H56 O9 -","- C74 H112 O18 -","2","1","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0394","0.0376","","","0.0966","0.0988","","","","","","1.022","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106006","7.3497","0.0001","11.8061","0.0001","42.4208","0.0004","90","","92.476","0.001","90","","3677.47","0.07","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid : monosodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid water/butan-2-one solvate","","- C76 H119 Na O18 -","- C76 H119 Na O18 -","- C152 H238 Na2 O36 -","2","1","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0555","0.0551","","","0.1526","0.1531","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2106201","8.1924","","15.136","","5.5204","","90","","90.59","","90","","684.494","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4) Fe (Cr O4)2","","- Cr2 Fe H4 N O8 -","- Cr2 Fe N O8 -","- Cr8 Fe4 N4 O32 -","4","2","","Gravereau, P.; Hardy, A.; Bonnin, A.","La serie M-I Fe (Cr O4)2 : structure cristalline de la variete alpha du chromate double de fer et d'ammonium N H4 Fe (Cr O4)2","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1362","1367","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106207","6.66","","8.629","","6.411","","90","","103.7","","90","","357.952","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 Zn Si3 O8","","- Na2 O8 Si3 Zn -","- Na2 O8 Si3 Zn -","- Na4 O16 Si6 Zn2 -","2","1","","Hesse, K.F.; Liebau, F.; Boehm, H.; Ribbe, P.H.; Phillips, M.W.","Disodium zincosilicate, Na2 Zn Si3 O8","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1333","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106208","9.43","","4.063","","18.378","","90","","109.34","","90","","664.402","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- In6 Se7 -","- In6 Se7 -","- In12 Se14 -","2","1","","Hogg, J.H.C.","The crystal structure of In6 Se7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1630","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106223","11.43","","5.96","","6.34","","90","","102.1","","90","","422.303","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 Si O3 (H2 O)6","","- H12 Na2 O9 Si -","- H12 Na2 O9 Si -","- H24 Na4 O18 Si2 -","2","1","","Williams, P.P.; Dent Glasser, L.S.","Sodium Silicate Hydrates. IV. Location of Hydrogen Atoms in (Na2 O) (Si O2) (H2 O)6 by Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2269","2275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106616","8.546","","10.263","","5.887","","90","","90.57","","90","","516.309","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Zn Mo O4 (H2 O)2","","- H4 Mo O6 Zn -","- Mo O6 Zn -","- Mo4 O24 Zn4 -","4","2","","le Marouille, J.Y.; Bars, O.; Grandjean, D.","Etude de Chromates, Molybdates et Tungstates Hydrates. III. Etude Structurale du Molybdate de Zinc Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2558","2560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106651","12.8666","0.0001","13.6966","0.0001","16.2049","0.0001","90","","100.686","0.001","90","","2806.24","0.04","112","4","112","4","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Diethylamino)-N-(2,6-dimethylphenyl)-acetamide","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C112 H176 N16 O8 -","8","4","DQ5012","Gryl, Marlena","Charge density and optical properties of multicomponent crystals containing active pharmaceutical ingredients or their analogues","Acta Crystallographica Section B","2015","71","4","392","405","10.1107/S2052520615013505","","","0.71073","MoKα","","0.068","0.0458","","","0.1114","0.1186","","","","","","1.059","","","","has coordinates","152532","2020-10-21","18:00:00",""
"2106788","11.52","","11.222","","7.868","","90","","98.3","","90","","1006.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Rb5 Zr4 F21","","- F21 Rb5 Zr4 -","- F21 Rb5 Zr4 -","- F42 Rb10 Zr8 -","2","1","","Brunton, G.","The Crystal Structure of Rb5 Zr4 F21","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1944","1948","","","","","","","","","","","","","","","","","","","","","","has coordinates","158752","2020-10-21","18:00:00",""
"2107044","5.368","","4.696","","7.955","","90","","104.82","","90","","193.86","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","Te2 O5","","- O5 Te2 -","- O5 Te2 -","- O10 Te4 -","2","1","","Lindqvist, O.; Moret, J.","The crystal structure of ditellurium pentoxide, Te2 O5","Acta Crystallographica B (24,1968-38,1982)","1973","29","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","165844","2020-10-21","18:00:00",""
"2107107","8.162","","10.229","","7.585","","90","","99.44","","90","","624.689","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(Co H2 P3 O10 (N H3)4) (H2 O)","","- Co H16 N4 O11 P3 -","- Co H16 N4 O11 P3 -","- Co2 H32 N8 O22 P6 -","2","1","","Merritt, E.A.; Sundaralingam, M.","Structures of Unidentate (Co H P2 O7 (N H3)5) (H2 O) (Pentaamminepyrophosphatocobalt(III) Monohydrate) and Bidentate (Co H P2 O7 (N H3)4) (H2 O)2 (Tetraamminepyrophosphatocobalt(III)Dihydrate)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2576","2584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107198","3.5858","","13.3085","","5.1001","","90","","102.488","","90","","237.627","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","N2 D5 D C2 O4","","- C2 D6 N2 O4 -","- C2 D6 N2 O4 -","- C4 D12 N4 O8 -","2","1","","Thomas, J.O.","Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1767","1776","","","","","","","","","","","","","","","","","","","","","","has coordinates","168230","2020-10-21","18:00:00",""
"2107267","8.5992","0.0003","8.9125","0.0003","15.8039","0.0006","90","","95.502","0.003","90","","1205.64","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-chlorobenzylammonium lead iodide","","","- C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4 -","- C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4 -","- C28 H36 Cl4 I8 N4 Pb2 -","5","2.5","PS5046","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0361","0.0307","","","0.0511","0.0538","","","","","","0.872","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107484","4.1964","0.0003","7.0129","0.0005","14.4528","0.001","90","","90.924","0.007","90","","425.28","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","XK5025","Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta","New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone","Acta Crystallographica Section B","2016","72","2","263","273","10.1107/S2052520615024956","","","0.71073","MoKα","","0.0561","0.032","","","0.0526","0.0592","","","","","","1.002","","","","has coordinates,has Fobs","180693","2020-10-21","18:00:00",""
"2107502","8.2988","0.0002","23.5144","0.0007","9.673","0.0003","90","","101.61","0.001","90","","1848.98","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","silver complex","","","- C30 H26 Ag2 N11 O13 P3 -","- C30 H26 Ag2 N11 O13 P3 -","- C60 H52 Ag4 N22 O26 P6 -","2","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0298","0.0276","","","0.0644","0.0656","","","","","","1.032","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107636","9.2196","0.0006","8.9077","0.0006","8.83","0.0006","90","","108.69","0.007","90","","686.93","0.08","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 As2 N3 O10 -","- C6 H15 As2 N3 O10 -","- C12 H30 As4 N6 O20 -","2","1","GW5042","Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay","Growth, morphology, structure and characterization of L-histidinium dihydrogen arsenate orthoarsenic acid single crystal","Acta Crystallographica Section B","2016","72","4","593","601","10.1107/S2052520616007629","","","0.71073","MoKα","","0.0716","0.0689","","","0.1969","0.2026","","","","","","1.121","","","","has coordinates,has Fobs","184760","2020-10-21","18:00:00",""
"2107970","8.3052","0.0005","6.1117","0.0003","23.7414","0.0013","90","","93.652","0.002","90","","1202.64","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N3 O6 S -","- C22 H33 N3 O6 S -","- C44 H66 N6 O12 S2 -","2","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.0762","0.0361","","","0.0779","0.1128","","","","","","1.004","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2108011","9.606","0.003","5.324","0.007","14.666","0.002","90","","94.06","0.03","90","","748.2","1","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","l-leucine at 300 K","2-amino-4-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","FX5005","Binns, Jack; Parsons, Simon; McIntyre, Garry J.","Accurate hydrogen parameters for the amino acid L-leucine","Acta Crystallographica Section B","2016","72","6","885","892","10.1107/S2052520616015699","","","0.8","neutron","","0.0818","0.0582","","","0.1203","0.1341","","","","","","1.102","","","","has coordinates,has Fobs","188819","2020-10-21","18:00:00",""
"2108012","9.562","0.002","5.301","0.001","14.519","0.003","90","","94.2","0.02","90","","734","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","l-leucine at 120 K","2-amino-4-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","","Binns, Jack; Parsons, Simon; McIntyre, Garry J.","Accurate hydrogen parameters for the amino acid L-leucine","Acta Crystallographica Section B","2016","72","6","885","892","10.1107/S2052520616015699","","","0.8","neutron","","0.1183","0.079","","","0.1525","0.1713","","","","","","1.141","","","","has coordinates,has Fobs","188819","2020-10-21","18:00:00",""
"2108063","8.8638","0.001","11.1097","0.0013","11.5441","0.0013","90","","107.878","0.002","90","","1081.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H40 Cr6 N4 O36 U4 -","- C8 H40 Cr6 N4 O36 U4 -","- C8 H40 Cr6 N4 O36 U4 -","1","0.5","BP5092","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0257","0.0255","","","0.0698","0.0699","","","","","","1.109","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108095","9.051","0.003","10.968","0.004","18.268","0.005","90","","104.35","0.03","90","","1756.9","1","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C40 H56 N24 O48 S8 -","8","4","WF5131","Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek","Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate","Acta Crystallographica Section B","2017","73","3","337","346","10.1107/S2052520617001524","","","0.71073","MoKα","","0.0229","0.0217","","","0.0516","0.0521","","","","","","1.077","","","","has coordinates,has Fobs","199052","2020-10-21","18:00:00",""
"2108197","7.3126","0.0001","27.1077","0.0005","7.3745","0.0001","90","","106.064","0.0011","90","","1404.75","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0429","0.0343","","","0.0787","0.0827","","","","","","1.053","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108198","9.8928","0.0002","9.0312","0.0002","16.447","0.0005","90","","97.8246","0.0015","90","","1455.76","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.051","0.039","","","0.0778","0.0824","","","","","","1.034","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108273","5.7132","0.0012","8.1116","0.0018","10.878","0.002","90","","96.698","0.008","90","","500.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C24 H24 Cl2 N2 -","2","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0378","0.0327","","","0.0762","0.0779","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108313","4.8588","0.0004","4.9939","0.0004","26.0286","0.0019","90","","91.448","0.005","90","","631.37","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C28 H18 Br2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0665","0.047","","","0.0712","0.0758","","","","","","0.987","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108321","4.9085","0.0003","4.9644","0.0003","26.7593","0.0016","90","","92.549","0.002","90","","651.42","0.07","101","2","101","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C28 H18 F6 I2 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0216","0.0208","","","0.0528","0.0533","","","","","","1.03","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108332","14.3328","0.0007","9.1209","0.0004","10.3732","0.0005","90","","90.007","0.002","90","","1356.07","0.11","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O14 Si4 V -","- Na2 O14 Si4 V -","- Na8 O56 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1282","0.1095","","","0.2699","0.2867","","","","","","1.05","","","","has coordinates,has Fobs","212434","2020-10-21","18:00:00",""
"2108333","14.364","0.004","9.134","0.003","10.373","0.003","90","","90.056","0.007","90","","1360.9","0.7","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O14 Si4 V -","- Na2 O14 Si4 V -","- Na8 O56 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1093","0.0935","","","0.2457","0.2629","","","","","","1.046","","","","has coordinates","212434","2020-10-21","18:00:00",""
"2108334","12.584","0.016","9.525","0.013","9.696","0.014","90","","90.1","0.04","90","","1162","3","398","2","398","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O11 Si4 V -","- Na2 O11 Si4 V -","- Na8 O44 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1772","0.1128","","","0.2798","0.3221","","","","","","1.055","","","","has coordinates","212434","2020-10-21","18:00:00",""
"2108337","10.7147","0.0011","34.282","0.003","10.9168","0.0011","90","","93.176","0.002","90","","4003.8","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 B2 N2 O4 -","- C22 H20 B2 N2 O4 -","- C176 H160 B16 N16 O32 -","8","4","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-a]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.1796","0.0548","","","0.0778","0.1016","","","","1.39","1.39","1.19","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108380","7.1062","0.0002","11.5821","0.0003","17.3894","0.0005","90","","94.9978","0.0011","90","","1425.79","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tapentadol","(2R,3R)-3-(3-Hydroxyphenyl)-N,N,2-trimethylpentan-1-aminium","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","","Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.","Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001148","","","0.71073","MoKα","","0.0605","0.0462","","","0.1062","0.1129","","","","","","1.035","","","","has coordinates,has Fobs","214142","2020-10-21","18:00:00",""
"2108381","7.135","0.0002","11.6402","0.0004","17.4546","0.0005","90","","94.7791","0.0014","90","","1444.61","0.08","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tapentadol","(2R,3R)-3-(3-Hydroxyphenyl)-N,N,2-trimethylpentan-1-aminium","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","","Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.","Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001148","","","0.71073","MoKα","","0.0798","0.0543","","","0.125","0.136","","","","","","1.042","","","","has coordinates,has Fobs","214142","2020-10-21","18:00:00",""
"2108389","7.8592","0.0004","12.9355","0.0005","9.9504","0.0003","90","","92.803","0.004","90","","1010.37","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 I2 O12 Sr -","- C12 H24 I2 O12 Sr -","- C24 H48 I4 O24 Sr2 -","2","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo","Developing new SrI~2~ and β-D-fructopyranose-based metal‒organic frameworks with nonlinear optical properties","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001951","","x-ray","1.54184","CuKα","","0.0441","0.037","","","0.0873","0.0922","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","214248","2020-10-21","18:00:00",""
"2108471","8.71353","0.00013","29.496","0.0006","17.6717","0.0002","90","","97.937","0.0014","90","","4498.37","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O7 S -","- C22 H24 N2 O7 S -","- C176 H192 N16 O56 S8 -","8","4","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0554","0.0448","","","0.1097","0.1187","","","","","","1.034","","","","has coordinates,has Fobs","218152","2020-10-21","18:00:00",""
"2108513","7.333","0.0001","29.3095","0.0004","8.8046","0.0001","90","","94.748","0.001","90","","1885.85","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Polymorph of Agometaline-hydroquinone (1:1) cocrystal","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","2","","Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan","Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619011739","","x-ray","1.54184","CuKα","","0.0519","0.0485","","","0.1281","0.1331","","","","","","1.056","","","","has coordinates,has Fobs","223447","2020-10-21","18:00:00",""
"2108609","11.304","0.002","10.064","0.002","14.496","0.003","90","","107.822","0.01","90","","1570","0.5","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","2","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of OR substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.0815","0.063","","","0.1641","0.1786","","","","","","1.029","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108625","8.21","0.004","6.33","0.002","17.277","0.009","90","","102.41","0.019","90","","876.9","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0601","0.0514","","","","0.1441","","","","","","1.127","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108628","8.317","0.003","6.0774","0.0019","17.513","0.006","90","","103.095","0.013","90","","862.2","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0453","0.0448","","","","0.1219","","","","","","1.056","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108674","6.49617","0.00009","7.41888","0.00018","23.587","0.0004","90","","92.9418","0.0013","90","","1135.26","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N3 O6 -","- C23 H26 F N3 O6 -","- C46 H52 F2 N6 O12 -","2","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0388","0.037","","","0.1002","0.1031","","","","","","1.031","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108678","16.78184","0.00017","15.47624","0.0002","19.5982","0.00018","90","","105.758","0.001","90","","4898.74","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 F N3 O10 -","- C23 H28 F N3 O10 -","- C184 H224 F8 N24 O80 -","8","4","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1208","0.1234","","","","","","1.038","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108833","7.5022","0.0004","14.2259","0.0006","10.4517","0.0006","90","","109.931","0.006","90","","1048.65","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Br2 Ca O12 -","- C12 H28 Br2 Ca O12 -","- C24 H56 Br4 Ca2 O24 -","2","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo","Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004637","","x-ray","1.54184","CuKα","","0.042","0.035","","","0.0713","0.0764","","","","","","1.057","","","","has coordinates,has Fobs","267320","2021-07-07","04:44:29",""
"2108834","7.6384","0.0003","14.4621","0.0004","10.749","0.0003","90","","109.233","0.004","90","","1121.14","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Ca I2 O12 -","- C12 H28 Ca I2 O12 -","- C24 H56 Ca2 I4 O24 -","2","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo","Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004637","","x-ray","1.54184","CuKα","","0.0332","0.0316","","","0.078","0.0792","","","","","","1.039","","","","has coordinates,has Fobs","267320","2021-07-07","04:44:29",""
"2108876","5.1651","0.0002","7.2324","0.0002","9.4957","0.0003","90","","97.065","0.002","90","","352.03","0.02","5","","5","","","","","","","","","4","P 1 21 1","P 2yb","4","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","UM5050","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.0933","0.0601","","","0.0769","0.0816","","","","","","1.212","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:03",""
"2108877","5.1656","0.0002","7.2761","0.0003","9.4978","0.0003","90","","97.316","0.003","90","","354.07","0.02","105","","105","","","","","","","","","4","P 1 21 1","P 2yb","4","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.1021","0.0501","","","0.0623","0.0714","","","","","","1.004","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108878","5.1854","0.0008","7.3998","0.001","9.4976","0.0012","90","","98.182","0.01","90","","360.72","0.09","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.1244","0.0533","","","0.0628","0.0746","","","","","","1.106","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108882","5.1651","0.0002","7.2324","0.0002","9.4957","0.0003","90","","97.065","0.002","90","","352.03","0.02","5","","5","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0178","0.0167","","","0.0284","0.0286","","","","","","1.276","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108883","5.1656","0.0002","7.2761","0.0003","9.4978","0.0003","90","","97.316","0.003","90","","354.07","0.02","105","","105","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0248","0.0218","","","0.031","0.0315","","","","","","1.1832","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108884","5.1854","0.0008","7.3998","0.001","9.4976","0.0012","90","","98.182","0.01","90","","360.72","0.09","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0286","0.0247","","","0.0475","0.0486","","","","","","1.3485","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108892","7.3288","0.0001","8.5032","0.0001","9.9467","0.0001","90","","111.29","0.001","90","","577.558","0.013","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Hydrochlorothiazide","6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7- sulfonamide","","- C7 H8 Cl N3 O4 S2 -","- C7 H8 Cl N3 O4 S2 -","- C14 H16 Cl2 N6 O8 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna Marta","Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties","Acta Crystallographica Section B","2021","77","6","965","973","10.1107/S2052520621009914","","x-ray","0.71073","MoKα","","0.024","0.02","","","","0.019","","","","","","0.996","","","","has coordinates","271661","2022-01-01","04:08:22",""
"2108985","13.9887","0.0007","6.891","0.0002","14.3405","0.0007","90","","109.51","0.005","90","","1303","0.11","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 Cu N2 O12 -","- C22 H32 Cu N2 O12 -","- C44 H64 Cu2 N4 O24 -","2","1","","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","x-ray","0.71073","MoKα","","0.0448","0.0376","","","0.0882","0.0939","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","275739","2022-06-02","02:16:28",""
"2108988","13.9687","0.0007","6.8845","0.0003","14.3443","0.0007","90","","109.401","0.005","90","","1301.13","0.11","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 Cu N4 O9 -","- C22 H32 Cu N4 O9 -","- C44 H64 Cu2 N8 O18 -","2","1","","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","x-ray","0.71073","MoKα","","0.0887","0.0783","","","0.2122","0.2307","","","","","","1.086","","","","has coordinates","275739","2022-06-02","02:16:28",""
"2109013","6.8066","0.0001","12.8648","0.0002","17.883","0.0003","90","","94.885","0.001","90","","1560.25","0.04","130","2","130.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","benzyl ester of oleanolic acid","","- C37 H54 O3 -","- C37 H54 O3 -","- C74 H108 O6 -","2","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.035","0.0331","","","0.0832","0.0852","","","","","","1.027","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109014","6.7857","0.0002","13","0.0003","17.8671","0.0004","90","","94.87","0.002","90","","1570.44","0.07","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","benzyl ester of 11-keto oleanolic acid","","","- C37 H52 O4 -","- C37 H52 O4 -","- C74 H104 O8 -","2","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0319","0.0311","","","0.08","0.0808","","","","","","1.025","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109015","6.8841","0.0001","12.2006","0.0001","17.7696","0.0002","90","","89.794","0.001","90","","1492.46","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","n-butyl ester of oleanolic acid","","","- C34 H56 O3 -","- C34 H56 O3 -","- C68 H112 O6 -","2","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0343","0.0332","","","0.0874","0.0884","","","","","","1.044","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109020","20.4487","0.0009","7.4362","0.0002","20.4513","0.0009","90","","119.953","0.006","90","","2694.5","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","mimetite","","","- As4 Cl1.33 O16 Pb6.67 -","- As4 Cl1.33333 O16 Pb6.66667 -","- As24 Cl8 O96 Pb40 -","6","3","TQ5003","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0717","0.0551","","","0.119","0.1288","","","","","","1.075","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:15",""
"2109026","7.9341","0.0003","8.014","0.0003","15.3431","0.0006","90","","91.259","0.001","90","","975.34","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 N4 O2 Pb S -","- C21 H18 N4 O2 Pb S -","- C42 H36 N8 O4 Pb2 S2 -","2","1","LO5101","Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A.","The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative","Acta Crystallographica Section B","2022","78","4","685","694","10.1107/S2052520622005789","","","0.71073","MoKα","","0.0157","0.0146","","","0.033","0.0336","","","","","","1.045","","","","has coordinates,has Fobs","276974","2022-07-28","01:45:36",""
"2200000","8.506","0.0007","7.4661","0.0007","10.733","0.001","90","","102.626","0.002","90","","665.13","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","ricciocarpin A","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","AC6193","Wang, Yanmei; Tan, Geok-Kheng; Koh, Lip-Lin; Harrison, Leslie J.","Ricciocarpin A","Acta Crystallographica Section E","2005","61","11","o3800","o3801","10.1107/S1600536805028011","","","0.71073","MoKα","","0.0654","0.0613","","","0.1441","0.1462","","","","","","1.192","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200004","5.419","0.002","7.438","0.002","17.814","0.003","90","","92.94","0.02","90","","717.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine benzoic acid solvate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","AT6033","J. Suresh; R. V. Krishnakumar; S. Natarajan","L-Phenylalanine‒benzoic acid (1/1)","Acta Crystallographica Section E","2005","61","11","o3625","o3627","10.1107/S1600536805031661","","","0.71073","MoKα","","0.112","0.071","","","0.164","0.187","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200012","7.3671","0.0017","6.02","0.002","13.689","0.003","90","","105.551","0.012","90","","584.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosinamide hydrochloride monohydrate","1-carbamoyl-2-(4-hydroxyphenyl)ethylammonium chloride monohydrate","","- C9 H15 Cl N2 O3 -","- C9 H15 Cl N2 O3 -","- C18 H30 Cl2 N4 O6 -","2","1","BH6029","Kolev, Tsonko; Spiteller, Michael; Sheldrick, William S.; Mayer-Figge, Heike; van Almsick, Tobias","L-Tyrosinamide hydrochloride monohydrate","Acta Crystallographica Section E","2005","61","11","o3819","o3821","10.1107/S1600536805033131","","","0.71073","MoKα","","0.0342","0.0292","","","0.076","0.0786","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200013","5.8623","0.0008","8.1322","0.001","30.674","0.004","90","","91.45","0.002","90","","1461.9","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","BH6033","Pradeep, Chullikkattil P.","Intramolecular hydrogen transfer in (S)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol, a new chiral Schiff base","Acta Crystallographica Section E","2005","61","11","o3825","o3827","10.1107/S1600536805033581","","","0.71073","MoKα","","0.053","0.0414","","","0.1014","0.1081","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200029","14.88","0.002","4.6251","0.0005","20.043","0.003","90","","100.963","0.019","90","","1354.2","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-benzotriazole","","- C16 H12 N4 O -","- C16 H12 N4 O -","- C64 H48 N16 O4 -","4","2","CF6013","Swaleh, Sauda, M.; Ziemer, Burkhard","2-[(2-Phenyl-1,3-oxazol-4-yl)methyl]-2H-1,2,3-benzotriazole","Acta Crystallographica Section E","2001","57","1","o35","o36","10.1107/S1600536800018808","","","0.71073","MoKα","","0.061","0.04","","","","0.082","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200041","4.8724","0.0003","15.2803","0.0009","10.694","0.0007","90","","101.84","0.003","90","","779.25","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Moschamindole","{2-(3-methoxy-4-hydroxyphenyl)}-dihydrofuro[kl]-1H- pyrrolo[fg]-2-oxo-1,2,3,4,5,6-hexahydro-3-benzazocine","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","CF6033","Cox, Philip J.; Fergusson, Margot; Nahar, Lutfun; Sarker, Satyajit D.","Moschamindole","Acta Crystallographica Section E","2001","57","1","o81","o82","10.1107/S1600536800020730","","","0.71073","MoKα","","0.088","0.046","","","","0.097","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200098","8.345","0.0003","8.5536","0.0003","12.6875","0.0005","90","","105.482","0.003","90","","872.77","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-chloro-3β,11β-dihydroxy-5α-androstan-17-one","","- C19 H29 Cl O3 -","- C19 H29 Cl O3 -","- C38 H58 Cl2 O6 -","2","1","BT6006","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","9α-Chloro-3β,11β-dihydroxy-5α-androstan-17-one","Acta Crystallographica Section E","2001","57","2","o166","o167","10.1107/S1600536801001490","","","1.5418","CuKα","","0.0335","0.0332","","","","0.099","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200120","8.8987","0.0013","14.305","0.0016","10.1286","0.0011","90","","97.096","0.009","90","","1279.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato)[2,2-(dimethylcarbamoyl)ethyl] [(R)-1-phenylethylamine]cobalt(III)","","- C21 H35 Co N6 O5 -","- C21 H35 Co N6 O5 -","- C42 H70 Co2 N12 O10 -","2","1","CF6035","Ohgo, Yoshiki; Ohashi, Yuji; Shida, Mitsuru; Hagiwara, Mieko; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","[2-(N,N-Dimethylcarbamoyl)ethyl]bis(dimethylglyoximato)[(R)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section E","2001","57","2","m62","m64","10.1107/S1600536801001088","","","0.71073","MoKα","","0.061","0.045","","","","0.122","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200121","11.505","0.003","8.484","0.002","14.616","0.004","90","","99.42","0.03","90","","1407.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","fern-9(11)-en-6α-ol‒methanol (1/1)","","- C31 H54 O2 -","- C31 H54 O2 -","- C62 H108 O4 -","2","1","CF6036","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Venkateswarlu, Yenamandra; Reddy, V. L. Niranjan","Fern-9(11)-en-6α-ol‒methanol (1/1)","Acta Crystallographica Section E","2001","57","3","o228","o230","10.1107/S1600536801002215","","","1.54178","CuKα","","0.0552","0.0519","","","","0.1578","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200132","7.4634","0.0011","13.747","0.002","17.352","0.003","90","","94.862","0.012","90","","1773.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Guggulsterone E","4,17(20)-(cis)-pregnadiene-3,16-dione","","- C21 H28 O2 -","- C21 H28 O2 -","- C84 H112 O8 -","4","2","CF6049","Sarkhel, Sanjay; Yadava, Umesh; Prakash, Prem; Jain, Girish K.; Singh, Satywan; Maulik, Prakash R.","Guggulsterone E, a lipid-lowering agent from Commiphora mukul","Acta Crystallographica Section E","2001","57","3","o285","o286","10.1107/S1600536801003142","","","0.71073","MoKα","","0.1106","0.0633","","","","0.2367","","","","","","0.921","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200140","9.4058","0.0005","7.7654","0.0004","10.2125","0.0006","90","","94.349","0.003","90","","743.77","0.07","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C36 H42 F2 O4 -","2","1","CI6002","Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert","3,17-Dioxo-11-fluoroandrosta-4,6-diene","Acta Crystallographica Section E","2001","57","2","o106","o107","10.1107/S1600536801000484","","","0.71073","MoKα","","0.094","0.042","","","","0.096","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200151","13.495","0.002","17.324","0.003","13.471","0.002","90","","93.01","0.01","90","","3145","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis[di-n-butylbis(thiophene-2-carboxylato-O,O')tin(VI) oxide]","octa-n-butyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo- 1:2:3κ^3^O;2:3:4:κ^3^O-tetrakis(thiophene-2-carboxylate)- 1κO;1:2κ^2^O:O';3:4κ^2^O:O';4κO-tetratin(VI)","","- C52 H84 O10 S4 Sn4 -","- C52 H84 O10 S4 Sn4 -","- C104 H168 O20 S8 Sn8 -","2","1","CI6014","Yahyi, Abderrahmane; Et-touhami, Abdelkader; Zidane, Ismail; Benchat, Nour-eddine; El-Bali, Brahim; Bolte, Michael","Redetermination of bis[di-n-butylbis(thiophene-2-carboxylato-O,O')tin(VI) oxide] at low temperature","Acta Crystallographica Section E","2001","57","4","m148","m150","10.1107/S1600536801004214","","","0.71073","MoKα","","0.027","0.022","","","","0.049","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200164","8.1172","0.0011","22.523","0.004","12.5352","0.0013","90","","105.362","0.012","90","","2209.9","0.6","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis Ketal","(-)-(4R,5R,4'''R,5'''R)-Dispiro[1,3-(4,5-dimethyl)- dioxalane-2,3'-[1',5'-(1'',8''-naphthalene)]- bicyclo[3.3.0]octane-7',2'''-[1,3]- (4''',5'''-dimethyl)-dioxalane]","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","2","CV6010","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","A chiral C~2~ axially symmetric naphthalene derivative of a bicyclooctane diketal","Acta Crystallographica Section E","2001","57","4","o346","o348","10.1107/S1600536801004457","","","0.71069","MoKα","","0.151","0.063","","","","0.239","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200184","3.9972","0.0004","14.0618","0.0017","9.5477","0.0011","90","","100.6","0.007","90","","527.5","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","NA6047","Wang, Kezhi; Wang, Zheming; Yan, Chunhua","2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile","Acta Crystallographica Section E","2001","57","3","o214","o215","10.1107/S1600536801001957","","","0.71073","MoKα","","0.0485","0.0386","","","","0.1057","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200189","13.667","0.002","15.046","0.002","17.764","0.002","90","","100.32","0.01","90","","3593.8","0.8","297","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Co N2 O6 -","- C36 H48 Br Co N2 O6 -","- C144 H192 Br4 Co4 N8 O24 -","4","2","NA6052","Ohba, Shigeru; Nagata, Takushi; Yamada, Tohru","(‒)~D~-Aquabromo{3,3'-[(1R,2R)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diylbis(nitrilomethylidyne)]bis(pentane-2,4-dionato)-N,N',O,O'}cobalt(III) tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","3","m124","m126","10.1107/S1600536801003592","","","0.71073","MoKα","","","0.0638","","","","0.1859","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200217","8.3141","0.0008","14.6625","0.0013","9.067","0.0009","90","","115.154","0.002","90","","1000.5","0.17","298","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H9 Co N9 O6 -","- C18 H9 Co N9 O6 -","- C36 H18 Co2 N18 O12 -","2","1","OM6006","Liu, He; Du, Miao; Ge, Xiao-Jing; Bu, Xian-He; Yang, Ming","A novel heptacoordinated cobalt(II) complex of 6,7-dicyanodipyridoquinoxaline (dcdpq): [Co(NO~3~)~2~(CH~3~CN)(dcdpq)]","Acta Crystallographica Section E","2001","57","3","m100","m102","10.1107/S1600536801002422","","","0.71073","MoKα","","","0.028","","","","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200238","6.7475","0.001","12.5446","0.0016","6.9788","0.0017","90","","116.43","0.014","90","","528.98","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn(1-aza-4-azinium-bicyclo[2.2.2]octane)trichloride","","- C6 H13 Cl3 N2 Zn -","- C6 H13 Cl3 N2 Zn -","- C12 H26 Cl6 N4 Zn2 -","2","1","WN6008","Wei, Mingyi; Willett, Roger D.","(1-Aza-4-aziniobicyclo[2.2.2]octane-N^1^)trichlorozinc(II)","Acta Crystallographica Section E","2001","57","4","m167","m168","10.1107/S1600536801004822","","","0.71073","MoKα","","0.0328","0.0312","","","","0.0773","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200245","5.126","0.0002","8.565","0.0004","18.754","0.0009","90","","91.996","0.003","90","","822.88","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-O-Succinimidyl N-[2-(tert-butoxycarbonylamino)propyl]carbamate","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C26 H42 N6 O12 -","2","1","YA6006","Menschise, Valeria; Didierjean, Claude; Semetey, Vincent; Guichard, Gilles; Briand, Jean-Paul; Aubry, Andre","(S)-O-Succinimidyl N-[2-(tert-butoxycarbonylamino)propyl]carbamate","Acta Crystallographica Section E","2001","57","3","o222","o224","10.1107/S1600536801002410","","","0.7107","MoKα","","0.053","0.037","","","","0.097","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200281","9.4224","0.0002","5.0947","0.0001","21.551","0.0007","90","","94.895","0.0009","90","","1030.77","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-benzyl-L-cysteine","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","2","BT6050","Troup, Susan D.; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.","S-Benzyl-L-cysteine","Acta Crystallographica Section E","2001","57","6","o535","o537","10.1107/S1600536801008340","","","0.71073","MoKα","","0.095","0.062","","","","0.16","","","","","","0.994","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200311","6.6181","0.0012","7.4989","0.0011","9.9","0.004","90","","92.62","0.02","90","","490.8","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Trichloro(sarcosinium) zinc(II) monohydrate","Trichloro(sarcosinium) zinc(II) monohydrate","","- C3 H10 Cl3 N O3 Zn -","- C3 H10 Cl3 N O3 Zn -","- C6 H20 Cl6 N2 O6 Zn2 -","2","1","NA6068","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Trichloro(sarcosinio)zinc(II) monohydrate","Acta Crystallographica Section E","2001","57","5","m192","m194","10.1107/S160053680100592X","","","0.71073","MoKα","","0.0179","0.0173","","","","0.0527","","","","","","1.275","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200323","11.235","0.003","5.8312","0.0014","13.0948","0.0019","90","","91.282","0.016","90","","857.7","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valine L-Valinium Perchlorate","L-Valine L-Valinium Perchlorate monohydrate","","- C10 H25 Cl N2 O9 -","- C10 H25 Cl N2 O9 -","- C20 H50 Cl2 N4 O18 -","2","1","OB6036","S. Pandiarajan; B. Sridhar; R. K. Rajaram","L-Valine L-valinium perchlorate monohydrate","Acta Crystallographica Section E","2001","57","5","o466","o468","10.1107/S160053680100681X","","","0.71073","MoKα","","0.0445","0.0371","","","","0.11","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200349","9.4515","0.0002","10.7953","0.0003","12.7494","0.0004","90","","109.025","0.001","90","","1229.79","0.06","149","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","oxobis(2,2,6,6-tetramethyl-3,5-heptadionato)vanadium(IV)","","- C22 H38 O5 V -","- C22 H38 O5 V -","- C44 H76 O10 V2 -","2","1","TK6017","Urs, Usha K.; Anitha, K. C.; Lakshmi Raghunathan, K.; Shivashankar, S. A.; Robinson, W. T.; Guru Row, T. N.","Low-temperature oxobis(2,2,6,6-tetramethyl-3,5-heptanedionato)vanadium(IV)","Acta Crystallographica Section E","2001","57","6","m242","m243","10.1107/S1600536801007760","","","0.71073","MoKα","","","0.074","","","","0.187","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200385","8.626","0.002","9.924","0.003","5.179","0.001","90","","103.719","0.009","90","","430.7","0.18","293","2","21","2","","","","","","","","4","P 1 21 1","P 2yb","4","cyclo(analine-4-hydroxyproline)","2-hydroxy-6-methyl-1,2,3,5,6,7,8,8a-octahydro-7-azaindolizine-5,8-dione","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","BT6054","Pavkovic, Stephen F.; Zerkowski, Jonathan A.; Zeng, Qi","Cyclo(alanine-4-hydroxyproline)","Acta Crystallographica Section E","2001","57","8","o798","o799","10.1107/S1600536801012636","","","0.7107","MoKα","","0.0562","0.04","","","","0.096","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200394","9.078","0.002","5.928","0.002","10.7711","0.0018","90","","98.998","0.017","90","","572.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","BT6065","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","Imidazolium 2-chloro-4-nitrobenzoate","Acta Crystallographica Section E","2001","57","8","o744","o745","10.1107/S1600536801011977","","","0.71073","MoKα","","0.05","0.032","","","","0.076","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200436","12.3201","0.0012","5.9377","0.0015","14.2908","0.0016","90","0.014","111.369","0.01","90","0.013","973.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(D-phenylglycinium)sulfate monohydrate","Bis(D-phenylglycinium) sulfate monohydrate","","- C16 H22 N2 O9 S -","- C16 H22 N2 O9 S -","- C32 H44 N4 O18 S2 -","2","1","CI6028","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(D-phenylglycinium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","8","o754","o756","10.1107/S1600536801011941","","","0.7107","MoKα","","0.045","0.043","","","","0.133","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200445","10.3369","0.0004","4.7557","0.0002","14.2208","0.0007","90","","102.495","0.0018","90","","682.52","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylethyl 2-[(1-bromo-2-naphthalenyl)oxy]ethanoate","","- C15 H15 Br O3 -","- C15 H15 Br O3 -","- C30 H30 Br2 O6 -","2","1","CI6040","Janet M. S. Skakle; Solange M. S. V. Wardell","1-Methylethyl 2-[(1-bromo-2-naphthyl)oxy]ethanoate","Acta Crystallographica Section E","2001","57","8","o767","o768","10.1107/S160053680101176X","","","0.71073","MoKα","","0.05","0.042","","","","0.112","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200453","7.744","0.005","7.284","0.005","11.653","0.005","90","","92.6","0.005","90","","656.6","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Argininium dinitrate","L-Argininium dinitrate","","- C6 H16 N6 O8 -","- C6 H16 N6 O8 -","- C12 H32 N12 O16 -","2","1","CI6051","Ramaswamy, S.; Sridhar, B.; Ramakrishnan, V.; Rajaram, R. K.","L-Argininium dinitrate","Acta Crystallographica Section E","2001","57","9","o872","o874","10.1107/S1600536801013460","","","1.5418","CuKα","","0.074","0.07","","","","0.218","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200461","12.11","0.009","6.084","0.003","15.024","0.011","90","","109.54","0.11","90","","1043.2","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α-Hydroxy-20-oxopregn-5-en-3β-yl-acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","CV6029","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α-Hydroxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section E","2001","57","7","o571","o573","10.1107/S1600536801008996","","","0.71073","MoKα","","0.0925","0.0405","","","","0.1185","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200467","10.9909","0.0002","10.5488","0.0002","11.3876","0.0002","90","","100.526","0.001","90","","1298.07","0.04","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:4,5-di-O-isopropylidene-β-D-erythro-hexo-2,3-diulo-2,6 -pyranose","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","2","CV6035","Marián Ďurík; Vratislav Langer; Dalma Gyepesová; Júlia Mičová; Bohumil Steiner; Miroslav Koóš","1,2:4,5-Di-O-isopropylidene-β-D-erythro-hexo-2,3-diulo-2,6-pyranose","Acta Crystallographica Section E","2001","57","8","o672","o674","10.1107/S160053680101073X","","","0.71073","MoKα","","0.052","0.0356","","","","0.0914","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200488","10.4164","0.0002","7.5425","0.0002","14.4209","0.0003","90","","107.762","0.0011","90","","1078.98","0.04","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","NA6083","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(20R)-Methyl-3-oxochola-1,4,22-trien-24-oate","Acta Crystallographica Section E","2001","57","7","o576","o577","10.1107/S1600536801008777","","","0.71073","MoKα","","0.1014","0.047","","","","0.1139","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200489","5.929","0.001","8.195","0.007","11.503","0.002","90","","100.06","0.01","90","","550.3","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-serinium D-serine nitrate","D-serinium D-serine nitrate","","- C6 H15 N3 O9 -","- C6 H15 N3 O9 -","- C12 H30 N6 O18 -","2","1","NA6085","Ravikumar, B.; Sridhar, B.; Rajaram, R. K.","D-Serinium D-serine nitrate","Acta Crystallographica Section E","2001","57","8","o682","o684","10.1107/S1600536801009035","","","0.71073","MoKα","","0.0359","0.0263","","","","0.0743","","","","","","0.947","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200535","5.2472","0.0001","5.2528","0.0001","58.726","0.001","90","","92.543","0.001","90","","1617.04","0.05","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","2","TK6027","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.; Spencer, Gayland","A new Cryptocarya lactone","Acta Crystallographica Section E","2001","57","7","o648","o649","10.1107/S1600536801010273","","","1.54178","CuKα","","0.057","0.057","","","","0.164","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200543","5.929","0.002","14.133","0.002","10.3892","0.0012","90","","95.065","0.016","90","","867.2","0.3","273","1","273","1","","","","","","","","3","P 1 21 1","P 2yb","4","","[3E]-3-deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene- α-D-ribohexofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","WN6022","Linden, Anthony; Lee, C. Kuan; Siew, Kum Fong","[3E]-3-Deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene-α-D-ribohexofuranose","Acta Crystallographica Section E","2001","57","7","o594","o595","10.1107/S1600536801009710","","","0.71069","MoKα","","0.1424","0.0638","","","","0.2001","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200547","6.879","0.002","29.563","0.009","8.511","0.003","90","","99.11","0.02","90","","1709","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C76 H100 N4 O8 -","4","2","WN6026","Dupont, Léon; Khelili, Smail; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","Absolute configuration of N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide","Acta Crystallographica Section E","2001","57","7","o650","o651","10.1107/S1600536801010285","","","0.71069","MoKα","","0.0571","0.0531","","","","0.1495","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200556","11.5563","0.0001","9.9957","0.0002","42.9208","0.001","90","","91.3492","0.0015","90","","4956.55","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","asco6d","desoxazoline-ascidiacyclamide dimer (DMF & H2O solvated) cyclo(-Ile-Thr-D-Val-Thz-Ile-D-alloIle-D-Val-Thz-)2 [Thz = thiazole, Thr = (2S,3R), D-alloThr = (2R,3R)]","","- C81 H135 N19 O20 S4 -","- C81 H135 N19 O20 S4 -","- C162 H270 N38 O40 S8 -","2","1","WN6037","Asano, Akiko; Taniguchi, Taizo; Sasaki, Masahiro; Hasegawa, Hiroshi; Katsuya, Yoshio; Doi, Mitsunobu","A β-sheet structure formed by C‒H···O hydrogen bonds between the thiazole rings and amide bonds of a dimeric desoxazoline ascidiacyclamide analogue","Acta Crystallographica Section E","2001","57","9","o834","o838","10.1107/S160053680101279X","","","0.836","synchrotron","","0.0973","0.0967","","","","0.2592","","","","","","1.248","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200569","7.2397","0.0013","36.724","0.008","7.304","0.002","90","","115.69","0.02","90","","1750","0.7","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ludongnin","octahydro-5'-hydroxy-7a-methyl-8'- methylene-spiro[ isobenzofuran-4( 1H ), 4' ( 3'H )-[ 1H-7, 9a ] methanocyclohepta[c]pyran ]-1', 3, 9'( 3aH, 4'aH )-trione","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","YA6035","Shi, Hao; Pan, Yuan Jiang; Jin, Zhi Min","Natural diterpenoid ludongnin, octahydro-5'-hydroxy-7a-methyl-8'-methylenespiro[isobenzofuran-4(1H),4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione","Acta Crystallographica Section E","2001","57","8","o685","o687","10.1107/S1600536801010078","","","0.71073","MoKα","","0.058","0.038","","","","0.081","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200590","10.0298","0.0015","6.3718","0.0015","11.2238","0.0014","90","","100.685","0.011","90","","704.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,6-diisopropylbenzene phosphoric acid","2,6-Diisopropylbenzene dihydrogen phosphate","","- C12 H19 O4 P -","- C12 H19 O4 P -","- C24 H38 O8 P2 -","2","1","BT6070","Onoda, Akira; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","One-dimensional P‒OH···O=P hydrogen bonds restricted by the bulky molecule 2,6-diisopropylphenyl dihydrogen phosphate","Acta Crystallographica Section E","2001","57","11","o1022","o1024","10.1107/S160053680101635X","","","0.71069","MoKα","","0.0667","0.0347","","","","0.1057","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200593","5.5955","0.0011","10.684","0.002","12.224","0.002","90","","98.687","0.004","90","","722.4","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(1-Phenylethyl)quinoline-2-carboxamide","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","BT6079","Yang, Qi-Yun; Zhou, Zhong-Yuan; Qi, Jian-Ying","(R)-N-(1-Phenylethyl)quinoline-2-carboxamide","Acta Crystallographica Section E","2001","57","10","o971","o972","10.1107/S1600536801014325","","","0.71073","MoKα","","0.0547","0.038","","","","0.0898","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200617","6.052","0.0007","10.2748","0.0007","7.1621","0.0009","90","","91.335","0.004","90","","445.24","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R)-(-)-Fenchone","(-)-1,3,3-trimethyl-2-norbornanone","","- C10 H16 O -","- C10 H16 O -","- C20 H32 O2 -","2","1","CF6114","Bond, Andrew D.; Davies, John E.","(1R)-({-})-Fenchone","Acta Crystallographica Section E","2001","57","11","o1034","o1035","10.1107/S1600536801016932","","","0.7107","MoKα","","0.0605","0.0558","","","","0.1565","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200636","7.309","0.001","8.541","0.001","13.412","0.001","90","","96.89","0.01","90","","831.21","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","octafluoronaphthalene : 1,8-diaminonaphthalene (1/1)","","- C20 H10 F8 N2 -","- C20 H10 F8 N2 -","- C40 H20 F16 N4 -","2","1","CI6058","Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.","Octafluoronaphthalene‒1,8-diaminonaphthalene (1/1)","Acta Crystallographica Section E","2001","57","10","o950","o952","10.1107/S1600536801015100","","","0.71073","MoKα","","0.036","0.03","","","","0.083","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200640","11.056","0.0009","5.3326","0.0004","11.4712","0.0007","90","0.01","101.07","0.01","90","0.01","663.73","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium maleate","L-Phenylalaninium maleate","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","CI6062","M. Alagar; R. V. Krishnakumar; S. Natarajan","L-Phenylalaninium maleate","Acta Crystallographica Section E","2001","57","10","o968","o970","10.1107/S1600536801015240","","","1.5418","CuKα","","0.03","0.028","","","","0.078","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200650","9.5207","0.001","9.1141","0.001","14.1033","0.0014","90","","101.957","0.008","90","","1197.2","0.2","89","2","89","2","","","","","","","","6","P 1 21 1","P 2yb","4","oxazolidinone derivative","(3R,4S,5R,6R)-5-[(1R)-1-Chloro(phenylmethyl)]-3-[(4-methylphenyl) sulfonyl]-4-phenyl-1-aza-8-oxabicyclo[4.3.0]nonan-9-one","","- C27 H26 Cl N O4 S -","- C27 H26 Cl N O4 S -","- C54 H52 Cl2 N2 O8 S2 -","2","1","CI6075","Mariuska Reynoso-Paz; Marilyn M. Olmstead; Mark J. Kurth; Neil E. Schore","An enantiopure bicyclic pentasubstituted piperidine","Acta Crystallographica Section E","2001","57","12","o1177","o1178","10.1107/S1600536801019055","","","0.71073","MoKα","","0.037","0.03","","","","0.071","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200667","14.042","0.002","8.924","0.002","16.091","0.003","90","","94.41","0.002","90","","2010.4","0.7","173","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydrated sodium cytidine-5'-monophosphate","","- C9 H25 N3 Na2 O14.5 P -","- C9 H12 N3 Na2 O14.5 P -","- C36 H48 N12 Na8 O58 P4 -","4","2","CV6066","Gh. Borodi; A. Hernanz; I. Bratu; Mihaela Pop; R. Navarro","Hydrated sodium cytidine-5'-monophosphate","Acta Crystallographica Section E","2001","57","11","m514","m516","10.1107/S1600536801016786","","","0.7107","MoKα","","0.1644","0.0613","","","","0.186","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200683","11.514","0.0006","11.207","0.0004","11.848","0.0006","90","","109.341","0.002","90","","1442.55","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O4 -","- C31 H48 O4 -","- C62 H96 O8 -","2","1","DN6009","Daoubi, M.; Benharref, A.; Pierrot, M.","3β-Acétoxy nor-31-lanostène-7,11-dione","Acta Crystallographica Section E","2001","57","12","o1187","o1188","10.1107/S1600536801019122","","","0.7107","MoKα","","0.0617","0.0543","","","","0.1437","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200707","15.222","0.002","16.848","0.002","15.93","0.002","90","","114.27","0.01","90","","3724.3","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.25 H22 N3 O3.25 -","- C20.25 H22 N3 O3.25 -","- C162 H176 N24 O26 -","8","4","OB6067","Hansen, Lars Kr.; Størmer, Fredrik C.; Petersen, Dirk; Aasen, Arne J.","Cycloechinulin, a Trp-Ala-derived alkaloid from the fungus Aspergillus ochraceus","Acta Crystallographica Section E","2001","57","10","o909","o912","10.1107/S1600536801014234","","","0.71069","MoKα","","0.1767","0.0636","","","","0.2089","","","","","","0.826","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200717","7.569","0.002","9.397","0.002","12.31","0.003","90","","92.62","0.02","90","","874.6","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","ludongnin B","spiro[isobenzofuran-4 (1H),4'(3'H)-[1H-7,9a] methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione, octahydro-7a,8'-dimethyl","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","OB6077","Shi, Hao; Pan, Yuan Jiang; Zhang, Xue Qin; Yu, Kai Bei","Octahydro-7a,8'-dimethylspiro[isobenzofuran-4(1H),4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione","Acta Crystallographica Section E","2001","57","11","o1007","o1009","10.1107/S1600536801015847","","","0.71073","MoKα","","0.1146","0.0529","","","","0.1283","","","","","","0.872","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200767","6.1329","0.0008","14.3524","0.0013","9.4381","0.001","90","","103.919","0.009","90","","806.37","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,4R)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C28 H42 I2 O4 S2 -","2","1","WN6047","Guido J. Reiß; Marek Masnyk","(2R,4R)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o961","o963","10.1107/S1600536801015070","","","0.71073","MoKα","","0.046","0.035","","","","0.0656","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200774","12.584","0.003","10.083","0.002","13.956","0.003","90","","102.57","0.03","90","","1728.4","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","2","WN6054","Cai, Yue-Peng; Tan, Duan-Min; Liao, Miao-Fen; Su, Cheng-Yong; Xu, Zun-Le; Kang, Bei-Sheng","1-Oxo-13c-propoxy-1,13c-dihydrodibenzo[a,kl]xanthene","Acta Crystallographica Section E","2001","57","11","o1014","o1015","10.1107/S1600536801016087","","","0.71073","MoKα","","0.0751","0.0441","","","","0.097","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200789","15.575","0.003","10.434","0.008","12.217","0.003","90","","94.65","0.01","90","","1978.8","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,5R)-2-(N-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-O-acetyl-D- manno-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene","","- C40 H43 N3 O13 S -","- C40 H43 N3 O13 S -","- C80 H86 N6 O26 S2 -","2","1","WN6070","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","(4R,5R)-2-(N-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-O-acetyl-D-manno-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene at 150K","Acta Crystallographica Section E","2001","57","12","o1255","o1257","10.1107/S1600536801019559","","","0.71069","MoKα","","0.0544","0.0413","","","","0.1076","","","1.02","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200791","12.536","0.016","5.378","0.004","14.962","0.009","90","","107.83","0.08","90","","960.3","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒nitric acid (2/1)","L-Phenylalanine‒nitric acid (2/1)","","- C18 H23 N3 O7 -","- C18 H16 N3 O7 -","- C36 H32 N6 O14 -","2","1","YA6047","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","L-Phenylalanine‒nitric acid (2/1)","Acta Crystallographica Section E","2001","57","10","o916","o918","10.1107/S1600536801014350","","","0.71073","MoKα","","0.093","0.069","","","","0.22","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200845","9.608","0.002","12.423","0.003","14.549","0.004","90","","107.47","0.01","90","","1656.5","0.7","168","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H50 Cd Cl N4 O11.5 -","- C27 H50 Cd Cl N4 O11.5 -","- C54 H100 Cd2 Cl2 N8 O23 -","2","1","CF6134","Smith, Christopher. B.; Lincoln, Stephen. F.; Taylor, Max. R.; Wainwright, Kevin. P.","{Δ-1,4,7,10-Tetrakis[(S)-2-hydroxypropyl-κO]-1,4,7,10-tetraazacyclododecane-κ^4^N}cadmium(II) salicylate perchlorate hemihydrate","Acta Crystallographica Section E","2002","58","1","m33","m35","10.1107/S1600536801021316","","","0.71073","MoKα","","","0.037","","","","0.061","","","","","","1.418","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2200865","7.848","0.006","7.3951","0.0014","12.834","0.005","90","","90.95","0.04","90","","744.7","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(L-proline) H + perchlorate","Bis(L-proline) H + perchlorate","","- C10 H19 Cl N2 O8 -","- C10 H19 Cl N2 O8 -","- C20 H38 Cl2 N4 O16 -","2","1","CI6056","S. Pandiarajan; B. Sridhar; R. K. Rajaram","Bis(L-proline) hydrogen(1+) perchlorate","Acta Crystallographica Section E","2002","58","1","o74","o76","10.1107/S1600536801021304","","","0.71073","MoKα","","0.066","0.051","","","0.131","0.145","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200891","13.473","0.002","6.134","0.001","13.785","0.003","90","","109.51","0.02","90","","1073.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(L-tyrosinium)sulfate monohydrate","Bis(L-tyrosinium)sulfate monhydrate","","- C18 H26 N2 O11 S -","- C18 H26 N2 O11 S -","- C36 H52 N4 O22 S2 -","2","1","CV6082","Sridhar, B.; Srinivasan, N.; Rajaram, R. K.","Bis(L-tyrosinium) sulfate monohydrate","Acta Crystallographica Section E","2002","58","2","o211","o214","10.1107/S1600536802001174","","","0.71073","MoKα","","0.0325","0.03","","","0.0826","0.0844","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200897","10.2083","0.0002","7.5434","0.0002","11.0118","0.0003","90","","109.677","0.001","90","","798.45","0.03","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Matricarin","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","CV6091","Parvez, Masood; Ahmad, Viqar Uddin; Farooq, Umar; Jassbi, Amir Reza; Raziullah, Hussaini S.","Matricarin","Acta Crystallographica Section E","2002","58","3","o324","o325","10.1107/S1600536802002982","","","0.71069","MoKα","","0.0385","0.0342","","","0.0894","0.0928","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200902","12.1894","0.0007","8.9921","0.0003","13.0425","0.0008","90","","107.97","0.01","90","","1359.83","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 N O7 S -","- C27 H35 N O7 S -","- C54 H70 N2 O14 S2 -","2","1","DN6011","Garzino, Frédéric; Méou, Alain; Brun, Pierre; Pèpe, Gérard","(2R,3R)-2-(4-Methoxyphenyl)-3-{1-[(3aS)-(3aα,6α,7aα)-hexahydro-8,8-dimethyl-3H-3a,6-methano-2,2-dioxo-2,1-benzoisothiazolyl]carbonyl}-4-isopropoxycarbonyl-5-methyl-2,2-dihydrofuran","Acta Crystallographica Section E","2002","58","3","o310","o311","10.1107/S1600536802000971","","","0.71069","MoKα","","0.0775","0.0571","","","0.119","0.1275","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200920","7.566","0.0003","17.7842","0.0008","10.2284","0.0004","90","","104.689","0.003","90","","1331.3","0.1","120","1","120","1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-(2-Methyl-2,3-dihydro-indol-1-ylmethyl)-1H-benzotriazole","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","NA6115","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Abonia, Rodrigo; Albornoz, Andrea","1-(2-Methyl-2,3-dihydroindol-1-ylmethyl)-1H-benzotriazole","Acta Crystallographica Section E","2002","58","1","o55","o56","10.1107/S1600536801020682","","","0.71073","MoKα","","0.1015","0.0598","","","0.1279","0.1455","","","","","","0.979","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200930","14.7661","0.0003","10.5226","0.0002","16.8753","0.0005","90","","98.8586","0.0007","90","","2590.77","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Octanoic acid derivative of a macrocyclic salicylate","2-[(7R,9S,10R,12E)-4,9-Dihydroxy-10-methyl-5-oxo-7,8,9,10,11,14-hexahydro-5H- 6-oxa-benzocyclododecen-7-yl]ethyl octanoate","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","2","NA6127","Esser, Lothar; De Brabander, Jef K.","2-[(7R,9S,10R,12E)-4,9-Dihydroxy-10-methyl-5-oxo-7,8,9,10,11,14-hexahydro-5H-6-oxa-benzocyclododecen-7-yl]ethyl octanoate","Acta Crystallographica Section E","2002","58","2","o142","o144","10.1107/S1600536802000466","","","0.71069","MoKα","","0.0745","0.0565","","","0.1515","0.1663","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200964","10.283","0.003","8.124","0.002","11.757","0.004","90","","113.673","0.011","90","","899.5","0.5","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2(S)-tert-butyl-4-methoxy-6(S)-carbomethoxy-1,2,5,6-tetrahydro- 1,3-pyrimidine","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","1","OM6076","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","1-Benzoyl-2(S)-tert-butyl-4-methoxy-6(S)-carbomethoxy-1,2,5,6-tetrahydro-1,3-pyrimidine: a useful precursor of α-alkylated aspartic acids","Acta Crystallographica Section E","2002","58","3","o261","o262","10.1107/S1600536802002210","","","0.71073","MoKα","","0.052","0.039","","","0.082","0.088","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200969","13.441","0.001","4.876","0.0004","15.47","0.002","90","","97.12","0.01","90","","1006.06","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-phenylalanine L-phenylalanium dihydrogen phosphate","L-phenylalanine L-phenylalanium dihydrogen phosphate","","- C18 H25 N2 O8 P -","- C18 H25 N2 O8 P -","- C36 H50 N4 O16 P2 -","2","1","TK6046","Ravikumar, B.; Sridhar, B.; Rajaram, R.K.","L-Phenylalanine L-phenylalaninium dihydrogenphosphate","Acta Crystallographica Section E","2002","58","2","o123","o125","10.1107/S1600536802000090","","","0.71073","MoKα","","0.172","0.063","","","0.135","0.184","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200983","11.9017","0.0009","12.0284","0.001","18.8388","0.0011","90","","92.184","0.005","90","","2695","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H52 O2 -","- C30 H52 O2 -","- C120 H208 O8 -","4","2","WN6075","Kooijman, Huub; Spek, Anthony L.","(5α,7α)-7-Hydroxy-4,4,7-trimethylcholestan-3-one","Acta Crystallographica Section E","2002","58","1","o48","o49","10.1107/S1600536801021134","","","0.71073","MoKa","","0.1148","0.065","","","0.1177","0.1365","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201027","11.3936","0.0003","10.8972","0.0003","19.5047","0.0007","90","","104.239","0.0011","90","","2347.27","0.12","120","2","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H48 -","- C27 H48 -","- C108 H192 -","4","2","BT6125","Coles, Simon J.; Frampton, Christopher S.; Hursthouse, Michael B.","5α-Cholestane","Acta Crystallographica Section E","2002","58","4","o445","o446","10.1107/S1600536802004786","","","0.71073","MoKα","","","0.0616","","","","0.1369","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201044","5.0935","0.0011","6.274","0.002","5.3847","0.0012","90","","113.19","0.02","90","","158.17","0.07","294","1","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","glycine","aminoacetic acid","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","BT6144","Tat'yana N. Drebushchak; Elena V. Boldyreva; Elena S. Shutova","β-Glycine","Acta Crystallographica Section E","2002","58","6","o634","o636","10.1107/S160053680200836X","","","0.71069","MoKα","","0.0297","0.0252","","","0.0722","0.0761","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201045","7.7769","0.0004","6.2492","0.0003","9.6263","0.0005","90","","92.749","0.002","90","","467.29","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","BT6145","Kennedy, Alan R.; Sherwood, John N.; Slavin, Paul A.","5-Methoxy-2,3-dimethylindole","Acta Crystallographica Section E","2002","58","6","o642","o643","10.1107/S1600536802008383","","","0.71073","MoKα","","0.0858","0.0439","","","0.0828","0.0951","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201050","6.7089","0.0016","12.065","0.0015","11.0782","0.0016","90","","97.472","0.017","90","","889.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Lithium Borodilactate","","- C6 H8 B Li O6 -","- C6 H8 B Li O6 -","- C24 H32 B4 Li4 O24 -","4","2","CF6157","Dhanuskodi, S.; Angeli Mary, P. .A; Thamotharan, S.; Parthasarathi, V.","Lithium borodilactate","Acta Crystallographica Section E","2002","58","5","m212","m214","10.1107/S1600536802006773","","","0.71073","MoKα","","0.0346","0.0278","","","0.0712","0.0789","","","","","","0.993","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201094","5.1944","0.0006","7.803","0.001","11.05","0.001","90","","98.75","0.01","90","","442.66","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-ornithine nitrate","L-ornithine nitrate","","- C5 H13 N3 O5 -","- C5 H13 N3 O5 -","- C10 H26 N6 O10 -","2","1","CI6124","S. Ramaswamy; B. Sridhar; V. Ramakrishnan; R. K. Rajaram","L-Ornithine nitrate","Acta Crystallographica Section E","2002","58","6","o646","o648","10.1107/S1600536802008358","","","0.71073","MoKα","","0.039","0.037","","","0.088","0.09","","","","","","1.16","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201097","7.9938","0.0001","14.4485","0.0002","9.8439","0.0001","90","","112.278","0.001","90","","1052.09","0.02","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2'-dimethoxy-4,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)diphenyl 1,1'-diacetate","","- C24 H26 O8 -","- C24 H26 O8 -","- C48 H52 O16 -","2","1","CM6002","Langer, Vratislav; Lundquist, Knut; Stomberg, Rolf","The diacetate of (+)-pinoresinol","Acta Crystallographica Section E","2002","58","4","o402","o404","10.1107/S1600536802004403","","","0.71073","MoKα","","0.0751","0.0523","","","0.1327","0.1492","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201111","10.316","0.003","16.988","0.005","11.635","0.003","90","","97.971","0.007","90","","2019.3","1","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2,2'-bis(dicyclohexylphosphinoamino)-1,1'-binaphthyl","","- C44 H58 N2 P2 -","- C44 H58 N2 P2 -","- C88 H116 N4 P4 -","2","1","CV6103","Guo, Rongwei; Wang, Lailai; Wu, Jing; Choi, Michael C. K.; Zhou, Zhongyuan","(S)-2,2'-Bis(dicyclohexylphosphinoamino)-1,1'-binaphthyl","Acta Crystallographica Section E","2002","58","6","o598","o599","10.1107/S1600536802006141","","","0.71073","MoKα","","0.1114","0.0681","","","0.1413","0.1554","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201128","8.752","0.002","10.473","0.002","15.685","0.003","90","","101.94","0.02","90","","1406.6","0.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Cl4 Fe N5 O2 -","- C26 H30 Cl4 Fe N5 O2 -","- C52 H60 Cl8 Fe2 N10 O4 -","2","1","DN6031","Lee, Sung Jea; Lee, Jun Yong; Yang, Hyun Woong; Kim, Cheal; Nam, Wonwoo; Kim, Youngmee","Tetraethylammonium dichloro[4,5-dichloro-1,2-bis(2-pyridine-2-carboxamido)benzene]ferrate(III), [Et~4~N][(bpc)FeCl~2~]","Acta Crystallographica Section E","2002","58","6","m313","m315","10.1107/S1600536802009273","","","0.71073","MoKα","","0.1195","0.0443","","","0.0839","0.102","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201187","10.9627","0.0005","4.8481","0.0002","18.515","0.0009","90","","105.991","0.001","90","","945.96","0.07","149","2","149","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","TK6059","Hayman, Alan R.; Simpson, Jim","N-Phthaloyl-L-alanyl-L-phenylalanine methyl ester","Acta Crystallographica Section E","2002","58","6","o596","o597","10.1107/S1600536802007067","","","0.71073","MoKα","","0.044","0.038","","","0.081","0.086","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201223","8.1183","0.0007","5.928","0.0005","9.0398","0.0007","90","","113","0.007","90","","400.46","0.06","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4-Dimethyl-3,5,8,10-tetraoxatricyclo[5.2.1.0^2,6^]decane","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","1","YA6101","Light, Mark E.; Murphy, Patrick J.; Brown, Paul M.; Hursthouse, Michael B.","4,4-Dimethyl-3,5,8,10-tetraoxatricyclo[5.2.1.0^2,6^]decane","Acta Crystallographica Section E","2002","58","5","o560","o561","10.1107/S160053680200661X","","","0.71073","MoKα","","0.052","0.033","","","0.063","0.069","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201238","5.1446","0.0008","13.721","0.003","7.4751","0.0009","90","0.01","98.09","0.01","90","0.01","522.41","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alaninium tartrate","L-alaninium tartrate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","AC6018","K. Rajagopal; M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan","L-Alaninium tartrate","Acta Crystallographica Section E","2002","58","11","o1306","o1308","10.1107/S1600536802019414","","","0.71073","MoKα","","0.0439","0.0436","","","0.114","0.1144","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201266","7.244","0.003","6.3067","0.0019","11.554","0.003","90","","99.41","0.03","90","","520.8","0.3","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S)-4-Benzyl-2-oxooxazolidine-5-carboxylic acid","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","BT6154","Clegg, William; Elsegood, Mark R. J.","(4S,5S)-4-Benzyl-2-oxooxazolidine-5-carboxylic acid","Acta Crystallographica Section E","2002","58","7","o765","o766","10.1107/S1600536802010747","","","1.54184","CuKα","","0.0275","0.0272","","","0.0736","0.0739","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201267","11.901","0.0009","5.7705","0.0004","13.7964","0.001","90","","109.043","0.002","90","","895.61","0.11","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,5S)-2-Benzyloxy-4-methyl-5-(4-tolylthiocarbonyl)oxazoline","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C38 H38 N2 O6 S2 -","2","1","BT6155","Clegg, William; Horsburgh, Lynne","(4S,5S)-2-Benzyloxy-4-methyl-5-(4-tolylthiocarbonyl)oxazoline","Acta Crystallographica Section E","2002","58","7","o767","o768","10.1107/S1600536802010759","","","0.71073","MoKα","","0.0321","0.03","","","0.0776","0.0791","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201329","10.868","0.002","5.742","0.001","17.19","0.002","90","","91.31","0.01","90","","1072.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","(Trimethylsilyl)acetylene","","","- C5 H10 Si -","- C5 H10 Si -","- C30 H60 Si6 -","6","3","CF6185","Bond, Andrew D.; Davies, John E.","(Trimethylsilyl)acetylene","Acta Crystallographica Section E","2002","58","7","o777","o778","10.1107/S1600536802010875","","","0.7107","MoKα","","0.1091","0.0961","","","0.2587","0.2726","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201332","10.883","0.002","9.44","0.002","11.21","0.002","90","","111.07","0.01","90","","1074.7","0.4","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzyl-4,5-diphenyl-3-vinylimidazolium bromide","","- C24 H21 Br N2 -","- C24 H21 Br N2 -","- C48 H42 Br2 N4 -","2","1","CF6189","Robert T. Stibrany; Joseph A. Potenza; Harvey J. Schugar","1-Benzyl-4,5-diphenyl-3-vinylimidazolium bromide","Acta Crystallographica Section E","2002","58","8","o848","o850","10.1107/S1600536802012291","","","0.71073","MoKα","","0.0547","0.0426","","","0.1023","0.1055","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201338","7.45","0.001","17.01","0.003","9.038","0.002","90","","114.32","0.03","90","","1043.7","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-Escholinine perchlorate","","","- C21 H26 Cl N O8 -","- C21 H26 Cl N O8 -","- C42 H52 Cl2 N2 O16 -","2","1","CF6195","Nečas, Marek; Dostál, Jiří; Slavík, Jiří","(+)-Escholinine perchlorate","Acta Crystallographica Section E","2002","58","9","o1023","o1024","10.1107/S160053680201512X","","","0.71073","MoKα","","0.0303","0.0282","","","0.0658","0.0667","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201381","10.682","0.002","5.577","0.002","16.829","0.006","90","","100.92","0.02","90","","984.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methioninium nitrate","","","- C5 H12 N2 O5 S -","- C5 H12 N2 O5 S -","- C20 H48 N8 O20 S4 -","4","2","CI6142","S. Pandiarajan; B. Sridhar; R. K. Rajaram","L-Methioninium nitrate","Acta Crystallographica Section E","2002","58","8","o882","o884","10.1107/S1600536802012461","","","0.71073","MoKα","","0.0561","0.0473","","","0.1232","0.1313","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201422","7.6086","0.0004","10.664","0.001","14.0482","0.0006","90","","93.98","0.006","90","","1137.1","0.13","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(3S,4R)-cis-4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-1-ium-4-yl) benzamide hydrogen (2R,3R)-dihydroxybutanedioate monohydrate","","- C18 H28 Cl N3 O10 -","- C18 H28 Cl N3 O10 -","- C36 H56 Cl2 N6 O20 -","2","1","CM6017","Peeters, Oswald M.; Blaton, Norbert M.","(+)-(3S,4R)-Norcisapride hydrogen (2R,3R)-tartrate monohydrate","Acta Crystallographica Section E","2002","58","10","o1169","o1171","10.1107/S1600536802017683","","","1.54178","CuKα","","0.0381","0.0371","","0.1068","","0.1068","","","1.064","","","1.064","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2201440","11.672","0.004","5.3982","0.0019","12.413","0.004","90","","105.02","0.005","90","","755.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Trans-s,s'-2-butene-1,4-diylbis(L-cysteine) dihydrate","","- C10 H22 N2 O6 S2 -","- C10 H22 N2 O6 S2 -","- C20 H44 N4 O12 S4 -","2","1","CV6127","Shi, Yun-Mei; Gu, Feng-Cai; Zhuang, Jun-Peng; Zhang, Wen-Qin","trans-S,S'-(But-2-ene-1,4-diyl)bis(L-cysteine) dihydrate","Acta Crystallographica Section E","2002","58","9","o975","o977","10.1107/S1600536802013442","","","0.71073","MoKα","","0.0568","0.0414","","","","0.0894","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201441","14.892","0.002","9.375","0.003","17.119","0.007","90","","99.18","0.02","90","","2359.4","1.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","20-Oxopregn-5-ene-3β,16α-diyl diacetate","","- C25 H36 O5 -","- C25 H36 O5 -","- C100 H144 O20 -","4","2","CV6128","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Cruz Silva, M. M.; Moreno, M. J. S. M; Sá e Melo, M. L.; Campos Neves, A. S.","20-Oxopregn-5-ene-3β,16α-diyl diacetate","Acta Crystallographica Section E","2002","58","8","o898","o900","10.1107/S1600536802012862","","","1.5418","CuKα","","0.0474","0.0434","","","0.1185","0.1236","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201444","9.5746","0.0009","11.347","0.001","29.241","0.003","90","","92.546","0.002","90","","3173.7","0.5","93","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","TNBO","4,4,8,8-Tetranitro-2,6-dioxabicyclo[3.3.0]octane","","- C6 H6 N4 O10 -","- C6 H6 N4 O10 -","- C72 H72 N48 O120 -","12","6","CV6131","Flippen-Anderson, Judith L.; Deschamps, Jeffrey R.; George, Clifford; Gilardi, Richard D.","4,4,8,8-Tetranitro-2,6-dioxabicyclo[3.3.0]octane","Acta Crystallographica Section E","2002","58","9","o1018","o1020","10.1107/S1600536802014101","","","0.71073","MoKα","","0.061","0.049","","","0.121","0.13","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201479","10.733","0.0005","12.6853","0.0005","14.0824","0.0005","90","","105.875","0.003","90","","1844.21","0.13","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C84 H68 N12 O12 -","4","2","DN6038","Evain, Michel; Pauvert, Mickaël; Collet, Sylvain; Guingant, Andre","A chiral oxazolidin-2-one-derived Reissert compound","Acta Crystallographica Section E","2002","58","10","o1121","o1122","10.1107/S1600536802016677","","","0.71069","MoKα","","0.0426","0.0352","","","0.0824","0.0848","","","","","","1.57","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201520","8.3031","0.0008","5.3377","0.0005","10.8485","0.0011","90","","108.659","0.002","90","","455.53","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Tricadmium(II) bis(selenite(IV)) selenate(VI)","","- Cd3 O10 Se3 -","- Cd3 O10 Se3 -","- Cd6 O20 Se6 -","2","1","MG6019","Weil, Matthias","Cd~3~Se~3~O~10~, isotypic with its mercury analogue","Acta Crystallographica Section E","2002","58","12","i127","i129","10.1107/S160053680202161X","","","0.71073","MoKα","","0.019","0.0182","","","0.0438","0.0439","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201528","6.605","0.005","25.23","0.008","6.87","0.005","90","","113.22","0.05","90","","1052.1","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-N-cyclohexyl-3,4-dihydroxypyrrolidine","","- C10 H19 N O2 -","- C10 H19 N O2 -","- C40 H76 N4 O8 -","4","2","NA6172","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Elisa S. Serra, M.; Rocha Gonsalves, A. M. d'A.; Silva, V. F.","(S,S)-N-Cyclohexyl-3,4-dihydroxypyrrolidine","Acta Crystallographica Section E","2002","58","11","o1285","o1287","10.1107/S1600536802019049","","","1.5418","CuKα","","0.0442","0.0401","","","0.0934","0.0968","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201548","9.5502","0.0005","8.6443","0.0005","13.1213","0.0006","90","","91.028","0.003","90","","1083.05","0.1","120","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Br N O3 S -","- C26 H20 Br N O3 S -","- C52 H40 Br2 N2 O6 S2 -","2","1","OB6142","Veronica Åberg; Dan Boström; Andreas Fischer; Fredrik Almqvist","Synthesis and absolute configuration of methyl (‒)-(3R)-8-(4-bromophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyridine-3-carboxylate","Acta Crystallographica Section E","2002","58","8","o812","o814","10.1107/S1600536802011480","","","0.71073","MoKα","","0.0524","0.0436","","","0.0975","0.1028","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201550","12.037","0.003","13.239","0.003","14.158","0.003","90","","113.728","0.004","90","","2065.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cs2","cis,cis-Ceratospongamide monohydrate (from MPD-water solution) cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-)","","- C41 H51 N7 O7 S -","- C41 H51 N7 O7 S -","- C82 H102 N14 O14 S2 -","2","1","OB6144","Mitsunobu Doi; Akiko Asano","cis,cis-Ceratospongamide monohydrate","Acta Crystallographica Section E","2002","58","8","o834","o836","10.1107/S1600536802011558","","","0.71073","MoKα","","0.107","0.0564","","","0.1159","0.141","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201566","6.6709","0.0006","5.7814","0.0005","8.8881","0.0006","90","","100.684","0.005","90","","336.85","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","n-Methyl-4-hydroxyproline","","- C6 H11 N O3 -","- C6 H11 N O3 -","- C12 H22 N2 O6 -","2","1","OB6161","Yapp, Donald T. T.; Steed, Jonathan W.; Houghton, Peter J.","4-Hydroxy-N-methylproline","Acta Crystallographica Section E","2002","58","9","o988","o989","10.1107/S160053680201406X","","","0.71073","MoKα","","0.0297","0.0265","","","0.0599","0.0613","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201568","9.767","0.002","13.298","0.003","13.272","0.003","90","","102.991","0.005","90","","1679.7","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-nitroacetanilide","N-[3-nitrophenyl]acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C64 H64 N16 O24 -","8","4","OB6163","Mahalakshmi, L.; Upadhyaya, V.; Guru Row, T. N.","3-Nitroacetanilide","Acta Crystallographica Section E","2002","58","9","o983","o984","10.1107/S1600536802013843","","","0.71073","MoKα","","0.0689","0.0588","","","0.144","0.154","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201584","9.87","0.003","5.8527","0.0009","14.888","0.003","90","","93.924","0.009","90","","858","0.3","170","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 N2 -","- C24 H14 N2 -","- C48 H28 N4 -","2","1","OB6179","Khan, Muhammad S.; Ahrens, Birte; Mahon, Mary F.; Male, Louise; Raithby, Paul R.","5,8-Diethynyl-2,3-diphenylquinoxaline","Acta Crystallographica Section E","2002","58","11","o1258","o1260","10.1107/S1600536802018561","","","0.71073","MoKα","","","0.0351","","","","0.0811","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201605","7.0647","0.0008","12.0073","0.0013","8.1788","0.0011","90","","103.247","0.008","90","","675.33","0.14","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","peruvin","(3aR,4aS,7aR,8S,9aR)-decahydro-7a-hydroxy-4a,8-dimethyl- methylene-azuleno[6,5-b]furan-2,5-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","OM6096","Fronczek, Frank R.","The pseudoguaianolide peruvin","Acta Crystallographica Section E","2002","58","8","o871","o873","10.1107/S1600536802011832","","","1.5418","CuKα","","0.037","0.037","","","0.109","0.109","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201606","7.646","0.002","11.633","0.002","23.709","0.004","90","","97.385","0.006","90","","2091.3","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","melampodinone","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","2","OM6097","Fronczek, Frank R.; Fischer, Nikolaus H.","Melampodinone","Acta Crystallographica Section E","2002","58","8","o874","o876","10.1107/S1600536802011844","","","0.71073","MoKα","","0.056","0.042","","","0.083","0.09","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201616","5.787","0.0012","9.4205","0.0019","13.242","0.003","90","","92.81","0.03","90","","721","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diaqua(N-salicylidene-L-2-phenylglycinate-κ^3^N,O,O')copper(II)","","- C15 H15 Cu N O5 -","- C15 H15 Cu N O5 -","- C30 H30 Cu2 N2 O10 -","2","1","OM6112","Weng, Jiabao; Hong, Maochun; Cao, Rong; Bi, Wenhua; Albert S. C. Chan","Diaqua(N-salicylidene-L-2-phenylglycinate-κ^3^N,O,O')copper(II)","Acta Crystallographica Section E","2002","58","12","m746","m747","10.1107/S1600536802020706","","","0.71073","MoKα","","","0.0246","","","0.0441","0.046","","","","","","0.85","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201704","11.372","0.0015","5.5876","0.0008","15.323","0.002","90","","107.782","0.005","90","","927.1","0.2","105","2","105","2","","","","","","","","6","P 1 21 1","P 2yb","4","L-methionine L-methioninium perchlorate monohydrate","L-methionine L-methioninium perchlorate monohydrate","","- C10 H25 Cl N2 O9 S2 -","- C10 H25 Cl N2 O9 S2 -","- C20 H50 Cl2 N4 O18 S4 -","2","1","YA6110","B. Sridhar; N. Srinivasan; Bjoern Dalhus; R. K. Rajaram","L-Methionine L-methioninium perchlorate monohydrate","Acta Crystallographica Section E","2002","58","7","o779","o781","10.1107/S1600536802010656","","","0.7107","MoKα","","0.032","0.029","","","0.082","0.086","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201709","8.5979","0.0002","6.9495","0.0002","8.9726","0.0002","90","","101.783","0.002","90","","524.83","0.02","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","bicyclo-HMX","cis-2,4,6,8-Tetranitro-1H,5H-2,4,6,8-tetraazabicyclo[3.3.0]octane","","- C4 H6 N8 O8 -","- C4 H6 N8 O8 -","- C8 H12 N16 O16 -","2","1","YA6116","Gilardi, Richard; Flippen-Anderson, Judith L.; Evans, Robin","cis-2,4,6,8-Tetranitro-1H,5H-2,4,6,8-tetraazabicyclo[3.3.0]octane, the energetic compound `bicyclo-HMX'","Acta Crystallographica Section E","2002","58","9","o972","o974","10.1107/S1600536802013582","","","1.54178","CuKα","","0.036","0.036","","","0.09","0.091","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201738","9.706","0.005","7.292","0.003","16.958","0.008","90","","104.519","0.006","90","","1161.9","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-butylthevinone","(7α-acetyl-4,5α-epoxy-3,6-dimethoxy-5β-butyl-17-methyl-6α, 14α ethenoisomorphinan)","","- C27 H35 N O4 -","- C27 H35 N O4 -","- C54 H70 N2 O8 -","2","1","AC6027","Chen, Weibin; Matthew D. Metcalf; Coop, Andrew; Flippen-Anderson, Judith L.; Deschamps, Jeffrey R.","5-Butylthevinone: stereochemistry of the Diels‒Alder reaction of 5-butylthebaine with 3-buten-2-one","Acta Crystallographica Section E","2003","59","2","o114","o116","10.1107/S1600536802023413","","","0.71073","MoKα","","0.1081","0.0557","","","0.1128","0.1236","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201751","14.819","0.003","9.4142","0.0016","18.635","0.003","90","","97.674","0.003","90","","2576.5","0.8","178","2","178","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(1-tert-Butyl-2-phenylvinylamino)(dimethylamino)dimethylsilyl-κ^2^N,N'] (N,N,N',N'-tetramethylenediamine-κ^2^N,N')lithium(I)","","- C22 H43 Li N4 Si -","- C22 H43 Li N4 Si -","- C88 H172 Li4 N16 Si4 -","4","2","AC6040","He-Ping Shi; Dian-Sheng Liu; Shu-Ping Huang","[(1-tert-Butyl-2-phenylvinylamino)(dimethylamino)dimethylsilyl-κ^2^N,N'] (N,N,N',N'-tetramethylenediamine-κ^2^N,N')lithium(I)","Acta Crystallographica Section E","2003","59","6","m339","m341","10.1107/S1600536803010353","","","0.71073","MoKα","","0.1027","0.0584","","","0.0582","0.0658","","","","","","0.833","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201760","5.5798","0.0003","5.0284","0.0003","8.4521","0.0005","90","","107.634","0.002","90","","226","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 Li2 O5 Se -","- H2 Li2 O5 Se -","- H4 Li4 O10 Se2 -","2","1","","Johnston, Magnus G.; Harrison, William T. A.","Dilithium selenate hydrate, Li~2~SeO~4~.H~2~O","Acta Crystallographica, Section E","2003","59","","i25","i27","10.1107/S1600536803002526","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2201776","15.403","0.003","7.3835","0.0014","16.281","0.003","90","","92.438","0.012","90","","1849.9","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-(-)-5,6,9,10-tetrahydro-10- [(2-methyl-1H-imidazol-1-yl)-methyl]-4H-pyrido[3,2,1-jk]-carbazol-11(8H)-one monohydrochloride monohydrate","","- C20 H24 Cl N3 O2 -","- C20 H24 Cl N3 O2 -","- C80 H96 Cl4 N12 O8 -","4","2","BT6214","Jones, Peter G.; Möller, Hedwig; Finner, Emil","Cilansetron hydrochloride monohydrate, modification A (monoclinic)","Acta Crystallographica Section E","2003","59","1","o38","o40","10.1107/S160053680202247X","","","0.71073","MoKα","","0.0772","0.0458","","","0.0937","0.103","","","","","","0.9","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201783","7.9957","0.001","14.527","0.003","8.3194","0.0014","90","","94.93","0.02","90","","962.8","0.3","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-O-p-toluenesulfonyl-2,3:4,5-di-O-isopropylidene-L-arabitol","","- C18 H26 O7 S -","- C18 H26 O7 S -","- C36 H52 O14 S2 -","2","1","BT6221","Jones, Peter G.; Kuś, Piotr; Celinski, Rafael","1-O-p-Toluenesulfonyl-2,3:4,5-di-O-isopropylidene-L-arabitol","Acta Crystallographica Section E","2003","59","2","o117","o118","10.1107/S1600536802023449","","","0.71073","MoKα","","0.0434","0.0395","","","0.0959","0.1","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201784","8.137","0.002","7.519","0.002","31.439","0.008","90","","95.535","0.008","90","","1914.5","0.8","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","2","BT6222","Kooijman, Huub; Spek, Anthony L.","(1E,3S,4aR,12aR)-3-Isopropenyl-8-methoxy-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone oxime","Acta Crystallographica Section E","2003","59","2","o121","o123","10.1107/S1600536802023693","","","0.71073","MoKα","","0.0916","0.0574","","","0.1409","0.1561","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201864","9.1206","0.0002","18.7541","0.0007","9.9829","0.0003","90","","103.206","0.002","90","","1662.41","0.09","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(-)-BINAP","(S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl","","- C44 H32 P2 -","- C44 H32 P2 -","- C88 H64 P4 -","2","1","CF6247","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.","(S)-({-})-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, a versatile chelating ligand","Acta Crystallographica Section E","2003","59","4","o535","o537","10.1107/S1600536803006019","","","0.71073","MoKα","","0.0588","0.0417","","","0.0803","0.0877","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201888","6.9036","0.0002","12.3647","0.0003","9.5054","0.0001","90","","100.454","0.001","90","","797.92","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","Melilotocarpan D monohydrate","3,9-Dimethoxy-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-4,10-diol monohydrate","","- C17 H18 O7 -","- C17 H18 O7 -","- C34 H36 O14 -","2","1","CI6203","Aree, Thammarat; Tip-pyang, Santi; Paramapojn, Sompol; Chaichit, Narongsak","3,9-Dimethoxy-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-4,10-diol monohydrate","Acta Crystallographica Section E","2003","59","3","o381","o383","10.1107/S1600536803004227","","","0.71073","MoKα","","0.0489","0.0376","","","0.0887","0.0947","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201916","14.1855","0.0003","10.639","0.0002","18.3343","0.0004","90","","102.572","0.0009","90","","2700.66","0.1","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","heptapivaloyl α,α-trehalose","2,2',3,3',4,6,6'-hepta-O-pivalato-α,α'-trehalose","","- C47 H78 O18 -","- C47 H78 O18 -","- C94 H156 O36 -","2","1","CM6040","Thomas C. Baddeley; Simon M. Clow; Philip J. Cox; Iain G. Davidson; Alison M. Murdoch; James L. Wardell","Disordered 2,2',3,3',4,6,6'-hepta-O-pivaloyl-α,α'-trehalose","Acta Crystallographica Section E","2003","59","6","o753","o755","10.1107/S1600536803009474","","","0.71073","MoKα","","0.0939","0.0782","","","0.2174","0.2337","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201949","12.0961","0.0008","4.775","0.0004","15.3516","0.0012","90","","97.719","0.003","90","","878.66","0.12","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4-Methoxyphenyl)-4-(4-phenyl-1,3-butadienoyl)sydnone","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","CV6197","Thamotharan, S.; Parthasarathi, V.; Sanyal, R.; Badami, Bharati; Linden, Anthony","3-(4-Methoxyphenyl)-4-(5-phenyl-2,4-pentadienoyl)sydnone","Acta Crystallographica Section E","2003","59","6","o894","o896","10.1107/S1600536803011309","","","0.71073","MoKα","","0.0603","0.0444","","","0.1091","0.1195","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201978","13.612","0.003","5.8536","0.0011","16.9","0.003","90","","112.63","0.01","90","","1242.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","(3, 3-dephenoxy-cyclohexyl)-phosphonic acid diphenyl ester","","- C30 H29 O5 P -","- C30 H29 O5 P -","- C60 H58 O10 P2 -","2","1","FL6013","Ilia A. Guzei; Robert Stockland Jr.; Trevor W. Tennis","Diphenyl (3,3-diphenoxycyclohexyl)phosphonate","Acta Crystallographica Section E","2003","59","2","o129","o131","10.1107/S160053680202370X","","","0.71073","MoKα","","0.0842","0.069","","","0.1604","0.1648","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202002","8.1368","0.0006","10.2645","0.0008","19.351","0.002","90","","92.088","0.001","90","","1615.1","0.2","148.2","","148.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O -","- C18 H22 Cl N O -","- C72 H88 Cl4 N4 O4 -","4","2","FL6038","Christopher M. Beaudry; Jenny Pehl; Karen M. Wovkulich","(9-Anthrylmethyl)trimethylammonium chloride monohydrate","Acta Crystallographica Section E","2003","59","6","o897","o898","10.1107/S1600536803011280","","","0.7107","MoKα","","0.0606","0.0439","","0.0565","0.0535","0.0535","","","","","","1.536","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202004","9.798","0.003","7.7742","0.0011","11.372","0.004","90","","94.36","0.02","90","","863.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,4β-Dihydroxy-5β-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C38 H60 O6 -","2","1","LH6020","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Sá e Melo, M. L.; Campos Neves, A. S.; Tavares da Silva, E. J.","3α,4β-Dihydroxy-5β-androstan-17-one","Acta Crystallographica Section E","2003","59","1","o21","o23","10.1107/S1600536802022055","","","1.5418","CuKα","","0.0354","0.0349","","","0.1073","0.1079","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202005","7.7955","0.0014","23.362","0.004","10.6973","0.0019","90","","102.297","0.003","90","","1903.5","0.6","170","2","170","2","","","","","","","","3","P 1 21 1","P 2yb","4","Agatholic Acid","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","2","LH6021","Bates, Robert B.; Cai, Sheng; Cantor, Ryan S.; Carducci, Michael D.; Irvine, Anthony K.; Jiorle, Beth V.; Nakkiew, Pichaya; Setzer, William N.; Trinh, Long N.","Agatholic acid","Acta Crystallographica Section E","2003","59","1","o97","o98","10.1107/S1600536802023164","","","0.71073","MoKα","","0.104","0.051","","","0.108","0.126","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202033","4.5268","0.0003","7.4711","0.0005","9.1856","0.0006","90","","100.631","0.002","90","","305.33","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Guanidinium dihydrogen phosphite","","- C H8 N3 O3 P -","- C H8 N3 O3 P -","- C2 H16 N6 O6 P2 -","2","1","LH6055","Harrison, William T. A.","Guanidinium dihydrogen phosphite","Acta Crystallographica Section E","2003","59","6","o769","o770","10.1107/S1600536803009644","","","0.71073","MoKα","","0.0323","0.029","","","0.0737","0.0756","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202060","7.3995","0.0005","24.4481","0.0018","14.2649","0.0008","90","","99.116","0.005","90","","2548","0.3","211","2","211","2","","","","","","","","3","P 1 21 1","P 2yb","4","per-(3-deoxy)-α-cyclomannin","cyclohexakis[(1\ρightarrow4)-3-deoxy-α-D-arabino-hexopyranosyl]","","- C40 H82 O31 -","- C40 H72 O31 -","- C80 H144 O62 -","2","1","NA6201","Lindner, Hans J.; Lichtenthaler, Frieder W.; Fujita, Kahee; Yang, Cheng; Yuan, De-Qi; Nogami, Yasuyoshi","Per(3-deoxy)-α-cyclomannin: an n-butanol hexahydrate inclusion complex","Acta Crystallographica Section E","2003","59","3","o387","o389","10.1107/S1600536803003763","","","0.71073","MoKα","","0.0657","0.0386","","","0.0717","0.0764","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202063","5.5167","0.0003","17.7388","0.0011","8.2217","0.0005","90","","94.139","0.003","90","","802.47","0.08","120","0.2","120","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(R)-Acetoxymethyl-5(S)-acetyl-2(S)-(benzotriazol-1-yl)-5,6-dihydro-2H-pyran","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","NA6204","Low, John Nicolson; Cobo, Justo; López, M. Dolores; Nogueras, Manuel; Sánchez, Adolfo","Benzotriazol-1-yl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enpyranoside","Acta Crystallographica Section E","2003","59","3","o334","o336","10.1107/S1600536803003362","","","0.71073","MoKα","","0.0839","0.0457","","","0.0828","0.0936","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202140","10.0632","0.0002","16.5301","0.0003","10.2627","0.0001","90","","101.991","0.001","90","","1669.91","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{2-[(2-aminoethylimino)(phenyl)methyl]pyridine-κ^3^N}nickel(II) diperchlorate","","- C30 H34 Cl2 N6 Ni O8 -","- C30 H34 Cl2 N6 Ni O8 -","- C60 H68 Cl4 N12 Ni2 O16 -","2","1","OB6246","Anwar Usman; Hoong-Kun Fun; Tapan K. Karmakar; Barindra K. Ghosh; Swapan K. Chandra","Bis{2-[(2-aminoethylimino)(phenyl)methyl]pyridine-κ^3^N}nickel(II) diperchlorate","Acta Crystallographica Section E","2003","59","6","m387","m389","10.1107/S1600536803010869","","","0.71073","MoKα","","0.0742","0.0677","","","0.1923","0.1992","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202141","6.227","0.005","9.817","0.008","8.292","0.005","90","","102.56","0.05","90","","494.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1'-deoxy-1'-hydroxymethyl-1,2'-O-isopropylidene-β-D-arabinofuranose","","- C9 H16 O5 -","- C9 H16 O5 -","- C18 H32 O10 -","2","1","OM6123","Bogdan Doboszewski; Alexander Y. Nazarenko","1'-Deoxy-1'-hydroxymethyl-1,2'-O-isopropylidene-β-D-arabinofuranose","Acta Crystallographica Section E","2003","59","2","o158","o160","10.1107/S1600536803000692","","","0.71073","MoKα","","0.049","0.0359","","","0.0752","0.0807","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202159","9.462","0.001","8.093","0.001","9.823","0.001","90","","105.38","0.01","90","","725.27","0.14","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(II)","","- C14 H14 Cl2 Cu N2 O -","- C14 H14 Cl2 Cu N2 O -","- C28 H28 Cl4 Cu2 N4 O2 -","2","1","SU6007","Lemoine, Pascale; Viossat, Bernard; Daran, Jean-Claude","Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(II)","Acta Crystallographica Section E","2003","59","1","m17","m19","10.1107/S1600536802022249","","","0.71073","MoKα","","0.0181","0.017","","","0.0455","0.0459","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202173","10.4041","0.0016","34.308","0.004","9.5158","0.0012","90","","93.338","0.011","90","","3390.8","0.8","248","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81 H87 N O10 -","- C81 H87 N O10 -","- C162 H174 N2 O20 -","2","1","SU6022","Ohba, Shigeru; Miyamoto, Hisakazu","(R,R)-({-})-trans-1,4-Dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol) N-allyl-N-propyl-3-oxo-1-cyclohexenecarboxamide (2/1 inclusion compound)","Acta Crystallographica Section E","2003","59","5","o646","o648","10.1107/S1600536803008080","","","1.5418","CuKα","","","0.0615","","","","0.1723","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202202","5.4193","0.0002","18.0847","0.0005","9.4713","0.0003","90","","95.7044","0.0011","90","","923.65","0.05","100","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-phenylsuccinic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","2","WN6135","Andreas Fischer; Veronica M. Profir","(S)-Phenylsuccinic acid","Acta Crystallographica Section E","2003","59","3","o319","o320","10.1107/S1600536803002836","","","0.71073","MoKα","","0.0363","0.0317","","","0.0714","0.074","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202235","10.3492","0.0013","9.979","0.0013","14.6493","0.0018","90","","96.382","0.002","90","","1503.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Singuaiol","1(5),6(7)-diepoxy-4-guaiol hemihydrate","","- C15 H25 O3.5 -","- C15 H25 O3.5 -","- C60 H100 O14 -","4","2","WW6076","Xiang-Quan Ma; Cheng-Zhu Liao; Jing-Yu Su; Long-Mei Zeng","1(5),6(7)-Diepoxy-4-guaiol hemihydrate","Acta Crystallographica Section E","2003","59","6","o889","o890","10.1107/S1600536803010961","","","0.71073","MoKα","","0.0458","0.0414","","","0.1279","0.1342","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202275","5.8977","0.0007","10.1767","0.0016","16.941","0.002","90","","94.394","0.01","90","","1013.8","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-Hydroxy-3-methylbutanoyl-L-alanyl-L-proline benzyl ester","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C40 H56 N4 O10 -","2","1","AC6056","Oku, Hiroyuki; Shichiri, Kazuaki; Yamada, Keiichi; Katakai, Ryoichi","A peptide sequence containing a hydroxy acid residue: (S)-2-hydroxy-3-methylbutanoyl-L-alanyl-L-proline benzyl ester (H‒L-Hmb‒L-Ala‒L-Pro‒OBzl)","Acta Crystallographica Section E","2003","59","9","o1413","o1415","10.1107/S1600536803018701","","","1.5418","CuKα","","","0.079","","","","0.067","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202276","8.521","0.001","5.1143","0.0006","12.401","0.002","90","","99.098","0.002","90","","533.62","0.12","120","0.2","120","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","bthr","L-β-threonine lactone analogue","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","AC6057","Mitsunobu Doi; Akiko Asano","4(R)-(N-Benzoylamino)-5(R)-methyltetrahydrofuran-2-one: an L-β-threonine analogue","Acta Crystallographica Section E","2003","59","10","o1486","o1487","10.1107/S1600536803019883","","","0.71073","MoKα","","0.0451","0.0434","","","0.1156","0.1175","","","","","","1.121","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202323","9.166","0.001","22.484","0.002","9.579","0.001","90","","118.21","0.01","90","","1739.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Diisopropyl(2-hydroxy-1-naphthyl)methylphosphonate","","","- C17 H23 O4 P -","- C17 H23 O4 P -","- C68 H92 O16 P4 -","4","2","BT6291","Zarychta, Bartosz; Zaleski, Jacek; Gawdzik, Barbara; Iwanek, Waldemar","Diisopropyl [(2-hydroxy-1-naphthyl)methyl]phosphonate","Acta Crystallographica Section E","2003","59","7","o1055","o1057","10.1107/S160053680301393X","","","0.71073","MoKα","","0.0605","0.0428","","","0.0783","0.0842","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202328","10.0904","0.0012","8.9428","0.0011","13.1503","0.0016","90","","95.531","0.003","90","","1181.1","0.2","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1'S,2R,3R)-3-(1'-tert-Butyldimethylsilyloxy-1'-phenylmethyl)- 2-(4''-methylphenylthio)-2-nitrooxirane","","- C22 H29 N O4 S Si -","- C22 H29 N O4 S Si -","- C44 H58 N2 O8 S2 Si2 -","2","1","BT6296","Clegg, William; .; Elsegood, Mark R. J.","(1'S,2R,3R)-3-(1'-tert-Butyldimethylsilyloxy-1'-phenylmethyl)-2-(4''-methylphenylthio)-2-nitrooxirane","Acta Crystallographica Section E","2003","59","7","o1070","o1072","10.1107/S1600536803014326","","","0.71073","MoKα","","0.0446","0.0362","","","0.0818","0.0849","","","","","","0.976","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202339","11.775","0.002","7.1711","0.0009","17.488","0.002","90","","93.914","0.002","90","","1473.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexaaquacadmium(II) di-{(S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1- methanesulfonate}","","- C20 H42 Cd O14 S2 -","- C20 H42 Cd O14 S2 -","- C40 H84 Cd2 O28 S4 -","2","1","BT6309","Zhou, Jin-Sen; Cai, Ji-Wen; Ng, Seik Weng","Hexaaquacadmium(II) di-(S)-camphor-10-sulfonate","Acta Crystallographica Section E","2003","59","8","o1185","o1186","10.1107/S1600536803015940","","","0.71073","MoKα","","0.054","0.044","","","0.109","0.116","","","","","","1.24","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202343","7.3351","0.0004","9.051","0.0005","7.4211","0.0005","90","","101.723","0.003","90","","482.41","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","5-Carboxymellein","","","- C11 H10 O5 -","- C11 H10 O5 -","- C22 H20 O10 -","2","1","","Wang, Jian-Feng; Fang, Mei-Juan; Zhao, Yu-Fen; Huang, Yao-Jian; Su, Wen-Jin; Ng, Seik Weng","8-Hydroxy-(S)-3-methyl-1-oxoisochromane-5-carboxylic acid (5-carboxymellein)","Acta Crystallographica, Section E: Structure Reports Online","2003","59","8","m1208","m1209","10.1107/s1600536803016313","","","","","","","","","","","","","","","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202345","10.9633","0.0007","7.189","0.0005","14.425","0.001","90","","99.088","0.001","90","","1122.64","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","5-Methoxycarbonylmellein","Methyl 8-hydroxy-(S)-3-methyl-1-oxo-isochromane-5-carboxylate","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","2","BT6315","Wang, Jian-Feng; Zhang, Yong-Jie; Huang, Yao-Jian; Su, Wen-Jin; Lu, Yang; Zhao, Yu-Fen; Ng, Seik Weng","Methyl 8-hydroxy-(S)-3-methyl-1-oxoisochromane-5-carboxylate (5-methoxycarbonylmellein)","Acta Crystallographica Section E","2003","59","8","o1233","o1234","10.1107/S1600536803016490","","","0.71073","MoKα","","0.067","0.051","","","0.115","0.123","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202358","10.023","0.017","15.92","0.03","12.123","0.015","90","","115.67","0.11","90","","1744","5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 5-oxo-4,5-dihydro-1,2,3,4-tetrazole-1,4-dicarboxylate","","- C5 H6 N4 O5 -","- C5 H6 N4 O5 -","- C40 H48 N32 O40 -","8","4","BT6328","Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan","Dimethyl 5-oxo-4,5-dihydro-1H-tetrazole-1,4-dicarboxylate","Acta Crystallographica Section E","2003","59","9","o1347","o1348","10.1107/S1600536803018282","","","0.71073","MoKα","","0.1468","0.0846","","","0.2086","0.2474","","","","","","1.004","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202365","9.968","0.0002","11.5077","0.0002","15.4906","0.0004","90","","103.712","0.001","90","","1726.26","0.06","150","1","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S,S)-N-(1-{6-[1-(Dimethylamino)ethyl]pyridin-2-yl}ethyl)-N,N- dimethylamine-κ^3^N]dibromozinc(II)","","- C13 H23 Br2 N3 Zn -","- C13 H23 Br2 N3 Zn -","- C52 H92 Br8 N12 Zn4 -","4","2","BT6335","Panosyan, Francis B.; Lough, Alan J.; Chin, Jik","[(S,S)-N-(1-{6-[1-(Dimethylamino)ethyl]pyridin-2-yl}ethyl)-N,N-dimethylamine-κ^3^N]dibromozinc(II)","Acta Crystallographica Section E","2003","59","9","m827","m829","10.1107/S1600536803018920","","","0.71073","MoKα","","0.0543","0.0511","","","0.127","0.131","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202393","9.751","0.0014","5.592","0.0009","15.355","0.0018","90","","90.934","0.01","90","","837.2","0.2","150","1","150","1","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 7-exo-acetoxy-4-phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carboxylate","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","1","BT6364","Jordan, Robert W.; Tam, William; Lough, Alan J.","Ethyl 7-exo-acetoxy-4-phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carboxylate","Acta Crystallographica Section E","2003","59","11","o1687","o1688","10.1107/S160053680302227X","","","0.71073","MoKα","","0.0804","0.0506","","","0.1245","0.1416","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202403","9.8457","0.0009","5.7677","0.0013","14.5035","0.0012","90","","95.178","0.007","90","","820.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-argininium bis(trifluoroacetate)","","- C10 H16 F6 N4 O6 -","- C10 H16 F6 N4 O6 -","- C20 H32 F12 N8 O12 -","2","1","BT6374","Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana","L-Argininium bis(trifluoroacetate)","Acta Crystallographica Section E","2003","59","12","o1912","o1914","10.1107/S1600536803025169","","","0.71073","MoKα","","0.0765","0.0444","","","0.115","0.1339","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202409","12.1419","0.0011","5.3779","0.0006","24.926","0.002","90","","98.435","0.01","90","","1610","0.3","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(3',4'-dimethoxyphenyl)propionic acid tert-butyl ester chloroform sesquisolvate","","- C31.5 H34.5 Cl4.5 N O6 -","- C30 H33 N O6 -","- C60 H66 N2 O12 -","2","1","BT6382","Clegg, William; Elsegood, Mark R. J.","tert-Butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3',4'-dimethoxyphenyl)propionate chloroform sesquisolvate","Acta Crystallographica Section E","2003","59","12","o1946","o1948","10.1107/S1600536803025819","","","1.54184","CuKα","","0.0604","0.0531","","","0.1382","0.1531","","","","","","1.138","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202418","7.3537","0.0008","5.5149","0.0008","19.29","0.002","90","","100.928","0.009","90","","768.12","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2',3'-Anhydro-5'-O-benzoyl-β-D-lyxofuranoyl)-5-fluorouracil","","- C16 H13 F N2 O6 -","- C16 H13 F N2 O6 -","- C32 H26 F2 N4 O12 -","2","1","CF6257","Wagner, Timothy R.; Gadikota, Rajendrakumar Reddy; Callam, Christopher S.; Lowary, Todd L.","1-(2',3'-Anhydro-5'-O-benzoyl-β-D-lyxofuransoyl)-5-fluorouracil","Acta Crystallographica Section E","2003","59","7","o1063","o1065","10.1107/S1600536803012352","","","0.71073","MoKα","","0.1066","0.0519","","","0.1146","0.1511","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202426","12.456","0.004","8.0362","0.0011","13.533","0.003","90","","112.86","0.02","90","","1248.2","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","CF6266","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","Redetermination and H-atom refinement of (S)-(+)-ibuprofen","Acta Crystallographica Section E","2003","59","9","o1357","o1358","10.1107/S160053680301451X","","","0.71069","MoKα","","0.079","0.0385","","","0.0915","0.105","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202443","9.7238","0.0003","5.6312","0.0002","16.2836","0.0005","90","","92.0137","0.0014","90","","891.08","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","isopropyl 6-amino-2,5-anhydro-3,6-dideoxy-6-N-(2,5-anhydro-6- azido-3,6-dideoxy-L-arabino-hexonyl)-L-arabino-hexonate","","- C15 H24 N4 O7 -","- C15 H24 N4 O7 -","- C30 H48 N8 O14 -","2","1","CF6285","Cooper, Richard I.; Edwards, Alison, A.; Fleet, George W. J.; Watkin, David J.","Isopropyl 6-amino-2,5-anhydro-3,6-dideoxy-6-N-(2,5-anhydro-6-azido-3,6-dideoxy-L-arabino-hexonyl)-L-arabino-hexonate","Acta Crystallographica Section E","2003","59","11","o1712","o1714","10.1107/S1600536803022451","","","0.71073","MoKα","","0.0542","0.0542","","0.1059","0.1059","0.1059","","","","","","0.9472","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202449","12.9463","0.0014","7.3819","0.001","16.8664","0.0017","90","","98.562","0.006","90","","1593.9","0.3","300","1","300","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H50 O6 -","- C33 H50 O6 -","- C66 H100 O12 -","2","1","CF6291","Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Bernès, Sylvain; Hernández-Linares, Guadalupe; Viñas Bravo, Omar","Solving the problem of the configuration of the double bond at C22 in (25S)-23-acetyl-5β-furost-22-ene-3β,26-diyl diacetate","Acta Crystallographica Section E","2003","59","11","o1817","o1819","10.1107/S1600536803023754","","","0.71073","MoKα","","0.0539","0.0451","","","0.1259","0.1327","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202491","9.91","0.001","6.914","0.001","16.578","0.002","90","","91.86","0.01","90","","1135.3","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-1-hexanaminium-2- [2-methyl-3-(trifluoromethyl)anilino]nicotinate","","- C21 H28 F3 N3 O7 -","- C21 H28 F3 N3 O7 -","- C42 H56 F6 N6 O14 -","2","1","CI6259","Xiao-Ji Cao; Yuan-Jiang Pan","The complex of flunixin and meglumine","Acta Crystallographica Section E","2003","59","10","o1471","o1473","10.1107/S1600536803019470","","","0.71073","MoKα","","0.0436","0.0334","","","0.0822","0.0847","","","","","","0.975","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202510","12.664","0.003","6.4003","0.0015","13.801","0.003","90","","97.015","0.005","90","","1110.2","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Pachysamine A","[17-(1-Dimethylamino-ethyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a] phenanthren-3-yl]-methyl-amine","","- C24 H44 N2 -","- C24 H44 N2 -","- C48 H88 N4 -","2","1","CI6279","M. Iqbal Choudhary; Kirshina Devkota; Shazia Anjum; Azhar Abdul Rahman; Hoong-Kun Fun; Atta-ur-Rahman","20-Dimethylamino-3α-methylamino-5α-pregnane","Acta Crystallographica Section E","2003","59","11","o1682","o1684","10.1107/S1600536803021810","","","0.71073","MoKα","","0.0688","0.058","","","0.1497","0.1587","","","","","","1.048","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202514","6.272","0.005","7.993","0.005","9.199","0.007","90","","108.645","0.009","90","","437","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Levetiracetam","(-)-(S)-α-ethyl-2-oxo-1-pyrrolidineacetamide (2S)-2-(2-Oxo-pyrrolidin-1-yl)butanamide","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C16 H28 N4 O4 -","2","1","CI6284","Song, Jian; Lou, Ke-Xia; Li, Xiao-Jun; Wu, Xiao-Ping; Feng, Rong-Xiu","2-(2-Oxopyrrolidin-1-yl)butyramide","Acta Crystallographica Section E","2003","59","11","o1772","o1773","10.1107/S1600536803022578","","","0.71073","MoKα","","0.0701","0.0448","","","0.1317","0.1442","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202517","13.41","0.003","6.7225","0.0013","13.946","0.003","90","","104.032","0.004","90","","1219.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclovirobuxine D","4,4,14-Trimethyl-3α,20-bis(methylamino)-9,19-cyclo-5α-pregnan-16-ol","","- C26 H46 N2 O -","- C26 H46 N2 O -","- C52 H92 N4 O2 -","2","1","CI6287","M. Iqbal Choudhary; Shamsher Ali; Shazia Anjum; Azhar Abdul Rahman; Hoong-Kun Fun; Atta-ur-Rahman","4,4,14-Trimethyl-3α,20-bis(methylamino)-9,19-cyclo-5α-pregnan-16-ol","Acta Crystallographica Section E","2003","59","11","o1751","o1753","10.1107/S1600536803022499","","","0.71073","MoKα","","0.08","0.0641","","","0.1771","0.1919","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202519","8.7281","0.0005","8.272","0.0004","16.9772","0.0009","90","","102.047","0.0009","90","","1198.74","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Dispiro[cyclopropane-1,1'(2'H)-cyclobuta[b]naphthalene-2',1''-cyclopropane] -3',8'-dione","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","2","CI6289","Xue-Mei Li; Lei Wang; Jian-Hua Xu; Shu-Sheng Zhang; Hoong-Kun Fun","Dispiro[cyclopropane-1,1'(2'H)-cyclobuta[b]naphthalene-2',1''-cyclopropane]-3',8'-dione","Acta Crystallographica Section E","2003","59","11","o1742","o1744","10.1107/S1600536803022992","","","0.71073","MoKα","","0.0424","0.036","","","0.0946","0.1004","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202527","12.5558","0.001","8.5131","0.0007","18.6076","0.0015","90","","104.834","0.001","90","","1922.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3α-feruloyltaraxerol dicholomethane","","- C41 H60 Cl2 O4 -","- C41 H60 Cl2 O4 -","- C82 H120 Cl4 O8 -","2","1","CI6298","Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Surat Laphookhieo; Chatchanok Karalai","Absolute configuration of 3α-feruloyltaraxerol dichloromethane solvate","Acta Crystallographica Section E","2003","59","12","o1864","o1866","10.1107/S1600536803024838","","","0.71073","MoKα","","0.0783","0.062","","","0.1416","0.1524","","","","","","1.112","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2202548","14.1354","0.0007","5.5364","0.0003","15.5323","0.0007","90","","116.354","0.001","90","","1089.21","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Triethanolammonium dihydrogenphosphate","","- C6 H18 N O7 P -","- C6 H17.187 N O7 P -","- C24 H68.748 N4 O28 P4 -","4","2","CV6195","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","Triethanolammonium dihydrogenphosphate","Acta Crystallographica Section E","2003","59","7","o907","o909","10.1107/S1600536803011188","","","0.71073","MoKα","","0.0511","0.0368","","","0.0799","0.0843","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202552","11.134","0.002","8.379","0.002","11.265","0.002","90","","115.39","0.03","90","","949.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(4,4-bipyridine)phthalatonickel(II) trihydrate","","- C18 H20 N2 Ni O8 -","- C18 H20 N2 Ni O8 -","- C36 H40 N4 Ni2 O16 -","2","1","CV6200","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Aqua(4,4-bipyridine)phthalatonickel(II) trihydrate","Acta Crystallographica Section E","2003","59","7","m507","m509","10.1107/S1600536803013448","","","0.71073","MoKα","","0.091","0.06","","","0.137","0.153","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202568","7.928","0.0007","5.5192","0.0005","12.794","0.0011","90","","104.803","0.002","90","","541.24","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H18 N O6 P -","- C6 H18 N O6 P -","- C12 H36 N2 O12 P2 -","2","1","CV6217","Harrison, William T. A.","Triethanolammonium dihydrogenphosphite","Acta Crystallographica Section E","2003","59","9","o1267","o1269","10.1107/S1600536803016982","","","0.71073","MoKα","","0.0592","0.0394","","","0.0807","0.0865","","","","","","0.938","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202600","5.14","0.001","15.575","0.003","16.05","0.003","90","","96.995","0.003","90","","1275.3","0.4","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,4S)-3-N-(Fluoren-9-ylmethoxycarbonyl)-4-methyl-2-nonyloxazolidin-5-one","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C56 H70 N2 O8 -","2","1","DN6073","Hughes, Andrew B.; Mackay, Maureen F.; Marianne Sleebs","(2R,4S)-3-N-(Fluoren-9-ylmethoxycarbonyl)-4-methyl-2-nonyloxazolidin-5-one","Acta Crystallographica Section E","2003","59","7","o1079","o1081","10.1107/S1600536803013485","","","0.71065","MoKα","","0.0694","0.0533","","","0.14","0.1508","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202645","14.863","0.003","18.069","0.004","8.351","0.003","90","","94.49","0.01","90","","2235.9","1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl2 O7 -","- C20 H28 Cl2 O7 -","- C80 H112 Cl8 O28 -","4","2","FL6057","Gainsford, Graeme J.; Tyler, Peter C.","tert-Butyl 6-O-benzyl-2,2-dichloro-2,5-dideoxy-4-O-methyl-α-D-ribo-oct-3-pyranulosonate","Acta Crystallographica Section E","2003","59","10","o1514","o1516","10.1107/S1600536803019640","","","0.71069","MoKα","","0.11","0.069","","","0.146","0.169","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202683","10.131","0.005","9.94","0.005","16.784","0.008","90","","97.33","0.03","90","","1676.4","1.4","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butoxycarbonyl-L-alanyl-L-proline methyl ester","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","2","LH6080","Oku, Hiroyuki; Yamada, Keiichi; Katakai, Ryoichi","cis- and trans-Conformers at the urethane linkage: tert-butoxycarbonyl-L-alanyl-L-proline methyl ester (Boc-L-Ala-L-Pro-OMe)","Acta Crystallographica Section E","2003","59","8","o1130","o1132","10.1107/S1600536803014831","","","1.54184","CuKα","","","0.089","","","","0.193","","","","","","1.759","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202727","12.7421","0.0002","7.1908","0.0001","12.9536","0.0003","90","","111.9","0.001","90","","1101.24","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","morphine 3-(1-naphthoate)","7,8-didehydro-4,5-epoxy-17-methylmorphinan-6-(naphthalene-1-carboxylate)","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","LH6134","Gathergood, Nicholas; Scammells, Peter J.; Fallon, Gary D.; 7,8-didehydro-4,5-epoxy-17-methylmorphinan-6-(naphthalene-1-carboxylate)","7,8-Didehydro-4,5-epoxy-17-methylmorphinan-6-yl naphthalene-1-carboxylate","Acta Crystallographica Section E","2003","59","12","o1918","o1919","10.1107/S1600536803025121","","","0.71073","MoKα","","0.0521","0.0356","","","0.075","0.0822","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202738","14.601","0.0005","16.963","0.0007","14.743","0.0007","90","","90.857","0.0014","90","","3651.1","0.3","150","1","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloro [κ^2^-P,N-(R,R)-(N-benzylidene)-1-amino-2- diphenylphosphinocyclohexane]triphenylphosphine ruthenium(II)","","- C43 H41 Cl2 N P2 Ru -","- C43 H41 Cl2 N P2 Ru -","- C172 H164 Cl8 N4 P8 Ru4 -","4","2","NA6240","Caiazzo, Aldo; Lough, Alan J.; Yudin, Andrei K.","[(R,R)-1-(N-Benzylideneamino)-2-(diphenylphosphino)cyclohexane-κ^2^N,P]dichloro(triphenylphosphine-κP)ruthenium(II)","Acta Crystallographica Section E","2003","59","7","m399","m401","10.1107/S1600536803011772","","","0.71073","MoKα","","0.0791","0.0514","","","0.1048","0.1183","","","","","","0.978","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2202752","3.7925","0.0014","13.916","0.005","12.141","0.004","90","","90.862","0.005","90","","640.7","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxymethylimidazolium picrate","","- C10 H9 N5 O8 -","- C10 H9 N5 O8 -","- C20 H18 N10 O16 -","2","1","NA6256","Miao Du; Xiao-Jun Zhao","Hydrogen-bonding in 4-(hydroxymethyl)imidazolium picrate","Acta Crystallographica Section E","2003","59","12","o1898","o1900","10.1107/S160053680302381X","","","0.71073","MoKα","","0.0437","0.0333","","","0.0845","0.1113","","","","","","1.152","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202762","9.8318","0.0016","6.066","0.003","18.493","0.002","90","","92.891","0.013","90","","1101.5","0.6","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-pinoresinol‒dioxane (1/1)","","- C24 H30 O8 -","- C24 H30 O8 -","- C48 H60 O16 -","2","1","NA6268","Stomberg, Rolf; Ibrahim, Wilson; Langer, Vratislav; Lundquist, Knut","(+)-Pinoresinol‒dioxane (1/1)","Acta Crystallographica Section E","2003","59","12","o1972","o1974","10.1107/S1600536803026114","","","0.71069","MoKα","","0.0601","0.0412","","","0.1107","0.1211","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202766","8.6593","0.0004","6.3233","0.0003","8.909","0.0004","90","","112.676","0.001","90","","450.11","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H14 As N O4 -","- C5 H14 As N O4 -","- C10 H28 As2 N2 O8 -","2","1","NG6000","Lee, Clare; Harrison, William T. A.","Piperidinium dihydrogenarsenate","Acta Crystallographica Section E","2003","59","11","m959","m960","10.1107/S1600536803021457","","","0.71073","MoKα","","0.0204","0.0176","","","0.0414","0.0419","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202792","5.9788","0.0004","7.579","0.001","22.044","0.001","90","","94.57","0.008","90","","995.71","0.15","294","2","294","2","","","","","","","","2","P 1 21 1","P 2yb","4","","1-(p-biphenyl)-4'-(2-napthyl)cubane","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","1","OB6273","Evans, Robin N.; Gilardi, Richard; Emrick, Todd","1-(p-Biphenyl)-4'-(2-naphthyl)cubane","Acta Crystallographica Section E","2003","59","9","o1283","o1285","10.1107/S1600536803017483","","","1.54178","CuKα","","0.105","0.0618","","","0.141","0.1676","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202831","10.347","0.002","9.3127","0.0019","13.16","0.003","90","","107.53","0.03","90","","1209.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diethyl (2'R,4R,4'R)-2-(4'-ethoxycarbonyl-2'-thiazolidinyl)-6-methyl-4-(2''-thienyl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C44 H56 N4 O12 S4 -","2","1","OB6318","Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan","Diethyl (2'R,4R,4'R)-2-(4'-ethoxycarbonyl-2'-thiazolidinyl)-6-methyl-4-(2''-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2003","59","12","o1964","o1966","10.1107/S1600536803025911","","","0.71073","MoKα","","0.1058","0.0443","","","0.0877","0.0958","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202851","12.4234","0.0018","7.5526","0.0011","13.628","0.002","90","","101.32","0.003","90","","1253.8","0.3","170","2","170","2","","","","","","","","3","P 1 21 1","P 2yb","4","fern-7en-3a-ol","","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","OM6160","Khera, S.; Jolad, S. D.; Carducci, M. D.; Timmermann, B. N.","({-})-Fern-7-en-3α-ol from Sebastiania brasiliensis","Acta Crystallographica Section E","2003","59","9","o1403","o1404","10.1107/S1600536803018233","","","0.71073","MoKα","","0.051","0.0439","","","0.0997","0.103","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202873","3.7798","0.001","11.368","0.004","12.089","0.004","90","","94.54","0.03","90","","517.8","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4'-dicyanobiphenyl","","- C14 H8 N2 -","- C14 H8 N2 -","- C28 H16 N4 -","2","1","OM6185","Britton, Doyle; Young Jr, Victor G.","4,4'-Dicyanobiphenyl","Acta Crystallographica Section E","2003","59","11","o1849","o1851","10.1107/S1600536803023274","","","0.71073","MoKα","","0.062","0.052","","","0.112","0.1162","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202964","9.6306","0.0006","15.3825","0.0008","10.8903","0.0006","90","","107.456","0.002","90","","1539.02","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-2-{[(R)-(+)-1-Phenylethylamino]carbonyl}cyclohexanecarboxylic acid","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","2","WN6184","Kazuyuki Takahashi; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","A 1:1 diastereoisomeric complex of trans-2-{[(R)-(+)-1-phenylethylamino]carbonyl}cyclohexanecarboxylic acid","Acta Crystallographica Section E","2003","59","12","o1953","o1955","10.1107/S160053680302573X","","","0.71069","MoKα","","0.0483","0.0399","","","0.0998","0.1031","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202974","10.533","0.0018","5.145","0.003","13.607","0.003","90","","106.018","0.015","90","","708.8","0.5","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","8-Methoxy-4-(4-methoxyphenyl)isochroman-3-ol","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","WN6195","Palusiak, Marcin; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","8-Methoxy-4-(4-methoxyphenyl)isochroman-3-ol","Acta Crystallographica Section E","2003","59","12","o2000","o2002","10.1107/S1600536803026102","","","1.54178","CuKα","","","0.069","","","","0.185","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203047","7.7363","0.0007","9.526","0.0008","11.8422","0.001","90","","96.134","0.002","90","","867.73","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Teuscordin","15-hydroxy-15,16-epoxy-6α-neo-cleroda-3,13(16),14-triene-18,19:20,12-diolide","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","1","CF6307","S. Soundarya Devi; R. Malathi; S. S. Rajan; S. Aravind; G. N. Krishnakumari; K. Ravikumar","A neo-clerodane diterpene from Teucrium tomentosum","Acta Crystallographica Section E","2004","60","1","o117","o119","10.1107/S1600536803028745","","","0.71073","MoKα","","0.0453","0.0414","","","0.1079","0.1113","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203084","7.836","0.003","7.8011","0.0014","17.923","0.007","90","","95.48","0.03","90","","1090.6","0.6","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-pinoresinol‒dioxane (1/1)","","- C24 H30 O8 -","- C24 H30 O8 -","- C48 H60 O16 -","2","1","NA6275","Stomberg, Rolf; Langer, Vratislav; Lundquist, Knut","A second polymorph of (+)-pinoresinol‒dioxane (1/1)","Acta Crystallographica Section E","2004","60","1","o81","o83","10.1107/S1600536803027806","","","0.71069","MoKα","","0.0741","0.0426","","","0.1254","0.1772","","","","","","1.169","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203091","8.8608","0.0005","10.9102","0.0004","12.2876","0.0005","90","","106.018","0.002","90","","1141.76","0.09","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 I2 N2 O -","- C21 H28 I2 N2 O -","- C42 H56 I4 N4 O2 -","2","1","OB6320","Naokazu Yoshikawa; Keiko Takemoto; Jun Sakamoto; Nobuko Kanehisa; Yasushi Kai; Hiroshi Takashima; Keiichi Tsukahara","(11S)-(+)-N,N'-Dimethylcinchoninium diiodide","Acta Crystallographica Section E","2004","60","1","o17","o18","10.1107/S1600536803027181","","","0.7107","MoKα","","","0.0493","","","","0.107","","","","","","1.483","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203106","9.8828","0.0019","5.8836","0.0017","12.5231","0.0012","90","","95.684","0.01","90","","724.6","0.3","296","","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","9-(p-Methylphenyl)fluorene","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","OM6200","McLean, Aaron W.; Meyers, Cal Y.; Robinson, Paul D.","9-(p-Methylphenyl)fluorene","Acta Crystallographica Section E","2004","60","1","o75","o76","10.1107/S1600536803028095","","","0.71069","MoKα","","0.097","0.038","","","0.096","0.117","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203126","6.066","0.003","11.076","0.006","7.797","0.003","90","","91.56","0.04","90","","523.7","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-(tert-Butylamino)-5-oxopentanoic acid","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C18 H34 N2 O6 -","2","1","WN6196","Takahashi, Kazuyuki; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","5-(tert-Butylamino)-5-oxopentanoic acid","Acta Crystallographica Section E","2004","60","1","o19","o21","10.1107/S1600536803026965","","","0.71069","MoKα","","0.038","0.034","","","0.086","0.088","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203154","9.2962","0.0002","8.2755","0.0002","11.4267","0.0003","90","","91.083","0.0011","90","","878.91","0.04","150","2","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S,5R)-(-)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","CF6304","Duffy, Marina; Gallagher, John F.; Lough, Alan J.","C—H···O and C—H···π(arene) interactions in (2S,4S,5R)-(‒)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","Acta Crystallographica Section E","2004","60","2","o234","o236","10.1107/S1600536803028733","","","0.71073","MoKα","","0.035","0.031","","","0.076","0.079","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203158","7.59","0.004","10.532","0.006","8.101","0.004","90","","100.248","0.009","90","","637.2","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","CF6323","Adams, Harry; Allen, Ray W. K.; Chin, Jitkai; O'Sullivan, Brian; Styring, Peter; Sutton, Liam R.","4'-(Dimethylamino)-4-nitroazobenzene","Acta Crystallographica Section E","2004","60","2","o289","o290","10.1107/S160053680400159X","","","0.71073","MoKα","","0.0823","0.0709","","","0.191","0.2035","","","","","","1.209","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203172","8.8812","0.0003","5.8066","0.0002","11.528","0.0005","90","","111.583","0.001","90","","552.81","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl phenylsulfonylacetate","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C20 H24 O8 S2 -","2","1","CI6334","Ding, Jin-Chang; Su, Wei-Ke; Wu, Hua-Yue; Liu, Miao-Chang; Ng, Seik Weng","Ethyl phenylsulfonylacetate","Acta Crystallographica Section E","2004","60","2","o310","o311","10.1107/S1600536804001680","","","0.71073","MoKα","","0.039","0.038","","","0.097","0.098","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203179","8.437","0.002","6.853","0.001","16.011","0.003","90","","94.88","0.02","90","","922.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Cyclohexylmethoxymethyl-5-[2-hydroxy-1-(hydroxymethyl)ethylamino]cyclohexane- 1,2,3,4-tetraol","","- C17 H33 N O7 -","- C17 H33 N O7 -","- C34 H66 N2 O14 -","2","1","DN6110","Zhang Hong; Kui-Wu Wang; Yuan Jiang Pan","1-Cyclohexylmethoxymethyl-5-[2-hydroxy-1-(hydroxymethyl)ethylamino]cyclohexane-1,2,3,4-tetraol","Acta Crystallographica Section E","2004","60","2","o299","o300","10.1107/S1600536804001564","","","0.71073","MoKα","","0.0446","0.0357","","","0.0847","0.0875","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203227","10.5196","0.0004","6.4129","0.0003","11.7201","0.0007","90","","114.107","0.002","90","","721.69","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","SU6068","Mughal, Robila K.; Pritchard, Robin G.; Davey, Roger J.","(2S)-[(2S)-2-Hydroxy-2-phenylethanoyloxy]phenylacetic acid","Acta Crystallographica Section E","2004","60","2","o232","o233","10.1107/S1600536804000741","","","0.71073","MoKα","","0.0588","0.0403","","","0.0893","0.0976","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203259","7.218","0.003","9.254","0.003","8.864","0.003","90","","99.377","0.005","90","","584.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","cesium lanthanum tetrametaphosphate","","","- Cs La O12 P4 -","- Cs La O12 P4 -","- Cs2 La2 O24 P8 -","2","1","","Sun, Tongqing; Shen, Guangqiu; Wang, Xiaoqing; Wang, Ruji; Wei, Jingzhi; Shen, Dezhong","CsLa(PO~3~)~4~","Acta Crystallographica, Section E","2004","60","3","i28","i30","10.1107/S160053680400131X","","","0.71073","MoKα","","0.0232","0.0216","","","0.0485","0.049","","","","","","1.022","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203301","6.443","0.001","13.032","0.003","9.987","0.002","90","","106.85","0.02","90","","802.6","0.3","293","","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-Bis(2-amino-1,3-benzothiazole-κN^3^)dichlorocopper(II)","","- C14 H12 Cl2 Cu N4 S2 -","- C14 H12 Cl2 Cu N4 S2 -","- C28 H24 Cl4 Cu2 N8 S4 -","2","1","HB6018","Maniukiewicz, Waldemar","trans-Bis(2-amino-1,3-benzothiazole-κN^3^)dichlorocopper(II)","Acta Crystallographica Section E","2004","60","3","m340","m341","10.1107/S1600536804003885","","","0.71073","MoKα","","0.0501","0.0375","","","0.0819","0.0872","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203321","13.23","0.01","9.191","0.007","18.3","0.02","90","","110.63","0.08","90","","2083","3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-1-[(2S)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]- 1H-imidazole mononitrate","","- C18 H15 Cl4 N3 O4 -","- C18 H15 Cl4 N3 O4 -","- C72 H60 Cl16 N12 O16 -","4","2","NA6291","Oswald M. Peeters; Norbert M. Blaton; Christine Aeschlimann; Joseph Gal","(+)-1-{(2S)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazole mononitrate [(+)-(S)-miconazole nitrate]","Acta Crystallographica Section E","2004","60","3","o365","o366","10.1107/S1600536804003058","","","0.71073","MoKα","","0.0759","0.0422","","0.1011","","0.1011","","","1.032","","","1.032","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203330","8.8268","0.0014","5.9191","0.0006","12.167","0.0019","90","","90.277","0.013","90","","635.68","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1H)-one","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","OB6347","Özek, Arzu; Yüce, Süheyla; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1H)-one","Acta Crystallographica Section E","2004","60","3","o356","o358","10.1107/S1600536804002971","","","0.71073","MoKα","","0.0523","0.0339","","","0.0676","0.0709","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203336","15.3738","0.0008","7.2254","0.0002","15.9661","0.0009","90","","106.578","0.002","90","","1699.82","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4α)-Kaur-16-en-18-carbonyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside","","- C34 H48 O11 -","- C34 H48 O11 -","- C68 H96 O22 -","2","1","OM6204","Asiloé J. Mora; Gerzon E. Delgado; Gavin B. M. Vaughan; Patrick Martin; Tomás Visbal; Alfredo Usubillaga","A peracetylated glucosyl ester of kaurenic acid","Acta Crystallographica Section E","2004","60","3","o334","o336","10.1107/S1600536804002181","","","0.53378","Synchrotron","","0.048","0.0462","","","0.1239","0.1252","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203386","9.244","0.003","12.115","0.003","14.2116","0.0019","90","","95.78","0.02","90","","1583.5","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-3-phenylpropaneamide","2-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-3-phenylpropaneamide","","- C15 H27 N2 O4.5 -","- C15 H17 N2 O4.5 -","- C60 H68 N8 O18 -","4","2","CF6327","Kolev, Tsonko; Petrova, Rosica; Spiteller, Michael","(R)-2-[(2-Ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-3-phenylpropanamide hemihydrate","Acta Crystallographica Section E","2004","60","4","o634","o636","10.1107/S1600536804006361","","","0.71073","MoKα","","0.106","0.0416","","","0.1033","0.1336","","","","","","0.888","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203396","7.295","0.002","13.117","0.003","8.793","0.002","90","","92.228","0.005","90","","840.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","vinamidinium salt derivative","1-Dimethylamino-3-dimethyliminio-2-(p-methoxyphenyl)prop-1-ene perchlorate","","- C14 H21 Cl N2 O5 -","- C14 H21 Cl N2 O5 -","- C28 H42 Cl2 N4 O10 -","2","1","CI6331","Girija, C. R.; Noor Shahina Begum","1-Dimethylamino-3-dimethyliminio-2-(p-methoxyphenyl)prop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o535","o536","10.1107/S1600536804004593","","","0.71073","MoKa","","0.0522","0.0431","","","0.1073","0.1126","","","","","","1.075","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203420","9.1356","0.0016","15.359","0.003","15.082","0.003","90","","92.652","0.004","90","","2113.9","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Rotenone‒acetic acid (2/1)","","- C48 H48 O14 -","- C48 H48 O14 -","- C96 H96 O28 -","2","1","DN6123","Yang, Shi-Ping; Chen, Hong-Mei; Znang, Fan; Chen, Qiong Qiong; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong","Rotenone‒acetic acid (2/1)","Acta Crystallographica Section E","2004","60","4","o532","o534","10.1107/S1600536804004817","","","0.71073","MoKα","","0.0993","0.06","","","0.1289","0.1462","","","","","","0.953","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203426","9.8292","0.0007","16.631","0.001","11.5822","0.0008","90","","109.52","0.01","90","","1784.5","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6- diisopropylphenyl)imino]pent-2-enato-κ^2^N,N'}(tetrahydrofuran- κO)magnesium(II)","","- C38 H58 Mg N2 O -","- C38 H58 Mg N2 O -","- C76 H116 Mg2 N4 O2 -","2","1","FL6073","Katherine H. D. Ballem; Kevin M. Smith; Brian O. Patrick","Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-enato-κ^2^N,N'}(tetrahydrofuran-κO)magnesium(II)","Acta Crystallographica Section E","2004","60","4","m408","m409","10.1107/S1600536804005148","","","0.71073","MoKα","","0.0674","0.0508","","","0.1159","0.1218","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203444","9.969","0.003","5.9346","0.0016","20.823","0.006","90","","102.025","0.005","90","","1204.9","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","anhydrous sodium naproxen","Sodium (S)-(+)-6-methoxy-α-methyl-2-naphthaleneacetate","","- C14 H13 Na O3 -","- C14 H13 Na O3 -","- C56 H52 Na4 O12 -","4","2","HG6023","Kim, Young-soo; VanDerveer, Don; Rousseau, Ronald W.; Wilkinson, Angus P.","Anhydrous sodium naproxen","Acta Crystallographica Section E","2004","60","4","m419","m420","10.1107/S1600536804005318","","","0.71073","MoKα","","0.0613","0.0495","","","0.1249","0.1306","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203456","7.902","0.007","7.004","0.005","13.736","0.012","90","","102.38","0.08","90","","742.5","1.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C36 H34 N6 O2 -","2","1","LH6179","Oloo, Eliud O.; Nienaber, Kurt; Quail, J. Wilson; Padmanilayam, Maniyan P.; Das, Umashankar; Dimmock, Jonathan R.","cis-3-Phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide","Acta Crystallographica Section E","2004","60","4","o610","o612","10.1107/S1600536804005963","","","0.71073","MoKα","","0.0418","0.0312","","","0.0769","0.0816","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203508","11.497","0.003","5.538","0.001","11.603","0.003","90","","117.792","0.005","90","","653.5","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Benzyl 4-C-nitrosomethyl β-D-arabinopyranoside","(2R,3S,4S,5R)-2-(Benzyloxy)-5-(nitromethyl)tetrahydro-2H-pyran-3,4,5-triol","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C26 H34 N2 O14 -","2","1","WK6016","Jens Andersch; Mikael Bols; Alan Hazell","Benzyl 4-C-nitrosomethyl-β-D-arabinopyranoside","Acta Crystallographica Section E","2004","60","4","o660","o661","10.1107/S1600536804006488","","","0.71073","MoKα","","","0.058","","","","0.052","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203540","6.5304","0.0004","6.9483","0.0003","10.9214","0.0006","90","","101.934","0.002","90","","484.85","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzyluracil","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C22 H20 N4 O4 -","2","1","BT6427","Jin-Chang Ding; Miao-Chang Liu; Hua-Yue Wu; Mao-Lin Hu; Hong-Ping Xiao","1-Benzyluracil","Acta Crystallographica Section E","2004","60","5","o837","o838","10.1107/S1600536804009146","","","0.71073","MoKα","","0.0555","0.0542","","","0.1252","0.1257","","","","","","1.266","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203556","7.646","0.001","28.05","0.006","7.67","0.001","90","","118.65","0.01","90","","1443.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dibromophakellin methanol hemisolvate","","- C11.5 H13 Br2 N5 O1.5 -","- C11.495 H12.98 Br2 N5 O1.495 -","- C45.98 H51.92 Br8 N20 O5.98 -","4","2","CF6316","Shi Hai Xu; Xiao Jian Liao; Xiang Chao Zeng; Kai Yang","Dibromophakellin methanol hemisolvate","Acta Crystallographica Section E","2004","60","5","o782","o783","10.1107/S1600536804006622","","","0.71073","MoKα","","0.0804","0.0367","","","0.0624","0.0669","","","","","","0.804","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203630","14.9014","0.0012","12.0241","0.001","17.2103","0.0014","90","","91.288","0.002","90","","3082.9","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R)-1,3-Bis(tert-butyldimethylsilyloxy)-2-(4-hydroxybutanamido)- 1-(4-nitrophenyl)propane","","- C25 H46 N2 O6 Si2 -","- C25 H46 N2 O6 Si2 -","- C100 H184 N8 O24 Si8 -","4","2","LH6210","Johansson, Dorte; Larsen, Frank B.; Bond, Andrew D.; Nielsen, Poul","(1R,2R)-1,3-Bis(tert-butyldimethylsilyloxy)-2-(4-hydroxybutanamido)-1-(4-nitrophenyl)propane","Acta Crystallographica Section E","2004","60","5","o907","o908","10.1107/S1600536804009870","","","0.7107","MoKα","","0.1012","0.0564","","","0.1284","0.148","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203634","8.2135","0.0003","9.2262","0.0003","10.9944","0.0003","90","","108.041","0.0015","90","","792.19","0.04","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 3,6-anhydro-4-azido-5,7-O-(S)-benzylidene-2,4-dideoxy-D-talo-heptonate","","- C15 H17 N3 O5 -","- C15 H17 N3 O5 -","- C30 H34 N6 O10 -","2","1","NA6311","Newton, Christoper R.; Horne, Graeme; Fleet, George W.J.; Nash, Robert J.; Cooper, Richard I.","Methyl 3,6-anhydro-4-azido-5,7-O-(S)-benzylidene-2,4-dideoxy-D-talo-heptonate","Acta Crystallographica Section E","2004","60","5","o839","o840","10.1107/S1600536804008165","","","0.71073","MoKα","","0.0495","0.0353","","0.0919","0.0848","0.0919","","","","","","0.8876","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203655","10.022","0.005","7.373","0.005","19.156","0.005","90","","91.556","0.005","90","","1415","1.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","ergosterol peroxide","5α,8α-epidioxyergosta-6,22-dien-3β-ol methanol solvate","","- C29 H48 O4 -","- C29 H48 O4 -","- C58 H96 O8 -","2","1","RN6014","Wang, Jian-Feng; Huang, Yao-Jian; Fang, Mei-Juan; Xie, Wen-Ling; Su, Wen-Jin; Zhao, Yu-Fen","5α,8α-Epidioxyergosta-6,22-dien-3β-ol (ergosterol peroxide) methanol solvate","Acta Crystallographica Section E","2004","60","5","o764","o765","10.1107/S160053680400813X","","","0.71073","MoKα","","0.1318","0.0685","","","0.1409","0.1698","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203675","10.365","0.006","8.827","0.005","11.001","0.006","90","","104.93","0.02","90","","972.5","1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butoxycarbonyl-L-alanyl-L-lactic acid benzyl ester","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C36 H50 N2 O12 -","2","1","WN6233","Oku, Hiroyuki; Suda, Tomohiro; Yamada, Keiichi; Katakai, Ryoichi","A short depsipeptide: tert-butoxycarbonyl-L-alanyl-L-lactic acid benzyl ester (Boc-L-Ala-L-Lac-OBzl)","Acta Crystallographica Section E","2004","60","5","o720","o721","10.1107/S1600536804007299","","","1.5418","CuKα","","","0.07","","","","0.182","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203721","5.9465","0.0001","17.7167","0.0003","11.8918","0.0002","90","","90.037","0.001","90","","1252.83","0.04","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,5aR,10aS,11aR)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro- 5aH-1,3-dioxolo[4,5:3',4']furo[2',3'-f]indolizin-8(4H)-one","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","2","CF6347","Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan; Bobošíková, Maria","(3aS,5aR,10aS,11aR)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro-5aH-1,3-dioxolo[4,5:3',4']furo[2',3'-f]indolizin-8(4H)-one","Acta Crystallographica Section E","2004","60","6","o1069","o1071","10.1107/S1600536804012139","","","0.71073","MoKα","","0.0431","0.0354","","","0.0784","0.0822","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203802","9.968","0.001","18.381","0.002","10.215","0.001","90","","108.883","0.006","90","","1770.9","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-Bis[(cyclopentyldiphenylstannyl)sulfanyl]-1,3,4-thiadiazole","","- C36 H38 N2 S3 Sn2 -","- C36 H38 N2 S3 Sn2 -","- C72 H76 N4 S6 Sn4 -","2","1","SU6096","Lo, Kong Mun; Ng, Seik Weng","2,5-Bis[(cyclopentyldiphenylstannyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2004","60","6","m715","m716","10.1107/S1600536804010190","","","0.71073","MoKα","","0.042","0.031","","","0.066","0.071","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203817","4.866","0.002","22.435","0.009","6.04","0.002","90","","90.664","0.007","90","","659.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","isopropylglucoheptonamide","N-isopropyl-D-glycero-D-gulo-heptonamide","","- C10 H21 N O7 -","- C10 H21 N O7 -","- C20 H42 N2 O14 -","2","1","TK6166","Metta-Magaña, Alejandro J.; Tlahuext, Hugo; Reyes-Martínez, Reyna","N-Isopropyl-α-glucoheptonamide","Acta Crystallographica Section E","2004","60","6","o1046","o1048","10.1107/S1600536804011821","","","0.71073","MoKα","","0.048","0.044","","","0.11","0.113","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203826","6.0743","0.0013","7.2436","0.0016","15.916","0.003","90","","95.334","0.004","90","","697.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-3-hydroxy-1-(4-methoxybenzyl)piperidine-2-carboxamide","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C28 H40 N4 O6 -","2","1","WN6244","Feng, Chen-Guo; Fang, Hua; Huang, Pei-Qiang","(2S,3S)-3-Hydroxy-1-(4-methoxybenzyl)piperidine-2-carboxamide","Acta Crystallographica Section E","2004","60","6","o1075","o1077","10.1107/S1600536804012085","","","0.71073","MoKα","","0.0445","0.0443","","","0.1238","0.124","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203832","8.826","0.002","10.951","0.002","11.043","0.002","90","","101.57","0.02","90","","1045.7","0.4","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyloxycarbonyl-L-Alanyl-L-Leucyl-L-Lactic Acid","","- C17 H30 N2 O7 -","- C17 H30 N2 O7 -","- C34 H60 N4 O14 -","2","1","WW6184","Oku, Hiroyuki; Yamada, Keiichi; Katakai, Ryoichi","An N-protected depsipeptide free acid prepared by direct synthesis without using a terminal-C protecting group: tert-butoxycarbonyl-L-alanyl-L-leucyl-L-lactic acid (Boc-L-Ala-L-Leu-L-Lac-OH)","Acta Crystallographica Section E","2004","60","6","o927","o929","10.1107/S1600536804010189","","","1.5418","CuKα","","","0.068","","","","0.156","","","","","","1.255","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203859","5.459","0.003","8.011","0.003","17.205","0.005","90","","96","0.03","90","","748.3","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C32 H30 N2 O10 -","2","1","BT6472","Anand, Naveen; Koul, Surrinder; Taneja, Subhash C.; Qazi, Ghulam N.; Spiteller, Michael; Sheldrick, William S.; van Almsick, Tobias","(3R,4S)-cis-3-Acetoxy-1-(4-methoxyphenyl)-4-(2-furanyl)azetidin-2-one","Acta Crystallographica Section E","2004","60","7","o1215","o1216","10.1107/S1600536804014540","","","0.71073","MoKα","","0.0446","0.0369","","","0.1001","0.1046","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203865","10.9448","0.0002","15.1406","0.0002","15.6896","0.0003","90","","99.1231","0.0009","90","","2567.05","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-allyl ergoline-8β-carboxamide","","- C26 H37 N5 O2 -","- C26 H37 N5 O2 -","- C104 H148 N20 O8 -","4","2","CF6348","Bednář, Roman; Cvak, Ladislav; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr","Cabergoline, form VII","Acta Crystallographica Section E","2004","60","7","o1167","o1169","10.1107/S1600536804013777","","","0.71073","MoKα","","0.0461","0.0374","","0.0503","0.044","0.044","","","","","","1.1277","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203902","10.8736","0.0002","10.0773","0.0002","11.7098","0.0003","90","","116.942","0.0009","90","","1143.86","0.04","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H21 Cl Cu N2 O P -","- C25 H21 Cl Cu N2 O P -","- C50 H42 Cl2 Cu2 N4 O2 P2 -","2","1","HB6058","Qian-Yong Cao; Wen-Fu Fu","Chloro[(hydroxymethyl)diphenylphosphine-κP](1,10-phenanthroline-κ^2^N,N')copper(I)","Acta Crystallographica Section E","2004","60","7","m987","m989","10.1107/S1600536804014771","","","0.71073","MoKα","","0.0472","0.0313","","","0.0675","0.0723","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203903","10.9714","0.0009","7.7711","0.0008","14.3786","0.0011","90","","101.464","0.004","90","","1201.46","0.18","298","1","298","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-1α,2α-epoxy-3α-hydroxy-5α-spirostan-6-one","","- C27 H40 O5 -","- C27 H40 O5 -","- C54 H80 O10 -","2","1","HG6053","Castro-Méndez, Albina; Bernès, Sylvain; Sandoval-Ramírez, Jesús","(25R)-1α,2α-Epoxy-3α-hydroxy-5α-spirostan-6-one","Acta Crystallographica Section E","2004","60","7","o1133","o1134","10.1107/S1600536804013467","","","0.71073","MoKα","","0.0678","0.0422","","","0.0947","0.1142","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203943","6.3949","0.0007","8.7222","0.0007","11.0868","0.0012","90","","92.345","0.009","90","","617.88","0.11","293","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-Morpholinoethhyl)benzimidazole","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C26 H34 N6 O2 -","2","1","SU6107","Mehmet Akkurt; Sema Öztürk; Nihat Şireci; Hasan Küçükbay; Orhan Büyükgüngör","1-(2-Morpholinoethyl)-1H-benzimidazole","Acta Crystallographica Section E","2004","60","7","o1185","o1187","10.1107/S1600536804012930","","","0.71073","MoKα","","0.0442","0.0308","","","0.0715","0.0746","","","","","","0.886","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203952","6.996","0.003","19.569","0.004","16.659","0.002","90","","97.328","0.019","90","","2262.1","1.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H46 Co2 Mo N10 O17 -","- C40 H46 Co2 Mo N10 O17 -","- C80 H92 Co4 Mo2 N20 O34 -","2","1","SU6119","Gustavo Liendo; Alexander Briceño; Teresa González; Reinaldo Atencio","Bis[bis(2,2'-bipyridine-κ^2^N,N')(nitrato-κ^2^O,O')cobalt(II)] molybdate heptahydrate","Acta Crystallographica Section E","2004","60","7","m1028","m1031","10.1107/S1600536804015417","","","0.71073","MoKα","","0.0494","0.0379","","","0.0848","0.091","","","","","","1.035","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2204006","10.329","0.0011","10.4271","0.0011","10.7795","0.0011","90","","103.115","0.012","90","","1130.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Threoninium trichloroacetate","L-Threoninium trichloroacetate","","- C6 H10 Cl3 N O5 -","- C6 H10 Cl3 N O5 -","- C24 H40 Cl12 N4 O20 -","4","2","CV6333","Rajagopal, K.; Franklin, R. Dinesh; Krishnakumar, R. V.; Ravikumar, K.; Natarajan, S.","DL-Threoninium trichloroacetate","Acta Crystallographica, Section E","2004","60","8","o1354","o1356","10.1107/S1600536804016630","","","0.71073","MoKα","","0.0342","0.0328","","","0.0836","0.0848","","","","","","1.052","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204034","11.5","0.02","7.35","0.01","14.3","0.02","90","","92.42","0.02","90","","1208","3","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O10 S -","- C22 H24 N2 O10 S -","- C44 H48 N4 O20 S2 -","2","1","HG6044","Zao-Zao Qiu; Peng-Fei Xu","5-Phenyl-1,3,4-dioxazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-D-glucopyranoside","Acta Crystallographica, Section E","2004","60","8","o1364","o1365","10.1107/S1600536804014734","","","0.7107","MoKα","","","0.0355","","","","0.0458","","","","","","1.064","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204087","5.638","0.002","8.394","0.002","9.897","0.002","90","","90.61","0.03","90","","468.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(2-amino-3-hydroxypropionato)nickel(II)]-μ-2-amino-3- hydroxypropionato]","","- C6 H12 N2 Ni O6 -","- C6 H12 N2 Ni O6 -","- C12 H24 N4 Ni2 O12 -","2","1","SU6126","Sun, Yu-Xi; You, Zhong-Lu","catena-Poly[[(2-amino-3-hydroxypropionato)nickel(II)]-μ-2-amino-3-hydroxypropionato]","Acta Crystallographica Section E","2004","60","8","m1199","m1201","10.1107/S1600536804018422","","","0.71073","MoKα","","0.0398","0.0366","","","0.0651","0.0666","","","","","","0.961","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204088","13.439","0.003","4.878","0.003","15.483","0.003","90","","97.05","0.03","90","","1007.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Ammonio-3-phenylpropanoic acid‒monohydrogen sulfate‒2-ammonio-3-phenylpropanoate (1/1/1)","","- C18 H24 N2 O8 S -","- C18 H24 N2 O8 S -","- C36 H48 N4 O16 S2 -","2","1","SU6127","Sun, Yu-Xi; You, Zhong-Lu","2-Ammonio-3-phenylpropanoic acid‒monohydrogen sulfate‒2-ammonio-3-phenylpropanoate (1/1/1)","Acta Crystallographica Section E","2004","60","8","o1447","o1448","10.1107/S1600536804018434","","","0.71073","MoKα","","0.1221","0.0745","","","0.1392","0.1627","","","","","","0.948","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204138","9.9714","0.0013","6.293","0.0005","12.648","0.0009","90","","110.5","0.01","90","","743.4","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-valinium picrate","L-valinium picrate","","- C11 H14 N4 O9 -","- C11 H14 N4 O9 -","- C22 H28 N8 O18 -","2","1","CI6414","K. Anitha; B. Sridhar; R. K. Rajaram","L-Valinium picrate","Acta Crystallographica Section E","2004","60","9","o1530","o1532","10.1107/S160053680401949X","","","0.71073","MoKα","","0.048","0.0398","","","0.1117","0.1168","","","","","","1.157","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204151","7.7432","0.0004","8.8457","0.0004","19.2021","0.0009","90","","91.69","0.001","90","","1314.66","0.11","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4,5,6-tetrahydro-5-methyl-6-phenyl-4-propyl-2H-1,3,4-oxadiazin-2-one","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","2","CV6344","Lisa F. Szczepura; Shawn R. Hitchcock; George P. Nora","(5S,6R)-3,4,5,6-Tetrahydro-5-methyl-6-phenyl-4-propyl-2H-1,3,4-oxadiazin-2-one","Acta Crystallographica Section E","2004","60","9","o1467","o1469","10.1107/S160053680401829X","","","0.71073","MoKα","","0.0319","0.031","","","0.087","0.088","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204176","4.6318","0.0002","9.8575","0.0005","10.631","0.0006","90","","92.084","0.002","90","","485.07","0.04","185","","185","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2,4-anhydro-5-azido-5,6-dideoxy-L-altronate","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C14 H22 N6 O8 -","2","1","HB6077","Watkin, David J.; Johnson, Stephen W.; Jones, John H.; Fleet, George W. J.","Methyl 2,4-anhydro-5-azido-5,6-dideoxy-L-altronate","Acta Crystallographica Section E","2004","60","9","o1609","o1610","10.1107/S1600536804019968","","","0.71073","MoKα","","0.0506","0.0506","","0.0954","0.0954","0.0954","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204228","15.297","0.002","8.8543","0.0014","7.2805","0.0008","90","","92.321","0.01","90","","985.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","adenosinium 3,5-dinitrosalicylate","adenosinium 3,5-dinitrosalicylate","","- C17 H17 N7 O11 -","- C17 H17 N7 O11 -","- C34 H34 N14 O22 -","2","1","SU6130","Graham Smith; Urs D. Wermuth; Peter C. Healy","Adenosinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2004","60","9","o1573","o1576","10.1107/S1600536804019920","","","0.71069","MoKα","","0.0587","0.0365","","","0.0931","0.1216","","","","","","0.88","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204245","7.474","0.001","10.545","0.001","8.568","0.001","90","","100.223","0.009","90","","664.55","0.14","288","2","288","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-(4-Chlorobenzylidene)cyclooctanone","","- C15 H17 Cl O -","- C15 H17 Cl O -","- C30 H34 Cl2 O2 -","2","1","WN6265","Shen-Lin Huang; Yu-Lin Zhu; Yuan-Jiang Pan","(E)-2-(4-Chlorobenzylidene)cyclooctanone","Acta Crystallographica Section E","2004","60","9","o1504","o1506","10.1107/S1600536804017994","","","0.71073","MoKα","","0.0508","0.0356","","","0.0755","0.079","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204259","11.602","0.003","6.2657","0.0012","10.898","0.002","90","","106.85","0.02","90","","758.2","0.3","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C28 H26 N6 O12 -","2","1","AC6119","Ohba, Shigeru; Ito, Yoshikatsu; Arimoto, Satoru","Benzylammonium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2004","60","10","o1833","o1834","10.1107/S1600536804022962","","","0.71073","MoKα","","","0.0403","","","","0.1061","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204263","5.036","0.002","18.915","0.002","6.152","0.001","90","","96.21","0.02","90","","582.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","catena-(bis(υ~2~-L-asparaginato-N,O,O')copper(II)","","","- C8 H14 Cu N4 O6 -","- C8 H14 Cu N4 O6 -","- C16 H28 Cu2 N8 O12 -","2","1","BT6505","Vencato, Ivo; Lariucci, Carlito; Ferreira, Katiuscia D.; Santana, Ricardo C.; Carvalho, Jesiel F.","Redetermination of bis(L-asparaginato)copper(II)","Acta Crystallographica Section E","2004","60","10","m1428","m1430","10.1107/S1600536804022202","","","1.5418","CuKα","","0.034","0.034","","","0.092","0.092","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204273","11.52","0.003","10.42","0.003","16.011","0.005","90","","111.084","0.005","90","","1793.3","0.9","218","2","218","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(m-terphenyl)(η^8^-cyclooctatetraenyl)yttrium(μ-chloro)lithium tris(tetra-hydrofuran)","","- C38 H45 Cl Li O3 Y -","- C38 H45 Cl Li O3 Y -","- C76 H90 Cl2 Li2 O6 Y2 -","2","1","BT6520","Rabe, Gerd W.; Zhang-Preße, Mei; Riederer, Florian A.; Incarvito, Christopher D.; Golen, James A.; Rheingold, Arnold L.","(η^8^-Cyclooctatetraenyl)(m-terphenyl)yttrium-μ-chloro-[tris(tetrahydrofuran)lithium(I)]","Acta Crystallographica Section E","2004","60","10","m1442","m1443","10.1107/S1600536804022524","","","0.71073","MoKα","","0.06","0.0381","","","0.0665","0.0699","","","","","","0.854","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204285","11.1","0.002","7.994","0.002","13.895","0.002","90","","93","0.02","90","","1231.3","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,4R,5S)-3,4-O-isopropylidene-2-methyl-6,9-diazo-1-oxaspiro -[4.5]-decane-7,10-dione","","- C11 H13 N2 O5 -","- C11 H13 N2 O5 -","- C44 H52 N8 O20 -","4","2","CF6370","David J. Watkin; Matthias Müller; Yves Blèriot; Michela I. Simone; George W. J. Fleet","(2S,3R,4R,5S)-3,4-O-Isopropylidene-2-methyl-1-oxa-6,9-diazaspiro[4.5]decane-7,10-dione","Acta Crystallographica Section E","2004","60","10","o1820","o1822","10.1107/S1600536804022494","","","0.71069","MoKα","","0.0733","0.0733","","0.1392","0.1392","0.1392","","","","","","1.0722","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204341","13.1456","0.0004","17.1448","0.0006","13.3802","0.0006","90","","101.07","0.002","90","","2959.5","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(tetrabutyldiphenoxydistannoxane)","di-μ-(phenoxy)-1:2κ^2^O;-3:4κ^2^O-diphenoxy-1κO,4κO-octabutyl-1κ^2^C, 2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo-1:2:3κ^3^O;2:3:4κ^2^O-tetratin(IV)","","- C56 H92 O6 Sn4 -","- C56 H92 O6 Sn4 -","- C112 H184 O12 Sn8 -","2","1","HB6086","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Jurkschat, Klaus; Schürmann, Markus","Octabutyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo-1:2:3κ^3^O;2:3:4κ^2^O-di-μ~2~-phenoxy-1:2κ^2^O;3:4κ^2^O-diphenoxy-1κO,4κO-tetratin(IV)","Acta Crystallographica Section E","2004","60","10","m1437","m1438","10.1107/S1600536804022585","","","0.71073","MoKα","","0.0387","0.0255","","","0.043","0.0443","","","","","","0.871","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204357","9.828","0.001","6.849","0.001","17.634","0.001","90","","96.36","0.01","90","","1179.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2,3,4-tri-O-pivaloyl-β-D-xylopyranoside","","- C21 H36 O8 -","- C21 H36 O8 -","- C42 H72 O16 -","2","1","KP6001","Prugovečki, Biserka; Matković-Čalogović, Dubravka; Petrović, Vesna; Tomić, Srđanka","Methyl 2,3,4-tri-O-pivaloyl-β-D-xylopyranoside","Acta Crystallographica Section E","2004","60","10","o1840","o1841","10.1107/S1600536804022925","","","0.71069","MoKα","","0.0406","0.039","","","0.0933","0.0944","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204426","8.7227","0.0013","5.8099","0.0009","18.074","0.003","90","","103.203","0.006","90","","891.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Bromobenzyl)-1,3-diphenylpropane-1,3-dione","","- C22 H17 Br O2 -","- C22 H17 Br O2 -","- C44 H34 Br2 O4 -","2","1","AC6125","Karban, James W.; Aparicio, Michael K.; Palacios, Rene R.; Richardson, Kyle A.; Klausmeyer, Kevin K.","2-(4-Bromobenzyl)-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2004","60","11","o2043","o2044","10.1107/S1600536804026200","","","0.71073","MoKα","","0.0372","0.0306","","","0.0823","0.085","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204435","5.948","0.0003","7.501","0.0004","17.3197","0.001","90","","92.751","0.001","90","","771.84","0.07","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(1-Phenylethyl)iminomethyl]ferrocene","","- C19 H19 Fe N -","- C19 H19 Fe N -","- C38 H38 Fe2 N2 -","2","1","BT6533","Hecht, Elmar","[(1-Phenylethyl)iminomethyl]ferrocene","Acta Crystallographica Section E","2004","60","11","m1593","m1594","10.1107/S1600536804024754","","","0.71073","MoKα","","0.0319","0.0276","","","0.0739","0.0842","","","","","","1.115","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204520","15.6095","0.0008","6.8297","0.0004","18.6854","0.0009","90","","103.739","0.004","90","","1935.02","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-[(2'-Cyanobiphenyl-4-yl)methyl]-L-valine methyl ester hydrochloride","methyl 2-[(2'-cyanobiphenyl-4-yl)methylammonio]-3-methylbutanoate chloride","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C80 H92 Cl4 N8 O8 -","4","2","HG6096","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Nagarajab, Padmarajaiah; Prabhuswamy, Basappa; Bolte, Michael","N-[(2'-Cyanobiphenyl-4-yl)methyl]-L-valine methyl ester hydrochloride: an intermediate in the synthesis of valsartan","Acta Crystallographica Section E","2004","60","11","o2160","o2162","10.1107/S1600536804026790","","","0.71073","MoKα","","0.0368","0.0294","","","0.0666","0.0681","","","","","","0.904","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204541","8.0494","0.0012","6.4253","0.0009","12.95","0.002","90","","92.248","0.004","90","","669.26","0.17","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ammonium L-alanyl-L-phenylalaninate","","- C12 H19 N3 O3 -","- C12 H19 N3 O3 -","- C24 H38 N6 O6 -","2","1","LH6291","Görbitz, Carl Henrik","Ammonium L-alanyl-L-phenylalaninate","Acta Crystallographica Section E","2004","60","11","o2065","o2067","10.1107/S1600536804025917","","","0.71073","MoKα","","0.0416","0.0326","","","0.077","0.0816","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204560","6.1266","0.0002","6.7254","0.0002","13.8419","0.0005","90","","99.6456","0.0014","90","","562.28","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Amino-5-deoxy-2-C-hydroxymethyl-2,3-O-isopropylidene-D-talono-1,5-lactam","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C20 H34 N2 O12 -","2","1","RZ6003","Ameijde, Jeroen van; Cowley, Andrew R.; Fleet, George W. J.; Nash, Robert J.; Iezzi Simone, Michela; Soengas, Raquel","5-Amino-5-deoxy-2-C-hydroxymethyl-2,3-O-isopropylidene-D-talono-1,5-lactam","Acta Crystallographica Section E","2004","60","11","o2140","o2141","10.1107/S1600536804025292","","","0.71073","MoKα","","0.0334","0.0276","","0.0352","0.0343","0.0343","","","","","","1.0968","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204585","7.6623","0.0012","11.1298","0.0018","13.35","0.002","90","","100.547","0.003","90","","1119.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-Oxogedunin","1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-1,6a,7,10a,10b,11,12,12a- octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3aH,4bH,6H)-trione","","- C26 H30 O6 -","- C26 H30 O6 -","- C52 H60 O12 -","2","1","WN6285","Watcharee Waratchareeyakul; Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Chatchanok Karalai; Chanita Ponglimanont","7-Oxogedunin","Acta Crystallographica Section E","2004","60","11","o1964","o1966","10.1107/S160053680402450X","","","0.71073","MoKα","","0.0551","0.0473","","","0.1067","0.1102","","","","","","1.112","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204714","8.8828","0.0017","10.271","0.002","14.408","0.003","90","","104.306","0.017","90","","1273.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(cis-syn-cis-Dicyclohexano-18-crown-6)potassium chlorochromate","cis-syn-cis- icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin)potassium chlorochromate","","- C20 H36 Cl Cr K O9 -","- C20 H36 Cl Cr K O9 -","- C40 H72 Cl2 Cr2 K2 O18 -","2","1","IS6008","Kotlyar, Sergey A.; Zubatyuk, Roman I.; Zhigalko, Marina V.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(cis-syn-cis-Dicyclohexano-18-crown-6)potassium chlorochromate","Acta Crystallographica Section E","2004","60","12","m1847","m1848","10.1107/S1600536804028090","","","0.71073","MoKα","","0.0714","0.0376","","","0.0852","0.0906","","","","","","0.928","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204715","6.215","0.007","7.491","0.007","14.461","0.015","90","","98.68","0.08","90","","665.5","1.2","95","2","95","2","","","","","","","","3","P 1 21 1","P 2yb","4","Hyperolactone C","(5S,9S)-9-methyl-2-phenyl-9-vinyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","IS6009","Sara L. Crockett; Wolfgang Schühly; Ferdinand Belaj; Ikhlas A. Khan","Hyperolactone C","Acta Crystallographica Section E","2004","60","12","o2174","o2176","10.1107/S1600536804026819","","","0.71069","MoKα","","0.0992","0.0677","","","0.1363","0.1535","","","","","","1.08","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204716","6.359","0.002","21.158","0.005","15.374","0.005","90","","95.43","0.02","90","","2059.2","1.1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butoxycarbonyl-L-allo-isoleucyl-N-α-methyl-L-valine","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","2","IS6011","Oku, Hiroyuki; Naito, Ryo; Yamada, Keiichi; Katakai, Ryoichi","A synthetic fragment of a cyclic depsipeptide, aureobasidine A: tert-butoxycarbonyl-L-allo-isoleucyl-N-methyl-L-valine (Boc-L-allo-Ile-L-MeVal-OH)","Acta Crystallographica Section E","2004","60","12","o2261","o2263","10.1107/S1600536804028089","","","1.5418","CuKα","","","0.058","","","","0.116","","","","","","1.017","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204729","13.031","0.001","11.0503","0.0009","17.358","0.001","90","","104.654","0.001","90","","2418.2","0.3","120","0.2","120","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","asc9o","ascidiacyclamide analogue No.9 cyclo(Ile-D-aThr(3R)-D-Val-Thz-Ile-D-Oxz(3S)-D-Val-Thz) isoleucyl-D-","","- C42 H68 N10 O9 S2 -","- C42 H68 N10 O9 S2 -","- C84 H136 N20 O18 S4 -","2","1","KP6018","Akiko Asano; Mitsunobu Doi","Turn-over of an oxazoline ring induced by chiral change of a folded ascidiacyclamide analogue: cyclo(Ile-D‒aThr‒D-Val‒Thz‒Ile‒D-Oxz‒D-Val‒Thz) N,N-dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","12","o2449","o2451","10.1107/S1600536804030247","","","0.71073","MoKα","","0.063","0.0522","","","0.1386","0.1479","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204739","8.7755","0.0002","7.6452","0.0002","12.2232","0.0003","90","","106.966","0.0011","90","","784.37","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Azido-3-deoxy-2,2':5,6-di-O-isopropylidene-2-C-hydroxmethyl-D- gulono-1,4-lactone","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C26 H38 N6 O12 -","2","1","LH6302","Christopher C. Harding; Howard Shallard-Brown; David J. Watkin; Raquel Soengas; George W. J. Fleet","3-Azido-3-deoxy-2,2':5,6-di-O-isopropylidene-2-C-hydroxmethyl-D-gulono-1,4-lactone","Acta Crystallographica Section E","2004","60","12","o2334","o2336","10.1107/S1600536804029113","","","0.71073","MoKα","","0.0518","0.0448","","0.1085","0.1051","0.1085","","","","","","0.9324","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204784","5.3003","0.0003","10.354","0.0005","8.5137","0.0004","90","","96.127","0.001","90","","464.56","0.04","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,8aS,9R,9aS)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-f]indolizin- 6(4H)-one","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C20 H30 N2 O6 -","2","1","RZ6013","Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan; Szemes, Fridrich","(3aS,8aS,9R,9aS)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-f]indolizin-6(4H)-one","Acta Crystallographica Section E","2004","60","12","o2211","o2213","10.1107/S1600536804027515","","","0.71073","MoKα","","0.0924","0.0674","","","0.152","0.1664","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204787","6.3388","0.0013","12.79","0.003","10.196","0.002","90","","103.74","0.03","90","","803","0.3","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloro[(4S,4'S)-4,4'-diisopropyl-2,2'-bi-1,3-oxazoline]palladium(II)","","- C12 H20 Cl2 N2 O2 Pd -","- C12 H20 Cl2 N2 O2 Pd -","- C24 H40 Cl4 N4 O4 Pd2 -","2","1","RZ6016","Kožíšek, Jozef; Fronc, Marek; Svoboda, Ingrid; Kapitán, Peter; Gracza, Tibor","Dichloro[(4S,4'S)-4,4'-diisopropyl-2,2'-bi-1,3-oxazoline]palladium(II)","Acta Crystallographica Section E","2004","60","12","m1895","m1896","10.1107/S1600536804029290","","","0.71073","MoKα","","0.0266","0.0255","","","0.0589","0.0599","","","1.082","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204793","6.2289","0.0006","10.024","0.001","7.8351","0.0008","90","","97.987","0.002","90","","484.47","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,1'-Dibromoferrocene","","- C10 H8 Br2 Fe -","- C10 H8 Br2 Fe -","- C20 H16 Br4 Fe2 -","2","1","SJ6016","Hnetinka, Chrissy A.; Hunter, Allen D.; Zeller, Matthias; Lesley, M. J. Gerald","1,1'-Dibromoferrocene","Acta Crystallographica Section E","2004","60","12","m1806","m1807","10.1107/S1600536804028429","","","0.71073","MoKα","","0.037","0.0367","","","0.0943","0.0945","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204835","13.2146","0.0017","6.9739","0.0009","16.21","0.002","90","","91.49","0.002","90","","1493.4","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N,N-trimethyl-l-phenylalaninol bromide triydrate","[(R)-(+)-(1-hydroxy-3-phenylpropan-2-yl)trimethylammonium bromide] sesquihydrate","","- C12 H23 Br N O2.5 -","- C12 H23 Br N O2.5 -","- C48 H92 Br4 N4 O10 -","4","2","AC6143","Fan Chen; Zhi-Min Jin; Mao-Lin Hu","(R)-(+)-(1-Hydroxy-3-phenylpropan-2-yl)trimethylammonium bromide sesquihydrate","Acta Crystallographica Section E","2005","61","1","o72","o74","10.1107/S1600536804031708","","","0.71073","MoKα","","0.0541","0.0401","","","0.091","0.1021","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204845","7.0046","0.0008","13.1146","0.0014","8.4316","0.0009","90","","109.753","0.002","90","","728.97","0.14","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a- trimethylperhydroazuleno[1,2-b]furan-2-one","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","BT6566","G. Y. S. K. Swamy; K. Ravikumar; Biswanath Das; G. Mahender","(3R*,6S*,6aR*,9S*,9aS*)-6,6a,9-Trihydroxy-3,6,9a-trimethylperhydroazuleno[1,2-b]furan-2-one","Acta Crystallographica Section E","2005","61","1","o121","o123","10.1107/S1600536804032532","","","0.71073","MoKα","","0.0374","0.0368","","","0.0871","0.0874","","","","","","1.157","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204851","7.7315","0.0003","6.2859","0.0003","10.4209","0.0006","90","","102.102","0.0017","90","","495.19","0.04","190","","190","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4-O-Isoprpylidene-D-arabinono-1,5-lactone","","- C9 H14 O5 -","- C9 H14 O5 -","- C18 H28 O10 -","2","1","CF6391","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.","3,4-O-Isopropylidene-2-C-methyl-D-arabinono-1,5-lactone","Acta Crystallographica Section E","2005","61","1","o127","o129","10.1107/S1600536804032659","","","0.71073","MoKα","","0.0326","0.0306","","0.0784","0.0769","0.0784","","","","","","0.9927","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204928","7.0561","0.0014","7.5531","0.0015","7.6261","0.0015","90","","117.36","0.03","90","","360.97","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[aquamanganese(II)-μ~3~-1H-imidazole-4,5-dicarboxylato]","","- C5 H4 Mn N2 O5 -","- C5 H4 Mn N2 O5 -","- C10 H8 Mn2 N4 O10 -","2","1","NC6009","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Poly[aquamanganese(II)-μ~3~-1H-imidazole-4,5-dicarboxylato]","Acta Crystallographica Section E","2005","61","1","m155","m157","10.1107/S1600536804033306","","","0.71073","MoKα","","0.0241","0.0219","","","0.0479","0.0487","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204932","10.0696","0.0017","9.4318","0.0016","10.1752","0.0019","90","","95.178","0.014","90","","962.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pioglitazone hydrochloride","(±)-5-({4-[2-(5-ethyl-2-pyridinio)ethoxy]phenyl}methyl)thiazolidine-2,4-dione chloride","","- C19 H21 Cl N2 O3 S -","- C19 H21 Cl N2 O3 S -","- C38 H42 Cl2 N4 O6 S2 -","2","1","NC6013","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Nagaraja, Padmarajaiah; Bolte, Michael","Pioglitazone hydrochloride","Acta Crystallographica Section E","2005","61","1","o154","o155","10.1107/S1600536804033100","","","0.71073","MoKα","","0.0459","0.0348","","","0.0718","0.074","","","","","","0.828","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204962","11.6288","0.0009","14.0386","0.0011","13.7457","0.001","90","","98.349","0.001","90","","2220.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,10R,10aS,10bS,13R,13aR)-8-formyl-6-hydroxy-13-methoxy-1,1,7-trimethyl- 5-oxo-1,2,3,3a,5,9,10,10a,13,13a-decahydrocyclohepta[c]furo[3,4-e]chromen-10-yl acetate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","2","SJ6021","Shi, Hao","(3aS*,10R*,10aS*,10bS*,13R*,13aR*)-8-Formyl-6-hydroxy-13-methoxy-1,1,7-trimethyl-5-oxo-1,2,3,3a,5,9,10,10a,13,13a-decahydrocyclohepta[c]furo[3,4-e]chromen-10-yl acetate","Acta Crystallographica Section E","2005","61","1","o12","o14","10.1107/S1600536804031046","","","0.71073","MoKα","","0.0573","0.0477","","","0.1128","0.1188","","","","","","0.836","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204972","12.727","0.003","7.231","0.001","14.947","0.003","90","","108.79","0.03","90","","1302.2","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","catena-Poly[[strontium(II)-di-μ-aqua-di-μ-9-hydroxy-fluorene-9-carboxylato] monohydrate]","","- C28 H24 O9 Sr -","- C28 H24 O9 Sr -","- C56 H48 O18 Sr2 -","2","1","SJ6041","Gao, Shan; Huo, Li Hua; Zhao, Hui; Ng, Seik Weng","catena-Poly[[strontium(II)-di-μ-aqua-di-μ-9-hydroxyfluorene-9-carboxylato] monohydrate]","Acta Crystallographica Section E","2005","61","1","m129","m131","10.1107/S1600536804032799","","","0.71073","MoKα","","0.061","0.047","","","0.109","0.115","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204996","14.31","0.001","13.1112","0.0005","26.642","0.002","90","","90.007","0.005","90","","4998.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-(3a'S,4'S,9b'S,1R,2S,5R)-4'-Ethyl-3a',4',5',7',8',9b'-hexahydro-2- isopropyl-5-methyl-2'-phenylspiro[cyclohexane-1,7'-dioxino[3,2-e]isoindole]- 1',3',9'-trione","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C216 H264 N8 O40 -","8","4","BT6574","Schollmeyer, Dieter; Hoffmann, Ralf; Mattay, Jochen","(‒)-(3a'S,4'S,9b'S,1R,2S,5R)-4'-Ethyl-3a',4',5',7',8',9b'-hexahydro-2-isopropyl-5-methyl-2'-phenylspiro[cyclohexane-1,7'-dioxino[3,2-e]isoindole]-1',3',9'-trione","Acta Crystallographica Section E","2005","61","2","o290","o291","10.1107/S1600536805000140","","","1.54178","CuKα","","0.0712","0.0506","","","0.137","0.1541","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205020","6.4862","0.0001","27.931","0.0005","6.4787","0.0001","90","","109.894","0.0007","90","","1103.68","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Azido-2-deoxy-3,4-O-isopropylidene-2-C-methyl-D-ribono-1,5-lactone","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","CF6395","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; da Cruz, Filipa P.; Fleet, George W. J.","2-Azido-2-deoxy-3,4-O-isopropylidene-2-C-methyl-D-ribono-1,5-lactone","Acta Crystallographica Section E","2005","61","2","o511","o512","10.1107/S160053680500067X","","","0.71073","MoKα","","0.063","0.0446","","0.1018","0.0953","0.1018","","","","","","0.9941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205058","7.173","0.0014","12.267","0.003","7.868","0.0016","90","","100.75","0.03","90","","680.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-2-thioxo-2,3-dihydrothiazol-3-yl 4-methylphenyl carbonate","","- C12 H11 N O3 S2 -","- C12 H11 N O3 S2 -","- C24 H22 N2 O6 S4 -","2","1","FL6139","Hartung, Jens; Schneiders, Nina; Bergsträsser, Uwe","4-Methyl-2-thioxo-2,3-dihydrothiazol-3-yl 4-methylphenyl carbonate","Acta Crystallographica Section E","2005","61","2","o421","o422","10.1107/S1600536805001431","","","0.71073","MoKα","","0.0915","0.0707","","","0.1383","0.1499","","","","","","1.135","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205100","11.33","0.002","6.9142","0.0013","17.913","0.003","90","","107.145","0.003","90","","1340.9","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one","4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","KP6020","Liu, Ke-Yue; Gao, Wen-Yuan; Zhang, Tie-Jun; Chen, Hai-Xia; Surname, Zhou-Bin","4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one","Acta Crystallographica Section E","2005","61","2","o391","o392","10.1107/S1600536805000875","","","0.71073","MoKα","","0.091","0.0482","","","0.1131","0.1366","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205116","7.195","0.001","8.629","0.002","11.522","0.002","90","","97.59","0.03","90","","709.1","0.2","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","hemiprotonated 1-methylcytosine","1-Methylcytosinium iodide 1-methylcytosine","","- C10 H15 I N6 O2 -","- C10 H15 I N6 O2 -","- C20 H30 I2 N12 O4 -","2","1","LH6348","Jens Müller; Eva Freisinger","[(1-Methylcytosine)~2~H]I, an asymmetric base pair","Acta Crystallographica Section E","2005","61","2","o320","o322","10.1107/S1600536805000693","","","0.71069","MoKα","","0.0247","0.0204","","","0.0421","0.0429","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205134","13.337","0.003","5.3977","0.0014","14.312","0.004","90","","109.898","0.019","90","","968.8","0.4","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-(2-Methyl-1H-imidazole-4,5-diyl)bis[2(S)-methyl-3-azoniabutanoate] acetic acid monohydrate","","- C14 H26 N4 O7 -","- C14 H26 N4 O7 -","- C28 H52 N8 O14 -","2","1","OB6462","Gasque, Laura; Mijangos, Edgar; Bernès, Sylvain","4,4'-(2-Methyl-1H-imidazole-4,5-diyl)bis[2(S)-methyl-3-azoniabutanoate] acetic acid monohydrate","Acta Crystallographica Section E","2005","61","2","o284","o286","10.1107/S1600536805000115","","","0.71073","MoKα","","0.0585","0.0413","","","0.106","0.1173","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205186","7.0492","0.0009","10.6716","0.0014","11.7464","0.0015","90","","103.426","0.002","90","","859.49","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,10-phenanthrolin-1-ium 5-sulfosalicylate","","- C19 H14 N2 O6 S -","- C19 H14 N2 O6 S -","- C38 H28 N4 O12 S2 -","2","1","WW6336","Fan, Sai-Rong; Xiao, Hong-Ping; Zhu, Long-Guan","A cation‒anion complex: 1,10-phenanthrolin-1-ium 5-sulfonatosalicylic acid","Acta Crystallographica Section E","2005","61","2","o253","o255","10.1107/S1600536804034245","","","0.71073","MoKα","","0.0433","0.0429","","","0.1057","0.106","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205209","9.883","0.002","10.103","0.002","15.892","0.002","90","","106.59","0.01","90","","1520.7","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-1-Benzyl 2-tert-butyl 4-[N,N'-bis(tert-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,5-dicarboxylate","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","1","BT6586","Krzysztof Kaczmarek; Wojciech M. Wolf; Janusz Zabrocki","(2S,4R)-1-Benzyl 2-tert-butyl 4-[N,N'-bis(tert-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,2-dicarboxylate","Acta Crystallographica Section E","2005","61","3","o629","o631","10.1107/S1600536805003880","","","1.54178","CuKα","","0.1419","0.0522","","","0.1154","0.1581","","","","","","1.09","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205227","9.7976","0.0009","14.3385","0.0013","11.9807","0.001","90","","94.534","0.004","90","","1677.8","0.3","299","1","299","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis[(R)-2-hydroxy-2-phenylethyl]-N,N'-bis[(S)-1-phenylethyl]pyridine-2,6- dicarboxamide","","- C39 H39 N3 O4 -","- C39 H39 N3 O4 -","- C78 H78 N6 O8 -","2","1","CF6402","Sosa-Rivadeneyra, Martha; Quintero, Leticia; Anaya de Parrodi, Cecilia; Juaristi, Eusebio; Bernès, Sylvain","N,N'-Bis[(R)-2-hydroxy-2-phenylethyl]-N,N'-bis[(S)-1-phenylethyl]pyridine-2,6-dicarboxamide: stabilization of an asymmetric conformer through the formation of a double intramolecular hydrogen bond","Acta Crystallographica Section E","2005","61","3","o536","o538","10.1107/S160053680500228X","","","0.71073","MoKα","","0.0439","0.0358","","","0.0914","0.0967","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205263","10.8447","0.0006","8.3527","0.0005","17.443","0.001","90","","96.257","0.001","90","","1570.62","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4-Tri-O-acetyl-β-L-fucopyranosyl azide","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","2","FL6149","Norris, Peter; Zeller, Matthias","2,3,4-Tri-O-acetyl-β-L-fucopyranosyl azide","Acta Crystallographica Section E","2005","61","3","o729","o730","10.1107/S1600536805005106","","","0.71073","MoKα","","0.0407","0.0386","","","0.1075","0.1096","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205277","11.1168","0.0003","14.2464","0.0003","11.8709","0.0003","90","","92.113","0.001","90","","1878.77","0.08","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N3 O -","- C22 H26 N3 O -","- C88 H104 N12 O4 -","4","2","HG6137","Qing Yuan; Shan-Zhong Jian; Yan-Guang Wang","4-(9-Acridin-9-ylamino)-2,2,6,6-tetramethylpiperidine N-oxide","Acta Crystallographica Section E","2005","61","3","o565","o566","10.1107/S1600536805003375","","","0.71073","MoKα","","","0.0443","","","","0.1197","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205299","8.5222","0.0008","10.6245","0.0007","12.3742","0.0012","90","","93.697","0.011","90","","1118.08","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(1,2-dimethoxyethane-κ^2^O,O')diiodostrontium(II)","","- C12 H30 I2 O6 Sr -","- C12 H30 I2 O6 Sr -","- C24 H60 I4 O12 Sr2 -","2","1","LH6326","Weber, Frank; Wolmershäuser, Gotthelf; Sitzmann, Helmut","The tris(dimethoxyethane) adduct of strontium iodide","Acta Crystallographica Section E","2005","61","3","m512","m513","10.1107/S1600536804031617","","","0.71073","MoKα","","0.0436","0.0374","","","0.0888","0.0917","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205316","7.2545","0.001","7.2018","0.0009","7.7886","0.0013","90","","97.819","0.012","90","","403.14","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Nipecotic acid hydrochloride","3-carboxypiperidinium chloride","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C12 H24 Cl2 N2 O4 -","2","1","NC6023","Narasegowda, Rajenahally S.; Yathirajan, Hemmige S.; Bolte, Michael","Nipecotic acid hydrochloride","Acta Crystallographica Section E","2005","61","3","o763","o764","10.1107/S1600536805005337","","","0.71073","MoKα","","0.0225","0.0221","","","0.057","0.0573","","","","","","1.103","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205324","23.26","0.002","13.872","0.002","15.182","0.003","90","","93.79","0.04","90","","4888","1.3","298","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H44 Mn2 N8 Ni O6 -","- C44 H40 Mn2 N8 Ni O6 -","- C176 H160 Mn8 N32 Ni4 O24 -","4","2","OB6463","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","(SP-4-1)-Bis{aqua[(1R,2R)-N,N'-bis(salicylidene)cyclohexane-1,2-diamine-κ^4^O,N,N',O']manganese(III)}-di-μ-cyano-κ^4^N:C-[dicyanonickel(II)]","Acta Crystallographica Section E","2005","61","3","m502","m505","10.1107/S160053680500379X","","","0.7107","MoKα","","","0.0913","","","","0.2896","","","","","","1.065","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205410","5.289","0.002","8.678","0.002","13.178","0.005","90","","96.748","0.012","90","","600.7","0.4","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,6R)-3-benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","BT6614","Kooijman, Huub; Leemhuis, Mark; Nostrum, Cornelus F. van; Hennink, Wim E.; Spek, Anthony L.","(3S,6R)-3-Benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2005","61","4","o898","o900","10.1107/S1600536805006902","","","0.71073","MoKα","","0.0378","0.0309","","","0.0732","0.076","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205411","8.944","0.002","5.94","0.001","12.559","0.003","90","","107.905","0.012","90","","634.9","0.2","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,6S)-3-benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","BT6615","Kooijman, Huub; Leemhuis, Mark; Nostrum, Cornelus F. van; Hennink, Wim E.; Spek, Anthony L.","(3S,6S)-3-Benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2005","61","4","o901","o903","10.1107/S1600536805006914","","","0.71073","MoKα","","0.0431","0.0355","","","0.0903","0.0948","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205432","15.4548","0.0004","9.0111","0.0002","16.4767","0.0005","90","","102.787","0.001","90","","2237.72","0.1","190","","190","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H56 N4 O7 Si2 -","- C45 H56 N4 O7 Si2 -","- C90 H112 N8 O14 Si4 -","2","1","CF6411","Humphreys, Steven; Watkin, David J.; Sanjayan, Gangadharar J.; Tranter, George E.; Edwards, Alison A.; Fleet, George W. J.","Isopropyl 2,5-anhydro-4-(2,5-anhydro-4-azido-3-O-tert-butyldiphenylsilyl-4-deoxy-L-ribonylamino)-3-O-tert-butyldiphenylsilyl-4-deoxy-L-ribonate","Acta Crystallographica Section E","2005","61","4","o918","o919","10.1107/S1600536805006689","","","0.71073","MoKα","","0.0848","0.0848","","0.1191","0.1191","0.1191","","","","","","0.9886","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205433","6.8912","0.0003","7.3504","0.0003","13.6824","0.0006","90","","90.822","0.002","90","","692.98","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-L-ribitol","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C28 H40 N4 O6 -","2","1","CF6412","Christopher C. Harding; David J. Watkin; J. S. Shane Rountree; Terry D. Butters; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-L-ribitol","Acta Crystallographica Section E","2005","61","4","o930","o932","10.1107/S1600536805006926","","","0.71073","MoKα","","0.0394","0.0336","","0.0858","0.0776","0.0858","","","","","","0.8861","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205435","10.8823","0.0002","5.469","0.0001","15.3816","0.0002","90","","103.882","0.0011","90","","888.7","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Amino-N,N-dibenzyl-1,6-dideoxy-β-L-fructofuranose","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","CF6414","Christopher C. Harding; David J. Watkin; David J. Hotchkiss; Joseph M.D. Cook; George W. J. Fleet","1-Amino-N,N-dibenzyl-1,6-dideoxy-β-L-fructofuranose","Acta Crystallographica Section E","2005","61","4","o995","o997","10.1107/S1600536805007324","","","0.71073","MoKα","","0.0424","0.0345","","0.0784","0.0744","0.0784","","","","","","0.9916","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205534","5.8067","0.001","12.7007","0.0014","8.7274","0.0007","90","","99.643","0.014","90","","634.54","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ferrocenyl-5-methyltetrahydrofuran-2-one","","- C15 H16 Fe O2 -","- C15 H16 Fe O2 -","- C30 H32 Fe2 O4 -","2","1","LH6364","Rybarczyk-Pirek, Agnieszka J.; Plażuk, Damian; Zakrzewski, Janusz","5-Ferrocenyl-5-methyltetrahydrofuran-2-one, the product of the Friedel‒Crafts reaction of ferrocene with γ-methylenebutyrolactone","Acta Crystallographica Section E","2005","61","4","m644","m646","10.1107/S1600536805006239","","","1.54178","CuKα","","0.0612","0.0488","","","0.1168","0.1274","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205590","13.27","0.005","11.612","0.005","10.53","0.006","90","","112.48","0.03","90","","1499.3","1.3","297","2","297","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Diaqua[(1R,2R)-N,N'-bis(3,5-dibromosalicylidene)cyclohexane-1,2-diamine- κ^4^O,N,N',O']manganese(III) perchlorate dihydrate","","- C20 H24 Br4 Cl Mn N2 O10 -","- C20 H16 Br4 Cl Mn N2 O10 -","- C40 H32 Br8 Cl2 Mn2 N4 O20 -","2","1","SJ6054","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[(1R,2R)-N,N'-bis(3,5-dibromosalicylidene)cyclohexane-1,2-diamine-κ^4^O,N,N',O']manganese(III) perchlorate dihydrate","Acta Crystallographica Section E","2005","61","4","m772","m774","10.1107/S1600536805009062","","","0.71073","MoKα","","0.1037","0.0416","","","0.0983","0.1224","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205615","9.4794","0.0011","7.9025","0.0009","16.2016","0.0019","90","","94.089","0.003","90","","1210.6","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","Amygdalin tri-hydrate","(R)-1-cyano-1-(phenylmethyl)-β-D-glucopyranosyl-(1→6)-β-D- glucopyranoside","","- C20 H33 N O14 -","- C20 H33 N O14 -","- C40 H66 N2 O28 -","2","1","WN6326","Eriksson, Lars; Widmalm, Göran","Amygdalin trihydrate","Acta Crystallographica Section E","2005","61","4","o860","o862","10.1107/S1600536805006227","","","0.891","synchrotron","","0.0407","0.0372","","","0.0959","0.0973","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205620","14.031","0.003","5.5082","0.001","14.601","0.003","90","","107.412","0.003","90","","1076.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalaninium malonate L-phenylalanine","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C42 H52 N4 O16 -","2","1","WN6334","M. Alagar; R. V. Krishnakumar; P. Parimala Devi; S. Natarajan","L-Phenylalanine L-phenylalaninium malonate","Acta Crystallographica Section E","2005","61","4","o992","o994","10.1107/S1600536805007014","","","0.71073","MoKα","","0.056","0.0351","","","0.0903","0.1012","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205630","9.702","0.003","6.093","0.002","14.64","0.005","90","","100.914","0.001","90","","849.8","0.5","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C40 H46 Br2 O4 -","2","1","YA6235","Masataka Watanabe; Taisuke Matsumoto; Shuntaro Mataka; Thies Thiemann","17-Bromo-16-formyl-3-methoxyestra-1,3,5(10),16-tetraene","Acta Crystallographica Section E","2005","61","4","o974","o976","10.1107/S160053680500704X","","","0.7107","MoKα","","","0.023","","","","0.061","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205662","6.1521","0.0005","7.5495","0.0007","9.3055","0.0008","90","","98.501","0.005","90","","427.45","0.06","190","","190","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-C-Methyl-D-allono-1,4-lactone","","- C7 H12 O6 -","- C7 H12 O6 -","- C14 H24 O12 -","2","1","CF6418","Christopher C. Harding; David J. Watkin; Nicola K. Sawyer; Sarah F. Jenkinson; George W. J. Fleet","2-C-Methyl-D-allono-1,4-lactone","Acta Crystallographica Section E","2005","61","5","o1472","o1474","10.1107/S1600536805012328","","","0.71073","MoKα","","0.0418","0.037","","0.0919","0.0886","0.0919","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205663","10.3116","0.0003","5.9084","0.0002","17.2641","0.0006","90","","94.2891","0.0013","90","","1048.87","0.06","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Amino-1-deoxy-N,N-dibenzyl-α-D-tagatopyranose","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C42 H58 N2 O12 -","2","1","CF6419","Christopher C. Harding; Andrew R. Cowley; David J. Watkin; Francesco Punzo; David Hotchkiss; George W. J. Fleet","1-Amino-N,N-dibenzyl-1-deoxy-α-D-tagatopyranose methanol solvate","Acta Crystallographica Section E","2005","61","5","o1475","o1477","10.1107/S160053680501233X","","","0.71073","MoKα","","0.0588","0.041","","0.0947","0.0862","0.0947","","","","","","0.8979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205670","9.254","0.002","6.864","0.002","13.174","0.003","90","","102.78","0.03","90","","816.1","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{[2-(2-Hydroxyethylamino)ethylimino]methyl}naphthalen-2-ol perchlorate","","- C15 H19 Cl N2 O6 -","- C15 H19 Cl N2 O6 -","- C30 H38 Cl2 N4 O12 -","2","1","CI6560","Zhu, Hai-Liang; You, Zhong-Lu","A perchlorate salt of 1-{[2-(2-hydroxyethylamino)ethylimino]methyl}naphthalen-2-ol","Acta Crystallographica Section E","2005","61","5","o1271","o1272","10.1107/S1600536805010585","","","0.71073","MoKα","","0.0694","0.0531","","","0.1339","0.1452","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205681","6.4308","0.0011","9.8948","0.0017","15.356","0.003","90","","99.179","0.004","90","","964.6","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(3,4- methylenedioxyphenyl)methyleneimino]-1H-pyrazole-3-carbonitrile","","- C19 H9 Cl2 F3 N4 O2 -","- C19 H9 Cl2 F3 N4 O2 -","- C38 H18 Cl4 F6 N8 O4 -","2","1","CV6475","Zhong, Ping; Zhang, Xiao-Hong; Yang, Zhi-Ping; Xiao, Hong-Ping; Hu, Mao-Lin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(3,4-methylenedioxyphenyl)methyleneimino]-1H-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","5","o1448","o1449","10.1107/S1600536805012262","","","0.71073","MoKα","","0.0868","0.0646","","","0.1305","0.1535","","","","","","1.068","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205705","10.367","0.004","5.1611","0.0007","13.12","0.003","90","","93.2","0.02","90","","700.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Asparaginium picrate","L-Asparaginium picrate","","- C10 H11 N5 O10 -","- C10 H11 N5 O10 -","- C20 H22 N10 O20 -","2","1","ER6019","K. Anitha; S. Athimoolam; R. K. Rajaram","L-Asparaginium picrate","Acta Crystallographica Section E","2005","61","5","o1463","o1465","10.1107/S1600536805012080","","","0.71073","MoKα","","0.0271","0.0251","","","0.0679","0.0695","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205711","8.7362","0.0011","6.8235","0.0008","16.957","0.002","90","","95.769","0.002","90","","1005.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(1S,2S,3S,4R,5R)-N-(1,3-Dihydroxyprop-2-yl)-2,3,4-trihydroxy- 5-(hydroxymethyl)-1-cyclohexanaminium picrate","","- C16 H24 N4 O13 -","- C16 H24 N4 O13 -","- C32 H48 N8 O26 -","2","1","FL6157","Zhu, Jiarong; Chang, Hongjie; Feng, Xiao-Long","(+)-(1S,2S,3S,4R,5R)-N-(1,3-Dihydroxyprop-2-yl)-2,3,4-trihydroxy-5-(hydroxymethyl)-1-cyclohexanaminium picrate","Acta Crystallographica Section E","2005","61","5","o1498","o1500","10.1107/S1600536805012419","","","0.71073","MoKα","","0.0428","0.0373","","","0.0955","0.1029","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205760","18.2966","0.0005","5.06225","0.0001","15.7245","0.0004","90","","104.557","0.0015","90","","1409.68","0.06","295","","295","","","","","","","","","2","P 1 21 1","P 2yb","4","Dibenz[a,c]anthracene","1,2:5,6-Dibenzanthracene","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","2","LH6405","Fernandes, Philippe; Florence, Alastair; Shankland, Kenneth; David, Bill","Powder diffraction study of 1,2:3,4-dibenzanthracene","Acta Crystallographica Section E","2005","61","5","o1483","o1485","10.1107/S1600536805012171","","","1.54056","CuKα1","","","","","","","","","","1.64","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205765","12.791","0.002","6.4448","0.0016","12.068","0.003","90","","104.741","0.016","90","","962.1","0.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenyl-1-ethylammonium (R)-2-hydroxymethyl-2-(2-naphthyl)propanoate","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","NC6025","Ohba, Shigeru; Tsutsumi, Tomomi; Terao, Yosuke; Miyamoto, Kenji; Ohta, Hiromichi","(R)-1-Phenyl-1-ethylammonium (R)-2-hydroxymethyl-2-(2-naphthyl)propanoate","Acta Crystallographica Section E","2005","61","5","o1283","o1285","10.1107/S1600536805010305","","","0.71073","MoKα","","","0.0484","","","","0.1022","","","","","","0.973","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205767","10.4667","0.0017","6.2976","0.0007","14.072","0.002","90","","103.738","0.019","90","","901","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hepta-ammonium bis(hydrogenphosphate) phosphate","heptaammonium bis(hydrogenphosphate) phosphate","","- H30 N7 O12 P3 -","- H30 N7 O12 P3 -","- H60 N14 O24 P6 -","2","1","NC6029","Nolte, Matthias; Pantenburg, Ingo; Meyer, Gerd","(NH~4~)~7~(HPO~4~)~2~(PO~4~), heptaammonium bis(hydrogenphosphate) phosphate","Acta Crystallographica Section E","2005","61","5","i84","i86","10.1107/S1600536805012018","","","0.71073","MoKα","","0.0392","0.0306","","","0.0713","0.0839","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205897","8.1669","0.0008","24.11","0.002","14.4666","0.0014","90","","104.057","0.002","90","","2763.2","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3β-hydroxylupan-29-oic acid","2-(9-hydroxy-3a,5a,5b,8,8,11a-(hexamethylicosahydro-1H-cyclopenta[a]chrysen- 1-yl)propanoic acid","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","2","CI6578","Pakakrong Thongdeeying; Suchada Chantrapromma; Hoong-Kun Fun; Shazia Anjum; Shamsher Ali; Chanita Ponglimanont","2-(9-Hydroxy-3a,5a,5b,8,8,11a-hexamethylicosahydro-1H-cyclopenta[a]chrysen-1-yl)propanoic acid (3β-hydroxylupan-29-oic acid)","Acta Crystallographica Section E","2005","61","6","o1861","o1863","10.1107/S1600536805015606","","","0.71073","MoKα","","0.0936","0.0531","","","0.0996","0.1168","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205920","10.074","0.002","5.6289","0.0012","13.969","0.003","90","","110.074","0.004","90","","744","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(3-Benzoylthioureido)ethanoic acid dimethyl sulfoxide solvate","","- C12 H16 N2 O4 S2 -","- C12 H16 N2 O4 S2 -","- C24 H32 N4 O8 S4 -","2","1","CV6512","Ngah, Nurziana; Shah, Nabihah M.; Kassim, Mohammad B.; Yamin, Bohari M.","2-(3-Benzoylthioureido)ethanoic acid dimethyl sulfoxide solvate","Acta Crystallographica Section E","2005","61","6","o1910","o1912","10.1107/S1600536805016491","","","0.71073","MoKα","","0.037","0.033","","","0.076","0.077","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205930","10.353","0.003","6.107","0.001","10.882","0.002","90","","102.23","0.02","90","","672.4","0.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-Chlorophenyl)-2-(trichloromethylsulfanyl)-1,3-thiazole","","- C10 H5 Cl4 N S2 -","- C10 H5 Cl4 N S2 -","- C20 H10 Cl8 N2 S4 -","2","1","FL6158","Hartung, Jens; Schmidt, Philipp; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-2-(trichloromethylsulfanyl)-1,3-thiazole","Acta Crystallographica Section E","2005","61","6","o1736","o1737","10.1107/S160053680501305X","","","0.71073","MoKα","","0.0502","0.0321","","","0.0768","0.0847","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205936","6.3265","0.0013","11.047","0.002","9.003","0.0018","90","","109.14","0.03","90","","594.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxy-2-methyl-N-phenylaniline","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","FL6168","Si-Qian Wang; Zhen-Feng Zhang; Xin Wang; Mei-Yu Huang; Ying-Yan Jiang","4-Methoxy-2-methyl-N-phenylaniline","Acta Crystallographica Section E","2005","61","6","o1872","o1874","10.1107/S1600536805015783","","","0.71073","MoKα","","0.0376","0.0337","","","0.0955","0.0973","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205951","8.2904","0.0006","14.2195","0.0008","16.955","0.0007","90","","90.615","0.004","90","","1998.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate","","- C14 H21 Cl Co N5 O7 -","- C14 H20 Cl Co N5 O7 -","- C56 H80 Cl4 Co4 N20 O28 -","4","2","HB6201","Shen, Xu-Jie; Xiao, Li-Ping; Xu, Ru-Ren","Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate","Acta Crystallographica Section E","2005","61","6","m1156","m1158","10.1107/S1600536805015424","","","0.71073","MoKα","","0.0701","0.0442","","","0.0771","0.0846","","","","","","0.896","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205967","4.516","0.001","11.618","0.002","11.481","0.002","90","","91.43","0.02","90","","602.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[Bis(4,5-hydroxymethyl)-1,2,3-triazol-1-ylmethyl]thymine","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C20 H26 N10 O8 -","2","1","HG6184","Stash, Adam I.; Zavodnik, Valery E.; Zavgorodny, Sergei G.; Gurskaya, Galina V.; Tsirelson, Vladimir G.","1-[4,5-Bis(hydroxymethyl)-1,2,3-triazol-1-ylmethyl]thymine","Acta Crystallographica Section E","2005","61","6","o1721","o1723","10.1107/S1600536805014650","","","0.71073","MoKα","","0.0389","0.0303","","","0.0835","0.0864","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205985","10.536","0.002","19.225","0.005","9.5","0.002","90","","97.67","0.02","90","","1907.1","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(4aR,9aS)-O-(4-Bromobenzoyl)-N-(3-methylanthracen-9-ylidene)hydroxylamine","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C88 H80 Br4 N4 O8 -","4","2","IS6073","Ohba, Shigeru; Ishida, Naoyuki; Kato, Dai-ichiro; Miyamoto, Kenji; Ohta, Hiromichi","(+)-(4aR,9aS)-O-(4-Bromobenzoyl)-N-(3-methylanthracen-9-ylidene)hydroxylamine","Acta Crystallographica Section E","2005","61","6","o1620","o1621","10.1107/S1600536805013966","","","0.71073","MoKα","","","0.0626","","","","0.2314","","","","","","0.983","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205995","8.124","0.001","7.2832","0.0005","16.3599","0.0019","90","","101.298","0.009","90","","949.24","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Benzyl 2-(2-chloro-4,5-dicyanophenoxy)benzoate","","- C22 H13 Cl N2 O3 -","- C22 H13 Cl N2 O3 -","- C44 H26 Cl2 N4 O6 -","2","1","JH6007","Ocak Ískeleli, Nazan; Ag̃ar, Ayşen","Benzyl 2-(2-chloro-4,5-dicyanophenoxy)benzoate","Acta Crystallographica Section E","2005","61","6","o1942","o1943","10.1107/S1600536805016648","","","0.71073","MoKα","","0.0621","0.0373","","","0.0978","0.1053","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206003","5.739","0.002","33.684","0.005","6.003","0.002","90","","106.79","0.04","90","","1111","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pargyline","N-benzyl-N-methylprop-2-yn-1-aminium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C44 H56 Cl4 N4 -","4","2","LH6414","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Pargyline hydrochloride: a monoclinic form","Acta Crystallographica Section E","2005","61","6","o1595","o1597","10.1107/S1600536805013309","","","1.54178","CuKα","","0.087","0.0718","","","0.196","0.2064","","","","","","1.522","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206007","11.4352","0.0015","6.1405","0.0005","11.5469","0.0014","90","","97.785","0.015","90","","803.33","0.16","193","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (1R,3R)-6-tert-butoxycarbonylamino-1,5-dioxo-2,3-dihydro-5H-1,3- thiazolo[3,2-a]pyridine-3-carboxylate","","- C14 H18 N2 O6 S -","- C14 H18 N2 O6 S -","- C28 H36 N4 O12 S2 -","2","1","LH6420","Seger, Harald; Marsch, Michael; Geyer, Armin; Harms, Klaus","(1R,3R)-Methyl 6-tert-butoxycarbonylamino-1,5-dioxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyridine-3-carboxylate","Acta Crystallographica Section E","2005","61","6","o1798","o1799","10.1107/S1600536805014868","","","0.71073","MoKα","","","0.0242","","","","0.0574","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206024","8.845","0.003","13.335","0.005","5.5203","0.001","90","","95.1","0.02","90","","648.5","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-nitrobenzenesulfonyl)-L-alanine methyl ester","","- C10 H12 N2 O6 S -","- C10 H12 N2 O6 S -","- C20 H24 N4 O12 S2 -","2","1","NC6028","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy; Alan R. White","N-(2-Nitrobenzenesulfonyl)-L-alanine methyl ester","Acta Crystallographica Section E","2005","61","6","o1665","o1667","10.1107/S1600536805014315","","","0.7107","MoKα","","0.0549","0.0357","","","0.0962","0.1055","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206046","5.6995","0.0013","17.916","0.004","7.0525","0.0017","90","","99.424","0.005","90","","710.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(9S)-2-(3-Benzoylthioureido)-3-(1H-imidazol-4-yl)propionic acid","(9S)-2-(3-benzoylthioureido)-3-(1H-imidazolium-4-yl)propionate","","- C14 H14 N4 O3 S -","- C14 H14 N4 O3 S -","- C28 H28 N8 O6 S2 -","2","1","RN6047","Ngah, Nurziana; Shah, Nabihah M.; Yusof, Rusila; Yamin, Bohari M","(2S)-2-(3-Benzoylthioureido)-3-(1H-imidazol-4-yl)propionic acid","Acta Crystallographica Section E","2005","61","6","o1689","o1691","10.1107/S160053680501442X","","","0.71073","MoKα","","0.039","0.039","","","0.096","0.097","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206057","7.423","0.001","7.034","0.001","10.998","0.001","90","","99.67","0.01","90","","566.08","0.12","296.1","0.2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(10aS)-7-methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","SG6009","Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Kadlečíková, Katarína","(10aS)-7-Methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione","Acta Crystallographica Section E","2005","61","6","o1749","o1751","10.1107/S1600536805014996","","","0.71069","MoKα","","0.0767","0.0433","","","0.0987","0.1109","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206060","7.618","0.001","10.28","0.002","10.936","0.001","90","","99.55","0.01","90","","844.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","H-2,4-Dimethyl-6-phenyl-8,9-dihydropyrido[3',2':5,6][1,2]thiazino[3,2-c]- [1,4]oxazin-5-one-11,11-dioxide","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C36 H32 N4 O8 S2 -","2","1","SJ6075","Karczmarzyk, Zbigniew; Malinka, Wiesław","5H-2,4-Dimethyl-6-phenyl-8,9-dihydropyrido[3',2':5,6][1,2]thiazino[3,2-c][1,4]oxazin-5-one 11,11-dioxide","Acta Crystallographica Section E","2005","61","6","o1649","o1651","10.1107/S1600536805013140","","","0.71073","MoKα","","0.0408","0.0351","","","0.0869","0.0906","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206095","7.347","0.0015","9.501","0.0019","13.568","0.003","90","","97.81","0.03","90","","938.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl ent-15β-hydroxy-16α-kauran-19-oate","","- C21 H34 O3 -","- C21 H34 O3 -","- C42 H68 O6 -","2","1","WN6340","Batista, Ronan; García, Pablo A.; Castro, María A.; del Corral, José M. Miguel; Speziali, Nivaldo L.; Oliveira, Alaide B. de","Methyl ent-15β-hydroxy-16α-kauran-19-oate","Acta Crystallographica Section E","2005","61","6","o1525","o1527","10.1107/S1600536805009554","","","1.5418","CuKα","","0.0333","0.0323","","","0.0884","0.0895","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206147","15.005","0.003","10.2992","0.0019","19.602","0.004","90","","97.984","0.003","90","","2999.9","1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cholesteryl isobutylcarbonate","","- C32 H54 O3 -","- C32 H54 O3 -","- C128 H216 O12 -","4","2","CF6437","Park, Young Ja; Bae, Jinmi; Lah, Myoung Soo","Cholesteryl isobutylcarbonate","Acta Crystallographica Section E","2005","61","7","o2312","o2314","10.1107/S1600536805020118","","","0.71073","MoKα","","0.0752","0.0578","","","0.1543","0.1689","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206211","11.155","0.002","7.0897","0.0016","17.488","0.004","90","","99.313","0.003","90","","1364.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(kokusaginine)trihydrate","4,6,7-Trimethoxyfuro[2,3-b]quinoline‒water (2/3)","","- C28 H32 N2 O11 -","- C28 H32 N2 O11 -","- C56 H64 N4 O22 -","2","1","HK6009","Latip, Jalifah; Ali, Noor Hapeedah. M.; Yamin, Bohari M.","4,6,7-Trimethoxyfuro[2,3-b]quinoline‒water (2/3)","Acta Crystallographica Section E","2005","61","7","o2230","o2232","10.1107/S1600536805019082","","","0.71073","MoKα","","0.047","0.041","","","0.099","0.102","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206231","7.3829","0.0011","6.7658","0.001","11.1074","0.0017","90","","93.826","0.002","90","","553.59","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5S,6R)-4,5-Dimethyl-6-phenylmorpholine-2,3-dione","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","LH6437","Ji-Dan Yan; Ming Lu; Yu-Ping Guo; Chun-Bao Li; Xiang-Yang Tang","(5S,6R)-4,5-Dimethyl-6-phenylmorpholine-2,3-dione","Acta Crystallographica Section E","2005","61","7","o2167","o2168","10.1107/S160053680501682X","","","0.71073","MoKα","","0.0364","0.0312","","","0.0844","0.087","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206261","9.663","0.002","7.128","0.002","9.922","0.002","90","","98.42","0.03","90","","676","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[zinc(II)-μ-[2-(2-carboxylatophenyliminomethyl)phenolato- 1κ^3^O,N,O':1'κO''] methanol solvate]","","- C15 H13 N O4 Zn -","- C15 H13 N O4 Zn -","- C30 H26 N2 O8 Zn2 -","2","1","OM6248","Ju, Wen-Zheng; Shi, Lei; Xue, Jia-Yu","catena-Poly[[zinc(II)-μ-[2-(2-carboxylatophenyliminomethyl)phenolato-1κ^3^O,N,O':1'κO'']] methanol solvate]","Acta Crystallographica Section E","2005","61","7","m1427","m1428","10.1107/S1600536805019823","","","0.71073","MoKα","","0.0317","0.0309","","","0.0856","0.0861","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206262","8.532","0.004","5.782","0.002","14.05","0.006","90","","102.784","0.007","90","","675.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-3-[4-(Benzyloxy)phenyl]-2-hydroxypropanoic acid","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","RN6049","Wang, He-Qing; Zeng, Qing-Le; Fang, Hua; Huang, Rong-Bin; Zhao, Yu-Fen","(S)-3-[4-(Benzyloxy)phenyl]-2-hydroxypropanoic acid","Acta Crystallographica Section E","2005","61","7","o2286","o2287","10.1107/S1600536805019100","","","0.71073","MoKα","","0.0727","0.0698","","","0.2","0.2038","","","","","","0.863","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206359","12.1813","0.0009","30.862","0.002","7.7875","0.0006","90","","93.4","0.002","90","","2922.5","0.4","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","brucinium toluene-4-sulfonate trihydrate","2,3-dimethoxy-10-oxostrychnidinium toluene-4-sulfonate trihydrate","","- C30 H40 N2 O10 S -","- C30 H40 N2 O10 S -","- C120 H160 N8 O40 S4 -","4","2","BT6697","Graham Smith; Urs D. Wermuth; Peter C. Healy; David J. Young; Jonathan M. White","Brucinium toluene-4-sulfonate trihydrate at 130 K","Acta Crystallographica Section E","2005","61","8","o2646","o2648","10.1107/S1600536805022695","","","0.71073","MoKα","","0.0765","0.0495","","","0.0804","0.0879","","","","","","0.844","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206366","8.8118","0.0018","12.43","0.003","18.031","0.004","90","","97.749","0.002","90","","1956.9","0.8","293.2","0.2","293.2","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-{[(2-alanine methyl ester)amino](phenyl)methylidene} -3-methyl-1-phenylpyrazol-5-one","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","2","CF6431","Zhu, Hualing; Zhang, Xin; Song, Yujing; Xu, Haizhen; Dong, Mei","4-{[1-(Methoxycarbonyl)ethylamino](phenyl)methylidene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2005","61","8","o2387","o2388","10.1107/S1600536805020349","","","0.71073","MoKα","","0.091","0.042","","","0.0933","0.1098","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206376","17.2952","0.0002","10.7468","0.0002","20.4914","0.0004","90","","100.786","0.0005","90","","3741.4","0.11","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenylsilyl-L-ribonate","","- C40 H50 O5 Si2 -","- C40 H50 O5 Si2 -","- C160 H200 O20 Si8 -","4","2","CF6446","Andreas F. G. Glawar; David J. Watkin; Gangadhar J. Sanjayan; George E. Tranter; Alison A. Edwards; George W. J. Fleet","Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenylsilyl-L-ribonate","Acta Crystallographica Section E","2005","61","8","o2724","o2726","10.1107/S1600536805023822","","","0.71073","MoKα","","0.05","0.05","","0.096","0.096","0.096","","","","","","0.9663","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2206377","10.4312","0.0003","5.4469","0.0001","13.0536","0.0005","90","","93.4825","0.001","90","","740.31","0.04","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S,4S,5R)-Methyl 5-cyano-2,3:4,5-di-O-isopropylidene-2,3,4,5- tetrahydroxypentanoate","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C26 H38 N2 O12 -","2","1","CF6447","Andreas Glawar; Benjamin A. Mayes; David Watkin; George W. J. Fleet","(2R,3S,4S,5R)-Methyl 5-cyano-2,3:4,5-di-O-isopropylidene-2,3,4,5-tetrahydroxypentanoate","Acta Crystallographica Section E","2005","61","8","o2727","o2729","10.1107/S1600536805023834","","","0.71073","MoKα","","0.0318","0.0318","","0.0693","0.0693","0.0693","","","","","","0.9885","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206391","6.8616","0.0006","5.8084","0.0006","25.6901","0.0018","90","","90.733","0.008","90","","1023.79","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Histidinium Sulfate","L-Histidinium sulfate","","- C6 H11 N3 O6 S -","- C6 H11 N3 O6 S -","- C24 H44 N12 O24 S4 -","4","2","CV6532","R. Praveen Kumar; S. Athimoolam; S. Asath Bahadur; R. K. Rajaram","L-Histidinium sulfate","Acta Crystallographica Section E","2005","61","8","o2419","o2421","10.1107/S1600536805021021","","","0.71073","MoKα","","0.0632","0.0467","","","0.1302","0.1891","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206399","10.9594","0.0012","8.7222","0.0009","11.5783","0.0012","90","","113.136","0.002","90","","1017.76","0.19","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Di-μ-oxo-bis[(histidinato-κ^3^N,N,O)oxomolybdenum(V)] trihydrate","","- C12 H22 Mo2 N6 O11 -","- C12 H22 Mo2 N6 O11 -","- C24 H44 Mo4 N12 O22 -","2","1","CV6543","Ping-Fan Wu; Dong-Sheng Li; Xiang-Gao Meng; Xiao-Lin Zhong; Jiang Chao; Yu-Lin Zhu; Yong-Ge Wei","Di-μ-oxo-bis[(histidinato-κ^3^N,N,O)oxomolybdenum(V)] trihydrate","Acta Crystallographica Section E","2005","61","8","m1553","m1555","10.1107/S1600536805021732","","","0.71073","MoKα","","0.02","0.0198","","","0.0485","0.0486","","","","","","1.126","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206409","9.4153","0.0012","9.8326","0.0014","11.2069","0.0019","90","","96.391","0.012","90","","1031.1","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Bromoethyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","","- C16 H23 Br O10 -","- C16 H23 Br O10 -","- C32 H46 Br2 O20 -","2","1","DN6234","Ivan Halasz; Renata Odžak; Srđanka Tomić; Dubravka Matković-Čalogović","2-Bromoethyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","Acta Crystallographica Section E","2005","61","8","o2644","o2645","10.1107/S1600536805022555","","","0.71073","MoKα","","0.0624","0.0465","","","0.1191","0.1422","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206445","11.9054","0.0008","10.8101","0.0006","13.6064","0.0009","90","","112.957","0.007","90","","1612.4","0.2","173","","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R)-Methyl 6-tert-butoxycarbonylamino-5-oxo- 2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyridine-3-carboxylate","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","2","HG6207","Seger, Harald; Stempfhuber, Sabine; Zabel, Manfred; Marsch, Michael; Geyer, Armin; Harms, Klaus","(3R)-Methyl 6-tert-butoxycarbonylamino-5-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyridine-3-carboxylate","Acta Crystallographica Section E","2005","61","8","o2576","o2578","10.1107/S1600536805022245","","","0.71073","MoKα","","0.0345","0.0338","","","0.0852","0.0856","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206459","9.9906","0.0008","7.2954","0.0006","10.2946","0.0009","90","","91.893","0.001","90","","749.92","0.11","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Zn(phen)(mal)(H~2~O)]~n~","catena-Poly[[aqua(1,10-phenanthroline)zinc(II)]-μ-maleate-κ^3^O,O,O']","","- C16 H12 N2 O5 Zn -","- C16 H12 N2 O5 Zn -","- C32 H24 N4 O10 Zn2 -","2","1","IS6086","Li, Ming-Tian; Fu, Xu-Cheng; Wang, Cheng-Gang","catena-Poly[[aqua(1,10-phenanthroline)zinc(II)]-μ-maleato-κ^3^O,O:O']","Acta Crystallographica Section E","2005","61","8","m1436","m1438","10.1107/S1600536805020271","","","0.71073","MoKα","","0.0229","0.0223","","","0.0645","0.0648","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206486","4.783","0.0005","21.54","0.002","7.7599","0.0008","90","","105.911","0.002","90","","768.84","0.13","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","α-lactose monohydrate","α-4-O-(β-D-galactopyranosido)-D-glucopyranose","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","LH6465","Smith, Joanne H.; Dann, Sandra E.; Elsegood, Mark R. J.; Dale, Sophie H.; Blatchford, Chris. G","α-Lactose monohydrate: a redetermination at 150 K","Acta Crystallographica Section E","2005","61","8","o2499","o2501","10.1107/S1600536805021367","","","0.71073","MoKα","","0.0385","0.0332","","","0.0762","0.0788","","","","","","1.104","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206488","8.6831","0.0004","9.8249","0.0005","9.6824","0.0005","90","","110.766","0.002","90","","772.35","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3-Tri-O-acetyl-5-deoxy-5-methylthio-β-D-ribofuranose","","- C12 H18 O7 S -","- C12 H18 O7 S -","- C24 H36 O14 S2 -","2","1","LH6468","Jeckelmann, Jean-Marc; Lüthi Nyffeler, Therese; Altmann, Michael; Bürgi, Hans-Beat; Renaud, Philippe; Hauser, Jürg","1,2,3-Tri-O-acetyl-5-deoxy-5-methylthio-β-D-ribofuranose","Acta Crystallographica Section E","2005","61","8","o2689","o2690","10.1107/S1600536805022683","","","0.71073","MoKα","","0.0516","0.0351","","","0.0802","0.0866","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206527","9.4761","0.0006","10.0886","0.0006","10.5018","0.0006","90","","111.697","0.006","90","","932.85","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-(+)-2-(2-biphenyl-2-yl-1-methylethyl)-4,5-dihydro-1H-imidazolium hydrogen oxalate","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","RZ6096","Giannella, Mario; Gentili, Francesco; Bruni, Bruno; Messori, Luigi; Di Vaira, Massimo","(S)-(+)-2-[2-(Biphenyl-2-yl)-1-methylethyl]-4,5-dihydro-1H-imidazolium hydrogen oxalate","Acta Crystallographica Section E","2005","61","8","o2376","o2378","10.1107/S1600536805020398","","","1.5418","CuKα","","0.0366","0.0346","","","0.0823","0.083","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206544","6.744","0.002","6.988","0.002","19.377","0.003","90","","93.19","0.03","90","","911.8","0.4","296","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ent-3β-hydroxy-8(17),13(14)-labdadiene-16,15-olide 14-deoxyandrographolide","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","SJ6106","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Cantoni, Andrea; Pramanick, Swapan; Banerjee, Sukdeb; Mukhopadhyay, Sibabrata","Redetermination of 14-deoxyandrographolide","Acta Crystallographica Section E","2005","61","8","o2743","o2745","10.1107/S1600536805023378","","","0.71069","MoKα","","0.0513","0.0416","","","0.1076","0.1119","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206582","6.5236","0.0005","17.5861","0.0014","9.0279","0.0007","90","","94.71","0.001","90","","1032.23","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Methoxycarbonyl-D-glucosaminide","(1,3,4,-Tri-hydroxy-6-hydroxymethyl-tetrahydropyran-2-yl)methyl carbamate","","- C8 H15 N O7 -","- C8 H15 N O7 -","- C32 H60 N4 O28 -","4","2","WN6361","Shahid Iqbal Awan; M. Iqbal Choudhary; Atta-ur-Rahman; Shazia Anjum; Shamsher Ali; Hoong-Kun Fun","Methyl [2,4,5-trihydroxy-6-(hydroxymethyl)perhydropyran-3-yl]carbamate","Acta Crystallographica Section E","2005","61","8","o2354","o2356","10.1107/S1600536805020374","","","0.71073","MoKα","","0.0311","0.0304","","","0.077","0.0782","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206588","11.7262","0.0013","7.6968","0.0007","11.8788","0.0013","90","","109.97","0.005","90","","1007.65","0.18","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,4S,5S)-2,5-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane dichloride methanol solvate","","- C21 H30 Cl2 N2 O -","- C21 H30 Cl2 N2 O -","- C42 H60 Cl4 N4 O2 -","2","1","WN6368","Qiu, Li-Hua; Yang, Wen; Zhang, Yawen; Zhang, De-Chun","(1S,2S,4S,5S)-2,5-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane dichloride methanol solvate","Acta Crystallographica Section E","2005","61","8","o2668","o2670","10.1107/S1600536805022762","","","0.7107","MoKα","","0.0434","0.0432","","","0.1279","0.128","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206599","4.2588","0.0008","10.93","0.002","13.724","0.003","90","","95.733","0.003","90","","635.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Dibromo-9-ethyl-9H-carbazole","","- C14 H11 Br2 N -","- C14 H11 Br2 N -","- C28 H22 Br4 N2 -","2","1","XU6016","Huang, Peng-Mian; Li Jiang-Sheng; Duan Xue-Min; Zeng Tao; Yan Xi-Long","3,6-Dibromo-9-ethyl-9H-carbazole","Acta Crystallographica Section E","2005","61","8","o2366","o2367","10.1107/S1600536805020490","","","0.71073","MoKα","","0.055","0.039","","","0.087","0.094","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206615","7.287","0.002","26.569","0.009","7.294","0.003","90","","95.59","0.007","90","","1405.5","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione hemihydrate","","- C18 H15 O3.5 -","- C18 H15 O3.5 -","- C72 H60 O14 -","4","2","AC6189","Zhi-Yun Du; Jiang-Ke Qin; Xue-Pu Mao; Lin Ma; Lian-Quan Gu","1,2-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione hemihydrate","Acta Crystallographica Section E","2005","61","9","o2937","o2938","10.1107/S1600536805025365","","","0.71073","MoKα","","0.0631","0.0365","","","0.0898","0.1042","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206658","7.9738","0.0017","36.351","0.008","11.875","0.003","90","","92.012","0.003","90","","3439.9","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3β-E-feruloyllupeol","1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethylicosahydro-1H-cyclopenta[a]chrysen- 9-yl 4-hydroxy-3-methoxycinnamate","","- C40 H58 O4 -","- C40 H58 O4 -","- C160 H232 O16 -","4","2","CI6628","Charoen Pakhathirathien; Suchada Chantrapromma; Hoong-Kun Fun; Shazia Anjum; Attar-ur-Rahman; Chachanok Karalai","1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethylicosahydro-1H-cyclopenta[a]chrysen-9-yl 4-hydroxy-3-methoxycinnamate","Acta Crystallographica Section E","2005","61","9","o2942","o2944","10.1107/S1600536805025584","","","0.71073","MoKα","","0.0992","0.0893","","","0.2562","0.2642","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206675","10.4874","0.0006","6.5998","0.0003","10.7986","0.0004","90","","106.57","0.002","90","","716.38","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(2,2'-bipyridine-κ^2^N,N')(L-malato-κ^3^O,O',O'')copper(II)","","- C14 H14 Cu N2 O6 -","- C14 H14 Cu N2 O6 -","- C28 H28 Cu2 N4 O12 -","2","1","CV6564","He, Long","Aqua(2,2'-bipyridine-κ^2^N,N')(L-malato-κ^3^O,O',O'')copper(II)","Acta Crystallographica Section E","2005","61","9","m1752","m1754","10.1107/S1600536805025274","","","0.71069","MoKα","","0.0296","0.0277","","","0.069","0.0698","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206684","3.9754","0.0008","9.79","0.002","17.958","0.004","90","","92.91","0.03","90","","698","0.3","105","2","105","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","ER6020","Arrieta, Antonio F.; Arvid Mostad.","Weak hydrogen bonds in 5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione","Acta Crystallographica Section E","2005","61","9","o3011","o3013","10.1107/S1600536805026140","","","0.71073","MoKα","","0.0292","0.0284","","","0.0766","0.0793","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206736","8.6596","0.0017","22.247","0.004","15.891","0.003","90","","105.314","0.003","90","","2952.7","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S*,16S*,20R*,22R*,24S*)-3,22,25-Trihydroxy-16,24:20,24-diepoxycholest- 5-en-3-yl acetate methanol solvate","","- C30 H48 O7 -","- C30 H48 O7 -","- C120 H192 O28 -","4","2","LH6462","Zhang, Wen; Yao, Guang-Min; Guo, Yue-Wei","(3S*,16S*,20R*,22R*,24S*)-3,22,25-Trihydroxy-16,24:20,24-diepoxycholest-5-en-3-yl acetate methanol solvate","Acta Crystallographica Section E","2005","61","9","o2884","o2886","10.1107/S160053680502489X","","","0.71073","MoKα","","0.1868","0.0712","","","0.1432","0.1732","","","","","","0.769","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206749","10.3839","0.0002","10.4574","0.0002","19.031","0.0005","90","","103.806","0.0009","90","","2006.84","0.08","190","","190","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-C-Benzyloxymethyl-2,3:5,6-di-O-isopropylidene-D-allono-1,4-lactone","","- C20 H26 O7 -","- C20 H26 O7 -","- C80 H104 O28 -","4","2","LH6489","David J. Watkin; Loren L. Parry; Raquel Soengas; Ken Izumori; George W. J. Fleet","2-C-Benzyloxymethyl-2,3:5,6-di-O-isopropylidene-D-allono-1,4-lactone","Acta Crystallographica Section E","2005","61","9","o2955","o2957","10.1107/S1600536805025791","","","0.71073","MoKα","","0.0492","0.0492","","0.0966","0.0966","0.0966","","","","","","0.9528","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206794","6.912","0.001","10.751","0.001","12.08","0.002","90","","103.18","0.01","90","","874","0.2","286","2","286","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4,8,11b-tetramethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro- 1H,9H-6a:7,10a:11-diepoxyphenanthro[3,2-b]furan-9-one","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","SU6216","Bai, Su-Ping; Zhu, Zhen-Fu; Yang, Li","An ent-abietane diterpenoid from Doellingeria scaber","Acta Crystallographica Section E","2005","61","9","o2853","o2855","10.1107/S1600536805025171","","","0.71073","MoKα","","0.061","0.0397","","","0.0818","0.0883","","","","","","0.888","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206813","3.825","0.0008","6.241","0.0012","18.988","0.004","90","","95.25","0.03","90","","451.38","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","para-fluorobenzalhydantoin","5-(4-Fluorobenzylidene)imidazolidine-2,4-dione","","- C10 H7 F N2 O2 -","- C10 H7 F N2 O2 -","- C20 H14 F2 N4 O4 -","2","1","WW6390","Jia, Hong-Hua; Ni, Fang; Wang, Jun; Wei, Ping; Ouyang, Ping-Kai","5-(4-Fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section E","2005","61","9","o2784","o2786","10.1107/S1600536805024104","","","0.71073","MoKα","","0.057","0.0397","","","0.102","0.114","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206823","10.029","0.002","7.486","0.0015","15.608","0.003","90","","100.26","0.03","90","","1153.1","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-3-[(1-Ethoxycarbonyl-2-phenylethyl)amino]-1-ferrocenylbut-2-en-1-one","(S)-ethyl 2-[1-(1-ferrocenylcarbonyl)prop-1-en-2-ylamino]-3-phenylpropionate","","- C25 H27 Fe N O3 -","- C25 H27 Fe N O3 -","- C50 H54 Fe2 N2 O6 -","2","1","XU6035","Yao-Cheng Shi; Chun-Xia Sui; Jin-Juan Wu","(S)-3-[(1-Ethoxycarbonyl-2-phenylethyl)amino]-1-ferrocenylbut-2-en-1-one","Acta Crystallographica Section E","2005","61","9","m1878","m1879","10.1107/S1600536805026978","","","0.71073","MoKα","","0.074","0.044","","","0.109","0.121","","","","","","1.044","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206842","8.3764","0.0003","5.9861","0.0002","10.469","0.0004","90","","110.034","0.0012","90","","493.17","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,5-O-Isopropylidene-2-C-methyl-D-xylonolactone","","- C9 H14 O5 -","- C9 H14 O5 -","- C18 H28 O10 -","2","1","AT6030","David J. Watkin; Loren L. Parry; David J. Hotchkiss; Vanessa Eastwick-Field; George W. J. Fleet","3,5-O-Isopropylidene-2-C-methyl-D-xylonolactone","Acta Crystallographica Section E","2005","61","10","o3302","o3303","10.1107/S1600536805028837","","","0.71073","MoKα","","0.0442","0.0442","","0.0744","0.0744","0.0744","","","","","","0.9378","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206889","6.925","0.004","7.025","0.004","11.733","0.008","90","","103.44","0.03","90","","555.2","0.6","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S)-3-benzyloxymethyl-1,4-dioxane-2,5-dione","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","1","BT6747","Kooijman, Huub; Leemhuis, Mark; Nostrum, Cornelus F. van; Hennink, Wim E.; Spek, Anthony L.","(3S)-3-Benzyloxymethyl-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2005","61","10","o3480","o3481","10.1107/S1600536805030564","","","0.71073","MoKα","","0.0584","0.043","","","0.0943","0.1022","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206918","6.9215","0.0013","7.7539","0.0016","15.797","0.003","90","","91.858","0.003","90","","847.4","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-N-n-propyl-2-(2'-nitro benzenesulphonyl)glutamine","","- C14 H19 N3 O7 S -","- C14 H19 N3 O7 S -","- C28 H38 N6 O14 S2 -","2","1","CI6653","Xiao, Yong-Jun; Wang, Jian-Guo; Li, Zheng-Ming; Song, Hai-Bin","N^2^-(2-Nitrophenylsulfonyl)-N^5^-n-propylglutamine","Acta Crystallographica Section E","2005","61","10","o3461","o3463","10.1107/S1600536805030114","","","0.71073","MoKα","","0.0347","0.0287","","","0.0645","0.0685","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206954","13.0985","0.0004","10.7801","0.0004","17.0783","0.0006","90","","102.44","0.003","90","","2354.89","0.14","297","1","297","1","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(S,S)-1,2-dimethoxy-1,2-bis(1-methyl-1H-benzimidazol-2- yl)ethane]palladium(II) dichloride","","- C40 H44 Cl2 N8 O4 Pd -","- C40 H44 Cl1.05 N8 O4 Pd -","- C80 H88 Cl2.1 N16 O8 Pd2 -","2","1","HB6256","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Bis[(S,S)-1,2-dimethoxy-1,2-bis(1-methyl-1H-benzimidazol-2-yl)ethane]palladium(II) dichloride","Acta Crystallographica Section E","2005","61","10","m1991","m1994","10.1107/S1600536805028242","","","0.71073","MoKα","","0.0526","0.0509","","","0.1539","0.1565","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206971","12.3847","0.0003","7.4853","0.0004","12.3351","0.0003","90","","128.764","0.004","90","","891.63","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","10-(3-Acetamidobenzylidene)anthrone","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C46 H34 N2 O4 -","2","1","HG6234","Zhou, Wei; Hu, Wei-Xiao; Xia, Chun-Nian; Chen, Min-Qin","10-(3-Acetamidobenzylidene)anthrone","Acta Crystallographica Section E","2005","61","10","o3170","o3171","10.1107/S1600536805027601","","","0.71073","MoKα","","0.0762","0.0506","","","0.11","0.1505","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206991","11.547","0.005","9.113","0.004","12.801","0.005","90","","101.651","0.008","90","","1319.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Benzaldehyde 1-(2,3,4,6-tetra-O-acetyl-β-D- galactopyranosyl)thiosemicarbazone","","- C22 H27 N3 O9 S -","- C22 H27 N3 O9 S -","- C44 H54 N6 O18 S2 -","2","1","IS6124","Shu-Sheng Zhang; Bo Yang; Hui-Xiang Li; Xue-Mei Li","Benzaldehyde 1-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)thiosemicarbazone","Acta Crystallographica Section E","2005","61","10","o3478","o3479","10.1107/S1600536805030308","","","0.71073","MoKα","","0.1083","0.0628","","","0.1111","0.1318","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207068","8.1791","0.0005","9.2534","0.0004","31.556","0.002","90","","91.637","0.003","90","","2387.3","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichlorobis[(-)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole]nickel(II)","","- C22 H24 Cl2 N4 Ni S2 -","- C22 H24 Cl2 N4 Ni S2 -","- C88 H96 Cl8 N16 Ni4 S8 -","4","2","SU6211","Javier A. Cabeza; Ignacio del Río; Gabriela Sánchez-Vega; Santiago García-Granda","Dichlorobis[(S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole]nickel(II)","Acta Crystallographica Section E","2005","61","10","m1984","m1985","10.1107/S1600536805027893","","","1.5418","CuKα","","0.1032","0.0755","","","0.185","0.2448","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207094","8.0012","0.0002","4.6257","0.0001","17.1148","0.0005","90","","96.413","0.001","90","","629.47","0.03","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one","","- C15 H12 Br N O -","- C15 H12 Br N O -","- C30 H24 Br2 N2 O2 -","2","1","WN6384","S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; R. Santhi; Hoong-Kun Fun","1-(4-Aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","10","o3514","o3516","10.1107/S1600536805030783","","","0.71073","MoKα","","0.0356","0.0302","","","0.0804","0.0884","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207174","4.9309","0.0002","11.7571","0.0004","8.7944","0.0003","90","","99.8608","0.0014","90","","502.31","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-Methyl-3,6-dinitrophenyl)acetamide","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C18 H18 N6 O10 -","2","1","CF6468","Watkin, David J.; Motherwell, W. D. S.; Cooper, Richard I.; Pantos, Stefan; Steadman, Oliver I.","N-(2-Methyl-3,6-dinitrophenyl)acetamide","Acta Crystallographica Section E","2005","61","11","o3888","o3890","10.1107/S1600536805034355","","","0.71073","MoKα","","0.0242","0.0242","","0.0615","0.0615","0.0615","","","","","","1.0942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207207","13.7023","0.0004","6.3493","0.0002","15.6206","0.0005","90","","101.721","0.001","90","","1330.66","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4S,5S,10S,13R,14R,17R)-8α,9α-Epoxy-4α,14α-dimethyl-5α-cholestan-3-one","","- C29 H48 O2 -","- C29 H48 O2 -","- C58 H96 O4 -","2","1","DN6257","Mazoir, N; Giorgi, M.; Benharref, A.","(4S,5S,10S,13R,14R,17R)-8α,9α-Epoxy-4α,14α-dimethyl-5α-cholestan-3-one","Acta Crystallographica Section E","2005","61","11","o3709","o3711","10.1107/S1600536805032460","","","0.71073","MoKα","","0.0914","0.0711","","","0.156","0.1716","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207221","4.7858","0.0003","12.401","0.0007","17.5319","0.001","90","","95.679","0.005","90","","1035.39","0.11","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-acetate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C40 H36 N4 O12 S4 -","4","2","FL6193","Mehmet Akkurt; Sema Öztürk Yıldırım; Yamna Baryala; Abdelfettah Zerzouf; Essassi, El-Mokhtar; Orhan Büyükgüngör","Methyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-acetate","Acta Crystallographica Section E","2005","61","11","o3872","o3873","10.1107/S1600536805034264","","","0.71073","MoKα","","0.0551","0.0403","","","0.1025","0.1094","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207226","7.481","0.006","8.2693","0.0012","9.859","0.003","90","","108.76","0.06","90","","577.5","0.5","120","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","calcium octaborate tetrahydroxide","","- B8 Ca H4 O15 -","- B8 Ca H4 O15 -","- B16 Ca2 H8 O30 -","2","1","HB6258","Wiggin, Seth B.; Weller, Mark T.","Redetermination of CaB~8~O~11~(OH)~4~ at low temperature","Acta Crystallographica, Section E","2005","61","11","i243","i245","10.1107/S1600536805029296","","","0.71073","MoKα","","","0.034","","","","0.0752","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207240","7.0335","0.0007","10.2471","0.0008","9.484","0.0008","90","","106.83","0.006","90","","654.26","0.1","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-Poly[[chloro(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')cadmium(II)]- μ-glycinato-κ^2^N,O:O']","","- C8 H10 Cd Cl N5 O2 S2 -","- C8 H10 Cd Cl N5 O2 S2 -","- C16 H20 Cd2 Cl2 N10 O4 S4 -","2","1","HB6286","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","catena-Poly[[chloro(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')cadmium(II)]-μ-glycinato-κ^2^N,O:O']","Acta Crystallographica Section E","2005","61","11","m2291","m2293","10.1107/S1600536805032071","","","0.71073","MoKα","","0.014","0.014","","","0.033","0.034","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207242","10.8194","0.0015","9.0434","0.0015","16.998","0.002","90","","96.89","0.012","90","","1651.1","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris(L-argininium) hexafluorochromate(III) trihydrate","","- C18 H51 Cr F6 N12 O9 -","- C18 H51 Cr F6 N12 O9 -","- C36 H102 Cr2 F12 N24 O18 -","2","1","HB6288","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","Tris(L-argininium) hexafluorochromate(III) trihydrate","Acta Crystallographica Section E","2005","61","11","m2459","m2461","10.1107/S160053680503504X","","","0.71073","MoKα","","0.0386","0.0278","","","0.0721","0.0758","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2207248","11.585","0.002","6.242","0.001","12.313","0.002","90","","99.73","0.01","90","","877.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Neridienone A","12β-hydroxypregna-4,6,16-triene-3,20-dienone","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","HG6249","Kumar, Rishi; Sagar, Ram; Shaw, Arun K.; Maulik, Prakas R.","Neridienone A, a pregnane from the roots of Nerium oleander","Acta Crystallographica Section E","2005","61","11","o3905","o3907","10.1107/S1600536805034446","","","0.71073","MoKα","","0.0667","0.0435","","","0.0878","0.0969","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207254","9.3233","0.0008","4.9446","0.0005","10.2051","0.001","90","","91.388","0.005","90","","470.32","0.08","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Phenoxymethyl-1,3,4-oxadiazole-2(3H)-thione","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C18 H16 N4 O4 S2 -","2","1","HG6256","Thamotharan, S.; Parthasarathi, V.; Anandha Babu, G.; Hunnur, Raveendra K.; Badami, Bharati; Linden, Anthony","5-Phenoxymethyl-1,3,4-oxadiazole-2(3H)-thione","Acta Crystallographica Section E","2005","61","11","o3746","o3747","10.1107/S1600536805033027","","","0.71073","MoKα","","0.0623","0.0465","","","0.0977","0.1046","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207292","6.236","0.002","13.263","0.004","8.667","0.003","90","","110.74","0.005","90","","670.4","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(1-Cyano-1-methylbutyl)-1,2,3-benzothiadiazole-7-carboxamide","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C26 H28 N8 O2 S2 -","2","1","LH6515","Ying-Wei Ai; Feng-Li Liu; Zhi-Jin Fan; Hai-Bin Song; Kai-Sheng Nie","N-(1-Cyano-1-methylbutyl)-1,2,3-benzothiadiazole-7-carboxamide","Acta Crystallographica Section E","2005","61","11","o3891","o3892","10.1107/S1600536805034379","","","0.71073","MoKα","","0.0487","0.0403","","","0.1001","0.1066","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207299","15.665","0.005","5.47","0.002","17.147","0.007","90","","108.233","0.009","90","","1395.5","0.9","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-2-aminobutyric acid","2-(L-alanylamino)-L-butyric acid","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C42 H84 N12 O18 -","6","3","LH6522","Görbitz, Carl Henrik","2-(L-Alanylamino)-L-butyric acid","Acta Crystallographica Section E","2005","61","11","o3735","o3737","10.1107/S1600536805032630","","","0.71073","MoKα","","0.1407","0.066","","","0.1219","0.1452","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207328","11.2407","0.0018","5.0994","0.0008","13.412","0.002","90","","103.499","0.003","90","","747.5","0.2","292","2","292","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[R-(R*,S*)]-2,2-Dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4- (methylsulfonyl)phenyl]ethylacetamide","","- C12 H13 Cl2 F N O4 S -","- C12 H13 Cl2 F N O4 S -","- C24 H26 Cl4 F2 N2 O8 S2 -","2","1","RN6067","Jing Cheng; Neng-Xue Wang; Guang-Fu Yang","2,2-Dichloro-N-{[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide","Acta Crystallographica Section E","2005","61","11","o3628","o3629","10.1107/S1600536805031831","","","0.71073","MoKα","","0.067","0.0531","","","0.1336","0.1549","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207333","8.082","0.003","5.0983","0.0016","16.034","0.005","90","","98.424","0.005","90","","653.5","0.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-N-(1-Benzyl-2-hydroxyethyl)benzamide","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","RZ6129","Cai, Yi-Min; Fang, Hua; Jin, Yi; Zeng, Qing-Le; Zhao, Yu-Fen","(S)-N-(1-Benzyl-2-hydroxyethyl)benzamide","Acta Crystallographica Section E","2005","61","11","o3912","o3913","10.1107/S160053680503477X","","","0.71073","MoKα","","0.0356","0.0343","","","0.0878","0.0889","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207359","5.3976","0.0006","6.7062","0.0008","12.1098","0.0014","90","","102.807","0.002","90","","427.44","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-fluorouracil‒2,2,2-trifluoroethanol (1/1)","","- C6 H6 F4 N2 O3 -","- C6 H6 F4 N2 O3 -","- C12 H12 F8 N4 O6 -","2","1","TK6270","Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil‒2,2,2-trifluoroethanol (1/1)","Acta Crystallographica Section E","2005","61","11","o3661","o3663","10.1107/S1600536805032198","","","0.71073","MoKα","","0.028","0.028","","","0.073","0.074","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207360","5.0135","0.0006","20.636","0.002","6.966","0.001","90","","99.28","0.01","90","","711.26","0.15","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Nitro-N-(8-quinolyl)benzenesulfonamide","","- C15 H11 N3 O4 S -","- C15 H11 N3 O4 S -","- C30 H22 N6 O8 S2 -","2","1","TK6271","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","4-Nitro-N-(8-quinolyl)benzenesulfonamide","Acta Crystallographica Section E","2005","61","11","o3778","o3779","10.1107/S1600536805032691","","","1.5418","CuKα","","0.055","0.055","","","0.148","0.15","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207438","3.8486","0.0005","5.818","0.001","25.437","0.004","90","","91.408","0.012","90","","569.39","0.15","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-5-(4-Chlorophenyldiazenyl)salicylaldehyde","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C26 H18 Cl2 N4 O4 -","2","1","BH6039","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(E)-5-(4-Chlorophenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2005","61","12","o4149","o4150","10.1107/S1600536805036810","","","0.71073","MoKα","","0.0684","0.0549","","","0.1378","0.1487","","","","","","0.976","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207440","3.8914","0.0006","5.8043","0.0005","25.745","0.004","90","","92.101","0.012","90","","581.11","0.14","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-5-(4-Bromophenyldiazenyl)salicylaldehyde","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C26 H18 Br2 N4 O4 -","2","1","BH6041","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(E)-5-(4-Bromophenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2005","61","12","o4151","o4153","10.1107/S1600536805036822","","","0.71073","MoKα","","0.0366","0.0332","","","0.078","0.0799","","","","","","1.069","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207458","9.677","0.002","5.291","0.001","12.818","0.003","90","","106.45","0.03","90","","629.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-(-)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","BT6787","Gzella, Andrzej; Żwawiak, Justyna; Zaprutko, Lucjusz","(S)-(-)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","Acta Crystallographica, Section E","2005","61","12","o4232","o4231","10.1107/S1600536805037931","","","1.54178","CuKα","","0.0569","0.0441","","","0.116","0.1231","","","","","","1.093","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207463","10.4483","0.0012","10.2152","0.0012","11.6877","0.0013","90","","94.506","0.002","90","","1243.6","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,1S)-1-tert-Butyldiphenylsiloxy-3-hydroxy-3-isopropenyl-1,2,3,4- tetrahydronaphthalene","","- C29 H34 O2 Si -","- C29 H34 O2 Si -","- C58 H68 O4 Si2 -","2","1","BT6798","Fan, Eric; Lowary, Todd L.; Ferguson, Michael J.","(1S,3S)-1-tert-Butyldiphenylsiloxy-3-hydroxy-3-isopropenyl-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2005","61","12","o4295","o4297","10.1107/S1600536805037736","","","0.71073","MoKα","","0.0458","0.0382","","","0.0915","0.0951","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207482","7.96","0.003","5.4531","0.0017","12.142","0.004","90","","95.379","0.006","90","","524.7","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4S)-4-Amino-5-phenylpentane-1,3-diol","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C22 H34 N2 O4 -","2","1","CI6669","Tan, Bin; Fang, Hua; Huang, Rong-Bin; Wei, Zan-Bin; Jin, Li-Ren","(3S,4S)-4-Amino-5-phenylpentane-1,3-diol","Acta Crystallographica Section E","2005","61","12","o4382","o4383","10.1107/S1600536805036421","","","0.71073","MoKα","","0.0345","0.0342","","","0.0996","0.1001","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207504","7.9578","0.0013","7.0567","0.0012","15.642","0.003","90","","100.483","0.003","90","","863.7","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","t-3-Methyl-1-nitroso-r-2,c-6-diphenylpiperidin-4-one oxime monohydrate","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C36 H42 N6 O6 -","2","1","CI6707","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Pandiarajan, K.; Muthukumaran, G.","t-3-Methyl-1-nitroso-r-2,c-6-diphenylpiperidin-4-one oxime monohydrate","Acta Crystallographica Section E","2005","61","12","o4348","o4350","10.1107/S1600536805038444","","","0.71073","MoKα","","0.0526","0.0499","","","0.1337","0.1364","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207587","6.2189","0.0012","6.4643","0.0013","12.79","0.003","90","","101.8","0.03","90","","503.3","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Aminocarbonyl)ethylammonium hydrogensquarate monohydrate","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C14 H24 N4 O12 -","2","1","LH6527","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","1-(Aminocarbonyl)ethylammonium hydrogensquarate monohydrate","Acta Crystallographica Section E","2005","61","12","o4292","o4294","10.1107/S1600536805038079","","","0.71073","MoKα","","0.0687","0.0493","","","0.1218","0.1344","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207595","9.691","0.003","5.2631","0.0017","17.297","0.006","90","","90.752","0.005","90","","882.2","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ethyl L-glutamate","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C28 H52 N4 O16 -","4","2","LH6541","Wu, Yong-Fei; Xiao Fengping; Jin, Long-Fei; Li, Fen-Fang; Dai, Xu-Ya","5-Ethyl L-glutamate","Acta Crystallographica Section E","2005","61","12","o4028","o4029","10.1107/S1600536805035919","","","0.71073","MoKα","","0.0748","0.0602","","","0.1636","0.1778","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207611","9.6835","0.0016","5.2925","0.0013","12.823","0.002","90","","106.47","0.015","90","","630.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-(+)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","NC6059","Gzella, Andrzej; Zwawiak, Justyna; Zaprutko, Lucjusz","(R)-(+)-3-Chlor-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","Acta Crystallographica Section E","2005","61","12","o4071","o4072","10.1107/S1600536805036275","","","1.54178","CuKα","","0.0292","0.0267","","","0.0738","0.0756","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207717","5.5926","0.0012","8.8449","0.0019","16.442","0.004","90","","97.536","0.003","90","","806.3","0.3","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-Furylmethylene)-2-(4-morpholino)-1-phenyl-1H-imidazol-4(5H)-one","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C36 H34 N6 O6 -","2","1","AT6062","Mao Xin; Yang-Gen Hu","4-(2-Furylmethylene)-2-(4-morpholino)-1-phenyl-1H-imidazol-4(5H)-one","Acta Crystallographica Section E","2006","62","1","o123","o124","10.1107/S1600536805040481","","","0.71073","MoKα","","0.0518","0.0444","","","0.0955","0.0992","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207725","3.7249","0.0014","11.281","0.004","6.298","0.002","90","","91.936","0.007","90","","264.49","0.16","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazinic acid","pyrazine-2-carboxylic acid","","- C5 H4 N2 O2 -","- C5 H4 N2 O2 -","- C10 H8 N4 O4 -","2","1","BH6050","Shi, Xue-Fang; Wu, Li; Xing, Zhi-Yong","A monoclinic polymorph of pyrazinic acid","Acta Crystallographica Section E","2006","62","1","o15","o17","10.1107/S160053680503953X","","","0.71073","MoKα","","0.0609","0.0372","","","0.069","0.0791","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207729","7.499","0.005","7.835","0.003","10.624","0.007","90","","107.37","0.08","90","","595.7","0.7","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-Phenyl 4-cyanothiobenzoate","","- C14 H9 N O S -","- C14 H9 N O S -","- C28 H18 N2 O2 S2 -","2","1","BT6793","Bojidarka B. Ivanova; Michail G. Arnaudov; William S. Sheldrick; Heike Mayer-Figge","S-Phenyl 4-cyanothiobenzoate","Acta Crystallographica Section E","2006","62","1","o3","o4","10.1107/S1600536805039267","","","0.71073","MoKα","","0.0419","0.0329","","","0.0733","0.0774","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207750","9.029","0.003","14.891","0.007","9.8459","0.0017","90","","117.588","0.018","90","","1173.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(1,2-Diphenylvinyl)-2-methyl-1-phenylsulfonyl-1H-indole","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C58 H46 N2 O4 S2 -","2","1","CI6719","K. Palani; P. Jaisankar; P. C. Srinivasan; M. N. Ponnuswamy","3-(1,2-Diphenylvinyl)-2-methyl-1-phenylsulfonyl-1H-indole","Acta Crystallographica Section E","2006","62","1","o271","o273","10.1107/S1600536805041607","","","0.71073","MoKα","","0.0622","0.0522","","","0.1298","0.1371","","","","","","1.064","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207759","8.389","0.001","14.755","0.001","14.473","0.002","90","","100.47","0.01","90","","1761.6","0.3","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(+)-1-[(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionyl]- 4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)- 1,3-dioxolan-4-yl]methoxy}phenyl)piperazine methanol solvate","","- C35 H37 Cl2 F3 N4 O6 -","- C35 H37 Cl2 F3 N4 O6 -","- C70 H74 Cl4 F6 N8 O12 -","2","1","CV6612","Oswald M. Peeters; Prasad L. Polavarapu; Peng Zhang; Lajos Gera; Joseph Gal","(+)-1-[(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionyl]-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine methanol solvate","Acta Crystallographica Section E","2006","62","1","o191","o192","10.1107/S1600536805041048","","","1.54178","CuKα","","0.0937","0.0609","","0.1857","","0.1857","","","1.065","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207783","5.653","0.0007","8.0292","0.0009","25.49","0.003","90","","90.906","0.005","90","","1156.8","0.2","295","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Phenyl-6-(p-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2H- pyrano[3,2-d][1,3]dioxine-7,8-diyl diacetate","","- C24 H26 O7 S -","- C24 H26 O7 S -","- C48 H52 O14 S2 -","2","1","HG6274","Zhou, Feng-Yan; Zhou, Feng-Yan; Zhong, Jian-Hua","2-Phenyl-6-(p-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[3,2-d][1,3]dioxane-7,8-diyl diacetate","Acta Crystallographica, Section E: Structure Reports Online","2006","62","1","o266","o267","10.1107/S1600536805039176","","","0.7107","MoKα","","","0.088","","","","0.163","","","","","","1","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2207802","10.92","0.004","4.9902","0.0017","27.926","0.01","90","","94.085","0.008","90","","1517.9","0.9","123.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylammonium N-tetradecanoyl-L-phenylalaninate monohydrate","","- C31 H50 N2 O4 -","- C31 H50 N2 O4 -","- C62 H100 N4 O8 -","2","1","IS6153","Ogawa, Toshikazu; Ohta, Akio; Hata, Yoshitoki; Miyagishi, Shigeyoshi; Kunimoto, Ko-Ki","(R)-1-Phenylethylammonium N-tetradecanoyl-L-phenylalaninate monohydrate","Acta Crystallographica Section E","2006","62","1","o153","o155","10.1107/S1600536805040511","","","0.7107","MoKα","","","0.0679","","","","0.1513","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207820","6.6145","0.0002","11.1194","0.0004","15.0252","0.0008","90","","91.6306","0.0013","90","","1104.65","0.08","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-C-Azidomethyl-2-deoxy-3,4-O-isopropylidene-D-ribono-1,5-lactone","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","LH2002","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; da Cruz, Filipa P.; Fleet, George W. J.","2-C-Azidomethyl-2-deoxy-3,4-O-isopropylidene-D-ribono-1,5-lactone","Acta Crystallographica Section E","2006","62","1","o321","o323","10.1107/S1600536805041632","","","0.71073","MoKα","","0.0941","0.0469","","0.1288","0.0871","0.1288","","","","","","1.0765","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207848","9.2278","0.0013","9.6269","0.0014","13.172","0.0019","90","","99.736","0.002","90","","1153.3","0.3","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(3RS)-3-(4-Chlorophenyl)heptoyl]bornane-10,2-sultam","","- C23 H32 Cl N O3 S -","- C23 H32 Cl N O3 S -","- C46 H64 Cl2 N2 O6 S2 -","2","1","OB6600","Cao, Xiu-Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng-Hua","N-[(3RS)-3-(4-Chlorophenyl)heptanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","1","o241","o242","10.1107/S1600536805041176","","","0.71073","MoKα","","0.0628","0.0514","","","0.114","0.1197","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207862","11.689","0.003","12.283","0.003","13.223","0.003","90","","95.771","0.004","90","","1888.9","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Methylpyrimidin-2-yl)di-1,2,3-benzothiadiazole-7-carboximide","","- C19 H11 N7 O2 S2 -","- C19 H11 N7 O2 S2 -","- C76 H44 N28 O8 S8 -","4","2","RZ6144","Ying-Wei Ai; Yong-Gang Zhang; Feng-Li Liu; Hai-Bin Song; Zhi-Jin Fan","N-(4-Methylpyrimidin-2-yl)bis(1,2,3-benzothiadiazole-7-carbonyl)amine","Acta Crystallographica Section E","2006","62","1","o101","o103","10.1107/S1600536805040183","","","0.71073","MoKα","","0.0701","0.0409","","","0.0924","0.1073","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207887","6.0049","0.0004","14.6876","0.0005","11.8412","0.0007","90","","99.19","0.002","90","","1030.96","0.1","150","1","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-Acetyl-12-methoxy horminone","7-acetyl-12-methoxyabiet-8,12-diene-11,14-dione","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","SJ6171","Bakir, Mohammed; Biggs, Duanne A. C.; Alan Lough; Mulder, Willem H.; William Reynolds; Porter, Roy B.","7-Acetyl-12-methoxyhorminone from Jamaican Hyptis verticillata (Labiatae)","Acta Crystallographica Section E","2006","62","1","o306","o308","10.1107/S1600536805039693","","","0.71073","MoKα","","0.0565","0.0401","","","0.0893","0.0986","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207924","7.589","0.002","23.491","0.007","8.929","0.002","90","","96.287","0.005","90","","1582.2","0.7","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-1-(4-Ethoxy-3-methoxybenzylidene)-2-(4-nitrophenyl)hydrazine","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C64 H68 N12 O16 -","4","2","WN2002","Shi, Jun","(E)-1-(4-Ethoxy-3-methoxybenzylidene)-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","1","o171","o173","10.1107/S1600536805039097","","","0.71073","MoKα","","0.097","0.0512","","","0.1234","0.1456","","","","","","1.138","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207996","11.542","0.002","8.793","0.002","14.095","0.002","90","","102.14","0.01","90","","1398.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","13(R)-9β-methyl-1(10),14-diene-friedlabda-13-O-α-L-2'- acetylrhamonopyanoside","3-methyl-5-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydronaphthyl)pent- 1-en-3-yl 2-O-acetylrhamnopyanoside","","- C28 H46 O6 -","- C28 H46 O6 -","- C56 H92 O12 -","2","1","CF6490","Ying Zhu; Cai-Xia Yang; Zhong-Jian Jia","A rearranged labdane diterpene glycoside","Acta Crystallographica Section E","2006","62","2","o762","o764","10.1107/S1600536806002418","","","0.71073","MoKα","","0.076","0.0376","","","0.0734","0.0822","","","","","","0.813","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208008","7.875","0.001","7.87","0.001","15.139","0.003","90","","93.335","0.015","90","","936.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-Oxotetrahydropalmatine","2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquino[3,2-a]isoquinolin-8-one","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C42 H46 N2 O10 -","2","1","CI6741","Xiao-Ling Wang","8-Oxotetrahydropalmatine","Acta Crystallographica Section E","2006","62","2","o498","o499","10.1107/S1600536806000080","","","0.71073","MoKα","","0.067","0.0413","","","0.0945","0.1028","","","","","","0.917","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208009","10.5344","0.0003","9.7241","0.0004","15.1999","0.0006","90","","99.594","0.002","90","","1535.26","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methoxy-N-[2-(3-thienyl)-1,2,3,4-tetrahydro-1-naphthyl)acetamide","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","2","CI6742","Dockendorff, Chris; Lautens, Mark; Lough, Alan J.","2-Methoxy-N-[2-(3-thienyl)-1,2,3,4-tetrahydro-1-naphthyl]acetamide","Acta Crystallographica Section E","2006","62","2","o639","o641","10.1107/S1600536806001036","","","0.71073","MoKα","","0.1169","0.0594","","","0.1303","0.1577","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208015","10.3234","0.0017","5.2159","0.0009","15.448","0.003","90","","98.341","0.002","90","","823","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[1-Hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-2-oxo- 2H-chromene-3-carboxamide","","- C15 H17 N O5 S2 -","- C15 H17 N O5 S2 -","- C30 H34 N2 O10 S4 -","2","1","CI6749","Xiao-Feng Cheng; Li-Qiang Cao; Wen-Bin Chen; Hai-Bin Song","N-[1-Hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide","Acta Crystallographica Section E","2006","62","2","o721","o723","10.1107/S160053680600208X","","","0.71073","MoKα","","0.0337","0.0293","","","0.0694","0.0724","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208022","7.9887","0.0011","8.0574","0.0007","11.842","0.0011","90","","94.223","0.01","90","","760.18","0.14","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-[1-(1-Naphthyl)ethyl]salicylaldimine","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","CV6617","Iglesias, Ana L.; Aguirre, Gerardo; Somanathan, Ratnasamy; Parra-Hake, Miguel","(R)-(‒)-[1-(1-Naphthyl)ethyl]salicylaldimine","Acta Crystallographica Section E","2006","62","2","o390","o392","10.1107/S1600536805042443","","","0.71073","MoKα","","0.0865","0.0499","","","0.1105","0.1299","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208080","11.973","0.001","5.5395","0.0004","11.9869","0.001","90","","90.158","0.008","90","","795.02","0.11","105","2","105","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Phenyl-3-amino-1H-pyrazole","","- C9 H9 N3 -","- C9 H9 N3 -","- C36 H36 N12 -","4","2","HG6296","Jaromír Marek; Zdeněk Trávníček; Petr Cankař","3-Amino-1-phenyl-1H-pyrazole","Acta Crystallographica Section E","2006","62","2","o848","o850","10.1107/S1600536806002893","","","0.71073","MoKα","","0.0602","0.0508","","","0.0943","0.0973","","","","","","1.208","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208140","9.037","0.004","5.59","0.003","17.484","0.008","90","","90.248","0.008","90","","883.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Aquabis(1-formyl-2-naphtholato-κ^2^O,O')copper(II)","","- C22 H16 Cu O5 -","- C22 H16 Cu O5 -","- C44 H32 Cu2 O10 -","2","1","OM6286","Yu, Qing; Li, Chun-Ying; Yang, Xiao-E; Bian He-Dong; Liang, Hong","Aquabis(1-formyl-2-naphtholato-κ^2^O,O')copper(II)","Acta Crystallographica Section E","2006","62","2","m391","m393","10.1107/S1600536806002674","","","0.71073","MoKα","","0.0768","0.0494","","","0.0925","0.1019","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208143","6.0842","0.0013","8.3402","0.0018","14.593","0.003","90","","96.849","0.004","90","","735.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[3-(4-chlorophenyl)oxiran-2-yl](5-naphthyl)methanone","","- C19 H13 Cl O2 -","- C19 H13 Cl O2 -","- C38 H26 Cl2 O4 -","2","1","RN6076","Li-Ping Zhang; Jian Lv; Yong-Mei Wang; Yang Wu","An asymmetric epoxidate: [3-(4-chlorophenyl)oxiran-2-yl](5-naphthyl)methanone","Acta Crystallographica Section E","2006","62","2","o729","o730","10.1107/S160053680600170X","","","0.71073","MoKα","","0.0704","0.0411","","","0.0803","0.0948","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208152","12.4411","0.0015","5.803","0.0007","13.287","0.0016","90","","113.994","0.002","90","","876.37","0.18","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Isopropyl-2-phenoxy-5,6,7,8-tetrahydro-1- benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","RZ6162","Zeng, Xiao-Hua; Ding, Ming-Wu; He, Hong-Wu","3-Isopropyl-2-phenoxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2006","62","2","o532","o533","10.1107/S1600536805042881","","","0.71073","MoKα","","0.0799","0.0601","","","0.153","0.1692","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208171","8.5235","0.0008","8.0933","0.0007","12.3116","0.0011","90","","94.681","0.002","90","","846.46","0.13","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-(4-Chlorophenyl)-3-(D-gluco-pentitol-1-yl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C15 H17 Cl N4 O5 S -","- C15 H17 Cl N4 O5 S -","- C30 H34 Cl2 N8 O10 S2 -","2","1","SJ6187","Li-Xue Zhang; San-Nu Zhou; Jian-Yu Jin; Mao-Lin Hu; An-Jiang Zhang","6-(4-Chlorophenyl)-3-(D-gluco-pentitol-1-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o434","o436","10.1107/S1600536805042923","","","0.71073","MoKα","","0.0314","0.0299","","","0.0688","0.0697","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208180","7.5208","0.0015","13.158","0.003","9.5684","0.0019","90","","104.31","0.03","90","","917.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua[N,N'-bis(methoxycarbonylmethyl)-3,6-diazaoctanedioato]copper(II) dihydrate","","- C12 H24 Cu N2 O11 -","- C12 H24 Cu N2 O11 -","- C24 H48 Cu2 N4 O22 -","2","1","TK2001","Esterhuysen, Catharine; Bredenkamp, Martin W.; van Kralingen, Leon; Adendorff, Hanelie J.; Jacobs, Edmund P.; Swart, Pieter","Aqua[3,6-bis(methoxycarbonylmethyl)-3,6-diazaoctanedioato]copper(II) dihydrate","Acta Crystallographica Section E","2006","62","2","m355","m357","10.1107/S1600536806001279","","","0.71073","MoKα","","0.038","0.033","","","0.07","0.072","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208184","11.58","0.002","9.7036","0.0019","17.489","0.004","90","","90.7","0.03","90","","1965.1","0.7","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-(1-naphthyl)-9H-xanthen-9-ol acetone solvate","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","2","TK6300","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of acetone by 9-(1-naphthyl)-9H-xanthen-9-ol","Acta Crystallographica Section E","2006","62","2","o825","o827","10.1107/S1600536806002820","","","0.71073","MoKα","","0.081","0.049","","","0.11","0.124","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208197","13.2129","0.0012","5.735","0.0005","13.212","0.0012","90","","115.13","","90","","906.39","0.14","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-(4-Chlorophenoxy)-3-isopropyl-5,6,7,8-tetrahydro-2- benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C19 H19 Cl N2 O2 S -","- C19 H19 Cl N2 O2 S -","- C38 H38 Cl2 N4 O4 S2 -","2","1","WN6406","Zeng, Xiao-Hua; Ding, Ming-Wu; He, Hong-Wu","2-(4-Chlorophenoxy)-3-isopropyl-5,6,7,8-tetrahydro-2-benzothieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2006","62","2","o731","o732","10.1107/S1600536806001218","","","0.71073","MoKα","","0.0605","0.0517","","","0.1248","0.1303","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208203","7.4482","0.0009","9.376","0.0011","13.1365","0.0016","90","","98.82","0.002","90","","906.53","0.19","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(2-hydroxybenzylidene)amino]- 1H-pyrazole-3-carbonitrile","","- C18 H9 Cl2 F3 N4 O -","- C18 H9 Cl2 F3 N4 O -","- C36 H18 Cl4 F6 N8 O2 -","2","1","WW6368","Yang, Zhi-Ping; Zhong, Ping; Shi, Qian","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(2-hydroxybenzylidene)amino]-1H-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","2","o783","o784","10.1107/S1600536806002583","","","0.71073","MoKα","","0.0537","0.0497","","","0.1172","0.1203","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208206","13.4851","0.0013","12.7578","0.0012","13.6537","0.0013","90","","104.796","0.002","90","","2271.1","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(19R)-5,19-Bis(acetyloxy)-10,13-dideoxy-10-oxo-5β-enmein","","- C24 H28 O9 -","- C24 H28 O9 -","- C96 H112 O36 -","4","2","WW6454","Shi, Hao; Hu, Wei-Xiao","(19R)-5,19-Bis(acetyloxy)-10,13-dideoxy-10-oxo-5β-enmein","Acta Crystallographica Section E","2006","62","2","o614","o616","10.1107/S1600536806000328","","","0.71073","MoKα","","0.0547","0.0435","","","0.0986","0.1028","","","","","","0.932","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208224","7.953","0.0012","7.7145","0.0012","12.7627","0.0012","90","","95.76","0.01","90","","779.08","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-2,3-Dimethoxy-8-oxoberbine","(S)-(-)-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-8-one","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","YA6273","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka; Froelich, Anna","(S)-(‒)-2,3-Dimethoxy-8-oxoberbine","Acta Crystallographica Section E","2006","62","2","o598","o600","10.1107/S1600536806000912","","","1.54178","CuKα","","0.039","0.038","","","0.092","0.093","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208233","7.8132","0.0001","7.3784","0.0001","15.8984","0.0001","90","","90.628","0.001","90","","916.47","0.018","84","2","84","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2''S,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''- yl)ethylsulfonyl]-1,3-benzothiazole","","- C18 H23 N O4 S2 -","- C18 H23 N O4 S2 -","- C36 H46 N2 O8 S4 -","2","1","AC6234","George R. Clark; James E. Robinson; Margaret A. Brimble","(2''S,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)ethylsulfonyl]-1,3-benzothiazole","Acta Crystallographica Section E","2006","62","3","o1187","o1188","10.1107/S1600536806006544","","","0.71073","MoKα","","0.0233","0.0224","","","0.0576","0.0581","","","","","","1.054","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208338","6.0831","0.0011","7.6736","0.0014","20.614","0.004","90","","95.796","0.003","90","","957.3","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-nor- androst-4-en-3-one","","- C21 H27 N3 O2 -","- C21 H27 N3 O2 -","- C42 H54 N6 O4 -","2","1","HG2004","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Ravikumar, K.; Sridhar, B.","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-4-en-3-one","Acta Crystallographica Section E","2006","62","3","o1019","o1021","10.1107/S1600536806004727","","","0.71073","MoKα","","0.0662","0.0591","","","0.1478","0.1603","","","","","","1.228","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208348","5.0259","0.0008","9.089","0.002","10.218","0.002","90","","93.482","0.015","90","","465.9","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","L-Histidinium tetrafluoroborate","L-Histidinium tetrafluoroborate ?","","- C6 H10 B F4 N3 O2 -","- C6 H10 B F4 N3 O2 -","- C12 H20 B2 F8 N6 O4 -","2","1","HG6303","S. Gokul Raj; G. Ramesh Kumar; Thenneti Raghavalu; R. Mohan; R. Jayavel","L-Histidinium tetrafluoroborate","Acta Crystallographica Section E","2006","62","3","o1178","o1180","10.1107/S1600536806006192","","","1.5418","CuKα","","0.0253","0.0253","","","0.0665","0.0665","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208384","8.849","0.0001","17.8429","0.0002","18.3058","0.0002","90","","103.783","0.0008","90","","2807.11","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-N-Acetylamino-5-[N-acetyl-N-(tetra-O-acetyl-β-D- glucopyranosyl)amino]-1,3-dimethyluracil","","- C24 H32 N4 O13 -","- C24 H32 N4 O13 -","- C96 H128 N16 O52 -","4","2","LH6596","Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","4-N-Acetylamino-5-[N-acetyl-N-(tetra-O-acetyl-β-D-glucopyranosyl)amino]-1,3-dimethyluracil","Acta Crystallographica Section E","2006","62","3","o969","o971","10.1107/S1600536806004223","","","0.71073","MoKα","","0.0419","0.0346","","","0.0829","0.0868","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208424","8.809","0.001","9.236","0.002","16.944","0.003","90","","91.88","0.01","90","","1377.8","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cimicidol-3-one","(20R,24R)-11β,24,25-trihydroxy-9,19-cyclolanost-7-ene-3,16,23-trione","","- C30 H44 O6 -","- C30 H44 O6 -","- C60 H88 O12 -","2","1","SG6060","Chun Dan; Kai-bei Yu; Shu-lin Peng; Yan Zhou; Li-sheng Ding","Cimicidol-3-one: a cycloartenol triterpenoid from the rhizomes of Cimicifuga racemosa","Acta Crystallographica Section E","2006","62","3","o1114","o1115","10.1107/S160053680600599X","","","0.71073","MoKα","","0.0629","0.0496","","","0.1312","0.1374","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208428","11.232","0.0008","5.8762","0.0002","16.7657","0.0009","90","","94.872","0.004","90","","1102.56","0.11","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","(E,E)-2,5-bis(1-naphthyliminomethyl)thiophene","(E)-N-{(5-[(E)-1-naphthyliminomethyl]-2-thienylmethylene}naphthalen-1-amine dichloromethane hemisolvate","","- C26.5 H19 Cl N2 S -","- C26.5 H19 Cl N2 S -","- C53 H38 Cl2 N4 S2 -","2","1","SJ6193","Skene, W. G.; Dufresne, Stephane","A naphthalene‒thiophene‒naphthalene diazomethine triad solvated with dichloromethane","Acta Crystallographica Section E","2006","62","3","o1116","o1117","10.1107/S1600536806005411","","","1.54178","CuKα","","0.1126","0.0653","","","0.1463","0.1655","","","","","","0.867","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2208432","10.7714","0.0012","8.44","0.002","11.42","0.003","90","","112.172","0.012","90","","961.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-diphenylguanidinium phthalate","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C42 H38 N6 O8 -","2","1","TK2003","Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","N,N'-Diphenylguanidinium phthalate","Acta Crystallographica Section E","2006","62","3","o1067","o1069","10.1107/S1600536806005083","","","0.71073","MoKα","","0.086","0.038","","","0.096","0.114","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208438","9.741","0.002","10.882","0.002","10.492","0.001","90","","90.04","0.01","90","","1112.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-1-[(S)-1-(tert-Butoxycarbonylamino)ethyl]oxirane","tert-Butyl (S)-N-[(S)-(1-oxiranylethyl)]carbamate","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","2","TK6309","Rubén A. Toscano; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walls; Francisco Yuste","tert-Butyl (S)-N-[(S)-1-(oxiranyl)ethyl]carbamate","Acta Crystallographica Section E","2006","62","3","o925","o927","10.1107/S1600536806003254","","","0.71073","MoKα","","0.116","0.055","","","0.103","0.128","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208440","9.8357","0.0003","5.9443","0.0002","17.2146","0.0006","90","","97.6513","0.0012","90","","997.51","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,7,7a-triepi-Casuarine pentaacetate","","- C18 H25 N O10 -","- C18 H25 N O10 -","- C36 H50 N2 O20 -","2","1","TK6311","Punzo, Francesco; Watkin, David J.; Van Ameijde, Jeroen; Horne, Graeme; Fleet, George W. J.; Wormald, Mark R.; Nash, Robert J.","3,7,7a-Tri-epi-casuarine pentaacetate","Acta Crystallographica Section E","2006","62","3","o928","o930","10.1107/S1600536806003539","","","0.71073","MoKα","","0.053","0.039","","0.091","0.085","0.091","","","","","","0.942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208451","11.171","0.004","6.619","0.003","12.371","0.005","90","","110.818","0.007","90","","855","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Glycyl-proline hemihydrate","","- C7 H13 N2 O3.5 -","- C7 H13 N2 O3.5 -","- C28 H52 N8 O14 -","4","2","WN2003","Stephen A. Moggach; Simon Parsons; Lindsay Sawyer","Glycyl-L-proline hemihydrate at 298K","Acta Crystallographica Section E","2006","62","3","o1046","o1048","10.1107/S1600536806004922","","","0.71073","MoKα","","0.0763","0.0578","","0.1434","0.135","0.1434","","","","","","0.9753","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208464","5.8833","0.0012","10.748","0.002","14.191","0.003","90","","97.82","0.03","90","","889","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","{1-[N-methyl-N-(1-phenylethyl)amino]ethyl}ferrocene","N-(1-Ferrocenylethyl)-N-(1-phenylethyl)methylamine","","- C21 H25 Fe N -","- C21 H25 Fe N -","- C42 H50 Fe2 N2 -","2","1","XU6108","Yin, Zhi-Gang; Qian, Heng-Yu; Jia, Jia; Zhang, Chun-Xia","N-(1-Ferrocenylethyl)-N-(1-phenylethyl)methylamine","Acta Crystallographica Section E","2006","62","3","m511","m512","10.1107/S1600536806004740","","","0.71073","MoKα","","0.062","0.056","","","0.128","0.13","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208471","8.9484","0.0012","13.208","0.0017","9.8945","0.0013","90","","93.553","0.002","90","","1167.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Condelphine","14-Acetyl-20-ethyl-1,8-dihydroxy-16-18-dimethoxylycoctonine","","- C25 H39 N O6 -","- C25 H39 N O6 -","- C50 H78 N2 O12 -","2","1","AC2007","Manzoor Ahmad; Shamsher Ali; Farzana Shaheen; Shazia Anjum; M. Iqbal Choudhary","14-Acetyl-20-ethyl-1,8-dihydroxy-16,18-dimethoxylycoctonine","Acta Crystallographica Section E","2006","62","4","o1428","o1430","10.1107/S1600536806008944","","","0.71073","MoKα","","0.0348","0.0341","","","0.0847","0.0854","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208476","9.0277","0.0015","14.185","0.002","9.7695","0.0017","90","","114.266","0.003","90","","1140.5","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-{5-[1-(hydroxymethyl)ethylaminocarbonyl]-1,3-benzodioxol-4-yl}-7-methoxy- 3-benzodioxole-5-carboxylate","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C46 H50 N2 O20 -","2","1","AT2003","Xiu-Xiang Qi; Ji-Shuan Suo; Li-Min Wang; Xiao-He Guo; Sen-Xiang Cheng","Ethyl 4-{5-[1-(hydroxymethyl)ethylaminocarbonyl]-1,3-benzodioxol-4-yl}-7-methoxy-3-benzodioxole-5-carboxylate","Acta Crystallographica Section E","2006","62","4","o1269","o1270","10.1107/S1600536806006246","","","0.71073","MoKα","","0.0715","0.0559","","","0.1509","0.1656","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208484","8.063","0.003","14.231","0.004","9.027","0.003","90","","116.382","0.005","90","","927.9","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","{2,6-Bis[(4R)-4-ethoxyoxazolin-2-yl]pyridine}dichloromanganese(II)","","- C15 H19 Cl2 Mn N3 O2 -","- C15 H19 Cl2 Mn N3 O2 -","- C30 H38 Cl4 Mn2 N6 O4 -","2","1","AT2015","Li, Jian-Ping; Zhao, Jian-She","{2,6-Bis[(4R)-4-ethoxyoxazolin-2-yl]pyridine}dichloromanganese(II)","Acta Crystallographica Section E","2006","62","4","m810","m812","10.1107/S1600536806009287","","","0.71073","MoKα","","0.039","0.0324","","","0.0827","0.0852","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208497","6.077","0.001","14.224","0.002","7.676","0.001","90","","97.791","0.002","90","","657.38","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","1","BH2008","Yang, De-Suo","2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol","Acta Crystallographica Section E","2006","62","4","o1395","o1396","10.1107/S1600536806008580","","","0.71073","MoKα","","0.049","0.0348","","","0.0693","0.0749","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208510","7.2123","0.0005","9.2723","0.0006","10.9592","0.0007","90","","92.058","0.001","90","","732.42","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3-Hydroxy-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C28 H34 N6 O10 -","2","1","BT2017","Ren, Peng; Yang, Xue-Mei; Guo, Jing-Ning; Zhu, Xi-Zong","(S)-3-Hydroxy-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine","Acta Crystallographica Section E","2006","62","4","o1558","o1559","10.1107/S160053680601018X","","","0.71073","MoKα","","0.0427","0.0391","","","0.1038","0.1083","","","","","","1.051","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208514","9.581","0.0011","7.3961","0.0012","9.9354","0.0013","90","","103.355","0.007","90","","685","0.16","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2-ethoxy-3,4-dioxocyclobutenylamino)-2-[2-(methylsulfanyl)ethyl]acetamide","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C22 H32 N4 O8 S2 -","2","1","BT2021","Tsonko Kolev; Emiliya Cherneva; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","L-Methioninamide ester amide of squaric acid diethyl ester","Acta Crystallographica Section E","2006","62","4","o1390","o1392","10.1107/S1600536806008440","","","0.71073","MoKα","","0.0563","0.0473","","","0.1154","0.1223","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208519","9.238","0.002","10.124","0.003","9.696","0.002","90","","97.03","0.02","90","","900","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","ent-3β,16-Dihydroxyisopimar-7-ene-2,15-dione","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","BT2026","Li Pan; Kai-Bei Yu; Shu-Lin Peng; Yan Zhou; Li-Sheng Ding","ent-3β,16-Dihydroxyisopimar-7-ene-2,15-dione: a new tricyclic diterpenoid from the roots of Euphorbia wallichii","Acta Crystallographica Section E","2006","62","4","o1643","o1644","10.1107/S1600536806009536","","","0.71073","MoKα","","0.0657","0.0431","","","0.0943","0.1015","","","","","","0.929","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208615","7.9708","0.0009","5.5031","0.0006","16.9923","0.0018","90","","98.291","0.002","90","","737.56","0.14","366","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C17 H15 Br O S -","- C17 H15 Br O S -","- C34 H30 Br2 O2 S2 -","2","1","HG2019","Ray J. Butcher; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.","2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1659","o1661","10.1107/S1600536806011160","","","0.71073","MoKα","","0.0254","0.0238","","","0.0541","0.0545","","","","","","0.953","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208620","9.116","0.002","12.05","0.003","11.113","0.003","90","","110.71","0.03","90","","1141.9","0.5","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-(2-Acetylpyridine-κN 2-furylhydrazonato-κ^2^N^1^,O)dichlorophenyltin(IV) dichloromethane solvate","","- C19 H17 Cl4 N3 O2 Sn -","- C18.999 H16.998 Cl3.998 N3 O2 Sn -","- C37.998 H33.996 Cl7.996 N6 O4 Sn2 -","2","1","HK2009","Sousa, Gerimário F. de; Hernández-Ortega, Simón; Jancik, Vojtech; Valdés-Martínez, Jesús","trans-(2-Acetylpyridine-κN 2-furylhydrazonato-κ^2^N^1^,O)dichlorophenyltin(IV) dichloromethane solvate","Acta Crystallographica Section E","2006","62","4","m819","m821","10.1107/S1600536806009457","","","0.71073","MoKα","","0.0401","0.0367","","","0.0772","0.0786","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208639","9.809","0.001","9.2892","0.001","14.1428","0.0015","90","","95.909","0.002","90","","1281.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(imidazoline) pyridine","2,6-bis[(4S)-isopropyl-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]pyridine","","- C29 H33 N5 -","- C29 H33 N5 -","- C58 H66 N10 -","2","1","IS6184","Ma, Kuoyan; Cheng, Liang; Gau, Han-Mou; You, Jingsong","A new chiral ligand: 2,6-bis[4(S)-isopropyl-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]pyridine","Acta Crystallographica Section E","2006","62","4","o1595","o1597","10.1107/S1600536806009846","","","0.71073","MoKα","","0.0464","0.0348","","","0.087","0.0955","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208711","9.184","0.001","13.384","0.002","13.638","0.002","90","","105.72","0.002","90","","1613.7","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","methyl tashinonate","(S)-Methyl 6,7,8,9,10,11-Hexahydro-1,6-dimethyl-10,11-dioxophenanthro[1,2-b]- furan-6-carboxylate","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","SJ2005","Qin, Jiang-Ke; Zeng, Ming-Hua; Ng, Seik Weng","(S)-Methyl 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxophenanthro[1,2-b]furan-6-carboxylate (methyl tashinonate)","Acta Crystallographica Section E","2006","62","4","o1371","o1372","10.1107/S1600536806007203","","","0.71073","MoKα","","0.047","0.037","","","0.097","0.107","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208731","5.808","0.004","7.557","0.003","13.716","0.008","90","","92.39","0.06","90","","601.5","0.6","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-2-Ferrocenyl-4-hydroxymethyl-4,5-dihydrooxazole","","- C14 H15 Fe N O2 -","- C14 H15 Fe N O2 -","- C28 H30 Fe2 N2 O4 -","2","1","SJ6194","Matthew H. Todd; Motevalli, Majid; Shaimaa El-Fayyoumy; Chris Richards","(R)-2-Ferrocenyl-4-hydroxymethyl-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2006","62","4","m719","m720","10.1107/S1600536806006982","","","0.71073","MoKα","","0.078","0.0353","","","0.0687","0.0789","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208738","9.854","0.0001","7.109","0.0001","23.933","0.0003","90","","91.59","0.002","90","","1675.91","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(2-Chloroquinolin-3-yl)-2-[(S)-α-methylbenzylamino]acetonitrile","","- C19 H16 Cl N3 -","- C19 H16 Cl N3 -","- C76 H64 Cl4 N12 -","4","2","TK2012","Ali, Belfaitah; Souheila, Ladraa; Abdelmalek, Bouraiou; Nourredine, Benali-Cherif; Abdelmadjid, Debache; Salah, Rhouati","(S)-2-(2-Chloroquinolin-3-yl)-2-[(S)-α-methylbenzylamino]acetonitrile","Acta Crystallographica Section E","2006","62","4","o1355","o1357","10.1107/S1600536806007744","","","0.71073","MoKα","","0.117","0.055","","","0.079","0.093","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208778","13.905","0.002","12.108","0.003","19.079","0.003","90","","90.717","0.015","90","","3211.9","1","120","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Hexakis(dimethylformamide-κO)magnesium tetrachloromagnesium","","- C18 H42 Cl4 Mg2 N6 O6 -","- C18 H42 Cl4 Mg2 N6 O6 -","- C72 H168 Cl16 Mg8 N24 O24 -","4","2","AC2013","Barker, Bobby L.; Aubry, David; Fronczek, Frank R.; Watkins,Steven F.; Stanley, George G.","Hexakis(N,N-dimethylformamide-κO)magnesium tetrachloromagnesate","Acta Crystallographica Section E","2006","62","5","m942","m944","10.1107/S1600536806011123","","","0.71073","MoKα","","","0.0347","","","","0.0679","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208828","8.0529","0.0005","22.988","0.001","8.3123","0.0005","90","","93.534","0.001","90","","1535.85","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Acetylamino)benzenesulfonyl azide","","- C8 H8 N4 O3 S -","- C8 H8 N4 O3 S -","- C48 H48 N24 O18 S6 -","6","3","CI2042","Vicarel, Monica L.; Norris, Peter; Zeller, Matthias","4-Acetamidobenzenesulfonyl azide","Acta Crystallographica Section E","2006","62","5","o1751","o1753","10.1107/S1600536806011962","","","0.71073","MoKα","","0.04","0.0389","","","0.0987","0.0994","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208843","4.039","0.001","8.974","0.002","9.224","0.002","90","","93.09","0.03","90","","333.85","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Bromo-2-(hydroxymethyl)pyridine","5-Bromo-2-(hydroxymethyl)pyridine","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C12 H12 Br2 N2 O2 -","2","1","CI2059","Ya-Ming Wu; Chang-Chuan Dong; Shan Liu; Hong-Jun Zhu; Yi-Zu Wu","5-Bromo-2-(hydroxymethyl)pyridine","Acta Crystallographica Section E","2006","62","5","o2102","o2103","10.1107/S1600536806015066","","","0.71073","MoKα","","0.0707","0.0565","","","0.1318","0.1423","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208882","3.685","0.0018","7.074","0.004","16.073","0.008","90","","94.978","0.011","90","","417.4","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-2-nitro-trans-cinnamic acid","trans-3-(2-nitrophenyl)prop-2-enoic acid","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C18 H14 N2 O8 -","2","1","FL2018","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","The β-form of trans-3-(2-nitrophenyl)prop-2-enoic acid at 130K","Acta Crystallographica Section E","2006","62","5","o2024","o2026","10.1107/S1600536806014048","","","0.71073","MoKα","","0.1469","0.0628","","","0.0898","0.1108","","","","","","0.811","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208883","10.4507","0.0014","9.2317","0.0012","11.9817","0.0016","90","","104.691","0.002","90","","1118.2","0.3","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-(4-Fluorobenzylamino)-3,6-diphenyl-2-thioxo-2,3-dihydro-1,3- thiazolo[4,5-d]pyrimidin-7(6H)-one","","- C24 H17 F N4 O S2 -","- C24 H17 F N4 O S2 -","- C48 H34 F2 N8 O2 S4 -","2","1","FL2019","Zhang, Qian","5-(4-Fluorobenzylamino)-3,6-diphenyl-2-thioxo-2,3-dihydro-1,3-thiazolo[4,5-d]pyrimidin-7(6H)-one","Acta Crystallographica Section E","2006","62","5","o2062","o2063","10.1107/S1600536806014620","","","0.71073","MoKα","","0.065","0.0526","","","0.1482","0.1763","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208890","11.14","0.003","7.518","0.002","24.123","0.006","90","","102.207","0.009","90","","1974.6","0.9","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-Ferroceneyl-1-(4-tolylphenyl)prop-2-en-1-one","","- C26 H22 Fe O -","- C26 H22 Fe O -","- C104 H88 Fe4 O4 -","4","2","HB2028","Teng, Ming-Yu; Mao, Xin-Biao; Song, Qing-Bao; Tiekink, Edward R. T.","(E)-3-Ferrocenyl-1-(4-tolylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","5","m968","m970","10.1107/S1600536806011767","","","0.71069","MoKα","","0.05","0.041","","","0.098","0.101","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208910","10.8379","0.0011","8.3682","0.0011","13.621","0.008","90","","95.92","0.03","90","","1228.8","0.8","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","1","HK2027","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","3α,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","Acta Crystallographica Section E","2006","62","5","o1856","o1858","10.1107/S1600536806012669","","","1.54178","CuKα","","0.0702","0.0364","","","0.0952","0.1103","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208988","5.132","0.002","7.203","0.002","22.767","0.008","90","","95.59","0.03","90","","837.6","0.5","286","2","286","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","SG2018","Xiao-Ling Wang","8-Oxocanadine","Acta Crystallographica Section E","2006","62","5","o1764","o1765","10.1107/S1600536806010324","","","0.71073","MoKα","","0.0627","0.0397","","","0.072","0.0764","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209036","5.4505","0.0018","25.769","0.008","9.21","0.002","90","","99.98","0.02","90","","1274","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-histidinium trichloroacetate","L-histidinium trichloroacetate","","- C8 H10 Cl3 N3 O4 -","- C8 H10 Cl2.9945 N3 O4 -","- C32 H40 Cl11.978 N12 O16 -","4","2","WN2004","S. Gokul Raj; G. Ramesh Kumar; R. Mohan; R. Jayavel; Babu Varghese","L-Histidinium trichloroacetate","Acta Crystallographica Section E","2006","62","5","o1704","o1706","10.1107/S1600536806011342","","","0.71073","MoKα","","0.0426","0.039","","","0.1048","0.1089","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209063","11.935","0.003","5.7061","0.0014","17.873","0.004","90","","108.884","0.003","90","","1151.7","0.5","298","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-β-D-galactopyranoside","","- C21 H26 O11 -","- C21 H26 O11 -","- C42 H52 O22 -","2","1","AC2021","Yan Zhang; Gui-Long Zhao; Jiong Jia; Jian-Wu Wang","4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside","Acta Crystallographica Section E","2006","62","6","o2487","o2489","10.1107/S1600536806018988","","","0.71073","MoKα","","0.0557","0.0431","","","0.0918","0.105","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209069","7.9403","0.0012","6.7719","0.0006","11.112","0.0015","90","","99.272","0.006","90","","589.7","0.13","120","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-aminopyridinium p-nitrobenzoate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","AT2030","Samuel Robinson Jebas; Thailampillai Balasubramanian.","Hydrogen-bonding patterns of 2-aminopyridinium p-nitrobenzoate","Acta Crystallographica Section E","2006","62","6","o2209","o2211","10.1107/S1600536806015042","","","0.71073","MoKα","","","0.053","","","","0.1286","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209131","8.419","0.002","9.382","0.002","12.366","0.004","90","","107.46","0.02","90","","931.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-1-(2,4-Dinitrophenyl)-2-(2-isopropyl-5-methyl-1-nitrocyclohexyl)diazene","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C32 H42 N10 O12 -","2","1","CV2033","Li-Fang Zhao","(E)-1-(2,4-Dinitrophenyl)-2-(2-isopropyl-5-methyl-1-nitrocyclohexyl)diazene","Acta Crystallographica Section E","2006","62","6","o2160","o2162","10.1107/S1600536806015078","","","0.71073","MoKα","","0.0668","0.0382","","","0.079","0.0872","","","","","","0.879","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209153","7.7704","0.0018","7.8397","0.0009","12.0141","0.0015","90","","100.23","0.014","90","","720.2","0.2","173","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3,5-Dimethoxybenzylidene)-2-(methylsulfanyl)aniline","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","DN2033","Hamaker, Christopher G.; Halbach, Dominic P.","N-(3,5-Dimethoxybenzylidene)-2-(methylsulfanyl)aniline","Acta Crystallographica Section E","2006","62","6","o2149","o2150","10.1107/S1600536806015789","","","0.71073","MoKα","","","0.0317","","","","0.086","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209212","9.839","0.003","11.981","0.004","10.908","0.004","90","","114.982","0.004","90","","1165.5","0.7","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Forskolin G","1α-hydroxy-6β,7β-diacetoxy-8,13-epoxylabd-14-en-11-one","","- C24 H36 O7 -","- C24 H36 O7 -","- C48 H72 O14 -","2","1","HK2036","Yu-Pei Shan; Xiao-Bing Wang; Ling-Yi Kong","Forskolin G","Acta Crystallographica Section E","2006","62","6","o2408","o2410","10.1107/S1600536806018095","","","0.71073","MoKα","","0.0439","0.035","","","0.0849","0.093","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209234","11.912","0.003","7.7221","0.0018","12.312","0.003","90","","103.993","0.003","90","","1098.9","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(S)-1-(5-Chloro-2-hydroxyphenyl)ethyl]-N-[(R)-2-hydroxy-1- phenylethyl]aminium chloride ethyl acetate solvate","","- C20 H27 Cl2 N O4 -","- C20 H27 Cl2 N O4 -","- C40 H54 Cl4 N2 O8 -","2","1","KP2016","Guang-You Zhang; Xiang-Bo Wang; Jin-Yan Zhao; Wan-Hui Wang; Xiao-Feng Yang","N-[(S)-1-(5-Chloro-2-hydroxyphenyl)ethyl]-N-[(R)-2-hydroxy-1-phenylethyl]aminium chloride ethyl acetate solvate","Acta Crystallographica Section E","2006","62","6","o2239","o2241","10.1107/S1600536806016308","","","0.71073","MoKα","","0.0705","0.067","","","0.1735","0.1777","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209247","14.48","0.02","8.323","0.001","18.455","0.005","90","","112.28","0.012","90","","2058","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yl)phosphine oxide","","- C24 H26 N O P -","- C24 H26 N O P -","- C96 H104 N4 O4 P4 -","4","2","LH2062","I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard","Diphenyl(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yl)phosphine oxide","Acta Crystallographica Section E","2006","62","6","o2329","o2330","10.1107/S1600536806017193","","","0.71073","MoKα","","0.0422","0.0294","","","0.0792","0.0855","","","","","","1.028","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209248","6.0017","0.0007","8.4357","0.0009","26.733","0.003","90","","94.614","0.002","90","","1349.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-Hydroxy-2-phenylacetic acid‒(R)-2-aminobutanoic acid‒water (1/1/2)","","- C12 H18 N O5.5 -","- C6 H9 N0.5 O2.75 -","- C48 H72 N4 O22 -","8","4","LH2063","Ming-Yu Teng; Jie Sun; Chun-An Ma; Qing-Bao Song","(S)-2-Hydroxy-2-phenylacetic acid‒(R)-2-aminobutanoic acid‒water (1/1/0.5)","Acta Crystallographica Section E","2006","62","6","o2454","o2456","10.1107/S1600536806018605","","","0.71073","MoKα","","0.0568","0.0449","","","0.0993","0.1037","","","","","","0.915","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209294","10.288","0.004","9.992","0.003","11.983","0.004","90","","101.552","0.006","90","","1206.9","0.7","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-tert-Butyl-5-{[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl- tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy]methyl}-2-hydroxybenzaldehyde","","- C24 H34 O8 -","- C24 H34 O8 -","- C48 H68 O16 -","2","1","RZ2030","Zhao, Shan-Shan; Zhao, Ji-Quan; Zhao, Dong-Min","3-tert-Butyl-5-{[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy]methyl}-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2006","62","6","o2537","o2538","10.1107/S1600536806019209","","","0.71073","MoKα","","0.0754","0.0445","","","0.1067","0.1262","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209305","7.157","0.003","8.44","0.004","10.193","0.005","90","","95.631","0.008","90","","612.7","0.5","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","SJ2043","Bai, Guo-Yi; Zhang, Chen-Fang; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng","(S,S)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol","Acta Crystallographica Section E","2006","62","6","o2173","o2174","10.1107/S1600536806015352","","","0.71073","MoKα","","0.0606","0.0406","","","0.0914","0.1022","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209382","12.043","0.002","7.7441","0.0016","12.043","0.002","90","","103.07","0.02","90","","1094.1","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O4 -","- C21 H30 Cl N O4 -","- C42 H60 Cl2 N2 O8 -","2","1","BH2013","Zhang, Guang-You; Wang, Xiang-Bo; Zhao, Jin-Yan; Wang, Wan-Hui; Yang, Xiao-Feng","The absolute configuration of a new aminoalkylphenol derived from (R)-(‒)-2-phenylglycine","Acta Crystallographica Section E","2006","62","7","o3035","o3037","10.1107/S1600536806022963","","","0.71073","MoKα","","0.0539","0.0523","","","0.1424","0.1444","","","","","","1.045","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209393","9.9668","0.0003","10.821","0.0003","16.5299","0.0005","90","","102.351","0.002","90","","1741.5","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ~2~-thiocyanato]]","","- C13 H16 Cd N4 S3 -","- C13 H16 Cd N4 S3 -","- C52 H64 Cd4 N16 S12 -","4","2","BI2019","Rajni Sharma; Alan R. Kennedy; Ritu Bala; Raj Pal Sharma","catena-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ~2~-thiocyanato]]","Acta Crystallographica Section E","2006","62","7","m1630","m1632","10.1107/S1600536806022938","","","0.71073","MoKα","","0.0635","0.0406","","","0.0617","0.0674","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209396","12.5459","0.0013","14.5417","0.0014","14.6939","0.0015","90","","101.563","0.004","90","","2626.3","0.5","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[3-(3-Nitrobenzoylamino)benzoyl]-1,4-dideoxy-2,3-O-isopropylidene- 1,4-imino-D-talitol","","- C26 H29 N3 O8 -","- C26 H29 N3 O8 -","- C104 H116 N12 O32 -","4","2","BI2023","Chu-Yi Yu; Ying Fu","1,4-Dideoxy-2,3-O-isopropylidene-N-[3-(3-nitrobenzoylamino)benzoyl]-1,4-imino-D-talitol","Acta Crystallographica Section E","2006","62","7","o3113","o3114","10.1107/S1600536806024251","","","0.7107","MoKα","","0.0923","0.0662","","","0.1699","0.1905","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209438","12.456","0.004","8.0362","0.0011","13.533","0.003","90","","112.86","0.02","90","","1248.2","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-ibuprofen","S(+)-2-(4-Isobutylphenyl)propionic acid","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","CF2031","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","Redetermination and H-atom refinement of (S)-(+)-ibuprofen. Corrigendum.","Acta Crystallographica Section E","2006","62","7","e17","e18","10.1107/S1600536806020575","","","0.71069","MoKα","","0.079","0.0385","","","0.091","0.1043","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209470","10.327","0.0002","8.2051","0.0001","14.363","0.0002","90","","90.424","0.001","90","","1217","0.03","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,1'S)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]- 4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H28 N2 O4 S -","- C25 H28 N2 O4 S -","- C50 H56 N4 O8 S2 -","2","1","DN2036","Vrábel, Viktor; Skubák, Pavol; Marchalín, Štefan; Langer, Vratislav; Baumlová, Barbora","(4R,1'S)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2639","o2640","10.1107/S1600536806019970","","","0.71073","MoKα","","0.0445","0.0416","","","0.1106","0.1137","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209493","10.3023","0.0002","8.1925","0.0001","14.3279","0.0002","90","","90.42","0.001","90","","1209.27","0.03","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,1'R)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]-4-(2-thienyl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H28 N2 O4 S -","- C25 H28 N2 O4 S -","- C50 H56 N4 O8 S2 -","2","1","FB2002","Vrábel, Viktor; Skubák, Pavol; Marchalín, Štefan; Langer, Vratislav; Baumlová, Barbora","(4S,1'R)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2759","o2761","10.1107/S1600536806018964","","","0.71073","MoKα","","0.0439","0.0377","","","0.0914","0.0958","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209496","9.6539","0.0004","6.3289","0.0003","13.4942","0.0007","90","","103.577","0.002","90","","801.44","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S)-4-Azido-1-benzyl-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine","","- C16 H22 N4 O2 -","- C16 H22 N4 O2 -","- C32 H44 N8 O4 -","2","1","FL2030","Amy K. S. Chesterton; Sarah F. Jenkinson; Nigel A. Jones; George W. J. Fleet; David J. Watkin","(2S,4S)-4-Azido-1-benzyl-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine","Acta Crystallographica Section E","2006","62","7","o2983","o2985","10.1107/S1600536806023105","","","0.71073","MoKα","","0.0769","0.0441","","0.1004","0.0862","0.1004","","","","","","0.8553","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209499","11.312","0.001","8.059","0.001","14.074","0.001","90","","101.49","0.01","90","","1257.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","11S,13R,16R,18S,22S-1-Azonia-9-ethyl-3- hydroxy-5-(6-methoxy-quinolin-4-yl)-3-methyl- 4-oxatricyclo[6.2.2.0]dodecane trifluoromethanesulfonate","","- C24 H31 F3 N2 O6 S -","- C24 H31 F3 N2 O6 S -","- C48 H62 F6 N4 O12 S2 -","2","1","GH2002","Gema Antequera-García; Bernadette Norberg; Istvan E. Marko; Johan Wouters","(3R,5S,6R,8S,9S)-1-Azonia-9-ethyl-3-hydroxy-5-(6-methoxyquinolin-4-yl)-3-methyl-4-oxatricyclo[6.2.2.0]dodecane trifluoromethanesulfonate: insight into the sterochemistry of the cyclization mechanism","Acta Crystallographica Section E","2006","62","7","o2864","o2865","10.1107/S1600536806021131","","","1.54178","CuKα","","0.0473","0.0432","","","0.1202","0.1242","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2209505","6.5657","0.0017","6.976","0.002","11.602","0.003","90","","94.981","0.004","90","","529.4","0.2","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-(4-chlorobenzoylmethylene)-imidazolidine","1-(4-Chlorophenyl)-2-(imidazolidin-2-ylidene)ethanone","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C22 H22 Cl2 N4 O2 -","2","1","HB2059","Chu-Yi Yu; Sheng-Jiao Yan; Zhi-Tang Huang","1-(4-Chlorophenyl)-2-(imidazolidin-2-ylidene)ethanone","Acta Crystallographica Section E","2006","62","7","o2655","o2656","10.1107/S1600536806019805","","","0.71073","MoKα","","0.0474","0.0358","","","0.0884","0.0954","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209547","8.3946","0.0009","11.4865","0.0012","15.0673","0.0017","90","","91.789","0.002","90","","1452.1","0.3","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dichloro{N-(diphenylphosphino)-N-[(diphenylphosphoryl)methyl]pyridin-2-amine- κ^2^N,N'}platinum(II)","","- C30 H26 Cl2 N2 O P2 Pt -","- C30 H26 Cl2 N2 O P2 Pt -","- C60 H52 Cl4 N4 O2 P4 Pt2 -","2","1","HK2056","Peng Li; Qing-Shan Li; Feng-Bo Xu; Hai-Bin Song; Zheng-Zhi Zhang","Dichloro{N-(diphenylphosphino)-N-[(diphenylphosphoryl)methyl]pyridin-2-amine-κ^2^N,N'}platinum(II)","Acta Crystallographica Section E","2006","62","7","m1575","m1576","10.1107/S1600536806022148","","","0.71073","MoKα","","0.0309","0.0249","","","0.0487","0.051","","","","","","0.913","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209573","10.586","0.0006","5.688","0.0004","10.878","0.0007","90","","106.77","0.001","90","","627.14","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-argininium trifluoroacetic acid","","- C8 H15 F3 N4 O4 -","- C8 H15 F3 N4 O4 -","- C16 H30 F6 N8 O8 -","2","1","KJ2012","J. Suresh; R. V. Krishnakumar; S. Natarajan","L-Argininium trifluoroacetate","Acta Crystallographica Section E","2006","62","7","o3127","o3129","10.1107/S1600536806024743","","","0.71073","MoKα","","0.0654","0.0595","","","0.1442","0.1505","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209589","7.2244","0.0013","6.4049","0.0012","10.162","0.0019","90","","106.692","0.003","90","","450.4","0.14","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ag(C9O2NH10)]~n~","catena-Poly[silver(I)-μ-L-phenylalaninato-κ^2^N:O]","","- C9 H10 Ag N O2 -","- C9 H10 Ag N O2 -","- C18 H20 Ag2 N2 O4 -","2","1","LH2081","Li Wang; Yamei Pei","catena-Poly[silver(I)-μ-L-phenylalaninato-κ^2^N:O]","Acta Crystallographica Section E","2006","62","7","m1487","m1488","10.1107/S1600536806019568","","","0.71073","MoKα","","0.0546","0.0467","","","0.1383","0.1708","","","","","","1.241","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209594","12.9462","0.0003","7.0036","0.0001","23.5856","0.0005","90","","96.163","0.001","90","","2126.15","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3,12-Dioxo-5β-cholanic acid","","- C24 H36 O4 -","- C24 H36 O4 -","- C96 H144 O16 -","4","2","LH2089","Kikolski, Elizabeth M.; Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3,12-Dioxo-5β-cholanic acid: hydrogen bonding in a diketo bile-acid derivative","Acta Crystallographica Section E","2006","62","7","o2641","o2643","10.1107/S1600536806019726","","","1.54178","CuKα","","0.029","0.028","","","0.071","0.072","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209595","12.277","0.003","18.803","0.004","17.132","0.004","90","","93.922","0.009","90","","3945.6","1.6","100","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2,4,6-Trimethyldithiobenzoato-κ^2^S,S')bis(triphenylphosphine-κP)gold(I)","","- C46 H41 Au P2 S2 -","- C46 H41 Au P2 S2 -","- C184 H164 Au4 P8 S8 -","4","2","LH2090","Davis, Despina; Fronczek, Frank R.; Schuerman, Judith A.; Selbin, Joel; Watkins, Steven F.","(2,4,6-Trimethyldithiobenzoato-κ^2^S,S')bis(triphenylphosphine-κP)gold(I)","Acta Crystallographica Section E","2006","62","7","m1524","m1526","10.1107/S1600536806020460","","","0.71073","MoKα","","","0.0663","","","","0.0987","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209606","10.2197","0.0014","10.3097","0.0014","10.2801","0.0014","90","","99.415","0.002","90","","1068.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","C30 H64 N10 O10 Ni2 I2","","","- C15 H32 I N5 Ni O5 -","- C15 H32 I N5 Ni O5 -","- C30 H64 I2 N10 Ni2 O10 -","2","1","LH2102","Yamei Pei; Li Wang","[Tris(2-aminoethyl)amine-κ^3^N,N',N'',N'''](L-tyrosinato-κ^2^N,O)nickel(II) iodide dihydrate","Acta Crystallographica Section E","2006","62","7","m1668","m1670","10.1107/S160053680602366X","","","0.71073","MoKα","","0.0425","0.0373","","","0.1003","0.1058","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209616","7.857","0.0009","16.61","0.0019","8.9443","0.001","90","","97.134","0.002","90","","1158.2","0.2","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(3S)-3-(2,4-dichlorophenyl-4-methyl)pentanoyl]bornane-10,2-sultam","","- C22 H29 Cl2 N O3 S -","- C22 H29 Cl2 N O3 S -","- C44 H58 Cl4 N2 O6 S2 -","2","1","OB2025","Cao, Xiu-Fang; Lu, Wen-Chang; Yu, Guang-Ao; Liu, Sheng-Hua; Meng, Xiang-Gao","(+)-N-[(3S)-3-(2,4-Dichlorophenyl-4-methyl)pentanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","7","o3069","o3070","10.1107/S1600536806023816","","","0.71073","MoKα","","0.0449","0.0422","","","0.1168","0.126","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209675","13.5862","0.0006","7.302","0.0003","14.3462","0.0007","90","","114.709","0.002","90","","1292.93","0.1","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 3,6-diacetoxy-11-[1-(4- nitrobenzoyloxy)ethyl]tetracyclo[6.4.1.0^2,7^.0^9,12^]trideca-2,4,6,10- tetraene-10-carboxylate","","- C29 H27 N O10 -","- C29 H27 N O10 -","- C58 H54 N2 O20 -","2","1","TK2050","Lough, Alan J.; Villeneuve, Karine; Tam, William","Absolute configuration of the p-nitrobenzoate ester of the cycloadduct of (S)-4-hydroxy-2-pentynoate and acetic acid 8-acetoxy-1,4-dihydro-1,4-methanonapththalen-5-yl ester","Acta Crystallographica Section E","2006","62","7","o2846","o2847","10.1107/S1600536806022021","","","0.71073","MoKα","","0.083","0.045","","","0.099","0.125","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209691","13.373","0.005","5.7653","0.0018","17.964","0.006","90","","98.653","0.005","90","","1369.2","0.8","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1,3;4,6-Di-O-benzylidene-2,5-dodeoxy-2,5-imino-L-iditol)-N-cinnamide","1,3:4,6-Di-O-benzylidene-2,5-dideoxy-2,5-imino-N-cinnamyl-L-iditol","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C58 H54 N2 O10 -","2","1","WN2041","Yu, Chu-Yi; Fu, Ying","1,3:4,6-Di-O-benzylidene-N-cinnamyl-2,5-dideoxy-2,5-imino-L-iditol","Acta Crystallographica Section E","2006","62","7","o3115","o3116","10.1107/S1600536806024494","","","0.7107","MoKα","","0.0503","0.0398","","","0.0886","0.0939","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209724","6.19","0.0012","10.979","0.002","11.622","0.002","90","","104.88","0.03","90","","763.3","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","przewalskin","5,11,11-Trimethyl-16-oxatetracyclo[6.6.2.0^1,10^.0^2,7^]hexadeca-2,4,6- trien-4-ol","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","AT2048","Ning-Bo Gong; Yang Lu; Qi-Tai Zheng; Gang Xu; Qin-Shi Zhao","5,11,11-Trimethyl-16-oxatetracyclo[6.6.2.0^1,10^.0^2,7^]hexadeca-2,4,6-trien-4-ol","Acta Crystallographica Section E","2006","62","8","o3163","o3165","10.1107/S1600536806024780","","","0.71073","MoKα","","0.084","0.0839","","","0.1551","0.1551","","","","","","1.155","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209754","6.6577","0.0011","9.2835","0.0015","12.1075","0.0019","90","","99.834","0.002","90","","737.3","0.2","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-Dimethyl-2-(naphthalen-1-yloxy)-1,3,2-dioxaphosphinane 2-oxide","","- C15 H17 O4 P -","- C15 H17 O4 P -","- C30 H34 O8 P2 -","2","1","BI2042","Li, Zheng-Qiu; Sheng, Xi-Jun; Zuo, Na; Ren, Qing-Yun; He, Hong-Wu","5,5-Dimethyl-2-(naphthalen-1-yloxy)-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2006","62","8","o3501","o3502","10.1107/S1600536806028431","","","0.71073","MoKα","","0.0516","0.048","","","0.113","0.1156","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209759","8.6855","0.0007","7.6735","0.0005","18.5577","0.0015","90","","97.124","0.007","90","","1227.29","0.16","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-Hydroxy-3-methoxybenzylidene)-2,3,4,6-tetra-O-acetyl-β-D- galactopyranosylamine","","- C22 H27 N O11 -","- C22 H27 N O11 -","- C44 H54 N2 O22 -","2","1","BT2124","Sema Öztürk Yıldırım; Mehmet Akkurt; Ali Asghar Jarrahpour; Parvaneh Alvand; Orhan Büyükgüngör","N-(2-Hydroxy-3-methoxybenzylidene)-2,3,4,6-tetra-O-acetyl-β-D-galactopyranosylamine","Acta Crystallographica Section E","2006","62","8","o3247","o3248","10.1107/S1600536806025864","","","0.71073","MoKα","","0.0492","0.0349","","","0.0879","0.0942","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209767","9.4486","0.0013","6.0103","0.0009","20.616","0.003","90","","97.85","0.002","90","","1159.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R,9R,10R)-7,13-abietadien-18-yl p-bromobenzoate","","- C27 H35 Br O2 -","- C27 H35 Br O2 -","- C54 H70 Br2 O4 -","2","1","BT2137","González, Miguel A.; Gil-Gimeno, Maria J.; Blake, Alexander J.","Determination of the absolute configuration of ({-})-abietic acid via its (4R,5R,9R,10R)-7,13-abietadien-18-yl p-bromobenzoate derivative","Acta Crystallographica Section E","2006","62","8","o3346","o3347","10.1107/S1600536806026705","","","0.71073","MoKα","","0.0337","0.0317","","","0.0818","0.0833","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209804","6.597","0.003","17.427","0.007","15.433","0.006","90","","91.496","0.009","90","","1773.7","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(2,5-dimethoxyphenyl)oxamide","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","2","CI2108","Yong-Hong Wen; Kun Zhang; Xue-Mei Li; Xiao-Fang Tang; Shu-Sheng Zhang","N,N'-Bis(2,5-dimethoxyphenyl)oxamide","Acta Crystallographica Section E","2006","62","8","o3549","o3550","10.1107/S1600536806028200","","","0.71073","MoKα","","0.1481","0.0642","","","0.0876","0.1095","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209817","12.788","0.0019","6.7749","0.001","26.859","0.004","90","","92.118","0.002","90","","2325.4","0.6","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-tert-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yloxy]methyl}-2- hydroxybenzaldehyde","","- C24 H34 O8 -","- C24 H34 O8 -","- C96 H136 O32 -","4","2","CV2074","Zhao, Shan-Shan; Zhao, Ji-Quan; Li, Jian-Xun; Wang, Qian; Zhao, Dong-Min","5-tert-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yloxy]methyl}-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2006","62","8","o3372","o3373","10.1107/S1600536806026821","","","0.7107","MoKα","","0.0507","0.041","","","0.0971","0.1037","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209819","10.336","0.002","7.477","0.0015","11.76","0.002","90","","101.61","0.03","90","","890.2","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","8α,9α-Epoxy-7-oxoroyleanon","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","CV2078","Li Wu; Yang Lu; Qi-Tai Zheng; Xiao-Li Li; Qin-Shi Zhao","8α,9α-Epoxy-7-oxoroyleanon","Acta Crystallographica Section E","2006","62","8","o3269","o3270","10.1107/S1600536806025657","","","0.71073","MoKα","","0.0654","0.0599","","","0.1484","0.1524","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209834","8.1881","0.0011","7.0491","0.001","14.094","0.002","90","","100.553","0.002","90","","799.73","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","FB2007","Yong-Hong Wen; Hui-Ling Wen; Xue-Mei Li; Li-Li Xu; Shu-Sheng Zhang","N-(3-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2006","62","8","o3414","o3415","10.1107/S1600536806027140","","","0.71073","MoKα","","0.0683","0.0469","","","0.0895","0.0975","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209844","10.0296","0.0014","12.7262","0.0017","11.4028","0.0016","90","","98.942","0.002","90","","1437.7","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,3a'R,4'R,5'S,6'R)-4',5'-isoprolidenedioxy-6'-(trityloxymethyl) -2'-oxotetrahydro-1H-spiro[pyrrolidine-2,3'-pyrrolo[1,2-b]isoxazole] -1-carbaldehyde","(2S,3a'R,4'R,5'S,6'R)-4',5'-Isoprolidenedioxy-6'-(trityloxymethyl)-2'- oxotetrahydro-1H-spiro[pyrrolidine-2,3'- pyrrolo[1,2-b]isoxazole]-1-carbaldehyde","","- C33 H34 N2 O6 -","- C33 H34 N2 O6 -","- C66 H68 N4 O12 -","2","1","HB2085","Chu-Yi Yu; Ying Fu","(2S,3a'R,4'R,5'S,6'R)-4',5'-Isoprolidenedioxy-6'-(trityloxymethyl)-2'-oxotetrahydro-1H-spiro[pyrrolidine-2,3'-pyrrolo[1,2-b]isoxazole]-1-carbaldehyde","Acta Crystallographica Section E","2006","62","8","o3172","o3173","10.1107/S1600536806024500","","","0.71073","MoKα","","0.0788","0.0396","","","0.0821","0.1018","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209864","11.66","0.004","7.4","0.003","16.632","0.006","90","","91.654","0.006","90","","1434.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dammaradienyl acetate","4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C32 H52 O2 -","- C32 H52 O2 -","- C64 H104 O4 -","2","1","HG2064","Rui Liu; Xiao-Bing Wang; Ling-Yi Kong","Dammaradienyl acetate","Acta Crystallographica Section E","2006","62","8","o3544","o3546","10.1107/S1600536806028340","","","0.71073","MoKα","","0.1123","0.0562","","","0.1565","0.192","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209900","8.297","0.005","17.069","0.003","13.957","0.003","90","","90.82","0.03","90","","1976.4","1.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Λ~L~-(L-Cysteinato-κ^2^N,S)bis(ethylenediamine- κ^2^N,N')cobalt(III) bis(perchlorate) sesquihydrate","","- C7 H25 Cl2 Co N5 O11.5 S -","- C7 H25 Cl2 Co N5 O11.5 S -","- C28 H100 Cl8 Co4 N20 O46 S4 -","4","2","IS2061","Takashi Aridomi; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno","Λ~L~-(L-Cysteinato-κ^2^N,S)bis(ethylenediamine-κ^2^N,N')cobalt(III) bis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2006","62","8","m1838","m1840","10.1107/S1600536806026626","","","0.71069","MoKα","","0.1614","0.0516","","","0.1233","0.1542","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209933","8.769","0.003","9.598","0.004","9.583","0.004","90","","97.829","0.006","90","","799","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-2,2'-(Ethane-1,2-diyldiiminio)dibutan-1-ol dinitrate","","- C10 H26 N4 O8 -","- C10 H26 N4 O8 -","- C20 H52 N8 O16 -","2","1","LH2119","Bai, Guo-Yi; Ning, Hui-Sen; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng","(S,S)-2,2'-(Ethane-1,2-diyldiiminio)dibutan-1-ol dinitrate","Acta Crystallographica Section E","2006","62","8","o3364","o3365","10.1107/S1600536806026778","","","0.7107","MoKα","","0.0419","0.0374","","","0.0788","0.0821","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209953","12.362","0.003","10.489","0.003","22.958","0.004","90","","103.17","0.03","90","","2898.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-3-(4-Amino-3-nitrophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid dichloromethane disolvate","","- C26 H25 Cl4 N3 O6 -","- C26 H25 Cl4 N3 O6 -","- C104 H100 Cl16 N12 O24 -","4","2","LH2148","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Staszewska, Anna; Szewczuk, Zbigniew; Bryndal, Iwona; Lis, Tadeusz","(2S)-3-(4-Amino-3-nitrophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid dichloromethane disolvate","Acta Crystallographica Section E","2006","62","8","o3555","o3557","10.1107/S1600536806028273","","","0.71073","MoKα","","0.1114","0.0614","","","0.1004","0.112","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209954","7.518","0.0015","6.715","0.0013","17.161","0.003","90","","102.75","0.03","90","","845","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","danshenol A","10-Acetonyl-10-hydroxy-1,6-dimethyl-1,2,10,11- tetrahydrophenanthro[1,2-b]furan-11-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","NC2018","Ying Chang; Gang Xu; Qin-Shi Zhao; Yang Lu; Qi-Tai Zheng","10-Acetonyl-10-hydroxy-1,6-dimethyl-1,2,10,11-tetrahydrophenanthro[1,2-b]furan-11-one","Acta Crystallographica Section E","2006","62","8","o3235","o3236","10.1107/S1600536806025438","","","0.71073","MoKα","","0.0661","0.0649","","","0.1766","0.1789","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209957","11.52","0.002","11.079","0.002","12.169","0.002","90","","115.12","0.03","90","","1406.2","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-Bis[(+)-(1R,4R)-3-benzoylcamphorato-κ^2^O,O']copper(II)","","- C34 H38 Cu O4 -","- C34 H38 Cu O4 -","- C68 H76 Cu2 O8 -","2","1","NG2041","Seo, Jang Woo; Niemeyer, Mark","trans-Bis[(+)-(1R,4R)-3-benzoylcamphorato-κ^2^O,O']copper(II)","Acta Crystallographica Section E","2006","62","8","m1863","m1865","10.1107/S1600536806027073","","","0.71073","MoKα","","0.0437","0.0371","","","0.09","0.0946","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209970","11.249","0.002","6.179","0.0012","17.276","0.004","90","","103.04","0.03","90","","1169.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-2-{(E)-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl- 1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyliminomethyl}phenol monohydrate","","- C27 H34 Cl N O -","- C27 H34 Cl N O -","- C54 H68 Cl2 N2 O2 -","2","1","OM2030","Xiao-Ping Rao; Zhan-Qian Song; Yun Gong; Xu-Jie Yao; Shi-Bin Shang","4-Chloro-2-{(E)-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyliminomethyl}phenol","Acta Crystallographica Section E","2006","62","8","o3450","o3451","10.1107/S1600536806027747","","","0.71073","MoKα","","0.1017","0.0605","","","0.1352","0.1597","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210038","8.459","0.002","7.4681","0.0019","11.701","0.003","90","","95.173","0.005","90","","736.2","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl cis-deisopropyldehydroabietate","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","YM2011","Heng-Shan Wang; Xiu-Rong Wu; Ying-Ming Pan; Ye Zhang; Yong Zhang","Methyl cis-deisopropyldehydroabietate","Acta Crystallographica Section E","2006","62","8","o3166","o3167","10.1107/S1600536806024640","","","0.7107","MoKα","","0.028","0.027","","","0.072","0.072","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210062","3.7834","0.0003","13.3967","0.0013","10.0703","0.0008","90","","97.635","0.006","90","","505.89","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-diaminopyridinium hydrogen fumarate","","- C9 H11 N3 O4 -","- C9 H11 N3 O4 -","- C18 H22 N6 O8 -","2","1","AT2081","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","2,6-Diaminopyridinium hydrogen fumarate","Acta Crystallographica Section E","2006","62","9","o3816","o3818","10.1107/S1600536806031096","","","0.71073","MoKα","","0.0332","0.0281","","","0.0674","0.0696","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210075","4.0025","0.0001","10.7048","0.0003","14.6451","0.0005","90","","91.789","0.002","90","","627.18","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E)-1-(3-Bromo-2-thienyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C14 H11 Br O2 S -","- C14 H11 Br O2 S -","- C28 H22 Br2 O4 S2 -","2","1","BG2004","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Bindya, S.; Narayana, B.","(2E)-1-(3-Bromo-2-thienyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o4164","o4165","10.1107/S1600536806033824","","","0.71073","MoKα","","0.0255","0.0231","","","0.0549","0.0556","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210083","14.757","0.002","6.069","0.002","9.109","0.004","90","","104.02","0.06","90","","791.5","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(4R,5S)-4-Methyl-5-phenyl-3-[-2(S)-phenylpropionyl]- oxazolidin-2-one","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","BI2029","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Malatesti, Nela; Yohannes, Yonas","(+)-(4R,5S)-4-Methyl-5-phenyl-3-[2(S)-phenylpropionyl]oxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4032","o4034","10.1107/S1600536806031813","","","0.71073","MoKα","","0.0311","0.0283","","","0.0733","0.075","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210084","13.066","0.008","9.509","0.008","7.201","0.004","90","","102.95","0.04","90","","871.9","1","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-(4R,5S)-4-Methyl-3-[2(R)-(4-methylphenyl)propionyl]- 5-phenyloxazolidin-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","BI2030","Chavda, Sameer; Eames, Jason; Flinn, Anthony; Motevalli, Majid; Malatesti, Nela","(‒)-(4R,5S)-4-Methyl-3-[2(R)-(4-methylphenyl)propionyl]-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4037","o4038","10.1107/S1600536806031825","","","0.71073","MoKα","","0.0446","0.0322","","","0.0726","0.0775","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210087","11.268","0.007","10.493","0.005","15.008","0.009","90","","102.96","0.04","90","","1729.3","1.7","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-(4R,5S)-4-Methyl-3-[2(S)-phenoxypropionyl]- 5-phenyloxazolidin-2-one","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","BI2033","Chavda, Sameer; Eames, Jason; Motevalli, Majid; Malatesti, Nela","(‒)-(4R,5S)-4-Methyl-3-[2(S)-phenoxypropionyl]-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4043","o4045","10.1107/S1600536806031850","","","0.71069","MoKα","","0.046","0.0285","","","0.0607","0.0666","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210104","11.691","0.002","9.336","0.003","12.37","0.002","90","","114.82","0.03","90","","1225.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Farnasiaside","(1S,3aR,5aR,6S,6aR,7S,9R,11aS,11bR,11cS)-7- (beta-D-glucopyranosyloxy)dodecahydro-1,6- dihydroxy-3a,11b-dimethyl-8-methylene-1H- 6a,9-Methanocyclohept[2,3]indeno[4,5-c] furan-3(3aH)-one","","- C26 H38 O10 -","- C26 H38 O10 -","- C52 H76 O20 -","2","1","BT2140","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Banerjee, Sukdeb; Mondal, Nirup Bikash","Farnesiaside, a new diterpene glycoside","Acta Crystallographica Section E","2006","62","9","o4007","o4009","10.1107/S1600536806031722","","","1.54178","CuKα","","0.0304","0.0298","","","0.0847","0.0853","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210134","11.8967","0.0007","7.3825","0.0004","15.6221","0.0009","90","","101.359","0.003","90","","1345.17","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium (S)-2-(2-bromophenoxy)propanoate 1.4-hydrate","","- C30 H33.8 Br N2 O6.4 -","- C30 H33.8 Br N2 O6.4 -","- C60 H67.6 Br2 N4 O12.8 -","2","1","BV2029","Lineberry, Aaron M.; Wheeler, Kraig A.","Strychninium (S)-2-(2-bromophenoxy)propanoate 1.4-hydrate","Acta Crystallographica Section E","2006","62","9","o3870","o3872","10.1107/S1600536806030704","","","0.71073","MoKα","","0.0443","0.0316","","","0.0631","0.0658","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210172","10.971","0.004","6.274","0.002","13.54","0.004","90","","103.115","0.005","90","","907.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-(4-fluorophenyl)-8H-benzo[h]indeno[1,2-b]quinolin-8-one","","- C26 H14 F N O -","- C26 H14 F N O -","- C52 H28 F2 N2 O2 -","2","1","CI2145","Shu-Jiang Tu; Yan Zhang; Run-Hong Jia","7-(4-Fluorophenyl)-8H-benzo[h]indeno[1,2-b]quinolin-8-one","Acta Crystallographica Section E","2006","62","9","o3928","o3929","10.1107/S1600536806032430","","","0.71073","MoKα","","0.0783","0.0387","","","0.075","0.0894","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210209","7.1721","0.0003","7.9624","0.0003","14.5849","0.0006","90","","95.719","0.002","90","","828.76","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,7R)-2-Benzyloxy-7-bromomethyl-1,2,7-trimethylbicyclo[2.2.1]heptane","","- C18 H25 Br O -","- C18 H25 Br O -","- C36 H50 Br2 O2 -","2","1","EZ2019","Ya-Wen Wang; Yu Peng","(2S,7R)-2-Benzyloxy-7-bromomethyl-1,2,7-trimethylbicyclo[2.2.1]heptane","Acta Crystallographica Section E","2006","62","9","o3885","o3886","10.1107/S1600536806031606","","","0.71073","MoKα","","0.065","0.038","","","0.087","0.096","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210223","11.572","0.0002","9.2793","0.0002","13.1937","0.0003","90","","90.5971","0.0008","90","","1416.66","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4:5,6-Di-O-isopropylidene-3-C-hydroxymethyl-D-altrono-1,3'-lactone","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","2","FL2021","Parker, Samuel G.; Watkin, David J.; Simone, Michela I.; Fleet, George W. J.","3,4:5,6-Di-O-isopropylidene-3-C-hydroxymethyl-D-altrono-1,3'-lactone","Acta Crystallographica Section E","2006","62","9","o3961","o3963","10.1107/S1600536806015881","","","0.71073","MoKα","","0.0352","0.0294","","0.0736","0.0697","0.0697","","","","","","0.9732","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210258","5.224","0.0005","9.3265","0.0014","14.8968","0.0016","90","","95.622","0.009","90","","722.31","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Br O3 S -","- C15 H13 Br O3 S -","- C30 H26 Br2 O6 S2 -","2","1","HB2128","Yathirajan, H.S.; Sarojini, B.K.; Narayana, B.; Bindya, S; Bolte, Michael","(2E)-1-(3-Bromo-2-thienyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o4048","o4049","10.1107/S1600536806033563","","","0.71073","MoKα","","0.0692","0.0666","","","0.1774","0.1809","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210285","11.565","0.004","5.7481","0.0018","11.666","0.004","90","","117.309","0.005","90","","689.1","0.4","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(Benzotriazol-1-yl)-1-p-tolylpropan-1-one","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","HK2099","Jun Wan; Yue-Qin Yu; Zheng-Zhong Peng; Sai Bi; Shu-Sheng Zhang","3-(Benzotriazol-1-yl)-1-p-tolylpropan-1-one","Acta Crystallographica Section E","2006","62","9","o3712","o3713","10.1107/S160053680603025X","","","0.71073","MoKα","","0.0839","0.0553","","","0.1221","0.1378","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210300","10.7278","0.0006","13.8859","0.0006","11.1108","0.0007","90","","118.22","0.002","90","","1458.39","0.14","293","2","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","{tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II) bis(perchlorate)","","- C21 H30 Cl2 Cu N10 O8 -","- C21 H30 Cl2 Cu N10 O8 -","- C42 H60 Cl4 Cu2 N20 O16 -","2","1","IS2053","He, Hong-Shan","A second polymorph of {tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II) diperchlorate","Acta Crystallographica Section E","2006","62","9","m2156","m2158","10.1107/S1600536806028868","","","0.71073","MoKα","","0.0946","0.0824","","","0.2332","0.2435","","","","","","1.088","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210310","10.554","0.002","9.708","0.002","10.599","0.003","90","","103.299","0.003","90","","1056.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-tetra-O-acetyl-2-chloroethyl-β-D-galactopyranoside","","- C16 H23 Cl O10 -","- C16 H23 Cl O10 -","- C32 H46 Cl2 O20 -","2","1","KP2040","Xiao-Ru Zhang; Xiao-Hui Yang; Xue-Mei Li; Shu-Sheng Zhang","2,3,4,6-Tetra-O-acetyl-2-chloroethyl-β-D-galactopyranoside","Acta Crystallographica Section E","2006","62","9","o3657","o3659","10.1107/S1600536806029242","","","0.71073","MoKα","","0.0585","0.0503","","","0.132","0.141","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210330","6.7757","0.0002","27.7655","0.0006","14.8433","0.0003","90","","101.434","0.0008","90","","2737.06","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H28 O7 -","- C17 H28 O7 -","- C102 H168 O42 -","6","3","LH2158","Håkansson, Anders E.; van Ameijde, Jeroen; Horne, Graeme; Guglielmini, Luisa; Nash, Robert J.; Fleet, George W.J.; Watkin, David J.","2,3:6,7-Di-O-diethylidene-D-glycero-L-talo-heptono-1,4-lactone","Acta Crystallographica Section E","2006","62","9","o3890","o3892","10.1107/S1600536806031618","","","0.71073","MoKα","","0.0519","0.0519","","0.1127","0.1127","0.1127","","","","","","0.9689","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210349","9.829","0.0012","6.658","0.0018","16.566","0.002","90","","99.91","0.009","90","","1067.9","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","","vespertilin acetate","3β-Acetoxy-16β-hydroxypregn-5-ene-20-carboxylic acid 16-lactone","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","OB2039","Flores-Alamo, Marcos; Rosiles-Exkiws, Jose A.; Iglesias-Arteaga, Martin A.","3β-Acetoxy-16β-hydroxypregn-5-ene-20-carboxylic acid 16-lactone (vespertilin acetate)","Acta Crystallographica Section E","2006","62","9","o3774","o3775","10.1107/S1600536806030728","","","0.71073","MoKα","","0.0635","0.0469","","","0.1167","0.1272","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210377","5.6357","0.0016","9.177","0.003","10.308","0.003","90","","98.95","0.004","90","","526.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-sulfonato-L-phenylalaninium","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C18 H22 N2 O10 S2 -","2","1","SJ2096","E Yang; Fa-Fu Yang","L-Phenylalaninium 4-sulfonate","Acta Crystallographica Section E","2006","62","9","o3895","o3896","10.1107/S1600536806031291","","","0.71073","MoKα","","","0.0253","","","0.0661","0.0665","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210383","4.0243","0.0005","14.3117","0.0012","11.1107","0.0012","90","","94.002","0.009","90","","638.36","0.12","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","3-(4-acetylanilino)phthalide","3-(4-acetylanilino)isobenzofuran-1(3H)-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","SJ2102","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Acetylanilino)isobenzofuran-1(3H)-one","Acta Crystallographica Section E","2006","62","9","o4145","o4147","10.1107/S1600536806032570","","","0.71073","MoKα","","0.0372","0.0293","","","0.0678","0.0713","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210392","13.02","0.01","5.447","0.005","14.52","0.01","90","","97.34","0.04","90","","1021.3","1.4","123","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)(D-gluconato-κ^2^O,O')copper(II) trihydrate","","- C16 H27 Cu N3 O11 -","- C16 H27 Cu N3 O11 -","- C32 H54 Cu2 N6 O22 -","2","1","TK2064","Masahiro Yodoshi; Mamiko Odoko; Nobuo Okabe","Aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)(D-gluconato-κ^2^O,O')copper(II) trihydrate","Acta Crystallographica Section E","2006","62","9","m2021","m2023","10.1107/S1600536806029102","","","0.7107","MoKα","","","0.045","","","","0.086","","","","","","0.853","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2210556","8.3939","0.0007","14.9227","0.0013","10.0939","0.0009","90","","92.166","0.002","90","","1263.46","0.19","273","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Matrinium picrolonate 0.28-hydrate","(7aS,13aR,13bR,13cS)-10-oxo-dodecahydro-1H,5H,8H-dipyrido[2,1-f:3',2',1'- ij][1,6]naphthyridinium 3-methyl-4-nitro-1-(4-nitrophenyl)-5-oxo-2-pyrazolinate 0.28-hydrate","","- C25 H32.56 N6 O6.28 -","- C25 H32.56 N6 O6.28 -","- C50 H65.12 N12 O12.56 -","2","1","CS2014","Bing Tu; Zhan Su; Hui Min Zhang; Xing Jü Ma; Zhi-Min Jin","Matrinium picrolonate 0.28-hydrate","Acta Crystallographica Section E","2006","62","10","o4270","o4271","10.1107/S1600536806033277","","","0.71073","MoKα","","0.0544","0.0505","","","0.1199","0.1222","","","","","","1.134","","","","has coordinates,has disorder","176787","2020-10-21","18:00:00",""
"2210571","6.467","0.0005","19.116","0.002","7.7037","0.0016","90","","92.344","0.011","90","","951.6","0.2","294","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetraaquabis(1-carboxylatomethylpyridinium-4-carboxylato)nickel(II)","","- C16 H20 N2 Ni O12 -","- C16 H20 N2 Ni O12 -","- C32 H40 N4 Ni2 O24 -","2","1","DN2051","Hong-Song Li; Song Li; Song-Lin Li","Tetraaquabis(1-carboxylatomethylpyridinium-4-carboxylato)nickel(II)","Acta Crystallographica Section E","2006","62","10","m2487","m2488","10.1107/S1600536806023993","","","0.71073","MoKα","","0.0367","0.0319","","","0.0752","0.0776","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210577","10.3925","0.0017","6.0362","0.001","11.2115","0.0019","90","","103.413","0.002","90","","684.1","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,8S)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^- phosphaspiro[4.4]nonane-2,7-dione","","- C10 H19 N2 O4 P -","- C10 H19 N2 O4 P -","- C20 H38 N4 O8 P2 -","2","1","DN2061","Cao, Shu-Xia; Liu, Jin-Ming; Xie Ya-Li; Liao, Xin-Cheng; Zhao, Yu-Fen","(3S,8S)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione","Acta Crystallographica Section E","2006","62","10","o4642","o4643","10.1107/S1600536806037792","","","0.71073","MoKα","","0.0651","0.0526","","","0.1251","0.1361","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210584","8.9971","0.0017","10.3052","0.0019","13.954","0.003","90","","95.374","0.003","90","","1288.1","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate benzene solvate","","- C27 H26 N4 O5 S -","- C27 H26 N4 O5 S -","- C54 H52 N8 O10 S2 -","2","1","EZ2032","Xiu-Ling Liu","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate benzene solvate","Acta Crystallographica Section E","2006","62","10","o4431","o4432","10.1107/S1600536806036439","","","0.7107","MoKα","","0.042","0.032","","","0.069","0.083","","","","","","0.96","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210597","11.521","0.003","9.072","0.004","12.535","0.003","90","","108.24","0.02","90","","1244.3","0.7","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[5-(Hydroxy-1-methylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol","","- C11 H22 O4 -","- C11 H22 O4 -","- C44 H88 O16 -","4","2","FL2050","Grant A. Boyle; Hendrik G. Kruger; Glenn E. M. Maguire; Melanie Rademeyer","(4R,5R)-Bis(hydroxydimethylmethyl)-2,2-dimethyl-1,3-dioxolane","Acta Crystallographica Section E","2006","62","10","o4339","o4341","10.1107/S1600536806035136","","","0.71073","MoKα","","0.0508","0.046","","","0.1274","0.1337","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210630","5.5281","0.0004","12.8677","0.0009","11.092","0.0009","90","","92.953","0.003","90","","787.97","0.1","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3-[(E)-3-(2-Furyl)acryloyl]-5,5-dimethyl-4-phenyloxazolidin-2-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","HB2140","Lei Nie; Rui Yang; Juan Wang; Sheng-Jiao Yan; Jun Lin","(R)-3-[(E)-3-(2-Furyl)acryloyl]-5,5-dimethyl-4-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","10","o4493","o4494","10.1107/S1600536806036890","","","0.71073","MoKα","","0.0323","0.0306","","","0.0833","0.0853","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210642","8.7105","0.0016","9.5778","0.0018","18.104","0.003","90","","100.761","0.018","90","","1483.8","0.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[μ-rel-(3R,6S)-10,22-Dichloro-3,6-dimethyl-3,6,14,18- tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(24),8,10,12(25),13,18,20,22- octane-24,25-diolato- κ^4^N^3^,N^6^,O^24^,O^25^:κ^4^N^14^,N^18^,O^24^,O^25^]dicopper(II) perchlorate","","- C23 H26 Cl4 Cu2 N4 O10 -","- C23 H26 Cl4 Cu2 N4 O10 -","- C46 H52 Cl8 Cu4 N8 O20 -","2","1","HG2075","Huan Liu; Yi-Zhi Li; Dan Hu; Zhi-Quan Pan; Xue-Lei Hu","[μ-rel-(3R,6S)-10,22-Dichloro-3,6-dimethyl-3,6,14,18-tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(24),8,10,12(25),13,18,20,22-octane-24,25-diolato-κ^4^N^3^,N^6^,O^24^,O^25^:κ^4^N^14^,N^18^,O^24^,O^25^]dicopper(II) perchlorate","Acta Crystallographica Section E","2006","62","10","m2530","m2531","10.1107/S1600536806035859","","","0.71073","MoKα","","0.0779","0.0612","","","0.1217","0.126","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210687","4.023","0.004","7.948","0.008","12.445","0.012","90","","92.803","0.018","90","","397.5","0.7","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Nethylphthalimide","2-methylisoindoline-1,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C18 H14 N2 O4 -","2","1","KJ2028","Liang, Zu-Pei; Li, Jian","N-Methylphthalimide","Acta Crystallographica Section E","2006","62","10","o4274","o4275","10.1107/S1600536806034933","","","0.71073","MoKα","","0.0958","0.0489","","","0.1105","0.1323","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210786","3.887","0.001","13.638","0.002","13.231","0.002","90","","94.546","0.002","90","","699.2","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-[1-(3,5-Dichloro-2-hydroxyphenyl)methylidene]isonicotinohydrazide monohydrate","","- C13 H11 Cl2 N3 O3 -","- C13 H11 Cl2 N3 O3 -","- C26 H22 Cl4 N6 O6 -","2","1","SJ2118","De-Suo Yang; Jin-Bao Guo","2'-[1-(3,5-Dichloro-2-hydroxyphenyl)methylidene]isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2006","62","10","o4414","o4415","10.1107/S1600536806035811","","","0.71073","MoKα","","0.0405","0.0354","","","0.0764","0.0793","","","","","","1.024","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210797","10.492","0.002","12.849","0.003","18.645","0.005","90","","97.949","0.01","90","","2489.4","1","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(8S)-3-(2-Deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentafuranosyl)-3,6,7,8- tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol","","- C27 H28 N4 O6 -","- C27 H28 N4 O6 -","- C108 H112 N16 O24 -","4","2","TK2068","Li-Ping Gao; Ping-Dong Wu; Xiu-Rong Hu; Jian-Ming Gu","(8S)-3-(2-Deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol","Acta Crystallographica Section E","2006","62","10","o4216","o4218","10.1107/S1600536806029497","","","0.71075","MoKα","","","0.036","","","","0.06","","","","","","1","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210841","11.745","0.003","10.343","0.002","22.722","0.005","90","","102.838","0.004","90","","2691.2","1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Phillyrin sesquihydrate","","- C27 H37 O12.5 -","- C27 H37 O12.5 -","- C108 H148 O50 -","4","2","YA2022","Ren-Jie Yin; Xiao-Bing Wang; Ling-Yi Kong","Phillyrin sesquihydrate","Acta Crystallographica Section E","2006","62","10","o4606","o4608","10.1107/S1600536806037834","","","0.71073","MoKα","","0.122","0.052","","","0.11","0.14","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210974","7.532","0.008","8.256","0.009","12.872","0.013","90","","96.283","0.004","90","","795.6","1.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(2-Methylphenyl)-C-(3,4,5-trimethoxyphenyl)nitrone","2-Methyl-N-(3,4,5-trimethoxybenzylidene)aniline N-oxide","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","DN3023","Naveen, S.; Sadashiva, M. P.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","2-Methyl-N-(3,4,5-trimethoxybenzylidene)aniline N-oxide","Acta Crystallographica Section E","2006","62","11","o4793","o4795","10.1107/S1600536806039791","","","0.71073","MoKα","","0.0399","0.0375","","","0.0975","0.0995","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210981","6.343","0.002","15.305","0.005","10.78","0.004","90","","93.727","0.006","90","","1044.3","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O6 S -","- C21 H19 N3 O6 S -","- C42 H38 N6 O12 S2 -","2","1","EZ2040","Chen, Xin; Yu, Ming","(E)-1-[3-Methoxy-4-(4-methylphenylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine: a monoclinic polymorph","Acta Crystallographica Section E","2006","62","11","o2924","o2925","10.1107/S1600536806040840","","","0.71073","MoKα","","0.07","0.039","","","0.083","0.098","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210982","7.0532","0.0014","14.637","0.003","9.7455","0.0019","90","","107.47","0.03","90","","959.7","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexaaquamagnesium(II) bis(5-carboxy-1H-imidazole-4-carboxylate) dihydrate","","- C10 H22 Mg N4 O16 -","- C10 H22 Mg N4 O16 -","- C20 H44 Mg2 N8 O32 -","2","1","EZ2041","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Hexaaquamagnesium(II) bis(5-carboxy-1H-imidazole-4-carboxylate) dihydrate","Acta Crystallographica Section E","2006","62","11","m2898","m2900","10.1107/S1600536806041821","","","0.71073","MoKα","","0.038","0.03","","","0.064","0.067","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211008","10.2917","0.0001","3.897","0.0001","17.0919","0.0002","90","","107.313","0.001","90","","654.44","0.02","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","3-(3-Bromophenyl)-1-(4-meyhoxyphenyl)prop-2-en-1-one","3-(3-Bromophenyl)-1-(4-meyhoxyphenyl)prop-2-en-1-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C32 H26 Br2 O4 -","2","1","GG2012","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; Vedavati G. Puranik; S. M. Dharmaprakash","3-(3-Bromophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4798","o4799","10.1107/S1600536806039778","","","0.71073","MoKα","","0.0289","0.0235","","","0.0568","0.0674","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211043","8.108","0.0015","19.074","0.003","17.217","0.003","90","","94.141","0.005","90","","2655.7","0.8","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","μ-1,4-Diazabicyclo[2.2.2]octane-κ^2^N:N'-bis[bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')cadmium(II)]","","- C30 H68 Cd2 N2 O8 P4 S8 -","- C30 H68 Cd2 N2 O8 P4 S8 -","- C60 H136 Cd4 N4 O16 P8 S16 -","2","1","HG2117","Ellis, Carol A.; Tiekink, Edward R. T.","μ-1,4-Diazabicyclo[2.2.2]octane-κ^2^N:N'-bis[bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')cadmium(II)]","Acta Crystallographica Section E","2006","62","11","m3049","m3051","10.1107/S1600536806043418","","","0.7107","MoKα","","0.059","0.056","","","0.114","0.117","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211054","5.569","0.0011","9.512","0.0019","13.372","0.003","90","","95.05","0.03","90","","705.6","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-1-imidazolyl-acetonitrile","","- C14 H10 Cl N3 S2 -","- C14 H10 Cl N3 S2 -","- C28 H20 Cl2 N6 S4 -","2","1","HK2138","Xiao, Tao; Lin, Yuan; Zhang, Xiao-Qing; Chen, Jing; Wang, Jin-Tang","(E)-2-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(imidazol-1-yl)acetonitrile","Acta Crystallographica Section E","2006","62","11","o5052","o5053","10.1107/S1600536806040736","","","0.71073","MoKα","","0.068","0.0593","","","0.1508","0.16","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211074","6.7336","0.0013","9.467","0.0019","13.757","0.003","90","","97.67","0.03","90","","869.1","0.3","297","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)","","- C19 H6 F6 O6 -","- C19 H6 F6 O6 -","- C38 H12 F12 O12 -","2","1","IS2082","Rui-Qin Zhong; Ru-Qiang Zou; Qiang Xu","4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)","Acta Crystallographica Section E","2006","62","11","o5148","o5149","10.1107/S1600536806042401","","","0.71073","MoKα","","0.0516","0.0298","","","0.0597","0.0731","","","","","","1.098","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211086","10.46","0.002","6.72","0.0013","16.086","0.003","90","","91.3","0.03","90","","1130.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dehydroabietic acid N-methyl-anilide","","- C27 H35 N O -","- C27 H35 N O -","- C54 H70 N2 O2 -","2","1","KJ2035","Xiao-Ping Rao; Zhan-Qian Song; Benyumin Radbil; Arkadyi Radbil","Dehydroabietic acid N-methylanilide","Acta Crystallographica Section E","2006","62","11","o5301","o5302","10.1107/S1600536806043935","","","0.71073","MoKα","","0.0951","0.0637","","","0.1568","0.1792","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211096","6.332","0.002","10.729","0.002","13.787","0.002","90","","100.04","0.03","90","","922.3","0.4","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","17-Oxo-13α-androst-5-en-3β-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","LH2163","Bunkóczi, G.; Cuesta Seijo, J. A.; Szájli, Á.; Schneider, G.; Wölfling, J.","17-Oxo-13α-androst-5-en-3β-yl acetate","Acta Crystallographica Section E","2006","62","11","o5078","o5079","10.1107/S160053680604222X","","","0.71073","MoKα","","0.0431","0.0393","","","0.0985","0.1011","","","","","","0.908","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211097","14.5","0.003","6.9301","0.0014","17.267","0.004","90","","93.352","0.004","90","","1732.1","0.6","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cimigenol-3-O-b-D-xylopranoside","(23R, 24S)-16b,23:16a,24-diepoxy-15a,25-dihydroxy-9, 19-cyclolanostane-3-O-b-D-xylopyranoside","","- C36 H60 O10 -","- C36 H60 O10 -","- C72 H120 O20 -","2","1","LH2176","Yunshuang Fan; Wei Jia; Yoshihisa Takaishi; Hong-Quan Duan","Cimigenol-3-O-β-D-xylopranoside methanol solvate","Acta Crystallographica Section E","2006","62","11","o4884","o4886","10.1107/S1600536806040153","","","0.71073","MoKα","","0.1178","0.0573","","","0.1447","0.1827","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2211121","8.5195","0.0009","5.7511","0.0006","11.958","0.001","90","","105.32","0.01","90","","565.08","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(diphenylphosphinoyl)hydroxylamine","","- C12 H12 N O2 P -","- C12 H12 N O2 P -","- C24 H24 N2 O4 P2 -","2","1","LH2221","Blatch, Alexandrea J.; Howard, Judith A. K.; Probert, Michael R.; Whiting, Andrew","N-(Diphenylphosphinoyl)hydroxylamine","Acta Crystallographica Section E","2006","62","11","o5343","o5345","10.1107/S1600536806044862","","","0.71073","MoKα","","0.0447","0.0393","","","0.0935","0.0971","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211182","10.884","0.002","17.578","0.004","11.078","0.002","90","","116.97","0.03","90","","1888.9","0.8","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Adipatobis(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)manganese(II) dihydrate","","- C44 H36 Mn N8 O6 -","- C44 H36 Mn N8 O6 -","- C88 H72 Mn2 N16 O12 -","2","1","SA2013","Shou-Cai Zhang; Jun Sun; Zhi-Xin Yu; Xiao-Hong Zhao","Adipatobis(2-phenyl-1H-1,3,7,8-tetraazacyclopenta[l]phenanthrene)manganese(II) dihydrate","Acta Crystallographica Section E","2006","62","11","m2893","m2894","10.1107/S1600536806041869","","","0.71073","MoKα","","0.0644","0.043","","","0.0896","0.0975","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211186","14.8103","0.0019","9.3896","0.0016","7.6195","0.0011","90","","104.504","0.01","90","","1025.8","0.3","295.2","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxymethyl-1-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl) -1,2,3-triazole","","- C17 H23 N3 O10 -","- C17 H23 N3 O10 -","- C34 H46 N6 O20 -","2","1","SF2008","Brendan L. Wilkinson; Laurent F. Bornaghi; Todd A. Houston; Sally-Ann Poulsen; Alan R. White","4-Hydroxymethyl-1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-1,2,3-triazole","Acta Crystallographica Section E","2006","62","11","o5065","o5067","10.1107/S1600536806040864","","","0.71069","MoKα","","0.0628","0.0379","","","0.0984","0.1096","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211233","10.5609","0.0014","6.445","0.0009","14.1161","0.0019","90","","110.475","0.002","90","","900.1","0.2","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(4-Chlorophenyl)hydroxymethyl]-5,5-dimethyl-4-phenyl-1,3,2- dioxaphosphorinan-2-one","","- C18 H20 Cl O4 P -","- C18 H20 Cl O4 P -","- C36 H40 Cl2 O8 P2 -","2","1","WN2074","Zuo, Na; He, Hong-Wu","2-[(4-Chlorophenyl)hydroxymethyl]-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan-2-one","Acta Crystallographica Section E","2006","62","11","o4864","o4865","10.1107/S1600536806039948","","","0.71073","MoKα","","0.0742","0.0543","","","0.1029","0.1124","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211235","5.4819","0.0015","10.64","0.003","9.034","0.002","90","","103.9","0.004","90","","511.5","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(1,3-Dioxoisoindolin-2-yl)propanoic acid","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","WN2077","Li, Jian; Liang, Zu-Pei","(S)-2-(1,3-Dioxoisoindolin-2-yl)propanoic acid","Acta Crystallographica Section E","2006","62","11","o4915","o4916","10.1107/S1600536806040323","","","0.71073","MoKα","","0.0459","0.0354","","","0.0824","0.0897","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211269","9.1655","0.0008","5.8452","0.0005","10.5282","0.0009","90","","106.563","0.004","90","","540.64","0.08","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-O-Isopropylidene-6-thio-α-D-glucofuranose","","- C9 H16 O5 S -","- C9 H16 O5 S -","- C18 H32 O10 S2 -","2","1","AT2162","Luboradzki, Roman; Pakulski, Zbigniew; Piekutowska, Marta","1,2-O-Isopropylidene-6-thio-α-D-glucofuranose","Acta Crystallographica Section E","2006","62","12","o5832","o5833","10.1107/S1600536806049634","","","0.71073","MoKα","","0.0658","0.0515","","","0.1044","0.1303","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211302","9.485","0.004","5.1678","0.0006","11.258","0.002","90","","92.97","0.03","90","","551.1","0.3","299","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 Br N2 O4 -","- C6 H15 Br N2 O4 -","- C12 H30 Br2 N4 O8 -","2","1","BI2106","Fischer, Andreas","D-Alanine alaninium bromide","Acta Crystallographica Section E","2006","62","12","o5786","o5788","10.1107/S1600536806048288","","","0.71073","MoKα","","0.065","0.054","","","0.124","0.134","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211363","8.1504","0.0013","8.4608","0.0014","9.6959","0.0016","90","","98.036","0.002","90","","662.05","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-(2-Furyl)-3-methyl-1-(4-nitrophenyl)-2-pyrazoline","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C28 H26 N6 O6 -","2","1","DN2085","Yin, Zhi-Gang; Xu, Pei-Yuan; Qian, Heng-Yu; Zhou, Na; Liu, Sheng-Min","5-(2-Furyl)-3-methyl-1-(4-nitrophenyl)-2-pyrazoline","Acta Crystallographica Section E","2006","62","12","o5508","o5509","10.1107/S1600536806046782","","","0.71073","MoKα","","0.0622","0.0361","","","0.0777","0.0907","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211378","7.254","0.006","4.475","0.004","13.506","0.01","90","","98.774","0.013","90","","433.3","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ethylisoindoline-1,3-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","FB2023","Liang, Zu-Pei; Li, Jian","2-Ethylisoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","12","o5439","o5440","10.1107/S1600536806045673","","","0.71073","MoKα","","0.0795","0.0453","","","0.0965","0.1134","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211425","6.39","0.0013","5.038","0.001","19.255","0.004","90","","97.98","0.03","90","","613.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol","","- C14 H9 Cl N2 O2 -","- C14 H9 Cl N2 O2 -","- C28 H18 Cl2 N4 O4 -","2","1","HB2194","Ding, Wei-Lin; Shen, Yong-Mei; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo","2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol","Acta Crystallographica Section E","2006","62","12","o5592","o5593","10.1107/S1600536806047052","","","0.71073","MoKα","","0.0909","0.0529","","","0.118","0.1397","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211435","6.511","0.0013","5.172","0.001","18.763","0.004","90","","99.14","0.03","90","","623.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenol","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","HB2209","Ding, Wei-Lin; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo; Shen, Yong-Mei","2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenol","Acta Crystallographica Section E","2006","62","12","o5840","o5841","10.1107/S1600536806049361","","","0.71073","MoKα","","0.1041","0.0629","","","0.1515","0.1808","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211441","10.229","0.003","32.469","0.0018","10.686","0.0016","90","","90.13","0.013","90","","3549.1","1.2","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl- κ^2^C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate","","- C35 H37 Cl3 Fe N O P Pd -","- C35 H37 Cl3 Fe N O P Pd -","- C140 H148 Cl12 Fe4 N4 O4 P4 Pd4 -","4","2","HG2115","Qian, Heng-Yu; Cui, Xiu-Ling","Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl-κ^2^C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate","Acta Crystallographica Section E","2006","62","12","m3435","m3436","10.1107/S1600536806048471","","","0.71073","MoKα","","0.071","0.0617","","","0.1427","0.1462","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211449","8.216","0.001","6.927","0.001","10.987","0.002","90","","110.819","0.002","90","","584.47","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(N,N-dimethylpropane-1,3-diamine)thiocyanatonickel(II)]-μ- thiocyanato]","","- C7 H14 N4 Ni S2 -","- C7 H14 N4 Ni S2 -","- C14 H28 N8 Ni2 S4 -","2","1","HG2136","Guang Chen","catena-Poly[[(N,N-dimethylpropane-1,3-diamine)thiocyanatonickel(II)]-μ-thiocyanato]","Acta Crystallographica Section E","2006","62","12","m3509","m3510","10.1107/S1600536806049609","","","0.71073","MoKα","","0.0322","0.0294","","","0.0651","0.0667","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211515","9.2795","0.0002","6.7778","0.0001","9.8401","0.0002","90","","101.524","0.0009","90","","606.41","0.02","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-2-(Cyclohexylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C14 H21 N O -","- C14 H21 N O -","- C28 H42 N2 O2 -","2","1","LH2243","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(Z)-2-(Cyclohexylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5576","o5577","10.1107/S1600536806047453","","","0.71073","MoKα","","0.0322","0.0305","","","0.076","0.0774","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211555","7.1313","0.0005","35.442","0.003","9.3061","0.0016","90","","90.454","0.009","90","","2352","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","deoxy goniopypyrone","8-Hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","4","OB2083","Hari Kumar, B.; Babu Varghese; Jaya Kumar, G.; Ajitha Bai, M. D.","8-Hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2006","62","12","o5567","o5569","10.1107/S1600536806046599","","","1.5418","CuKα","","0.0538","0.0487","","","0.1417","0.1468","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211591","10.826","0.0011","6.5434","0.0007","13.004","0.0013","90","","111.774","0.002","90","","855.47","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S*,2S*,5S*,9S*,10S*,11R*,18R*)-9,10,18-trihydroxy-12,12-dimethyl-6-methylene- 17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecane-7,15-dione","","- C20 H26 O6 -","- C20 H26 O6 -","- C40 H52 O12 -","2","1","SA2019","Shi, Hao; Huang, Ming-Liang; Lü, Ya-Ping","(1S*,2S*,5S*,9S*,10S*,11R*,18R*)-9,10,18-Trihydroxy-12,12-dimethyl-6-methylene-17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecane-7,15-dione","Acta Crystallographica Section E","2006","62","12","o5472","o5474","10.1107/S1600536806046228","","","0.71073","MoKα","","0.0409","0.038","","","0.095","0.0964","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211594","14.5381","0.0016","5.5394","0.0006","14.6879","0.0016","90","","114.998","0.002","90","","1072","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(p-Tolylsulfonyl)propan-2-one","","- C10 H12 O3 S -","- C10 H12 O3 S -","- C40 H48 O12 S4 -","4","2","SA2024","Billing, David G.; Koning, Charles B. de; Michael, Joseph P.; Yillah, Ibrahim","1-(p-Tolylsulfonyl)propan-2-one","Acta Crystallographica Section E","2006","62","12","o5630","o5631","10.1107/S1600536806047635","","","0.71073","MoKα","","0.054","0.0394","","","0.0974","0.1042","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211662","6.2827","0.0001","19.5377","0.0003","7.5025","0.0001","90","","95.923","0.001","90","","916.01","0.02","100","0.1","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-(4-Hydroxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","2-(4-Hydroxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","","- C20 H18 Br N O4 S -","- C20 H18 Br N O4 S -","- C40 H36 Br2 N2 O8 S2 -","2","1","WN2084","Suchada Chantrapromma; Pumsak Ruanwas; Hoong-Kun Fun; P. S. Patil","2-(4-Hydroxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5494","o5496","10.1107/S1600536806046137","","","0.71073","MoKα","","0.0248","0.0236","","","0.0573","0.0576","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211672","7.9573","0.0013","5.4679","0.0015","11.043","0.003","90","","109.173","0.016","90","","453.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Dihydroxy-4-phenylbutan-2-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C20 H24 O6 -","2","1","XU2144","Long He; Hai-Lan Yang; Tai-Ran Kang","1,4-Dihydroxy-4-phenylbutan-2-one","Acta Crystallographica Section E","2006","62","12","o5656","o5657","10.1107/S1600536806048549","","","0.71073","MoKα","","0.069","0.045","","","0.114","0.125","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211691","8.9848","0.0015","23.456","0.004","12.364","0.002","90","","108.804","0.003","90","","2466.6","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Maleopimaric acid trimethyl ester","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","2","YM2017","Ying-Ming Pan; Lin Yang; Heng-Shan Wang; Zhi-Cai Zhao; Yong Zhang","Maleopimaric acid trimethyl ester","Acta Crystallographica Section E","2006","62","12","o5701","o5703","10.1107/S1600536806048756","","","0.7107","MoKα","","0.038","0.036","","","0.085","0.086","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211726","7.855","0.006","10.138","0.008","13.949","0.01","90","","94.612","0.014","90","","1107.2","1.5","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,3,4,6-tetra-O-acetyl-2-O-benzyl-α-D-mannopyranose","","- C21 H26 O10 -","- C21 H26 O10 -","- C42 H52 O20 -","2","1","BI2103","An, Qi; Jiang, Shende","1,3,4,6-Tetra-O-acetyl-2-O-benzyl-α-D-mannopyranose","Acta Crystallographica Section E","2007","63","1","o213","o214","10.1107/S1600536806051476","","","0.71073","MoKα","","0.0852","0.0435","","","0.0872","0.1043","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211747","19.107","0.001","15.9176","0.0007","20.8122","0.0011","90","","101.266","0.005","90","","6207.8","0.5","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","[N,N-Bis(diphenylphosphanyl)-(R)-1,2,3,4-tetrahydro-1- naphthylamine-κ^2^P,P']dichloroplatinum(II)","","- C34 H31 Cl2 N P2 Pt -","- C34 H31 Cl2 N P2 Pt -","- C272 H248 Cl16 N8 P16 Pt8 -","8","4","BT2219","Tooke, Duncan M.; Zijp, Eric J.; Vlugt, Jarl Ivar van der; Vogt, Dieter; Spek, Anthony L.","[N,N-Bis(diphenylphosphanyl)-(R)-1,2,3,4-tetrahydro-1-naphthylamine-κ^2^P,P']dichloroplatinum(II)","Acta Crystallographica Section E","2007","63","1","m86","m88","10.1107/S1600536806052044","","","0.71073","MoKα","","0.0633","0.0341","","","0.0478","0.0539","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211767","10.185","0.003","8.633","0.002","10.427","0.003","90","","96.364","0.005","90","","911.2","0.4","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(DL)-2-[(DL)-2-Acetamido-3-phenylpropanamido]-3-phenylpropanoic acid","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","CI2239","Li, Gao-Ning; Li, Jian; Liang, Zu-Pei","(S)-2-[(S)-2-Acetamido-3-phenylpropanamido]-3-phenylpropanoic acid","Acta Crystallographica Section E","2007","63","1","o372","o373","10.1107/S1600536806053955","","","0.71073","MoKα","","0.0524","0.0351","","","0.0792","0.0883","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211798","5.7832","0.001","16.204","0.003","12.7389","0.0016","90","","100.044","0.012","90","","1175.5","0.3","294","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Nitrophenyl tetra-O-acetyl-β-D-glucopyranoside","","- C20 H23 N O12 -","- C20 H23 N O12 -","- C40 H46 N2 O24 -","2","1","ER2020","Brito-Arias, Marco; Cruz-Salazar, Diana; Molins, Elies","4-Nitrophenyl tetra-O-acetyl-β-D-glucopyranoside","Acta Crystallographica Section E","2007","63","1","o359","o360","10.1107/S1600536806052317","","","0.71073","MoKα","","0.0616","0.0397","","","0.0984","0.1082","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211823","11.7386","0.0007","13.2135","0.0011","14.4602","0.0009","90","","91.216","0.005","90","","2242.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Lithium tetrakis(diphenylphosphino)borate diethyl ether solvate","","- C52 H50 B Li O P4 -","- C52 H50 B Li O P4 -","- C104 H100 B2 Li2 O2 P8 -","2","1","HB2216","Dornhaus, Franz; Bolte, Michael","Lithium tetrakis(diphenylphosphino)borate diethyl ether solvate","Acta Crystallographica Section E","2007","63","1","m39","m40","10.1107/S1600536806051130","","","0.71073","MoKα","","0.0404","0.0377","","","0.0957","0.0968","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211850","12.957","0.003","3.892","0.0008","14.135","0.003","90","","97.736","0.002","90","","706.3","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E)-1-(2,4-Dichlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C16 H12 Cl2 O S -","- C16 H12 Cl2 O S -","- C32 H24 Cl4 O2 S2 -","2","1","HK2154","Ray J. Butcher; Yathirajan, H. S.; Narayana, B.; Mithun, A.; Sarojini, B. K.","(2E)-1-(2,4-Dichlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2007","63","1","o30","o32","10.1107/S1600536806050069","","","0.71073","MoKα","","0.0294","0.0284","","","0.0702","0.0708","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211851","11.284","0.002","5.327","0.0011","13.184","0.003","90","","109.91","0.03","90","","745.1","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2'-Deoxy-3',5'-di-O-acetyluridine","","- C13 H16 N2 O7 -","- C13 H16 N2 O7 -","- C26 H32 N4 O14 -","2","1","HK2164","Luo, Qun; Tang, Dai-Hua; Zhen, Zhen; Liu, Xin-Hou","2'-Deoxy-3',5'-di-O-acetyluridine","Acta Crystallographica Section E","2007","63","1","o4","o6","10.1107/S1600536806050264","","","0.71073","MoKα","","0.053","0.0377","","","0.0851","0.0881","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211861","10.9385","0.0008","15.6425","0.0012","11.81","0.0009","90","","109.04","0.001","90","","1910.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Propane-1,3-diylbis(triphenylphosphonium) (oxalato)oxodiperoxomolybdate(VI) monohydrate","","- C41 H38 Mo O10 P2 -","- C41 H38 Mo O10 P2 -","- C82 H76 Mo2 O20 P4 -","2","1","HY2033","Xian-Ying Shi; Jun-Fa Wei; Xi-Ru Zhang; Jing Cao","Propane-1,3-diylbis(triphenylphosphonium) (oxalato)oxodiperoxomolybdate(VI) monohydrate","Acta Crystallographica Section E","2007","63","1","m227","m229","10.1107/S160053680605272X","","","0.71073","MoKα","","0.0714","0.0571","","","0.134","0.1509","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211868","5.7455","0.0007","12.8894","0.0016","11.6696","0.0014","90","","94.317","0.002","90","","861.75","0.18","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R)-5,5-Dimethyl-4-phenyl-3-[(E)-3-phenylacryloyl]-1,3-oxazolidin-2-one","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C40 H38 N2 O6 -","2","1","KJ2030","Yang, Rui; Zhang, Mei-Su; Nie, Lei; Chen, Jing; Lin, Jun","(4R)-5,5-Dimethyl-4-phenyl-3-[(E)-3-phenylacryloyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2007","63","1","o182","o183","10.1107/S160053680605224X","","","0.71073","MoKα","","0.0508","0.034","","","0.0752","0.0838","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211884","11.88215","0.00015","5.97647","0.00008","13.07499","0.00015","90","","113.51","0.001","90","","851.42","0.02","298","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethylammonium (R)-2-phenylbutyrate","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C36 H46 N2 O4 -","2","1","LH2256","Fernandes, Philippe; Florence, Alastair J.; Shankland, Kenneth; Karamertzanis, G. Panagiotis; Hulme, Ashley T.; Anandamanoharan, R. Parathy","Powder study of (R)-1-phenylethylammonium (R)-2-phenylbutyrate form 3","Acta Crystallographica Section E","2007","63","1","o202","o204","10.1107/S1600536806052093","","","1.54056","CuKα~1~","","","","","","","","","","1.958","","","","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211930","7.7674","0.0002","8.7852","0.0002","8.3555","0.0003","90","","112.093","0.001","90","","528.3","0.03","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2,6-Dichlorophenyl)-1,4-dihydroxybutan-2-one","","- C10 H10 Cl2 O3 -","- C10 H10 Cl2 O3 -","- C20 H20 Cl4 O6 -","2","1","SG2102","Long He; Ng, Seik Weng","4-(2,6-Dichlorophenyl)-1,4-dihydroxybutan-2-one","Acta Crystallographica Section E","2007","63","1","o38","o39","10.1107/S1600536806050768","","","0.71073","MoKα","","0.019","0.019","","","0.055","0.055","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211946","9.443","0.0007","7.5675","0.0006","12.5714","0.0009","90","","112.06","","90","","832.58","0.11","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-4-(4-methoxyphenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile","","- C19 H19 N5 O -","- C19 H19 N5 O -","- C38 H38 N10 O2 -","2","1","SJ2186","Jun Shao; Ya-Zhou Wang; Yuan-Xiang Li","2-Amino-4-(4-methoxyphenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2007","63","1","o163","o164","10.1107/S1600536806051981","","","0.71073","MoKα","","0.0702","0.0502","","","0.0897","0.0947","","","","","","0.94","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211954","7.157","0.003","8.44","0.004","10.193","0.005","90","","95.631","0.008","90","","612.7","0.5","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","SJ9043","Bai, Guo-Yi; Zhang, Chen-Fang; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng","(S,S)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol. Corrigendum","Acta Crystallographica Section E","2007","63","1","e2","e3","10.1107/S1600536806054389","","","0.71073","MoKα","","0.0606","0.0406","","","0.0917","0.1027","","","","","","1.066","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211969","11.126","0.002","8.0199","0.0016","12.414","0.003","90","","101.15","0.03","90","","1086.8","0.4","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Formylphenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C42 H48 O22 -","2","1","WN2105","Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried","3-Formylphenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","Acta Crystallographica Section E","2007","63","1","o387","o388","10.1107/S1600536806053980","","","0.71073","MoKα","","0.0581","0.038","","","0.0808","0.0893","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211991","9.6402","0.0011","5.5377","0.0006","12.5743","0.0015","90","","101.163","0.002","90","","658.57","0.13","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3aS,8aR)-2-(4-Methoxyphenyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazole","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","AT2190","Uchida, Akira; Hattori, Tetsutaro; Yamaura, Masanori","(2R,3aS,8aR)-2-(4-Methoxyphenyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazole","Acta Crystallographica Section E","2007","63","2","o420","o421","10.1107/S1600536806054572","","","0.71073","MoKα","","0.0399","0.0324","","","0.0739","0.0778","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212034","19.463","0.003","6.391","0.002","20.302","0.002","90","","91.522","0.003","90","","2524.4","0.9","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Aqua(2,2'-bipyridyl-κ^2^N,N'){2-[(3,5-dichloro-2-oxidobenzylidene)amino]- 3-methylpentanoato-κ^3^N,O,O'}copper(II) 2.5-hydrate","","- C23 H26 Cl2 Cu N3 O5.5 -","- C46 H52 Cl4 Cu2 N6 O11 -","- C92 H104 Cl8 Cu4 N12 O22 -","2","1","BI2135","Feng, Xiao-Zhen; Zhang, Shu-Hua; Liu, Zheng; Li, Guang-Zhao; Jin, Li-Xia","Aqua(2,2'-bipyridyl-κ^2^N,N'){2-[(3,5-dichloro-2-oxidobenzylidene)amino]-3-methylpentanoato-κ^3^N,O,O'}copper(II) 2.5-hydrate","Acta Crystallographica Section E","2007","63","2","m529","m531","10.1107/S1600536807001882","","","0.71073","MoKα","","0.1114","0.0664","","","0.1287","0.1465","","","","","","0.991","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2212055","7.5332","0.0019","8.349","0.002","12.989","0.003","90","","100.062","0.004","90","","804.4","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Voriconazole","2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol","","- C16 H14 F3 N5 O -","- C16 H14 F3 N5 O -","- C32 H28 F6 N10 O2 -","2","1","BT2234","K. Ravikumar; B. Sridhar; K. Durga Prasad; A. K. S. Bhujanga Rao","Voriconazole, an antifungal drug","Acta Crystallographica Section E","2007","63","2","o565","o567","10.1107/S1600536807000074","","","0.71073","MoKα","","0.0635","0.0594","","","0.154","0.1607","","","","","","1.199","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212069","6.2697","0.0013","16.168","0.003","18.26","0.004","90","","94.6","0.03","90","","1845","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{(1R,3S)-3-[(Dimethylamino)methyl]-2,2-dimethylcyclopropyl}diphenylmethanol","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","2","BT2256","Zhong, Jiang-Chun; Wang, Min-Gan; Wang, Min","{(1R,3S)-3-[(Dimethylamino)methyl]-2,2-dimethylcyclopropyl}diphenylmethanol","Acta Crystallographica Section E","2007","63","2","o1058","o1059","10.1107/S160053680700428X","","","0.71073","MoKα","","0.0678","0.0374","","","0.0714","0.0761","","","","","","0.993","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212115","11.741","0.005","6.911","0.003","12.457","0.005","90","","90.958","0.005","90","","1010.6","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3β-Acetoxy-7α-chloro-5,6β-epoxy-15β,16β-methylene-5β-androstan-17-one","","- C22 H29 Cl O4 -","- C22 H29 Cl O4 -","- C44 H58 Cl2 O8 -","2","1","CV2163","Wei Zhou; Wei-Xiao Hu; Chun-Nian Xia","3β-Acetoxy-7α-chloro-5,6β-epoxy-15β,16β-methylene-5β-androstan-17-one","Acta Crystallographica Section E","2007","63","2","o615","o616","10.1107/S1600536806056145","","","0.71073","MoKα","","0.0618","0.0533","","","0.1227","0.1277","","","","","","0.983","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212124","5.2752","0.0011","7.1294","0.0014","17.425","0.004","90","","90.45","0.03","90","","655.3","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(3'-Deoxy-2,3,5,6-tetrahydro-1,4-oxathiine-1,1-dioxido-β-D-ribofuranosyl)uracil","","- C11 H14 N2 O7 S -","- C11 H14 N2 O7 S -","- C22 H28 N4 O14 S2 -","2","1","CV2174","Sun, Jing-Bo; Yang, Hua; Wu, Jin-Chang","1-(1,1-Dioxo-3'-deoxy-2,3,5,6-tetrahydro-1,4-oxathiine-β-D-ribofuranosyl)uracil: a bicyclic nucleoside analogue","Acta Crystallographica Section E","2007","63","2","o724","o725","10.1107/S1600536807000931","","","0.71073","MoKα","","0.0545","0.039","","","0.0728","0.0778","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212145","5.365","0.004","7.13","0.005","17.272","0.014","90","","90.39","0.03","90","","660.7","0.9","285","2","285","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(2',3'-dideoxy-4-H-2,3,5,6-tetradydro-1,4-thiazine-1,1 -dioxides-/b-D-ribo-furanosyl)uracil","1-[(4aS,5R,7R,7aS)-7-Hydroxymethyl-3,4,4a,5,7,7a-hexahydro-2H- furo[3,4-b][1,4]thiazin-5-yl]pyrimidine-2,4(1H,3H)-dione","","- C11 H15 N3 O6 S -","- C11 H15 N3 O6 S -","- C22 H30 N6 O12 S2 -","2","1","DN2116","Sun, Jing-Bo; Yang, Hua; Wu, Jin-Chang","1-[(4aS,5R,7R,7aS)-7-Hydroxymethyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazin-5-yl]pyrimidine-2,4(1H,3H)-dione","Acta Crystallographica Section E","2007","63","2","o978","o979","10.1107/S1600536807003170","","","0.71073","MoKα","","0.0553","0.0412","","","0.1005","0.1084","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212149","11.516","0.003","7.429","0.002","16.101","0.003","90","","104.878","0.003","90","","1331.3","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","2","EZ2058","Qing-Fang Cheng; Xing-You Xu; Peng-Fei Shi; Xi-Lan Hu","Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2007","63","2","o468","o469","10.1107/S1600536806055413","","","0.71073","MoKα","","0.102","0.062","","","0.156","0.18","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212180","10.5595","0.0003","14.5801","0.0004","11.5436","0.0004","90","","114.128","0.001","90","","1621.97","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-Tetrachloridobis{(E)-1-[(E)(1R,4R)-1,7,7- trimethylbicyclo[2.2.1]hept-2-ylideneaminooxy]propylidenamine}platinum(IV)","","- C26 H44 Cl4 N4 O2 Pt -","- C26 H44 Cl4 N4 O2 Pt -","- C52 H88 Cl8 N8 O4 Pt2 -","2","1","HB2240","Zamaratskikh, Ekaterina S.; Khripun, Anatoly V.; Haukka, Matti; Balova, Irina A.","Tetrachloridobis{(E)-1-[(E)-(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylideneaminooxy]propylideneamine}platinum(IV)","Acta Crystallographica Section E","2007","63","2","m589","m590","10.1107/S1600536807002395","","","0.71073","MoKα","","0.0397","0.0285","","","0.0606","0.0878","","","","","","1.141","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212183","3.7973","0.0005","7.1528","0.0009","25.336","0.003","90","","90.386","0.011","90","","688.14","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E)-1-(2,4-Dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C15 H9 Cl2 N O3 -","- C15 H9 Cl2 N O3 -","- C30 H18 Cl4 N2 O6 -","2","1","HB2244","Yathirajan, H. S.; Mayekar, A. N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","(2E)-1-(2,4-Dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o424","o425","10.1107/S1600536806055073","","","0.71073","MoKα","","0.0431","0.0372","","","0.0905","0.0933","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212195","9.753","0.0006","9.3216","0.0008","10.792","0.007","90","","110.462","0.004","90","","919.2","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl 2,2-dimethyl-4-(3-phenyl-2,5-dihydrofuran-2-yl)oxazolidine-3-carboxylate","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C40 H54 N2 O8 -","2","1","HB2257","Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert","tert-Butyl 2,2-dimethyl-4-(3-phenyl-2,5-dihydrofuran-2-yl)oxazolidine-3-carboxylate","Acta Crystallographica Section E","2007","63","2","o664","o665","10.1107/S1600536807000839","","","0.71073","MoKα","","0.0547","0.0285","","","0.0539","0.0567","","","","","","0.899","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212220","10.127","0.003","10.036","0.003","14.7","0.004","90","","90.23","0.03","90","","1494","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl- (Z)-α,β-dehydrophenylalanyl]glycine methyl ester","","- C30 H35 N5 O8 -","- C30 H35 N5 O8 -","- C60 H70 N10 O16 -","2","1","HG2166","Makowski, Maciej; Lisowski, Marek; Mikołajczyk, Iwona; Lis, Tadeusz","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl-(Z)-α,β-dehydrophenylalanyl]glycine methyl ester","Acta Crystallographica Section E","2007","63","2","o989","o991","10.1107/S1600536807002966","","","1.5418","CuKα","","0.0406","0.0378","","","0.0993","0.1019","","","","","","1.123","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212249","14.2256","0.0015","6.4531","0.0007","15.0426","0.0016","90","","101.865","0.0014","90","","1351.4","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","p-Tolyl 2-O-benzyl-3,5-O-(di-tert-butylsilanediyl)-1-thio-α-D-arabinofuranoside","","- C27 H38 O4 S Si -","- C27 H38 O4 S Si -","- C54 H76 O8 S2 Si2 -","2","1","IS2129","Nacario, Ruel C.; Lowary, Todd L.; McDonald, Robert","p-Tolyl 2-O-benzyl-3,5-O-(di-tert-butylsilanediyl)-1-thio-α-D-arabinofuranoside","Acta Crystallographica Section E","2007","63","2","o498","o500","10.1107/S1600536806054729","","","0.71073","MoKα","","0.0442","0.0362","","","0.086","0.0908","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212288","5.6603","0.0002","8.0045","0.0002","9.3242","0.0003","90","","103.147","0.0013","90","","411.39","0.02","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3-C-Methyl-D-allono-1,5-lactone","","- C7 H12 O6 -","- C7 H12 O6 -","- C14 H24 O12 -","2","1","LH2287","Jones, Nigel A.; Watkin, David J.; Curran, Louise A.; Jenkinson, Sarah F.; Fleet, George W. J.","3-C-Methyl-D-allono-1,5-lactone","Acta Crystallographica Section E","2007","63","2","o992","o994","10.1107/S1600536807002899","","","0.71073","MoKα","","0.0347","0.0307","","0.0755","0.0741","0.0755","","","","","","1.1588","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212325","16.7989","0.0012","11.2993","0.0014","16.9258","0.0012","90","","110.19","0.005","90","","3015.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Tris{[(S)-1-hydroxy-3-methylbutan-2-ylamino]methylene}cyclohexane- 1,3,5-trione","","- C24 H39 N3 O6 -","- C24 H39 N3 O6 -","- C96 H156 N12 O24 -","4","2","OM2086","Suresh, P.; Babu Varghese; Varadarajan, T. K.; Viswanathan, B.","2,4,6-Tris{[(S)-1-hydroxy-3-methylbutan-2-ylamino]methylene}cyclohexane-1,3,5-trione","Acta Crystallographica Section E","2007","63","2","o984","o986","10.1107/S1600536807001754","","","1.5418","CuKα","","0.0918","0.0662","","","0.1862","0.2023","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212356","6.6778","0.0013","7.4041","0.0014","8.6654","0.0016","90","","101.666","0.003","90","","419.59","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-methoxypiperidinium chloride","","- C6 H14 Cl N O -","- C6 H14 Cl N O -","- C12 H28 Cl2 N2 O2 -","2","1","SA2038","Yao, Zheng; Gu, Xiao-Dan; Li, Zhi-Gang; Deng, Jian-Cheng; Xu, Jing-Wei","4-Methoxypiperidinium chloride","Acta Crystallographica Section E","2007","63","2","o654","o655","10.1107/S1600536807000700","","","0.71073","MoKα","","0.0314","0.0302","","","0.0777","0.0787","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212372","7.75","0.0015","24.717","0.003","9.605","0.002","90","","94.619","0.007","90","","1833.9","0.6","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Paxdaphnine B","methyl 5-ethyl-2-methoxy-6-azapentacyclo[9.5.1.0^1,5^.0^2,8^.0^14,17^]heptadec- 11(17)-ene-15-carboxylate","","- C21 H31 N O3 -","- C21 H31 N O3 -","- C84 H124 N4 O12 -","4","2","SJ2204","Yong-Bin Lu; Ning-Chuan Kong; Yuan-Yuan Feng; Xiao-Jiang Hao; Yang Lu","Paxdaphnine B: a 1,19-bisnor-daphniphyllum alkaloid","Acta Crystallographica Section E","2007","63","2","o589","o591","10.1107/S1600536806055826","","","0.71073","MoKα","","0.0584","0.0516","","","0.1295","0.1367","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212424","8.276","0.0018","26.636","0.006","12.25","0.003","90","","105.25","0.003","90","","2605.3","1","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-6,6'-Dimethyl-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenol benzene solvate","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","2","YA2032","Yang, Ming-Hua; Yan, Guo-Bing; Zheng, Fun-Fa","(S,S)-6,6'-Dimethyl-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenol benzene solvate","Acta Crystallographica Section E","2007","63","2","o824","o826","10.1107/S1600536807001766","","","0.71073","MoKα","","0.078","0.057","","","0.144","0.151","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212429","6.9388","0.0006","6.7185","0.0006","12.9422","0.0011","90","","100.563","0.002","90","","593.12","0.09","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,5R,6S)-6-(2-Hydroxyethyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enol","","- C12 H20 O2 -","- C12 H20 O2 -","- C24 H40 O4 -","2","1","YM2046","Juhl, Martin; Tanner, David; Søtofte, Inger","(1R,5R,6S)-6-(2-Hydroxyethyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enol","Acta Crystallographica Section E","2007","63","2","o836","o837","10.1107/S1600536806056443","","","0.71073","MoKα","","0.05","0.049","","","0.133","0.134","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212432","7.54","0.0015","26.5","0.005","8.21","0.0016","90","","114.5","0.03","90","","1492.7","0.6","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Diethyl 2,3-O-benzylidene-D-tartarate","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","2","AT2211","Jiang, Jian; Pan, Yong; Wang, De-Cai; Ou-yang, Ping-Kai","(2S,3S)-Diethyl 2,3-O-benzylidenetartrate","Acta Crystallographica Section E","2007","63","3","o1093","o1094","10.1107/S1600536807003625","","","0.71073","MoKα","","0.0832","0.0661","","","0.1444","0.1498","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212454","14.1146","0.0012","11.4794","0.001","16.0864","0.0016","90","","111.765","0.003","90","","2420.6","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Benzhydryl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)- 3-hydroxybut-2-enoate","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","2","BI2134","Fu, De-Cai; Sun, Feng-Xia; Chen, Jin-Ping; Liu, Qian; Zhang, Jing","Benzhydryl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-hydroxybut-2-enoate","Acta Crystallographica Section E","2007","63","3","o1220","o1221","10.1107/S1600536807003637","","","0.7107","MoKα","","0.0494","0.039","","","0.0753","0.08","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212456","8.018","0.004","8.34","0.004","15.486","0.008","90","","96.831","0.009","90","","1028.2","0.9","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E,E)-N,N'-bis(4-methoxybenzylidene)hexane-1,6-diamine","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C44 H56 N4 O4 -","2","1","BI2140","Li, Jian; Liang, Zu-Pei; Wu, Qian","(E,E)-N,N'-Bis(4-methoxybenzylidene)hexane-1,6-diamine","Acta Crystallographica Section E","2007","63","3","o1086","o1087","10.1107/S160053680700462X","","","0.71073","MoKα","","0.078","0.0394","","","0.0904","0.1093","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212496","9.412","0.0012","9.7918","0.0012","15.996","0.002","90","","97.254","0.002","90","","1462.4","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","2","BV2040","Wang, Bing-Tao; Yue, Hua-Dong; Luo, Shu-Ping; Xu, Dan-Qian","Diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one","Acta Crystallographica Section E","2007","63","3","o1108","o1109","10.1107/S1600536807004394","","","0.71073","MoKα","","0.0825","0.0761","","","0.1314","0.1338","","","","","","1.351","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212514","8.221","0.002","6.914","0.001","10.981","0.002","90","","110.83","0.003","90","","583.4","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(N,N-dimethylpropane-1,3-diamine)thiocyanatocopper(II)]- μ-thiocyanato]","","- C7 H14 Cu N4 S2 -","- C7 H14 Cu N4 S2 -","- C14 H28 Cu2 N8 S4 -","2","1","CI2299","Chen-Yi Wang","catena-Poly[[(N,N-dimethylpropane-1,3-diamine)thiocyanatocopper(II)]-μ-thiocyanato]","Acta Crystallographica Section E","2007","63","3","m832","m834","10.1107/S1600536807007891","","","0.71073","MoKα","","0.0636","0.0504","","","0.1035","0.1114","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212521","6.48","0.003","20.758","0.008","6.697","0.003","90","","107.777","0.005","90","","857.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","17α-Ethynyl-17β-hydroxyandrosta-1,4-diene-3-one","","- C21 H26 O2 -","- C21 H26 O2 -","- C42 H52 O4 -","2","1","CV2190","Liu-Qing Sheng; Wan-Gen Liang; Gang Chen; Hua-Feng Shen","17α-Ethynyl-17β-hydroxyandrosta-1,4-dien-3-one","Acta Crystallographica Section E","2007","63","3","o1182","o1183","10.1107/S1600536807005223","","","0.71073","MoKα","","0.0584","0.0523","","","0.1166","0.1203","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212536","4.0881","0.0001","11.0724","0.0002","16.9235","0.0004","90","","91.61","0.001","90","","765.74","0.03","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(3-Bromo-2-thienyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","","- C18 H13 Br O2 S -","- C18 H13 Br O2 S -","- C36 H26 Br2 O4 S2 -","2","1","EZ2062","Ray J. Butcher; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.","1-(3-Bromo-2-thienyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","3","o1430","o1431","10.1107/S1600536807008203","","","0.71073","MoKα","","0.054","0.033","","","0.06","0.066","","","","","","0.91","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212539","10.7391","0.0009","8.0956","0.0004","11.082","0.001","90","","109.682","0.003","90","","907.17","0.12","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","","","(1S,2R,2'S,3'aS,5R)-2'-[(1R)-1-Hydroxyethyl]-2-isopropyl-5,5'-dimethyl-3',3'a- dihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","","- C17 H30 N2 O3 -","- C17 H30 N2 O3 -","- C34 H60 N4 O6 -","2","1","FB2036","Aouadi, Kaiss; Jeanneau, Erwann; Praly, Jean-Pierre","(1S,2R,2'S,3'aS,5R)-2'-[(1R)-1-Hydroxyethyl]-2-isopropyl-5,5'-dimethyl-3',3'a-dihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","Acta Crystallographica Section E","2007","63","3","o1327","o1329","10.1107/S1600536807006824","","","0.71073","MoKα","","0.0801","0.0451","","","0.1013","0.1152","","","","","","0.962","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212561","19.789","0.005","10.389","0.003","23.081","0.006","90","","98.62","0.03","90","","4692","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dicyclohexylammonium N-(tert-butoxycarbonyl)-L-threoninate","Dicyclohexylaminium (2S,3R)-2-[(tert-butoxycarbonyl)amino]-3-hydroxybutanoate]","","- C21 H40 N2 O5 -","- C21 H40 N2 O5 -","- C168 H320 N16 O40 -","8","4","HB2273","Bryndal, Iwona; Lis, Tadeusz","Dicyclohexylaminium N-(tert-butoxycarbonyl)-L-threoninate: a monoclinic structure with Z' = 4","Acta Crystallographica Section E","2007","63","3","o1444","o1447","10.1107/S1600536807007489","","","0.71073","MoKα","","0.0857","0.0719","","","0.1538","0.1617","","","","","","1.142","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212637","12.9897","0.001","24.0016","0.0015","15.9688","0.0011","90","","112.322","0.002","90","","4605.6","0.6","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(2R,3S,4S,5S)-3,4-Benzyloxy-2,5-bis-trityloxymethyl-tetrahydrofuran-2- yloxy]-3,4,5-tribenzyloxy-6-(trityloxymethyl)tetrahydropyran‒methanol‒ 2-butanone (1/1/0.75)","","- C108 H104 O12.75 -","- C108.001 H104.004 O12.751 -","- C216.002 H208.008 O25.502 -","2","1","LH2308","Zi-Sheng Wu; Chong-Bo Liu; Zhi-Jie Fang; Yuan-Xing Wang; Hui-Liang Wen","2-[(2R,3S,4S,5S)-3,4-Benzyloxy-2,5-bis(trityloxymethyl)tetrahydrofuran-2-yloxy]-3,4,5-tribenzyloxy-6-(trityloxymethyl)tetrahydropyran‒methanol‒2-butanone (1/1/0.75)","Acta Crystallographica Section E","2007","63","3","o1471","o1472","10.1107/S1600536807007362","","","0.7107","MoKα","","0.0641","0.057","","","0.1624","0.169","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212721","8.801","0.005","11.141","0.004","14.568","0.007","90","","104.25","0.05","90","","1384.5","1.2","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","","syn-2,4-Bis(4-methoxybenzylidene)-trans-1,3-dithexyldi- 2,4-azadi-1,3-boracyclobutane","","- C28 H44 B2 N2 O2 -","- C28.006 H44 B2 N2 O2 -","- C56.012 H88 B4 N4 O4 -","2","1","WM2073","Lesley, M. J. G.; Pineau, M. R.; Nelson, D. M.; Crundwell, G.","syn-2,4-Bis(4-methoxybenzylidene)-trans-1,3-dithexyl-2,4-diaza-1,3-diboracyclobutane","Acta Crystallographica Section E","2007","63","3","o1204","o1206","10.1107/S1600536807005417","","","0.71073","MoKα","","0.1156","0.0591","","","0.145","0.1546","","","","","","0.832","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212723","6.9019","0.001","7.9919","0.0011","4.7807","0.0007","90","","109.003","0.004","90","","249.32","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium chromium(III) diphosphate(V)","","- Cr Li O7 P2 -","- Cr Li O7 P2 -","- Cr2 Li2 O14 P4 -","2","1","WM2094","Ivashkevich, Ludmila S.; Selevich, Kirill A.; Lesnikovich, Anatoly I.; Selevich, Anatoly F.","X-ray powder diffraction study of LiCrP~2~O~7~","Acta Crystallographica, Section E","2007","63","3","m70","m72","10.1107/S1600536807005752","","","1.5418","CuKα","","","","","","","","","","0.35","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2212765","11.288","0.002","8.0129","0.0016","15.702","0.003","90","","92.77","0.03","90","","1418.6","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[[tetraaquanickel(II)]-μ~2~-4,4'-bipyridine-κ^2^N:N'] bis(4-aminobenzensulfonate) dihydrate]","","- C22 H32 N4 Ni O12 S2 -","- C22 H30 N4 Ni O12 S2 -","- C44 H60 N8 Ni2 O24 S4 -","2","1","BG2040","Zhang, Xiao; Yi, Zhi-Hui; Yu, Xiao-Yang; Yang, Qing-Feng; Xu, Ji-Qing","catena-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] bis(4-aminobenzensulfonate) dihydrate]","Acta Crystallographica Section E","2007","63","4","m1142","m1144","10.1107/S1600536807012780","","","0.71073","MoKα","","0.0348","0.0322","","","0.0795","0.0816","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212773","7.8481","0.0011","16.659","0.002","7.8481","0.0011","90","","90.84","0.01","90","","1026","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(-)-N-[(3R)-3-(4-Fluorophenyl)-pentanoyl]bornane-10,2-sultam","","- C21 H28 F N O3 S -","- C21 H28 F N O3 S -","- C42 H56 F2 N2 O6 S2 -","2","1","BI2159","Xiu-Fang Cao; Guang-Ao Yu; Sheng-Hua Liu; Ming Hu; Min Wang","({-})-N-[(3R)-3-(4-Fluorophenyl)pentanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2007","63","4","o2034","o2035","10.1107/S1600536807013803","","","0.71073","MoKα","","0.0679","0.0605","","","0.1602","0.1824","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212783","11.582","0.002","5.4948","0.0011","17.171","0.003","90","","91.65","0.03","90","","1092.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-(4-Bromophenylsulfonyl)-1-oxa-4-azacyclohexadecan-16-one","","- C20 H30 Br N O4 S -","- C20 H30 Br N O4 S -","- C40 H60 Br2 N2 O8 S2 -","2","1","BT2253","Dong, Yan-Hong; Ma, Yong-Qiang; Wang, Ming-An; Chen, Fu-Heng; Wang, Dao-Quan","4-(4-Bromophenylsulfonyl)-1-oxa-4-azacyclohexadecan-16-one","Acta Crystallographica Section E","2007","63","4","o1928","o1929","10.1107/S1600536807006186","","","0.71073","MoKα","","0.1251","0.0583","","","0.1306","0.1506","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212823","10.6496","0.0004","7.8597","0.0003","20.3159","0.0007","90","","97.907","0.002","90","","1684.33","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","ent-Kaur-16-ene-13,19-diol","ent-Kaur-16-ene-13,19-diol","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","2","CI2312","Abdul Wahab Salae; Suchada Chantrapromma; Hoong-Kun Fun; Chanita Ponglimanont","ent-Kaur-16-ene-13,19-diol","Acta Crystallographica Section E","2007","63","4","o1899","o1901","10.1107/S1600536807012834","","","0.71073","MoKα","","0.0516","0.0428","","","0.1016","0.1085","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212844","6.2555","0.0004","21.7461","0.0012","7.1786","0.0004","90","","94.527","0.002","90","","973.48","0.1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[diaqua(isophthalato)]cobalt(II)]-μ-1,4- diazabicyclo[2.2.2]octane] N,N-dimethylformamide solvate]","","- C17 H27 Co N3 O7 -","- C17 H27 Co N3 O7 -","- C34 H54 Co2 N6 O14 -","2","1","CV2215","Ai-Qing Ma","catena-Poly[[[diaqua(isophthalato)]cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane] N,N-dimethylformamide solvate]: a chiral one-dimensional coordination polymer","Acta Crystallographica Section E","2007","63","4","m1073","m1075","10.1107/S1600536807011865","","","0.71073","MoKα","","0.0454","0.0442","","","0.1201","0.1211","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212905","5.9309","0.0003","5.6529","0.0003","17.2697","0.001","90","","91.762","0.002","90","","578.72","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Thiophene-2-carbaldehyde 3-nitrophenylhydrazone","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C22 H18 N6 O4 S2 -","2","1","HB2331","Wardell, James L.; Low, John N.; Glidewell, Christopher","Thiophene-2-carbaldehyde 3-nitrophenylhydrazone","Acta Crystallographica Section E","2007","63","4","o1848","o1850","10.1107/S1600536807012238","","","0.71073","MoKα","","0.0415","0.039","","","0.1025","0.1052","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212973","13.862","0.003","16.583","0.003","13.959","0.003","90","","118.27","0.03","90","","2826.1","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(tetrahydrofuran-κO)tris(tri-tert-butoxysiloxy)chromium(III)","","- C44 H97 Cr O14 Si3 -","- C44 H97 Cr O14 Si3 -","- C88 H194 Cr2 O28 Si6 -","2","1","NG2229","Ciborska, Anna; Chojnacki, Jaroslaw; Wojnowski, Wieslaw","Bis(tetrahydrofuran-κO)tris(tri-tert-butoxysiloxy)chromium(III)","Acta Crystallographica Section E","2007","63","4","m1103","m1104","10.1107/S1600536807011038","","","0.71073","MoKα","","0.0481","0.0465","","","0.1185","0.12","","","","","","1.041","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2213008","7.9522","0.0009","5.898","0.0005","10.5538","0.0012","90","","110.003","0.009","90","","465.13","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(dimethylamino)isobenzofuran-1(3H)-one","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","SJ2234","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(Dimethylamino)isobenzofuran-1(3H)-one","Acta Crystallographica Section E","2007","63","4","o1560","o1561","10.1107/S1600536807009415","","","0.71073","MoKα","","0.0306","0.029","","","0.0742","0.0751","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213014","7.654","0.003","15.473","0.009","10.514","0.006","90","","102.489","0.015","90","","1215.7","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","nicotinamidium tartarate hydrate","Bis(nicotinamidium) bis(tartrate) 1.25-hydrate","","- C20 H26.5 N4 O15.25 -","- C20 H26.5 N4 O15.25 -","- C40 H53 N8 O30.5 -","2","1","SJ2241","S. Athimoolam; S. Natarajan","Bis(nicotinamidium) bis[(2R,3R)-tartrate] 1.25-hydrate: cations incorporated into hydrogen-bonded arrays of anions and water molecules","Acta Crystallographica Section E","2007","63","4","o1811","o1813","10.1107/S1600536807011294","","","0.71069","MoKα","","0.0978","0.0488","","","0.1086","0.1295","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2213023","7.7629","0.0003","5.5537","0.0002","15.745","0.0006","90","","90.828","0.002","90","","678.74","0.04","100","0.1","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","SJ2255","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; H. B. Ramesh Babu; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(3-Methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","4","o1895","o1896","10.1107/S160053680701255X","","","0.71073","MoKα","","0.0648","0.0509","","","0.124","0.1327","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213032","5.7283","0.0002","9.0412","0.0003","12.4994","0.0004","90","","97.251","0.001","90","","642.18","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Lysine trichloroacetate","L-Lysinium trichloroacetate","","- C8 H15 Cl3 N2 O4 -","- C8 H15 Cl3 N2 O4 -","- C16 H30 Cl6 N4 O8 -","2","1","SU2004","Thenneti Raghavalu; Karunanithi Suriya Kumar; Gubendiran Ramesh Kumar; Srinivasan Gokul Raj; Rajagopal Mohan","L-Lysinium trichloroacetate","Acta Crystallographica Section E","2007","63","4","o1706","o1707","10.1107/S1600536807010021","","","0.71073","MoKα","","0.0453","0.0419","","","0.1174","0.1249","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213045","10.094","0.002","13.915","0.003","12.628","0.003","90","","96.96","0.03","90","","1760.6","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Phenyl 2,3-di-O-acetyl-4-O-(2-chloroacetyl)-6-O-(2,3,4-tri-O-acetyl- β-D-xylopyranosyl)-1-thio-β-D-glucopyranoside","","- C29 H35 Cl O15 S -","- C29 H35 Cl O15 S -","- C58 H70 Cl2 O30 S2 -","2","1","WK2040","Yuan-Long Ren","Phenyl 2,3-di-O-acetyl-4-O-(2-chloroacetyl)-6-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-1-thio-β-D-glucopyranoside","Acta Crystallographica Section E","2007","63","4","o1601","o1602","10.1107/S1600536807003133","","","0.71073","MoKα","","0.0741","0.0531","","","0.1432","0.1548","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213069","4.1091","0.0016","6","0.002","14.603","0.005","90","","93.1935","0.0019","90","","359.5","0.2","153.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","5-Iodotropolone","2-Hydroxy-5-iodocyclohepta-2,4,6-trien-1-one","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C14 H10 I2 O4 -","2","1","YA2043","Kubo, Kanji; Matsumoto, Taisuke; Kuribayashi, Daiki; Mori, Akira","5-Iodotropolone","Acta Crystallographica Section E","2007","63","4","o1570","o1572","10.1107/S1600536807009257","","","0.7107","MoKα","","","0.019","","","","0.053","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213102","5.9984","0.0008","11.4923","0.0014","11.535","0.0014","90","","98.413","0.001","90","","786.61","0.17","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-14β-androsta-5,15-dien-17-one","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","AT2272","Zheng, Chun-Fang; Yao, Shang-Qing; Wan, Wen; Hao, Jian","3β-Hydroxy-14β-androsta-5,15-dien-17-one","Acta Crystallographica Section E","2007","63","5","o2651","o2651","10.1107/S1600536807018806","","","0.71073","MoKα","","0.0302","0.0284","","","0.0666","0.0673","","","","","","1.119","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213131","3.9479","0.0001","10.1234","0.0003","17.2553","0.0006","90","","91.823","0.002","90","","689.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Chlorophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C34 H30 Cl2 O4 -","2","1","BI2170","P. S. Patil; Hoong-Kun Fun; Suchada Chantrapromma; S. M. Dharmaprakash","1-(4-Chlorophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2497","o2498","10.1107/S1600536807017394","","","0.71073","MoKα","","0.0496","0.0415","","","0.0973","0.1036","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213142","8.6134","0.0003","7.4803","0.0003","8.8106","0.0003","90","","115.072","0.0018","90","","514.19","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2'-Anhydro-2'-C-methyl-1-(β-D-arabinofuranosyl)uracil","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","BQ2004","Jenkinson, Sarah F.; Jones, Nigel A.; Moussa, Adel; Stewart, Alistair J.; Heinz, Thomas; Fleet, George W. J.; Watkin, David J.","2,2'-Anhydro-2'-C-methyl-1-(β-D-arabinofuranosyl)uracil (2,2'-anhydro-2'-C-methyluridine)","Acta Crystallographica, Section E","2007","63","5","o2071","o2073","10.1107/S1600536807014456","","","0.71073","MoKα","","0.0306","0.0306","","0.065","0.065","0.065","","","","","","0.9805","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213154","11.631","0.002","5.5969","0.001","13.577","0.002","90","","99.548","0.003","90","","871.6","0.3","291","","291","","","","","","","","","3","P 1 21 1","P 2yb","4","Cubebin","3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","BT2304","Bruno-Colmenárez, Julia; Usubillaga, Alfredo; Khouri, Nancy; Díaz de Delgado, Graciela","Cubebin, a lignan isolated from Aristolochia odoratissima L.","Acta Crystallographica Section E","2007","63","5","o2046","o2047","10.1107/S1600536807013487","","","0.71073","MoKα","","0.1732","0.0527","","","0.0912","0.1214","","","","","","0.989","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213157","6.013","0.001","15.597","0.003","12.347","0.003","90","","103.34","0.03","90","","1126.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-1-[(2R)-3-(benzylsulfanyl)-2-(tert-butoxycarbonylamino)propanoyl] tetrahydro-1H-pyrrole-2-methylcarboxylate","","- C21 H30 N2 O5 S -","- C21 H30 N2 O5 S -","- C42 H60 N4 O10 S2 -","2","1","BT2308","Räisänen, Minna T.; Klinga, Martti; Leskelä, Markku; Repo, Timo","(2S)-Methyl 1-[(2R)-3-(benzylsulfanyl)-2-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate","Acta Crystallographica Section E","2007","63","5","o2095","o2096","10.1107/S1600536807014067","","","0.71073","MoKα","","0.0975","0.0483","","","0.0872","0.1042","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213195","12.094","0.005","5.756","0.003","12.503","0.006","90","","118.18","0.02","90","","767.2","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,R)-(+)-2-(2-Methacryloyloxy)-1,2-diphenylethanol","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","BX2072","Rodríguez de Barbarín, Cecilia; Percino, M. Judith; Chapela, Victor M.; Alcantarilla, Tony","(R,R)-(+)-2-(2-Methacryloyloxy)-1,2-diphenylethanol","Acta Crystallographica Section E","2007","63","5","o2684","o2685","10.1107/S1600536807019174","","","0.71073","MoKα","","0.0911","0.0456","","","0.1111","0.1402","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213212","7.1615","0.0001","18.6558","0.0003","18.0323","0.0003","90","","98.216","0.001","90","","2384.45","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione","3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","4","CI2328","Hoong-Kun Fun; Sompong Boonsri; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai","3,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione","Acta Crystallographica Section E","2007","63","5","o2127","o2129","10.1107/S1600536807014547","","","0.71073","MoKα","","0.1133","0.0614","","","0.1321","0.1664","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213255","11.578","0.003","6.943","0.002","12.542","0.004","90","","90.018","0.003","90","","1008.2","0.5","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[[bis(acetonitrile)(1,10-phenanthroline- κ^2^N,N')copper(II)]-μ-perchlorato-κ^2^O:O'] perchlorate]","","- C16 H14 Cl2 Cu N4 O8 -","- C16 H14 Cl2 Cu N4 O8 -","- C32 H28 Cl4 Cu2 N8 O16 -","2","1","CS2035","Şerb, Mihaela-Diana; Calmuschi-Cula, Beatrice; Dumitru, Florina; Englert, Ulli; Guran, Cornelia","catena-Poly[[[bis(acetonitrile)(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-perchlorato-κ^2^O:O'] perchlorate]","Acta Crystallographica Section E","2007","63","5","m1484","m1486","10.1107/S1600536807019733","","","0.71073","MoKα","","0.0314","0.0311","","","0.0729","0.073","","","","","","1.013","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213305","10.3142","0.0004","11.9229","0.0004","12.2124","0.0004","90","","107.223","0.002","90","","1434.48","0.09","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,7R,10S)-5-hydroxy-8-(1-hydroxyisopropyl)-3,11-dimethyl- 7-oxaspiro[5.5]undec-3-en-2-one","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","2","FJ2010","Macías, Francisco A.; Fronczek, Frank R.","The absolute configuration of heliespirone B, from sunflower Helianthus annuus","Acta Crystallographica Section E","2007","63","5","o2104","o2105","10.1107/S160053680701478X","","","1.54178","CuKα","","0.0329","0.0329","","","0.0873","0.0873","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213312","12.5293","0.0013","8.6751","0.0005","14.066","0.0016","90","","112.578","0.012","90","","1411.7","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α,6β-Dihydroxycholestan-3β-yl acetate","","- C29 H50 O4 -","- C29 H50 O4 -","- C58 H100 O8 -","2","1","FL2115","Pinto, R. M. A.; Ramos Silva, M.; Matos Beja, A.; Salvador, J. A. R.","5α,6β-Dihydroxycholestan-3β-yl acetate","Acta Crystallographica Section E","2007","63","5","o2138","o2139","10.1107/S1600536807014705","","","1.5418","CuKα","","0.1373","0.0512","","","0.1195","0.1528","","","","","","0.987","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213315","9.7431","0.0002","6.0189","0.0002","9.809","0.0002","90","","105.462","0.001","90","","554.41","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4aR,8aS)-6-Oxoperhydronaphthalene-2-acetic acid","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","FL2124","Dufort, Marisa D.; Desai, Janish; Lalancette, Roger A.; Thompson, Hugh W.","(2S,4aR,8aS)-6-Oxoperhydronaphthalene-2-acetic acid: `conglomerate' crystallization and catemeric hydrogen bonding in a bicyclic η-keto acid","Acta Crystallographica Section E","2007","63","5","o2753","o2753","10.1107/S1600536807019666","","","1.54178","CuKα","","0.032","0.032","","","0.091","0.091","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213331","4.9957","0.0016","9.34","0.003","11.7","0.004","90","","95.882","0.006","90","","543","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[2-(4-Bromophenoxy)ethyl]acetamide","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C20 H24 Br2 N2 O4 -","2","1","HB2338","Shang, Zhen-Hua; Zhang, Hui-Li","N-[2-(4-Bromophenoxy)ethyl]acetamide","Acta Crystallographica Section E","2007","63","5","o2282","o2283","10.1107/S160053680701447X","","","0.71073","MoKα","","0.0725","0.039","","","","0.0903","","","","","","0.978","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213333","6.7756","0.001","7.4223","0.0011","15.848","0.002","90","","91.901","0.002","90","","796.57","0.19","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N^5^-Ethyl-N^2^-(2-nitrophenylsulfonyl)glutamine","","- C13 H17 N3 O7 S -","- C13 H17 N3 O7 S -","- C26 H34 N6 O14 S2 -","2","1","HB2342","Jian-Guo Wang; Wen-Ming Li; Zheng-Ming Li; Hai-Bin Song","(S)-N^5^-Ethyl-N^2^-(2-nitrophenylsulfonyl)glutamine","Acta Crystallographica Section E","2007","63","5","o2668","o2669","10.1107/S1600536807018818","","","0.71073","MoKα","","0.0285","0.0264","","","0.0669","0.0698","","","","","","1.064","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213403","11.068","0.003","7.9037","0.0018","16.677","0.004","90","","95.487","0.004","90","","1452.2","0.6","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2b,24-dihydroxyurs-12-en-27-oic acid methanol solvate","","- C31 H52 O5 -","- C31 H52 O5 -","- C62 H104 O10 -","2","1","HK2226","Jun-Yi Hu; Zhi Yao; Ying-Qian Xu; Pu Liu; Hong-Quan Duan","2β,24-Dihydroxyurs-12-en-27-oic acid methanol solvate from the rhizome of Astilbe chinensis","Acta Crystallographica Section E","2007","63","5","o2375","o2377","10.1107/S1600536807015206","","","0.71073","MoKα","","0.0716","0.0442","","","0.0959","0.1095","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213439","11.2342","0.0003","5.8141","0.0001","12.3584","0.0003","90","","115.523","0.0008","90","","728.44","0.03","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","LH2333","Wen Pei; Yongjiang Wang; Mengzhan Sun; Xiaobo Xiong; Changquan Yu","(5R,6S)-6-Methyl-5-(phenylsulfonylacetyl)bicyclo[2.2.1]hept-2-ene","Acta Crystallographica Section E","2007","63","5","o2142","o2143","10.1107/S1600536807014006","","","0.71069","MoKα","","","0.0449","","","","0.1378","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213453","8.7635","0.0003","10.6004","0.0003","13.7678","0.0004","90","","99.4044","0.0014","90","","1261.79","0.07","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,5-Di-C-methyl-5,6-O-isopropylidene-L-glucono-1,4-lactone","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","2","LH2352","Booth, Kathrine V.; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J.","3,5-Di-C-methyl-5,6-O-isopropylidene-L-glucono-1,4-lactone","Acta Crystallographica Section E","2007","63","5","o2424","o2426","10.1107/S1600536807018314","","","0.71073","MoKα","","0.0437","0.0334","","0.0704","0.0668","0.0704","","","","","","0.9326","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213505","3.8265","0.0002","9.6148","0.0006","8.9964","0.0005","90","","97.948","0.004","90","","327.81","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","","","5-Bromoanthranil","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C14 H8 Br2 N2 O2 -","2","1","PR2002","Farrugia, Louis J.; Hartley, Richard C.; Main, Calver A.; Rahman, Shahzad S.","5-Bromoanthranil","Acta Crystallographica Section E","2007","63","5","o2540","o2541","10.1107/S1600536807017278","","","0.71073","MoKα","","0.0319","0.0271","","","0.0611","0.0772","","","","","","1.179","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213513","13.089","0.003","4.9156","0.001","15.196","0.003","90","","114.15","0.03","90","","892.1","0.4","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 2-amino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C40 H46 N2 O10 -","2","1","RK2002","Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Benzyl 2-amino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","Acta Crystallographica Section E","2007","63","5","o2527","o2529","10.1107/S1600536807015000","","","0.71073","MoKα","","0.08","0.0451","","","0.0849","0.1038","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213519","9.6438","0.0006","8.9672","0.0005","15.0549","0.0009","90","","103.203","0.001","90","","1267.5","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(9R,15R)-Methyl 3,15-diacetyl-4-(2-cyanoethyl)-4,9,10- trimethylperhydrocyclopenta[a]phenanthrene-13-carboxylate","","- C29 H43 N O4 -","- C29 H43 N O4 -","- C58 H86 N2 O8 -","2","1","RK2010","Oxana B. Flekhter; Natalya I. Medvedeva; Kyrill Yu. Suponitsky","(9R,15R)-Methyl 3,15-diacetyl-4-(2-cyanoethyl)-4,9,10-trimethylperhydrocyclopenta[a]phenanthrene-13-carboxylate","Acta Crystallographica Section E","2007","63","5","o2603","o2603","10.1107/S1600536807018223","","","0.71073","MoKα","","0.0477","0.0355","","","0.0718","0.0746","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213530","5.3724","0.0011","18.223","0.004","7.6663","0.0016","90","","100.474","0.004","90","","738","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione acetic acid solvate","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C26 H36 N8 O12 -","2","1","SA2043","Bing Tu; Xing-Jü Ma; Zhan Shu; Zhi-Min Jin","7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione acetic acid solvate","Acta Crystallographica Section E","2007","63","5","o2676","o2677","10.1107/S1600536807014341","","","0.71073","MoKα","","0.0674","0.0668","","","0.1686","0.1691","","","","","","1.292","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213552","9.6532","0.0007","12.655","0.0009","10.571","0.0008","90","","105.096","0.001","90","","1246.8","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","epoxyazadiradione","17-(3-furyl)-4,4,10,13-tetramethyl-3,16-dioxo- 3,4,5,6,7,8,9,10,11,12,13,15,16,17-tetradecahydro-20- oxacyclopropa[14,15]cyclopenta[a]phenathren-7-yl acetate","","- C28 H34 O6 -","- C28 H34 O6 -","- C56 H68 O12 -","2","1","SJ2261","R. Malathi; S. S. Rajan; R. Mohan Kumar; S. Narasimhan; K. Ravikumar","Epoxyazadiradione","Acta Crystallographica Section E","2007","63","5","o2483","o2485","10.1107/S1600536807016923","","","0.71073","MoKα","","0.0545","0.0519","","","0.1483","0.1522","","","","","","1.132","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213587","13.9645","0.0011","12.1448","0.0013","16.906","0.003","90","","97.134","0.009","90","","2845","0.6","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3',5'-Bis(tert-butyldimethylsilyl)-5-iodo-2'-deoxycytidine","","- C21 H40 I N3 O4 Si2 -","- C21 H40 I N3 O4 Si2 -","- C84 H160 I4 N12 O16 Si8 -","4","2","SU2015","Wittel, Gerda; Bats, Jan W.; Engels, Joachim W.","3',5'-Bis(tert-butyldimethylsilyl)-5-iodo-2'-deoxycytidine","Acta Crystallographica Section E","2007","63","5","o2657","o2659","10.1107/S1600536807014237","","","0.71073","MoKα","","0.0476","0.0337","","","0.0667","0.0717","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213624","8.616","0.0014","13.093","0.002","9.2584","0.0015","90","","112.499","0.002","90","","964.9","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6β-angeloyloxy-3β,8β-dihydroxyeremophil-7(11)-en-12,8α-olide","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","XU2247","Wu, Bing; Zhang, Hong-Jun; Qiu, Feng; Chen, Min-Qin; Lin, Hou-Wen","6β-Angeloyloxy-3β,8β-dihydroxyeremophil-7(11)-en-12,8α-olide","Acta Crystallographica Section E","2007","63","5","o2755","o2756","10.1107/S1600536807019897","","","0.71073","MoKα","","0.04","0.035","","","0.09","0.094","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213653","9.325","0.002","7.6101","0.0013","12.3466","0.0019","90","","95.365","0.013","90","","872.3","0.3","294","2","292","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Aquapyridinesilver(I) 4-amino-2,5-dichlorobenzenesulfonate dihydrate","","- C11 H15 Ag Cl2 N2 O6 S -","- C11 H15 Ag Cl2 N2 O6 S -","- C22 H30 Ag2 Cl4 N4 O12 S2 -","2","1","AT2291","Shangguan, Shao-Ping; Li, Yu-Jie; Wu, Hua","Aquapyridinesilver(I) 4-amino-2,5-dichlorobenzenesulfonate dihydrate","Acta Crystallographica Section E","2007","63","6","m1680","m1680","10.1107/S160053680702329X","","","0.71073","MoKα","","0.1106","0.0477","","","0.0788","0.0933","","","","","","0.803","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213662","12.658","0.002","7.4377","0.0015","13.101","0.003","90","","100.812","0.003","90","","1211.5","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-N'-(4-Chlorobenzylidene)nicotinohydrazide","","- C13 H10 Cl N3 O -","- C13 H10 Cl N3 O -","- C52 H40 Cl4 N12 O4 -","4","2","AT2301","Rui-Xue Deng; Pu Liu; Bing Zhao; Dong-Jie Liu","(E)-N'-(4-Chlorobenzylidene)nicotinohydrazide","Acta Crystallographica Section E","2007","63","6","o3003","o3003","10.1107/S1600536807024828","","","0.71073","MoKα","","0.0726","0.039","","","0.0844","0.1008","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213674","5.9709","0.0012","14.377","0.003","14.905","0.003","90","","92.64","0.03","90","","1278.1","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4R)-4-[4-(Benzyloxy)phenyl]-3-(4-fluorophenyl)-1-\ [(S)-1-(4-methoxyphenyl)ethyl]azetidin-2-one","","- C31 H28 F N O3 -","- C31 H28 F N O3 -","- C62 H56 F2 N2 O6 -","2","1","BI2173","Wu, Jin-Chang; Sun, Jing-Bo; Xu, Xian-Xiu","(3S,4R)-4-[4-(Benzyloxy)phenyl]-3-(4-fluorophenyl)-1-[(S)-1-(4-methoxyphenyl)ethyl]azetidin-2-one","Acta Crystallographica Section E","2007","63","6","o2844","o2845","10.1107/S160053680702096X","","","0.71073","MoKα","","0.0814","0.0462","","","0.1213","0.1328","","","","","","0.931","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213717","10.987","0.0018","7.284","0.0014","12.5885","0.0013","90","","115.591","0.009","90","","908.6","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-thioxopyrimidine","Ethyl 1-butyl-6-methyl-2-phenyl-4-thioxo-1,4-dihydropyrimidine-5-carboxylate","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C36 H44 N4 O4 S2 -","2","1","CF2100","Sabino, José R.; Vencato, Ivo; Bastos, Rodrigo M.; Cunha, Silvio","Ethyl 1-butyl-6-methyl-2-phenyl-4-thioxo-1,4-dihydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2007","63","6","o2852","o2852","10.1107/S1600536807019964","","","1.5418","CuKα","","","0.0521","","","","0.1355","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213721","7.517","0.004","6.819","0.003","22.574","0.011","90","","98.626","0.007","90","","1144","1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(Dimethoxythiophosphorylamido)-2-(2',3',4'-tri-O-acetyl-β-D- xylopyranos-1'-ylimino)-1,3-thiazolidin-4-one","","- C16 H24 N3 O10 P S2 -","- C16 H24 N3 O10 P S2 -","- C32 H48 N6 O20 P2 S4 -","2","1","CI2346","Cheng, Hai-Ying; Li, Yu-Xin; Wang, Xian-An; Li, Zheng-Ming; Song, Hai-Bin","3-(Dimethoxythiophosphorylamido)-2-(2',3',4'-tri-O-acetyl-β-D-xylopyranos-1'-ylimino)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2007","63","6","o2861","o2862","10.1107/S1600536807016558","","","0.7107","MoKα","","0.0485","0.0404","","","0.0796","0.0844","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213732","6.9869","0.0003","18.3967","0.0008","8.2995","0.0004","90","","113.617","0.001","90","","977.43","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(propane-1,3-diaminium) benzene-1,2,4,5-tetracarboxylate dihydrate","","- C16 H30 N4 O10 -","- C16 H30 N4 O10 -","- C32 H60 N8 O20 -","2","1","CS2033","Aghabozorg, Hossein; Ghadermazi, Mohammad; Sheshmani, Shabnam; Attar Gharamaleki, Jafar","Bis(propane-1,3-diaminium) benzene-1,2,4,5-tetracarboxylate dihydrate","Acta Crystallographica Section E","2007","63","6","o2985","o2986","10.1107/S1600536807023999","","","0.71073","MoKα","","0.026","0.0256","","","0.0674","0.0676","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213769","6.0641","0.0005","8.9176","0.0008","16.7851","0.0014","90","","90.727","0.001","90","","907.62","0.13","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Nitrobenzyl diphenyl phosphate","","- C19 H16 N O6 P -","- C19 H16 N O6 P -","- C38 H32 N2 O12 P2 -","2","1","FJ2030","Wei-Wei Jin; Cai-Bao Chen; Xin-Yong Li","2-Nitrobenzyl diphenyl phosphate","Acta Crystallographica Section E","2007","63","6","o3016","o3016","10.1107/S1600536807023379","","","0.71073","MoKα","","0.0403","0.0374","","","0.0948","0.097","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213804","4.588","0.0001","8.1255","0.0002","16.124","0.0008","90","","93.074","0.001","90","","600.23","0.04","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1-benzyl-5-methyl-1H-imidazol-4-yl)-1,3,4-oxadiazole","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C26 H24 N8 O2 -","2","1","HB2413","Jing Li","2-(1-Benzyl-5-methyl-1H-imidazol-4-yl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2007","63","6","o2976","o2976","10.1107/S1600536807023483","","","0.71073","MoKα","","0.0715","0.0469","","","0.1174","0.1468","","","","","","1.103","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213836","10.259","0.006","8.989","0.005","14.29","0.008","90","","96.41","0.007","90","","1309.6","1.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","roridin H","","","- C29 H36 O8 -","- C29 H36 O8 -","- C58 H72 O16 -","2","1","HK2249","Gai, Yue; Zhao, Ling-Ling; Hu, Chang-Qi; Zhang, Hui-Ping","Roridin H","Acta Crystallographica Section E","2007","63","6","o2990","o2991","10.1107/S1600536807024786","","","0.71073","MoKα","","0.0599","0.0509","","","0.1229","0.1283","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213856","11.5672","0.0009","5.7425","0.0004","14.6172","0.001","90","","108.143","0.002","90","","922.67","0.12","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","S-Phenyl 4,6-O-benzylidene-2,3-O-carbonyl-1-thia-α-D-mannopyranoside","","- C20 H18 O6 S -","- C20 H18 O6 S -","- C40 H36 O12 S2 -","2","1","IS2162","Manabe, Shino; Ishii, Kazuyuki; Hashizume, Daisuke; Ito, Yukishige","S-Phenyl 4,6-O-benzylidene-2,3-O-carbonyl-1-thia-α-D-mannopyranoside","Acta Crystallographica Section E","2007","63","6","o3028","o3028","10.1107/S1600536807022210","","","0.71073","MoKα","","0.0768","0.0381","","","0.0764","0.1031","","","","","","1.124","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213859","7.1114","0.001","6.5381","0.0006","10.5106","0.0015","90","","99.527","0.011","90","","481.95","0.11","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(E)-Methyl 2-oxo-4-phenylbut-3-enoate","","- C11 H10 O3 -","- C11 H10 O3 -","- C22 H20 O6 -","2","1","IS2168","Nachtsheim, Boris J.; Bolte, Michael","Pseudosymmetric (E)-methyl 2-oxo-4-phenylbut-3-enoate","Acta Crystallographica Section E","2007","63","6","o2947","o2947","10.1107/S1600536807024142","","","0.71073","MoKα","","0.0486","0.0467","","","0.129","0.1299","","","","","","1.193","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213877","6.5","0.0004","11.3153","0.0005","16.4559","0.0008","90","","90.716","0.004","90","","1210.23","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-Chloro-16α-methyl-3,11-dioxoandrosta-1,4,6-triene-17β-carboxylic acid","","- C27 H35 Cl O5 -","- C27 H35 Cl O5 -","- C54 H70 Cl2 O10 -","2","1","LH2378","Azim, Irum; Davison, Mark; Dufort, Marisa DeVita; Lalancette, Roger A.; Thompson, Hugh W.","9α-Chloro-16α-methyl-3,11-dioxoandrosta-1,4,6-triene-17β-carboxylic acid pinacolone solvate: catemeric hydrogen bonding and pinacolone solvation in a steroidal diketo acid derived from a commercial glucocorticoid","Acta Crystallographica Section E","2007","63","6","o2853","o2853","10.1107/S1600536807021435","","","1.54178","CuKα","","0.048","0.046","","","0.119","0.121","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213933","6.0095","0.0005","35.278","0.003","7.2352","0.0006","90","","90.018","0.007","90","","1533.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(biphenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C21 H15 F O -","- C21 H15 F O -","- C84 H60 F4 O4 -","4","2","PV2013","Sarojini, B.K.; Yathirajan, H.S.; Sreevidya, T.V.; Narayana, B.; Bolte, Michael","3-(Biphenyl-4-yl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","6","o2945","o2945","10.1107/S1600536807023434","","","0.71073","MoKα","","0.0625","0.0527","","","0.145","0.1497","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214042","5.039","0.001","15.825","0.001","18.33","0.001","90","","90.884","0.001","90","","1461.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4S)-1-Benzyl-4-(N-octylcarbamoyloxy)pyrrolidin-3-yl N-octylcarbamate","","- C29 H49 N3 O4 -","- C29 H49 N3 O4 -","- C58 H98 N6 O8 -","2","1","BG2057","Cicchi, Stefano; Faggi, Cristina; Ghini, Giacomo; Guerri, Annalisa; Parlanti, Iacopo","(3S,4S)-1-Benzyl-4-(N-octylcarbamoyloxy)pyrrolidin-3-yl N-octylcarbamate: a low-temperature redetermination","Acta Crystallographica Section E","2007","63","7","o3082","o3082","10.1107/S160053680702572X","","","1.54184","CuKα","","0.0503","0.0387","","","0.0904","0.0961","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214045","11.271","0.001","7.137","0.001","17.513","0.001","90","","91.62","0.001","90","","1408.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3aR,3bS,11aS,R~S~)-3a,3b,4,5,11,11a-hexahydro-10- {[[(1S,2R,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1] hept-1-yl]methyl]sulfinyl}-7-methoxy-2-phenyl-1H-naphth[2,1-e] isoindole-1,3(2H)-dione","","- C33 H37 N O5 S -","- C33 H37 N O5 S -","- C66 H74 N2 O10 S2 -","2","1","BG2066","Aversa, Maria Chiara; Barattucci, Anna; Bonaccorsi, Paola; Faggi, Cristina; Giannetto, Placido","An enantiopure azasteroidal derivative bearing an isoborneol sulfinyl residue","Acta Crystallographica Section E","2007","63","7","o3319","o3319","10.1107/S1600536807029613","","","1.54178","CuKα","","0.033","0.0287","","","0.0698","0.0717","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214077","10.0007","0.0012","14.7062","0.0018","13.5338","0.0017","90","","98.285","0.002","90","","1969.7","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[[bis(cyclohexyldiphenylphosphine-κP)silver(I)]-μ-cyano- κ^2^N:C-silver(I)-μ-cyano-κ^2^C:N] dichloromethane solvate]","","- C39 H44 Ag2 Cl2 N2 P2 -","- C39 H44 Ag2 Cl2 N2 P2 -","- C78 H88 Ag4 Cl4 N4 P4 -","2","1","BR2046","Xie, Xiaocong; Saparov, Bayrammurad; Yap, Glenn P. A.","catena-Poly[[[bis(cyclohexyldiphenylphosphine-κP)silver(I)]-μ-cyano-κ^2^N:C-silver(I)-μ-cyano-κ^2^C:N] dichloromethane solvate]","Acta Crystallographica Section E","2007","63","7","m1902","m1903","10.1107/S1600536807028607","","","0.71073","MoKα","","0.0263","0.025","","","0.057","0.0581","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2214079","7.1474","0.0005","9.214","0.0006","7.765","0.0005","90","","112.884","0.001","90","","471.12","0.05","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","α-D-glucosamine hydrochloride","","- C6 H14 Cl N O5 -","- C6 H14 Cl N O5 -","- C12 H28 Cl2 N2 O10 -","2","1","BT2375","Harrison, William T. A.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.; Sarojini, B. K.","Redetermination of α-D-glucosamine hydrochloride: elucidation of the hydrogen-bonding scheme","Acta Crystallographica Section E","2007","63","7","o3248","o3248","10.1107/S1600536807024506","","","0.71073","MoKα","","0.0299","0.0286","","","0.074","0.0748","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214097","8.66","0.003","9.423","0.003","13.973","0.002","90","","104","0.02","90","","1106.4","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5α-Acetamido-6β-hydroxy-17-oxoandrostan-3β-yl acetate","","- C23 H35 N O5 -","- C23 H35 N O5 -","- C46 H70 N2 O10 -","2","1","BT2399","Pinto, R. M. A.; Ramos Silva, M.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","5α-Acetamido-6β-hydroxy-17-oxoandrostan-3β-yl acetate","Acta Crystallographica Section E","2007","63","7","o3321","o3321","10.1107/S1600536807029893","","","0.71073","MoKα","","0.0462","0.0344","","","0.092","0.0977","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214103","13.1933","0.0009","3.7913","0.0003","15.774","0.001","90","","111.546","0.008","90","","733.88","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Trichloroaniline","","- C6 H4 Cl3 N -","- C6 H4 Cl3 N -","- C24 H16 Cl12 N4 -","4","2","BT2410","B. Thimme Gowda; Ingrid Svoboda; Hartmut Fuess","2,4,6-Trichloroaniline","Acta Crystallographica Section E","2007","63","7","o3347","o3347","10.1107/S1600536807030929","","","0.71073","MoKα","","0.0281","0.0223","","","0.0494","0.0516","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214165","7.3142","0.0003","5.8612","0.0002","9.8969","0.0002","90","","98.829","0.002","90","","419.25","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","p-Hydroxyanilinium bisulfate","3-Hydroxyanilinium hydrogensulfate","","- C6 H9 N O5 S -","- C6 H9 N O5 S -","- C12 H18 N2 O10 S2 -","2","1","DN2197","Nourredine Benali-Cherif; Alima Kateb; Houda Boussekine; Zina Boutobba; Amel Messai","3-Hydroxyanilinium hydrogensulfate","Acta Crystallographica Section E","2007","63","7","o3251","o3251","10.1107/S1600536807028978","","","0.71073","MoKα","","0.0339","0.0303","","","0.0848","0.0993","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214172","3.9472","0.0004","23.281","0.002","6.0379","0.0006","90","","104.214","0.001","90","","537.86","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(5-Chlorothiophen-2-yl)methylene]-5-methylthiazol-2-amine","","- C9 H7 Cl N2 S2 -","- C9 H7 Cl N2 S2 -","- C18 H14 Cl2 N4 S4 -","2","1","DN2206","Chun-Niu Zhang; Yun-Fa Zheng","N-[(5-Chlorothiophen-2-yl)methylene]-5-methylthiazol-2-amine","Acta Crystallographica Section E","2007","63","7","o3310","o3310","10.1107/S1600536807030255","","","0.71073","MoKα","","0.0233","0.0223","","","0.0595","0.06","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214297","11.331","0.003","6.738","0.001","16.366","0.003","90","","96.275","0.01","90","","1242","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,5R,8R,9R,10R,13S,14R,17S)-Methyl 3β-acetoxy-17β-chloro-18-oxo-19,20,21,22,29,30-hexanorlupan-28-oate","","- C27 H41 Cl O5 -","- C27 H41 Cl O5 -","- C54 H82 Cl2 O10 -","2","1","LH2400","Císařová, Ivana; Kvasnica, Miroslav; Sarek, Jan","(3S,5R,8R,9R,10R,13S,14R,17S)-Methyl 3β-acetoxy-17β-chloro-18-oxo-19,20,21,22,29,30-hexanorlupan-28-oate","Acta Crystallographica Section E","2007","63","7","o3145","o3145","10.1107/S1600536807026487","","","0.71073","MoKα","","0.0467","0.0384","","","0.0895","0.0962","","","","","","1.102","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214301","10.72","0.004","9.192","0.004","10.819","0.004","90","","90.89","0.005","90","","1066","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4S)-1-Benzhydryl-4-[(R)-2,2-dimethyl-1,3- dioxolan-4-yl]-3-[(S)-1-hydroxyethyl]-2-azetidinone","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","LH2404","Hao Zhang; Fen-Er Chen; Min-Qin Chen","(3S,4S)-1-Benzhydryl-4-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(S)-1-hydroxyethyl]azetidin-2-one","Acta Crystallographica Section E","2007","63","7","o3099","o3099","10.1107/S160053680702692X","","","0.71073","MoKα","","0.0616","0.048","","","0.1145","0.1228","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214320","12.44","0.004","7.466","0.003","14.443","0.005","90","","111.22","0.03","90","","1250.5","0.8","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3,3'-Bis(3,4,5-trifluorophenyl)-1,1'-binaphthalene-2,2'-diol","","- C32 H16 F6 O2 -","- C32 H16 F6 O2 -","- C64 H32 F12 O4 -","2","1","LH2424","Kang, Tai-Ran; He, Long; Ng, Seik Weng","(R)-3,3'-Bis(3,4,5-trifluorophenyl)-1,1'-binaphthalene-2,2'-diol","Acta Crystallographica Section E","2007","63","7","o3190","o3190","10.1107/S1600536807027870","","","0.71073","MoKα","","0.142","0.07","","","0.16","0.184","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214335","8.258","0.009","5.847","0.009","10.414","0.009","90","","97.7","0.08","90","","498.3","1","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methanesulfon-3,4-dimethylanilide","N-(3,4-Dimethylphenyl)methanesulfonamide","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C18 H26 N2 O4 S2 -","2","1","LW2021","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","N-(3,4-Dimethylphenyl)methanesulfonamide","Acta Crystallographica Section E","2007","63","7","o3085","o3085","10.1107/S1600536807026086","","","1.5418","CuKα","","0.1079","0.0824","","","0.2381","0.2664","","","","","","1.116","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214359","4.5759","0.0006","9.4134","0.0011","18.54","0.002","90","","95.049","0.002","90","","795.51","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-(1-Benzyl-5-bromo-1H-indol-3-yl)-2-hydroxy-N- methylacetamide","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C36 H34 Br2 N4 O4 -","2","1","OM2117","Lu, Hai-Hua; Chen, Cai-Bao; Hong-Ming Dong","(S)-2-(1-Benzyl-5-bromo-1H-indol-3-yl)-2-hydroxy-N-methylacetamide","Acta Crystallographica Section E","2007","63","7","o3261","o3261","10.1107/S1600536807025767","","","0.71073","MoKα","","0.0366","0.0287","","","0.0608","0.0627","","","","","","0.945","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214376","10.9843","0.0002","22.8189","0.0004","13.5307","0.0003","90","","90.4679","0.0008","90","","3391.35","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","Oxalate dimer of DHEA","Bis(17-oxoandrost-5-en-3β-yl) oxalate","","- C40 H54 O6 -","- C40 H54 O6 -","- C160 H216 O24 -","4","2","PK2029","Cox, Philip J.; Nahar, Lutfan; Sarker, Satyajit D.; Alan B. Turner","The oxalate diester of dehydroepiandrosterone","Acta Crystallographica Section E","2007","63","7","o3222","o3222","10.1107/S1600536807028620","","","0.71073","MoKα","","","0.0409","","","","0.101","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214501","5.1684","0.0002","8.5494","0.0003","15.9227","0.0005","90","","95.518","0.002","90","","700.31","0.04","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl N-[(1R,2R)-2-(isothiocyanato)cyclohexyl]carbamate","","- C12 H20 N2 O2 S -","- C12 H20 N2 O2 S -","- C24 H40 N4 O4 S2 -","2","1","BG2075","Zhong, Ming; Siegler, Maxime; Long, Sihui","tert-Butyl N-[(1R,2R)-2-(isothiocyanato)cyclohexyl]carbamate","Acta Crystallographica Section E","2007","63","8","o3589","o3589","10.1107/S1600536807035015","","","0.71073","MoKα","","0.0441","0.0359","","","0.0789","0.0833","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214545","11.7293","0.0014","7.0854","0.0008","17.169","0.002","90","","93.841","0.01","90","","1423.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexaaquazinc(II) D-camphor-10-sulfonate","","- C20 H42 O14 S2 Zn -","- C20 H42 O14 S2 Zn -","- C40 H84 O28 S4 Zn2 -","2","1","BT2423","Schepke, Manuela; Edelmann, Frank T.; Blaurock, Steffen","Hexaaquazinc(II) D-camphor-10-sulfonate","Acta Crystallographica Section E","2007","63","8","m2071","m2071","10.1107/S1600536807031984","","","0.71073","MoKα","","0.0454","0.0339","","","0.0834","0.0871","","","","","","0.972","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214548","7.3437","0.0015","10.85","0.002","15.971","0.003","90","","97.88","0.004","90","","1260.5","0.4","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-chloroaniliniun hydrogen L-(+)-tartrate monohydrate","4-chloroanilinium hydrogen (2R,3R)-tartrate monohydrate","","- C10 H14 Cl N O7 -","- C10 H14 Cl N O7 -","- C40 H56 Cl4 N4 O28 -","4","2","BT2426","Graham Smith; Urs D. Wermuth; Jonathan M. White","4-Chloroanilinium hydrogen (2R,3R)-tartrate monohydrate","Acta Crystallographica Section E","2007","63","8","o3432","o3433","10.1107/S1600536807032473","","","0.71073","MoKα","","0.0889","0.0759","","","0.1897","0.1971","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214569","8.878","0.0011","9.0141","0.0011","9.5576","0.0012","90","","116.989","0.002","90","","681.57","0.15","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diaquasilver(I) 6-aminonaphthalene-1-sulfonate monohydrate","","- C10 H14 Ag N O6 S -","- C10 H14 Ag N O6 S -","- C20 H28 Ag2 N2 O12 S2 -","2","1","CF2112","Li, Yu-Jie; Dong, Xian-Wu; Wu, Hua","Diaquasilver(I) 6-aminonaphthalene-1-sulfonate monohydrate","Acta Crystallographica Section E","2007","63","8","m2230","m2230","10.1107/S1600536807036495","","","0.71073","MoKα","","0.0447","0.0331","","","0.0891","0.1405","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214647","6.4996","0.0013","6.3375","0.0013","10.983","0.002","90","","93.07","0.03","90","","451.75","0.15","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2-Di-C-methoxy-1,4:3,6-dianhydromannitol","","- C8 H14 O5 -","- C8 H14 O5 -","- C16 H28 O10 -","2","1","FL2143","Quan-Jian Lv; Xue-Hui Hou","2,2-Di-C-methoxy-1,4:3,6-dianhydromannitol","Acta Crystallographica Section E","2007","63","8","o3653","o3653","10.1107/S1600536807033387","","","0.71073","MoKα","","0.0536","0.0506","","","0.1345","0.1376","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214722","8.3182","0.0011","12.4523","0.0017","9.0479","0.0012","90","","111.429","0.002","90","","872.4","0.2","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Diethyl cis-4,8-dioxo-3,4,7,8-tetrahydro-1H,5H-2,6-dioxa-3a,4a,7a,8a- tetraazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C14 H18 N4 O8 -","- C14 H18 N4 O8 -","- C28 H36 N8 O16 -","2","1","HK2272","Neng-Fang She; Hai-Ling Xi","Diethyl cis-4,8-dioxo-3,4,7,8-tetrahydro-1H,5H-2,6-dioxa-3a,4a,7a,8a-tetraazacyclopenta[def]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2007","63","8","o3495","o3495","10.1107/S1600536807033739","","","0.71073","MoKα","","0.0474","0.0423","","","0.1019","0.105","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214779","6.1387","0.0002","7.4088","0.0003","10.8142","0.0003","90","","94.996","0.002","90","","489.97","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-C-Dimethyl-D-allono-1,4-lactone","","- C8 H14 O6 -","- C8 H14 O6 -","- C16 H28 O12 -","2","1","LH2443","Jones, Nigel A.; Jenkinson, Sarah F.; Curran, Louise A.; Watkin, David J.; Fleet, George W. J.","2,3-Di-C-methyl-D-allono-1,4-lactone","Acta Crystallographica Section E","2007","63","8","o3415","o3415","10.1107/S1600536807030541","","","0.71073","MoKα","","0.0251","0.0242","","0.0586","0.0583","0.0586","","","","","","0.9793","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214780","5.9838","0.0003","11.7424","0.0005","7.9189","0.0005","90","","91.8112","0.0018","90","","556.14","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","5,6-O-Isopropylidene-3-C-methyl-D-mannono-1,4-lactone","","- C10 H16 O6 -","- C10 H16 O6 -","- C20 H32 O12 -","2","1","LH2444","Curran, Louise A.; Jones, Nigel A.; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.","5,6-O-Isopropylidene-3-C-methyl-D-mannono-1,4-lactone","Acta Crystallographica Section E","2007","63","8","o3416","o3416","10.1107/S160053680703125X","","","0.71073","MoKα","","0.0519","0.0403","","0.0941","0.0905","0.0941","","","","","","0.9078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214903","7.1873","0.0004","14.2273","0.0009","8.386","0.0004","90","","96.952","0.004","90","","851.21","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aS*,10aR*)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthren-2-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","WW2088","Zeroual, Abdellah; Mazoir, Noureddine; Berraho, Moha; Auhmani, Aziz; Benharref, Ahmed","(4aS*,10aR*)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-one","Acta Crystallographica Section E","2007","63","8","o3497","o3498","10.1107/S1600536807033594","","","0.71073","MoKα","","0.052","0.0448","","","0.12","0.1255","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214908","9.2203","0.0018","19.744","0.004","9.3552","0.0019","90","","101.72","0.03","90","","1667.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tetraaquabis(5-carboxypyridine-2-carboxylato-κ^2^N,O)bis(μ~4~- pyridine-2,5-dicarboxylato-κ^5^N,O:O:O':O'')dilanthanum(III)] dihydrate]","","- C28 H26 La2 N4 O22 -","- C28 H26 La2 N4 O22 -","- C56 H52 La4 N8 O44 -","2","1","XU2283","Zhang, Fan; Yu, Bin; Wang, Xiao-Qing; Shen, Guang-Qiu; Shen, De-Zhong","Poly[[tetraaquabis(5-carboxypyridine-2-carboxylato-κ^2^N,O)bis(μ~4~-pyridine-2,5-dicarboxylato-κ^5^N,O:O:O':O'')dilanthanum(III)] dihydrate]","Acta Crystallographica Section E","2007","63","8","m2069","m2070","10.1107/S1600536807032059","","","0.71073","MoKα","","0.068","0.064","","","0.172","0.174","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214913","12.39","0.002","13.819","0.002","21.261","0.003","90","","101.348","0.002","90","","3569.1","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diaquabis[(1R,2R)-(+)‒1,2-diphenylethylenediamine- κ^2^N,N']nickel(II) dichloride‒dichloridobis(1,10-phenanthroline- κ^2^N,N')nickel(II) (1/2)","","- C76 H68 Cl6 N12 Ni3 O2 -","- C76 H68 Cl6 N12 Ni3 O2 -","- C152 H136 Cl12 N24 Ni6 O4 -","2","1","XU2291","Zhang, Yu-Zhen; Chen, Zi-Lu; Ng, Seik Weng","Diaquabis[(1R,2R)-(+)‒1,2-diphenylethylenediamine-κ^2^N,N']nickel(II) dichloride‒dichloridobis(1,10-phenanthroline-κ^2^N,N')nickel(II) (1/2)","Acta Crystallographica Section E","2007","63","8","m2123","m2123","10.1107/S1600536807033296","","","0.71073","MoKα","","0.142","0.056","","","0.122","0.165","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214942","11.6427","0.0017","5.442","0.0007","13.2339","0.0019","90","","90.936","0.002","90","","838.4","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Chlorobenzyl)-2-(4-chlorophenyl)-1H-benzimidazole","","- C20 H14 Cl2 N2 -","- C20 H14 Cl2 N2 -","- C40 H28 Cl4 N4 -","2","1","AT2364","Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Xia, Hai-Tao","1-(4-Chlorobenzyl)-2-(4-chlorophenyl)-1H-benzimidazole","Acta Crystallographica Section E","2007","63","9","o3758","o3758","10.1107/S1600536807038871","","","0.71073","MoKα","","0.0809","0.0423","","","0.0726","0.0858","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215021","5.2285","0.0001","33.4467","0.0009","9.4726","0.0003","90","","91.7226","0.0012","90","","1655.78","0.08","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3aS,5aR,8aR,8bS)- 4-Bromo-2-(4-methoxyphenyl)-7,7-dimethyl-3a,5a,8a,8b-tetrahydrobenzo[1,2- d:3,4-d']bis[1,3]dioxole","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","2","BT2471","Martin G. Banwell; Okanya J. Kokas; Anthony C. Willis","(2R,3aS,5aR,8aR,8bS)-4-Bromo-2-(4-methoxyphenyl)-7,7-dimethyl-3a,5a,8a,8b-tetrahydrobenzo[1,2-d:3,4-d']bis[1,3]dioxole","Acta Crystallographica Section E","2007","63","9","o3820","o3820","10.1107/S1600536807039232","","","0.71073","MoKα","","0.0426","0.0341","","0.0777","0.0746","0.0777","","","","","","0.9659","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215204","6.0647","0.0002","7.1798","0.0002","10.1956","0.0002","90","","109.195","0.002","90","","419.27","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S)-3-Hydroxy-N,N-dimethylproline monohydrate","","- C7 H15 N O4 -","- C7 H15 N O4 -","- C14 H30 N2 O8 -","2","1","LH2473","Jenkinson, Sarah F.; Cowley, Andrew; Atsushi Kato; Noriko Kato; Jackie Hollinshead; Robert J. Nash; Kathrine V. Booth; George W. J. Fleet","(2R,3S)-3-Hydroxy-N,N-dimethylproline monohydrate","Acta Crystallographica Section E","2007","63","9","o3717","o3717","10.1107/S1600536807038123","","","1.5418","CuKα","","0.0334","0.0328","","0.039","0.0385","0.0385","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215277","9.3919","0.0011","11.6665","0.0013","9.5762","0.0009","90","","108.336","0.008","90","","996","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phenyl 2,3,4-tri-O-acetyl-1-thio-α-L-rhamnopyranoside","","- C18 H22 O7 S -","- C18 H22 O7 S -","- C36 H44 O14 S2 -","2","1","TK2174","Yow-Fu Tsai; Jen-Ta Yang; Jhy-Der Chen; Chia-Her Lin","Phenyl 2,3,4-tri-O-acetyl-1-thio-α-L-rhamnopyranoside: a glycosyl donor","Acta Crystallographica Section E","2007","63","9","o3772","o3772","10.1107/S1600536807038974","","","0.71073","MoKα","","0.043","0.035","","","0.089","0.095","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215306","9.917","0.003","6.927","0.003","10.518","0.003","90","","109.35","0.03","90","","681.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[Hydroxy(4-nitrophenyl)methyl]-4-methylcyclohexanone","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","XU2309","You-Ping Li","2-[Hydroxy(4-nitrophenyl)methyl]-4-methylcyclohexanone","Acta Crystallographica Section E","2007","63","9","o3834","o3834","10.1107/S1600536807039943","","","0.71073","MoKα","","0.113","0.069","","","0.177","0.205","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215310","10.8821","0.0019","9.5688","0.0016","12.952","0.002","90","","95.754","0.004","90","","1341.9","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,3S)-N-(2-(4-Chlorophenyl)-1-{N-[2-methyl-1-(N- methylcarbamoyl)propyl]carbamoyl}-3-phenylcyclopropyl)benzamide","","- C29 H30 Cl N3 O3 -","- C29 H30 Cl N3 O3 -","- C58 H60 Cl2 N6 O6 -","2","1","ZL2036","Wan-Yun Huang; Gui-Fa Su; Cheng-Xue Pan; Zi-Lu Chen; Yong Zhang","(1S,2S,3S)-N-(2-(4-Chlorophenyl)-1-{N-[2-methyl-1-(N-methylcarbamoyl)propyl]carbamoyl}-3-phenylcyclopropyl)benzamide","Acta Crystallographica Section E","2007","63","9","o3743","o3743","10.1107/S1600536807038391","","","0.7107","MoKα","","0.0443","0.039","","","0.0831","0.0868","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215314","5.2406","0.0011","7.8236","0.0014","9.718","0.002","90","","94.2","0.02","90","","397.37","0.14","100","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid","","- C7 H10 O5 -","- C7 H10 O5 -","- C14 H20 O10 -","2","1","ZL2053","Stocksdale, Mark G.; Margaret K. Padgitt; Berg, Michael A. G.; Slebodnick, Carla","(S)-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid","Acta Crystallographica Section E","2007","63","9","o3767","o3768","10.1107/S1600536807038317","","","1.54184","CuKα","","","0.0253","","","","0.0643","","","","","","1.132","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215317","5.0622","0.0004","6.7001","0.0005","8.0543","0.0005","90","","91.706","0.005","90","","273.06","0.03","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","L-Asparagine","L-Asparagine","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C8 H16 N4 O6 -","2","1","ZL2057","Yamada, Kazuhiko; Hashizume, Daisuke; Shimizu, Tadashi; Yokoyama, Shigeyuki","L-Asparagine","Acta Crystallographica Section E","2007","63","9","o3802","o3803","10.1107/S1600536807039505","","","0.71073","MoKα","","0.0346","0.0324","","","0.0834","0.0853","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215337","14.497","0.002","6.1192","0.0014","14.732","0.002","90","","102.819","0.002","90","","1274.3","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Methoxy-N-(3,4-methylenedioxybenzylidene)aniline","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","2","AT2399","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Yu, Zhi-Qun","(E)-4-Methoxy-N-(3,4-methylenedioxybenzylidene)aniline","Acta Crystallographica Section E","2007","63","10","o4098","o4098","10.1107/S1600536807045503","","","0.71073","MoKα","","0.1783","0.1027","","","0.2505","0.3028","","","","","","0.952","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215356","7.3998","0.001","16.383","0.002","9.2162","0.0013","90","","92.322","0.002","90","","1116.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C48 H52 N4 O14 -","2","1","BI2220","Yong Bao; Fen-Er Chen; Min-Qin Chen","(4'S)-4'-Ethyl-3',10'-dioxo-3',4',7',8'-tetrahydrospiro[1,3-dioxolane-2,6'-1'H,6'H-pyrano[3,4-f]indolizin]-4'-yl N-(1-phenylethyl)carbamate","Acta Crystallographica Section E","2007","63","10","o3941","o3941","10.1107/S1600536807038731","","","0.71073","MoKα","","0.0399","0.0344","","","0.0837","0.0872","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215407","10.167","0.002","9.617","0.002","18.11","0.004","90","","94.68","0.03","90","","1764.8","0.6","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","μ-[Bis(3,3-dimethylbut-1-ynyl)diphenylsilane]bis[(cycloocta-1,5- diene)nickel(II)](Ni—Ni)","","- C40 H52 Ni2 Si -","- C40 H52 Ni2 Si -","- C80 H104 Ni4 Si2 -","2","1","CF2141","Imhof, Wolfgang; Klettke, Thomas; Walther, Dirk","μ-[Bis(3,3-dimethylbut-1-ynyl)diphenylsilane]bis[(cycloocta-1,5-diene)nickel(II)](Ni{—Ni})","Acta Crystallographica Section E","2007","63","10","m2567","m2567","10.1107/S1600536807045825","","","0.71073","MoKα","","0.0353","0.0271","","","0.0654","0.07","","","","","","1.149","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215428","6.2922","0.0013","27.423","0.006","10.009","0.002","90","","90.84","0.03","90","","1726.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-(ammoniomethyl)-5-methylhexanoate‒(S)-mandelic acid (1/1)","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","CS2049","Samas, Brian; Wang, Wei; Godrej, Delara B","1:1 Cocrystal of (S)-3-(ammoniomethyl)-5-methylhexanoate and (S)-mandelic acid","Acta Crystallographica Section E","2007","63","10","o3938","o3938","10.1107/S1600536807041803","","","0.71073","MoKα","","0.1108","0.0585","","","0.1282","0.148","","","","","","0.917","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215434","9.4241","0.0019","10.073","0.002","19.849","0.004","90","","102.52","0.03","90","","1839.4","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 1-benzoyl-4-chloro-2-phenylprolinate","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","2","CV2292","Tamazyan, Rafael; Ayvazyan, Armen; Martirosyan, Ashot; Martirosyan, Vahan; Raymond Schinazi","Ethyl 1-benzoyl-4-chloro-2-phenylprolinate","Acta Crystallographica Section E","2007","63","10","o3967","o3967","10.1107/S1600536807042213","","","0.71073","MoKα","","0.1273","0.0604","","","0.1161","0.1409","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215459","15.9298","0.0016","11.8296","0.0012","16.8033","0.0017","90","","108.502","0.002","90","","3002.8","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Pterodondiol","Pterodondiol","","- C15 H28 O2 -","- C15 H28 O2 -","- C120 H224 O16 -","8","4","ER2031","Mei, Zhi-nan; Li, Yun-fang; Yang, Guang-zhong","Pterodondiol","Acta Crystallographica Section E","2007","63","10","o4010","o4010","10.1107/S1600536807043152","","","0.71073","MoKα","","0.0784","0.053","","","0.1293","0.1476","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215464","12.075","0.004","10.907","0.004","12.328","0.004","90","","101.396","0.005","90","","1591.6","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5S)-Methyl 1,3-dibenzyl-5-[(R)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carbonyl]- 2-oxoimidazolidine-4-carboxylate","","- C37 H37 N3 O5 -","- C37 H37 N3 O5 -","- C74 H74 N6 O10 -","2","1","EZ2097","Jian Liu; Fen-Er Chen; Min-Qin Chen","(4R,5S)-Methyl 1,3-dibenzyl-5-[(R)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carbonyl]-2-oxoimidazolidine-4-carboxylate","Acta Crystallographica Section E","2007","63","10","o4127","o4127","10.1107/S1600536807045874","","","0.71073","MoKα","","0.0645","0.0419","","","0.1009","0.1107","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215487","9.365","0.006","8.103","0.005","17.691","0.012","90","","99.673","0.012","90","","1323.4","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Di-μ-chlorido-bis(chlorido{2-[(2S)-pyrrolidin-2-yl]-1H- benzimidazole}cadmium(II))","","- C22 H26 Cd2 Cl4 N6 -","- C22 H26 Cd2 Cl4 N6 -","- C44 H52 Cd4 Cl8 N12 -","2","1","GK2093","Fu, Da-Wei; Ye, Heng-Yun","Di-μ-chlorido-bis(chlorido{2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole}cadmium(II))","Acta Crystallographica Section E","2007","63","10","m2453","m2453","10.1107/S1600536807041980","","","0.71073","MoKα","","0.0305","0.0274","","","0.0594","0.0607","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215499","8.81","0.0018","31.318","0.006","9.046","0.0018","90","","103.42","0.03","90","","2427.7","0.9","298","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzene-1,2,3-triyl tris(benzenesulfonate)","","- C24 H18 O9 S3 -","- C24 H18 O9 S3 -","- C96 H72 O36 S12 -","4","2","HB2522","Xiao, Zhu-Ping; Li, Huan-Qiu; Shi, Lei; Fang, Rui-Qin; Zhu, Hai-Liang","Benzene-1,2,3-triyl tris(benzenesulfonate)","Acta Crystallographica Section E","2007","63","10","o4130","o4130","10.1107/S1600536807043887","","","0.71073","MoKα","","0.0645","0.0442","","","0.101","0.1158","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215533","7.2245","0.0004","9.7093","0.0005","9.9373","0.0005","90","","95.689","0.003","90","","693.62","0.06","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cocrystal of (2S,3aS,4R,5R,7aS)- and (2R,3aS,4R,5R,7aS)-7-bromo- 2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (17:3)","","- C14 H15 Br O5 -","- C14 H15 Br O5 -","- C28 H30 Br2 O10 -","2","1","HG2294","Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C.","A cocrystal of (2S,3aS,4R,5R,7aS)- and (2R,3aS,4R,5R,7aS)-7-bromo-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (17:3)","Acta Crystallographica Section E","2007","63","10","o4187","o4187","10.1107/S1600536807046995","","","0.71073","MoKα","","0.0349","0.0302","","0.0764","0.074","0.0764","","","","","","0.9847","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215567","6.525","0.004","15.885","0.01","14.401","0.009","90","","100.475","0.01","90","","1467.8","1.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(24R)-24-acetoxy-11β, 25-dihydroxy-16β,23β-epoxyprotost-13(17)-en-3-one","","- C32 H50 O6 -","- C32 H50 O6 -","- C64 H100 O12 -","2","1","IS2209","Wang, Xiao-Bing; Kong, Ling-Yi","Alisol F 24-acetate: (24R)-24-acetoxy-11{β},25-dihydroxy-16{β},23{β}-epoxyprotost-13(17)-en-3-one","Acta Crystallographica Section E","2007","63","10","o4110","","10.1107/S1600536807045126","","","0.71073","MoKα","","0.1179","0.0892","","","0.2151","0.2357","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215577","11.9025","0.0012","18.2497","0.0019","12.7798","0.0013","90","","109.639","0.002","90","","2614.5","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1-(1H-1,3-benzimidazol-2-yl)guanidinium dihydrogendodecamolybdophosphate‒methanol‒water (1:2.5:4)","","- C10.5 H30 Mo12 N5 O46.5 P -","- C10.5 H30 Mo12 N5 O46.5 P -","- C21 H60 Mo24 N10 O93 P2 -","2","1","LH2487","Mehrdad Pourayoubi; Ali Reza Mahjoub","1-(1H-1,3-Benzimidazol-2-yl)guanidinium dihydrogendodecamolybdophosphate‒methanol‒water (1/2.5/4)","Acta Crystallographica Section E","2007","63","10","m2622","m2623","10.1107/S1600536807046612","","","0.71073","MoKα","","0.0436","0.0427","","","0.0943","0.0949","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2215590","9.159","0.001","5.067","0.001","12.041","0.001","90","","108.27","0.02","90","","530.64","0.14","118","2","118","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-5-bromo-2'-deoxyuridine","(+)-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]- pyrimidine-2,4-dione","","- C9 H11 Br N2 O5 -","- C9 H11 Br N2 O5 -","- C18 H22 Br2 N4 O10 -","2","1","LH2504","Pawel Sledz; Maksymilian Chruszcz; Wladek Minor","Absolute configuration from a redetermination of (+)-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione at 118(2) K","Acta Crystallographica Section E","2007","63","10","o4159","o4160","10.1107/S1600536807046077","","","0.71074","MoKα","","0.0209","0.0206","","","0.0547","0.0549","","","","","","1.039","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2215616","8.6965","0.0009","6.5597","0.0007","11.8601","0.0013","90","","109.245","0.002","90","","638.77","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[bis(μ~2~-azido-κ^2^N^1^:N^3^)(μ~2~-3,5-di-2-pyridyl- 1,2,4-triazole-κ^4^N^1^,N^5^:N^2^,N^3^)manganese(II)]","","- C24 H16 Mn2 N16 -","- C24 H16 Mn2 N16 -","- C24 H16 Mn2 N16 -","1","0.5","NG2325","Hu,Sheng; Zhang, Shu-Hua; Zeng, Ming-Hua","Poly[bis(μ~2~-azido-κ^2^N^1^:N^3^)(μ~2~-3,5-di-2-pyridyl-1,2,4-triazole-κ^4^N^1^,N^5^:N^2^,N^3^)manganese(II)]","Acta Crystallographica Section E","2007","63","10","m2543","m2543","10.1107/S1600536807044066","","","0.71073","MoKα","","0.0375","0.0349","","","0.0751","0.0762","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215643","7.4207","0.0004","7.3115","0.0004","16.421","0.001","90","","102.899","0.001","90","","868.46","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetrahydropyrimidin-2-ylideneammonium camphor-10-sulfonate","Tetrahydropyrimidin-2-ylideneammonium 2-oxobornane-10-sulfonate","","- C14 H25 N3 O4 S -","- C14 H25 N3 O4 S -","- C28 H50 N6 O8 S2 -","2","1","RN2027","Harrison, William T. A.","Tetrahydropyrimidin-2-ylideneammonium camphor-10-sulfonate","Acta Crystallographica Section E","2007","63","10","o4058","o4058","10.1107/S160053680704442X","","","0.71073","MoKα","","0.0417","0.0356","","","0.0947","0.0974","","","","","","1.087","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2215690","8.302","0.004","10.15","0.002","13.56","0.005","90","","95.33","0.003","90","","1137.7","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,2 dihydrocedrelone","7-furan-3-yl-6-hydroxy-4,4,8,10,13-pentamethyl-1,8,9,10,11,12,13,15,16,17- decahydro-2H,4H-20-oxacyclopropa[14,15]cyclopenta[a]phenanthrene- 3,7-dione","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","WN2196","S. Soundarya Devi; S. S. Rajan; R. Mohan Kumar; S. Narasimhan","1,2-Dihydrocedrelone","Acta Crystallographica Section E","2007","63","10","o3963","o3963","10.1107/S1600536807042535","","","1.54184","CuKα","","0.0657","0.0617","","","0.1714","0.1893","","","","","","0.797","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215703","9.4407","0.0001","5.3902","0.0002","18.6522","0.0003","90","","94.036","0.01","90","","946.81","0.04","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1H-Benzimidazol-1-yl)-1-(furan-2-yl)ethanone O-2,4-dichlorobenzyloxime","","- C20 H15 Cl2 N3 O2 -","- C20 H15 Cl2 N3 O2 -","- C40 H30 Cl4 N6 O4 -","2","1","XU2319","Özel Güven, Özden; Erdoğan, Taner; Çaylak, Nagihan; Hökelek, Tuncer","2-(1H-Benzimidazol-1-yl)-1-(furan-2-yl)ethanone O-2,4-dichlorobenzyloxime","Acta Crystallographica Section E","2007","63","10","o4090","o4091","10.1107/S1600536807045345","","","0.71073","MoKα","","0.1188","0.0438","","","0.0941","0.1175","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215753","8.0506","0.0009","6.764","0.0008","18.858","0.002","90","","95.639","0.002","90","","1021.9","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Demethylincisterol A3","(3aS,5aR,6R,8aR)-3a-Hydroxy-5a-methyl-6-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen- 1-yl]-3a,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[e]benzofuran-2-one","","- C21 H32 O3 -","- C21 H32 O3 -","- C42 H64 O6 -","2","1","AV3110","Wang, Wen-liang; Tao, Hong-wen; Sun, Wei; Gu, Qian-Qun; Zhu, Wei-Ming","(3aS,5aR,6R,8aR)-3a-Hydroxy-5a-methyl-6-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-3a,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[e]benzofuran-2-one","Acta Crystallographica Section E","2007","63","11","o4196","o4196","10.1107/S1600536807047307","","","0.71073","MoKα","","0.0862","0.0454","","","0.0948","0.1127","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215782","7.865","0.003","17.017","0.007","13.711","0.006","90","","105.322","0.006","90","","1769.8","1.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 6-methoxygambogate","","- C40 H48 O8 -","- C40 H48 O8 -","- C80 H96 O16 -","2","1","BQ2036","Wenyuan Liu; Feng Feng; Xiaobing Wang; Qinglong Guo; Qidong You","Methyl 6-methoxygambogate","Acta Crystallographica Section E","2007","63","11","o4319","o4319","10.1107/S1600536807049537","","","0.71073","MoKα","","0.0929","0.0485","","","0.1207","0.1525","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215811","8.7642","0.0015","8.7401","0.0014","11.0393","0.0018","90","","106.459","0.007","90","","811","0.2","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-Tetrahydroquinolin-7-amine","","- C9 H12 N2 -","- C9 H12 N2 -","- C36 H48 N8 -","4","2","BT2542","Yan, Fan-Yong; Liu, Dong-Qing; Cao, Xiao-Hui; Yan, Xi-Long; Wang, Jin-Peng","1,2,3,4-Tetrahydroquinolin-7-amine","Acta Crystallographica Section E","2007","63","11","o4455","o4455","10.1107/S1600536807050878","","","0.7107","MoKα","","0.0492","0.0423","","","0.0895","0.0932","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215913","7.0164","0.0004","7.9267","0.0004","18.5843","0.0011","90","","90.871","0.006","90","","1033.48","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","12-Methoxy-15-(pyridin-3-ylmethylamino)podocarpa-8,11,13-trien-15-one","6-methoxy-1,4a-dimethyl-N-(3-pyridylmethyl)-1,2,3,4,4a,9,10,10a- octahydrophenanthrene-1-carboxamide","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","1","FL2167","Mouamba, Claudia; Butcher, Raymond J.; Bakare, Oladapo","12-Methoxy-15-(pyridin-3-ylmethylamino)podocarpa-8,11,13-trien-15-one","Acta Crystallographica Section E","2007","63","11","o4350","o4350","10.1107/S1600536807050088","","","0.71073","MoKα","","0.0324","0.0317","","","0.0871","0.0877","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215914","9.5085","0.001","12.9946","0.0013","11.5893","0.0012","90","","104.11","0.002","90","","1388.8","0.2","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","brucinium hydrogen 4,5-dichlorophthalate","2,3-Dimethoxy-10-oxostrychnidinium 2-carboxy-4,5-dichlorobenzoate","","- C31 H30 Cl2 N2 O8 -","- C31 H30 Cl2 N2 O8 -","- C62 H60 Cl4 N4 O16 -","2","1","FL2168","Graham Smith; Urs D. Wermuth; Jonathan M. White","2,3-Dimethoxy-10-oxostrychnidinium 2-carboxy-4,5-dichlorobenzoate","Acta Crystallographica Section E","2007","63","11","o4276","o4277","10.1107/S1600536807047952","","","0.71073","MoKα","","0.0379","0.0362","","","0.0856","0.0867","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215943","13.336","0.006","6.477","0.003","14.454","0.007","90","","114.777","0.007","90","","1133.6","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(4-Aminobenzyl)anilinium 2-hydroxy-2,2-diphenylacetate","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","HB2574","Li, Jie","4-(4-Aminobenzyl)anilinium 2-hydroxy-2,2-diphenylacetate","Acta Crystallographica Section E","2007","63","11","o4303","o4303","10.1107/S1600536807049331","","","0.71073","MoKα","","0.0842","0.0585","","","0.1385","0.1509","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215945","6.96","0.005","14.094","0.005","14.947","0.005","90","0.005","95.099","0.005","90","0.005","1460.4","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(2,2-bipyridine)bis(μ~4~-naphthalene-1,4-dicarboxylato)dilead(II)]","","- C34 H20 N2 O8 Pb2 -","- C34 H20 N2 O8 Pb2 -","- C68 H40 N4 O16 Pb4 -","2","1","HB2578","Yan-Bing Yin; Hai-Xia Yu","Poly[(2,2-bipyridine)bis(μ~4~-naphthalene-1,4-dicarboxylato)dilead(II)]","Acta Crystallographica Section E","2007","63","11","m2804","m2804","10.1107/S1600536807051380","","","0.71073","MoKα","","0.0301","0.0281","","","0.0601","0.0608","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215946","7.063","0.003","14.602","0.005","14.526","0.005","90","","94.922","0.005","90","","1492.6","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1E,4E)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one","","- C36 H20 N2 O8 Pb2 -","- C36 H20 N2 O8 Pb2 -","- C72 H40 N4 O16 Pb4 -","2","1","HB2579","Yan-Bing Yin; Hai-Xia Yu","Poly[bis(μ~3~-naphthalene-1,4-dicarboxylato)(1,10-phenanthroline)dilead(II)]","Acta Crystallographica Section E","2007","63","11","m2761","m2761","10.1107/S1600536807050702","","","0.71073","MoKα","","0.0262","0.0236","","","0.044","0.0461","","","","","","0.912","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215950","14.619","0.006","6.442","0.003","24.938","0.01","90","","105.499","0.007","90","","2263.1","1.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(4-Aminophenoxy)anilinium 2-hydroxy-2,2-diphenylacetate","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","2","HB2584","Han, Qiuxia; Li, Jie","4-(4-Aminophenoxy)anilinium 2-hydroxy-2,2-diphenylacetate","Acta Crystallographica Section E","2007","63","11","o4380","o4380","10.1107/S1600536807051057","","","0.71073","MoKα","","0.1332","0.0579","","","0.1271","0.1539","","","","","","0.838","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215968","6.57","0.002","16.055","0.003","9.48","0.002","90","","99.19","0.03","90","","987.1","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrimethamine nicotinate","Pyrimethaminium nicotinate monohydrate","","- C18 H20 Cl N5 O3 -","- C18 H20 Cl N5 O3 -","- C36 H40 Cl2 N10 O6 -","2","1","HB2608","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Pyrimethaminium nicotinate monohydrate","Acta Crystallographica Section E","2007","63","11","o4452","o4452","10.1107/S1600536807052397","","","0.71069","MoKα","","0.2305","0.056","","","0.0361","0.0555","","","","","","0.846","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2215979","9.5105","0.0011","11.3594","0.0013","10.4939","0.0012","90","","91.305","0.002","90","","1133.4","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[N-(5-Chloro-2-oxidobenzylidene)-L-valinato-κ^3^O,N,O']diphenyltin(IV)","","- C24 H22 Cl N O3 Sn -","- C24 H22 Cl N O3 Sn -","- C48 H44 Cl2 N2 O6 Sn2 -","2","1","HG2308","Dong, Yan","[N-(5-Chloro-2-oxidobenzylidene)-L-valinato-κ^3^O,N,O']diphenyltin(IV)","Acta Crystallographica Section E","2007","63","11","m2689","m2689","10.1107/S1600536807048647","","","0.71073","MoKα","","0.0344","0.0313","","","0.0653","0.0667","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216011","6.357","0.001","19.668","0.004","9.766","0.002","90","","90.11","0.03","90","","1221","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aquabis(4-formylbenzoato)-κ^2^O,O';κO- (1,10-phenanthroline-κ^2^N,N')cadmium(II)","","- C28 H20 Cd N2 O7 -","- C28 H20 Cd N2 O7 -","- C56 H40 Cd2 N4 O14 -","2","1","IM2036","Zhao-Peng Deng; Shan Gao; Li-Hua Huo; Hui Zhao","Aquabis(4-formylbenzoato)-κ^2^O,O';κO-(1,10-phenanthroline-κ^2^N,N')cadmium(II)","Acta Crystallographica Section E","2007","63","11","m2694","m2694","10.1107/S1600536807048787","","","0.71073","MoKα","","0.0277","0.0253","","","0.0617","0.0628","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216017","9.927","0.004","8.389","0.004","10.883","0.005","90","","112.66","0.008","90","","836.3","0.7","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-2-[2-(Cyanoimino)-1,3-thiazolidin-1-yl]-1,3-diphenylprop-2-en-1-one","","- C19 H15 N3 O S -","- C19 H15 N3 O S -","- C38 H30 N6 O2 S2 -","2","1","IS2212","Dai, Hong; Zhang, Xin; Qin, Xue; Qin, Zheng-Fang; Fang, Jian-Xin","(Z)-2-[2-(Cyanoimino)-1,3-thiazolidin-1-yl]-1,3-diphenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","11","o4283","o4283","10.1107/S1600536807048696","","","0.71073","MoKα","","0.0807","0.0438","","","0.0909","0.108","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216046","10.6093","0.0007","17.6593","0.0012","14.0164","0.0008","90","","112.238","0.001","90","","2430.7","0.3","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2',2'',2'''-(3,6-Dioxaoctane-1,8-diyldinitrilo)tetrabenzimidazolium tetrakis(perchlorate) dihydrate","","- C38 H48 Cl4 N10 O20 -","- C38 H48 Cl4 N10 O20 -","- C76 H96 Cl8 N20 O40 -","2","1","LH2522","Zhou, Chun-Shan; Pei, Ya-Mei; Meng, Xiang-Gao","2,2',2'',2'''-(3,6-Dioxaoctane-1,8-diyldinitrilo)tetrabenzimidazolium tetrakis(perchlorate) dihydrate","Acta Crystallographica Section E","2007","63","11","o4334","o4335","10.1107/S160053680704980X","","","0.71073","Mokα","","0.1358","0.0778","","","0.1879","0.2249","","","","","","0.878","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216061","6.5858","0.0005","7.1397","0.0005","19.996","0.001","90","","94.78","0.001","90","","936.95","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-O-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C42 H50 N2 O4 S2 -","2","1","LX2021","Jacobs, Tia; Bredenkamp, Martin W.","(S)-O-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate","Acta Crystallographica Section E","2007","63","11","o4444","o4444","10.1107/S160053680705249X","","","0.71073","MoKα","","0.0423","0.0415","","","0.1077","0.109","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216234","6.8035","0.0007","12.8775","0.0014","17.8597","0.0018","90","","94.909","0.003","90","","1559","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Benzyl oleanolate","","- C37 H54 O3 -","- C37 H54 O3 -","- C74 H108 O6 -","2","1","AT2498","Jun-Yi Hu; Ying-Qian Xu; Yong Ju","Benzyl oleanolate","Acta Crystallographica Section E","2007","63","12","o4882","o4882","10.1107/S1600536807060655","","","0.7107","MoKα","","0.05","0.0447","","","0.0973","0.1001","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216273","6.3634","0.0013","12.608","0.003","8.1146","0.0016","90","","95.59","0.03","90","","647.9","0.2","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a- octahydroazuleno[6,5-b]furan-2,5-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","BT2557","Shou-Cheng Pu; Chun-Ling Tu; Yi Deng","4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione","Acta Crystallographica Section E","2007","63","12","o4543","o4543","10.1107/S1600536807054116","","","0.71073","MoKα","","0.0333","0.0304","","","0.0755","0.0769","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216274","7.5329","0.0005","14.604","0.0001","7.9904","0.0005","90","","95.951","0.006","90","","874.29","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-(Diethylamino)-2-[(Z)-(1-naphthylimino)methyl]phenol","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C42 H44 N4 O2 -","2","1","BT2558","Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.","5-(Diethylamino)-2-[(Z)-(1-naphthylimino)methyl]phenol","Acta Crystallographica Section E","2007","63","12","o4588","o4589","10.1107/S1600536807053135","","","0.71073","MoKα","","0.0871","0.0465","","","0.1119","0.1294","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216372","6.4822","0.0008","7.4181","0.001","13.1433","0.0015","90","","101.425","0.002","90","","619.48","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(2-thienylmethylene)ethane-1,2-diamine","","- C12 H12 N2 S2 -","- C12 H12 N2 S2 -","- C24 H24 N4 S4 -","2","1","CI2514","Da-Qi Wang; Qiang Wang; Li-Jun Xiao","N,N'-Bis(2-thienylmethylene)ethane-1,2-diamine","Acta Crystallographica Section E","2007","63","12","o4865","o4865","10.1107/S1600536807060308","","","0.71073","MoKα","","0.0762","0.044","","","0.0705","0.0809","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216386","10.091","0.002","6.9995","0.0014","12.47","0.003","90","","101.59","0.03","90","","862.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","catena-Poly[(m/^2^-2-phenylimidazolato-N,N')-silver(I)]","","- C9 H7 Ag N2 -","- C9 H7 Ag N2 -","- C36 H28 Ag4 N8 -","4","2","CV2336","Gao, Qian; Feng, Jian-Bo; Zhang, Chao-Yan; Xie, Ya-Bo","catena-Poly[silver(I)-μ-2-phenylimidazolato-κ^2^N:N']","Acta Crystallographica Section E","2007","63","12","m2952","m2952","10.1107/S160053680705533X","","","0.71073","MoKα","","0.0553","0.0412","","","0.064","0.0675","","","","","","0.997","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216413","11.4729","0.0011","5.9019","0.0004","12.5093","0.001","90","","107.81","0.01","90","","806.44","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-Benzyl 4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","DN2262","Zhang, Xing-Hua; Lin, Kan; Zhao, Yu-Fen","(4S)-Benzyl 4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate","Acta Crystallographica Section E","2007","63","12","o4767","o4767","10.1107/S1600536807055365","","","0.71073","MoKα","","0.0453","0.0309","","","0.0659","0.0715","","","","","","0.946","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216423","6.395","0.0013","5.079","0.001","19.625","0.004","90","","98.65","0.03","90","","630.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]phenol","","- C14 H9 Br N2 O2 -","- C14 H9 Br N2 O2 -","- C28 H18 Br2 N4 O4 -","2","1","DN2275","Li, Hai-lin; Wang, Hai-bo; Yin, Jun; Kang, Si-shun; Zeng, Hai-su","2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]phenol","Acta Crystallographica Section E","2007","63","12","o4697","o4697","10.1107/S1600536807057418","","","0.71073","MoKα","","0.085","0.0473","","","0.098","0.1138","","","","","","0.943","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216470","6.1995","0.0019","9.416","0.003","11.714","0.003","90","","98.328","0.005","90","","676.6","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-{2-[Methyl(2-pyridyl)amino]ethoxy}benzaldehyde","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","1","HB2594","Hou, Jingli; Zheng, Chao; Li, Hui; Zhang, Xinge; Li, Chaoxing","4-{2-[Methyl(2-pyridyl)amino]ethoxy}benzaldehyde","Acta Crystallographica Section E","2007","63","12","o4875","o4875","10.1107/S1600536807051951","","","0.71073","MoKα","","0.0665","0.0351","","","0.0833","0.1007","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216595","6.5158","0.0009","20.592","0.003","6.5877","0.0009","90","","107.837","0.002","90","","841.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,5-Dihydroxy-15β,16β-methylene-5β-androst-6-en-17-one","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","IS2235","Wei Zhou; Guang-Xiang Zhong; Wei-Xiao Hu; Chun-Nian Xia","3β,5-Dihydroxy-15β,16β-methylene-5β-androst-6-en-17-one","Acta Crystallographica Section E","2007","63","12","o4707","o4707","10.1107/S1600536807057315","","","0.71073","MoKα","","0.0415","0.0388","","","0.1073","0.1099","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216631","14.436","0.003","5.385","0.0011","15.061","0.003","90","","116.25","0.03","90","","1050.1","0.5","103","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Di-p-toluoyl-1,2-dideoxy-β-1-(imidazol-1-yl)-D-ribofuranose","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","LH2551","Düpre, Nicole; Shen, Wei-Zheng; Sanz Miguel, Pablo J.; Müller, Jens","3,5-Di-p-toluoyl-1,2-dideoxy-β-1-(imidazol-1-yl)-D-ribofuranose","Acta Crystallographica Section E","2007","63","12","o4693","o4693","10.1107/S1600536807056760","","","0.71073","MoKα","","","0.0596","","","","0.1373","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216697","15.444","0.0003","11.777","0.0002","27.2069","0.0005","90","","100.482","0.001","90","","4865.92","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Dibutylbis[4-(methylamino)benzoato-κ^2^O,O']tin(IV)","","- C24 H34 N2 O4 Sn -","- C24 H34 N2 O4 Sn -","- C192 H272 N16 O32 Sn8 -","8","4","NG2382","Yip Foo Win; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Tengku Sifzizul Tengku-Muhammad","Dibutylbis[4-(methylamino)benzoato-κ^2^O,O']tin(IV)","Acta Crystallographica Section E","2007","63","12","m3199","m3200","10.1107/S1600536807062411","","","0.71073","MoKα","","0.0355","0.0293","","","0.0569","0.0603","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216759","7.278","0.0002","14.3556","0.0003","10.7002","0.0002","90","","99.433","0.001","90","","1102.84","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[3-(1H-Indol-2-yl)-2-furyl]ethanone","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","2","SI2046","Fernandes, Manuel A.; de Koning, Charles B.; Perry, Christopher B.; Pelly, Stephen C.","1-[3-(1H-Indol-2-yl)-2-furyl]ethanone","Acta Crystallographica Section E","2007","63","12","o4695","o4696","10.1107/S1600536807057431","","","0.71073","MoKα","","0.0511","0.0364","","","0.0922","0.0999","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216779","6.827","0.005","20.732","0.009","14.071","0.008","90","","93.68","0.02","90","","1987","2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,5R)-2,2-Dimethyl-4,5-bis[2-(3-methyl-2-thioxo-2,3-dihydro-1H- imidazol-2-yl)ethyl]-1,3-dioxolane","","- C17 H26 N4 O2 S2 -","- C17 H26 N4 O2 S2 -","- C68 H104 N16 O8 S8 -","4","2","SJ2406","Marshall, Colin; Harrison, William T. A.","(4R,5R)-2,2-Dimethyl-4,5-bis[2-(3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-2-yl)ethyl]-1,3-dioxolane","Acta Crystallographica Section E","2007","63","12","o4878","o4878","10.1107/S160053680706148X","","","0.71073","MoKα","","0.2048","0.0968","","","0.2032","0.2405","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216815","6.5998","0.0013","7.6711","0.0016","26.547","0.005","90","","91.318","0.007","90","","1343.7","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-Hydroxy-4',5'-methylenedioxypterocarpan hemihydrate","","- C16 H13 O5.5 -","- C16 H13 O5.5 -","- C64 H52 O22 -","4","2","TK2211","Qing Chen; Qi-Long Zhang; Yun-Qian Zhang; Bi-Xue Zhu; Xiao-Sheng Yang","7-Hydroxy-4',5'-methylenedioxypterocarpan hemihydrate","Acta Crystallographica Section E","2007","63","12","o4893","o4893","10.1107/S160053680705965X","","","0.71073","MoKα","","0.034","0.031","","","0.076","0.078","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216849","11.9413","0.0009","7.0455","0.0005","14.2092","0.0009","90","","109.904","0.002","90","","1124.04","0.14","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(4-formylbenzoato-κO)bis(1H-imidazole-κN^3^)zinc(II)","","- C22 H18 N4 O6 Zn -","- C22 H18 N4 O6 Zn -","- C44 H36 N8 O12 Zn2 -","2","1","XU2375","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Bis(4-formylbenzoato-κO)bis(1H-imidazole-κN^3^)zinc(II)","Acta Crystallographica Section E","2007","63","12","m3113","m3113","10.1107/S1600536807059296","","","0.71073","MoKα","","0.0936","0.0399","","","0.0891","0.1499","","","","","","1.134","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216855","7.414","0.0004","21.259","0.001","13.0036","0.0007","90","","92.595","0.003","90","","2047.45","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Oxoandrost-4-en-17β-yl 1H-imidazole-1-carboxylate","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C92 H120 N8 O12 -","4","2","ZL2077","Ramos Silva, Manuela; Matos Beja, Ana; Moreira, Vânia M.; Santos, Rita C.; Salvador, Jorge A. R.","3-Oxoandrost-4-en-17β-yl 1H-imidazole-1-carboxylate","Acta Crystallographica Section E","2007","63","12","o4824","o4824","10.1107/S1600536807057625","","","0.71073","MoKα","","0.0997","0.0586","","","0.1525","0.185","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216863","9.6466","0.0013","18.968","0.003","9.491","0.0012","90","","89.989","0.003","90","","1736.6","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Gibberellin A4 monohydrate","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","2","AT2480","Yun-Fen Hua; Hai Yan Li; Lin Lin Ma; Xing Zhang; Zhi Min Jin","Gibberellin A4 monohydrate","Acta Crystallographica Section E","2008","64","1","o30","o30","10.1107/S160053680706062X","","","0.7107","MoKα","","0.0806","0.0769","","","0.2052","0.2073","","","","","","1.129","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216901","10.462","0.002","8.6043","0.0017","20.249","0.004","90","","103.19","0.03","90","","1774.7","0.6","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,5S)-2,2-Dimethyl-4,5-bis(3-methyl-2-thioxo-2,3-dihydro-1H-\ imidazol-1-ylmethyl)-1,3-dioxolane","","- C15 H22 N4 O2 S2 -","- C15 H22 N4 O2 S2 -","- C60 H88 N16 O8 S8 -","4","2","BI2249","Marshall, Colin; Harrison, William T. A.","(4S,5S)-2,2-Dimethyl-4,5-bis(3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-ylmethyl)-1,3-dioxolane","Acta Crystallographica Section E","2008","64","1","o58","o58","10.1107/S1600536807055948","","","0.71073","MoKα","","0.0465","0.0407","","","0.1012","0.105","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216941","6.4432","0.0004","57.477","0.008","7.2226","0.0006","90","","114.725","0.005","90","","2429.6","0.4","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Hydroxy-4,6a,6b,9,9,12a,14b-heptamethylperhydropicen-3-one hemihydrate","","- C29 H49 O2.5 -","- C29 H49 O2.5 -","- C116 H196 O10 -","4","2","BT2638","Hussain, Altaf; Siddiqui, Hamid Latif; Zia-ur-Rehman, Muhammad; Elsegood, Mark R. J.; M. Khan, Khalid","4-Hydroxy-4,6a,6b,9,9,12a,14b-heptamethylperhydropicen-3-one hemihydrate isolated from Adiantum incisum","Acta Crystallographica Section E","2008","64","1","o264","o264","10.1107/S1600536807064021","","","0.71073","MoKα","","0.1354","0.0711","","","0.1224","0.1467","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216975","5.7881","0.0002","16.7077","0.0004","17.8572","0.0005","90","","99.1141","0.0008","90","","1705.09","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-Dimethylamino-2-{(4S,5R)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2- dimethyl-1,3-dioxolan-4-yl}-2-hydroxypropanoic acid","","- C15 H27 N O7 -","- C15 H27 N O7 -","- C60 H108 N4 O28 -","4","2","CF2175","Jenkinson, Sarah F.; Hotchkiss, David J.; Cowley, Andrew R.; Fleet, George W. J.; Watkin, David J.","(S)-3-Dimethylamino-2-{(4S,5R)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-hydroxypropanoic acid","Acta Crystallographica Section E","2008","64","1","o294","o295","10.1107/S1600536807066676","","","0.71073","MoKα","","0.0403","0.0324","","0.044","0.035","0.0331","","","","","","1.0933","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216980","13.302","0.006","12.551","0.009","22.65","0.011","90","","105.55","0.04","90","","3643","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S,6S,10R)-10-(2,4-Dichlorophenyl)-14-[(E)-(2,4- dichlorophenyl)methylidene]-3,9-diphenyl-12-[(R)-1-phenylethyl]- 1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene","","- C41 H31 Cl4 N3 O3 -","- C41 H31 Cl4 N3 O3 -","- C164 H124 Cl16 N12 O12 -","4","2","CI2522","S. Mahalakshmi; R. Suresh Kumar; S. Perumal; V. Sivakumar; J. Suresh","(5S,6S,10R)-10-(2,4-Dichlorophenyl)-14-[(E)-(2,4-dichlorophenyl)methylidene]-3,9-diphenyl-12-[(R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene","Acta Crystallographica Section E","2008","64","1","o199","o200","10.1107/S1600536807063477","","","0.71073","MoKα","","0.1827","0.0438","","","0.0676","0.0957","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217062","9.4092","0.0014","13.4176","0.0019","12.6903","0.0018","90","","91.6","0.002","90","","1601.5","0.4","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-(Hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-5H- furo[3,2-g]chromen-5-one methanol hemisolvate","","- C16.5 H20 O6.5 -","- C16.5 H20 O6.5 -","- C66 H80 O26 -","4","2","GG2062","Ru Li; Pu Liu; Yu-Mei Gao; Lin-Lin Qin; Hua-Ning Yu","7-(Hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-5H-furo[3,2-g]chromen-5-one methanol hemisolvate","Acta Crystallographica Section E","2008","64","1","o202","o202","10.1107/S1600536807063763","","","0.71073","MoKα","","0.0614","0.0386","","","0.0937","0.1079","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217065","6.647","0.003","6.976","0.003","16.608","0.007","90","","93.037","0.007","90","","769","0.6","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium (1R,2S,5S)-2-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate pentahydrate","","- C10 H25 Na O8 -","- C10 H25 Na O8 -","- C20 H50 Na2 O16 -","2","1","GK2115","Shi-ying Ma; Ze-Bao Zheng; Ji-Kun Li","Sodium (1R,2S,5S)-2-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate pentahydrate","Acta Crystallographica Section E","2008","64","1","m92","m92","10.1107/S1600536807063775","","","0.71073","MoKα","","0.0487","0.0416","","","0.1013","0.1065","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217093","11.1035","0.0002","8.1564","0.0002","16.8881","0.0003","90","","103.429","0.001","90","","1487.65","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,3'-Diphenyl-1,1'-[2,2'-Oxybis(2,1-phenylene)]diurea N,N-dimethylformamide disolvate","","- C32 H36 N6 O5 -","- C32 H36 N6 O5 -","- C64 H72 N12 O10 -","2","1","HB2678","Charalambides, Yiannis C.; Moratti, Stephen C.; Simpson, Jim","3,3'-Diphenyl-1,1'-[2,2'-oxybis(2,1-phenylene)]diurea N,N-dimethylformamide disolvate","Acta Crystallographica Section E","2008","64","1","o305","o306","10.1107/S1600536807066548","","","0.71073","MoKα","","0.0569","0.0514","","","0.1353","0.1404","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217141","11.302","0.002","7.724","0.001","12.648","0.002","90","","111.77","0.01","90","","1025.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethylenediammonium bis(p-methylbenzenesulfonate) monohydrate","","- C16 H26 N2 O7 S2 -","- C16 H26 N2 O7 S2 -","- C32 H52 N4 O14 S4 -","2","1","IS2252","Chao Shen-Tu; Lin-Lin Ma; Wei Xu; Ying Chen; Zhi-Min Jin","Redetermination of ethylenediammonium bis(p-methylbenzenesulfonate) monohydrate","Acta Crystallographica Section E","2008","64","1","o346","o346","10.1107/S1600536807066573","","","0.71073","MoKα","","0.0601","0.0525","","","0.1459","0.1512","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217167","7.6345","0.0016","7.7084","0.0016","12.071","0.003","90","","93.17","0.01","90","","709.3","0.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2-(Iodomethyl)-1-tosylpyrrolidine","","- C12 H16 I N O2 S -","- C12 H16 I N O2 S -","- C24 H32 I2 N2 O4 S2 -","2","1","LH2560","Ya-Wen Wang; Yu Peng","(S)-2-(Iodomethyl)-1-tosylpyrrolidine","Acta Crystallographica Section E","2008","64","1","o56","o56","10.1107/S1600536807059223","","","0.71073","MoKα","","0.0562","0.037","","","0.0797","0.092","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217199","11.7508","0.0002","20.5564","0.0003","16.4633","0.0002","90","","105.87","0.0016","90","","3825.2","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-O-benzoyl-4-nitrophenyl-1-thio-α-D-mannopyranoside‒ dichloromethane‒diethyl ether (1/0.53/0.38)","","- C41.03 H33.44 Cl0.53 N O11.19 S -","- C41.031 H33.444 Cl0.534 N O11.191 S -","- C164.124 H133.776 Cl2.136 N4 O44.764 S4 -","4","2","LW2055","Drouin, Ludovic; Cowley, Andrew R.; Fairbanks, Antony J.; Thompson, Amber L.","2,3,4,6-Tetra-O-benzoyl-4-nitrophenyl-1-thio-α-D-mannopyranoside‒dichloromethane‒diethyl ether mixed solvate (1/0.53/0.38)","Acta Crystallographica Section E","2008","64","1","o236","o236","10.1107/S1600536807064951","","","0.71073","MoKα","","0.0554","0.0465","","0.0625","0.0559","0.0559","","","","","","1.0941","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2217218","9.8557","0.0014","16.385","0.002","16.381","0.002","90","","90.216","0.006","90","","2645.3","0.6","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-Carbonylchloridobis(ethyldiphenylphosphine-κP)rhodium(I)","","- C29 H30 Cl O P2 Rh -","- C29 H30 Cl O P2 Rh -","- C116 H120 Cl4 O4 P8 Rh4 -","4","2","NG2391","Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.","trans-Carbonylchloridobis(ethyldiphenylphosphine-κP)rhodium(I)","Acta Crystallographica Section E","2008","64","1","m179","m180","10.1107/S1600536807065877","","","0.71073","MoKα","","0.0711","0.0374","","","0.0685","0.08","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217236","5.2332","0.0001","10.6602","0.0002","13.6374","0.0002","90","","98.092","0.001","90","","753.21","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Bromophenyl)-5,7-dimethyl-3-methylsulfanyl-1-benzofuran","","- C17 H15 Br O S -","- C17 H15 Br O S -","- C34 H30 Br2 O2 S2 -","2","1","OM2192","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(4-Bromophenyl)-5,7-dimethyl-3-methylsulfanyl-1-benzofuran","Acta Crystallographica Section E","2008","64","1","o148","o148","10.1107/S1600536807063052","","","0.71073","MoKα","","0.0341","0.0263","","","0.0627","0.0662","","","","","","0.874","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217240","5.9107","0.0013","8.826","0.002","11.903","0.003","90","","93.787","0.019","90","","619.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[aquacopper(II)]-μ-[(S)-N-(2-hydroxybenzyl)- L-aspartato]]","","- C11 H13 Cu N O6 -","- C11 H13 Cu N O6 -","- C22 H26 Cu2 N2 O12 -","2","1","PK2047","Zhang, Lei; Sun, Bai-Wang","catena-Poly[[aquacopper(II)]-μ-[(S)-N-(2-hydroxybenzyl)-L-aspartato]]","Acta Crystallographica Section E","2008","64","1","m143","m143","10.1107/S1600536807046922","","","0.71073","MoKα","","0.0499","0.0411","","","0.0762","0.0788","","","","","","0.994","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217293","7.0569","0.0006","17.4745","0.0014","15.943","0.0013","90","","100.68","0.001","90","","1932","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hexaaquacadmium(II) bis{[N-(2-oxidobenzylidene)glycyl-L-leucinato]cuprate(II)} dihydrate","","- C30 H50 Cd Cu2 N4 O16 -","- C30 H50 Cd Cu2 N4 O16 -","- C60 H100 Cd2 Cu4 N8 O32 -","2","1","SI2059","Guolin Zhang; Lihua Ye; Yanyan Zhang; Wenlong Liu","Hexaaquacadmium(II) bis{[N-(2-oxidobenzylidene)glycyl-L-leucinato]cuprate(II)} dihydrate","Acta Crystallographica Section E","2008","64","1","m94","m95","10.1107/S1600536807063635","","","0.71073","MoKα","","0.028","0.0244","","","0.0524","0.0541","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217298","8.9172","0.0009","11.0318","0.0012","8.9616","0.0009","90","","116.354","0.006","90","","789.95","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aS,5R,7R,8S,8aR)-8-(1,3-Dioxolan-2-yl)-\ 7,8-dimethyl-5-(1-methylethenyl)perhydronaphthalen-2-one","","- C18 H28 O3 -","- C18 H28 O3 -","- C36 H56 O6 -","2","1","SI2067","Siegler, Maxime A.; Kooijman, Huub; Spek, Anthony L.","(4aS,5R,7R,8S,8aR)-8-(1,3-Dioxolan-2-yl)-7,8-dimethyl-5-(1-methylethenyl)perhydronaphthalen-2-one","Acta Crystallographica Section E","2008","64","1","o337","o337","10.1107/S1600536807067335","","","0.71073","MoKα","","0.0291","0.0277","","","0.0726","0.0735","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217379","9.18","0.003","5.7585","0.0018","17.32","0.005","90","","97.707","0.004","90","","907.3","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(1,3-Benzodioxol-5-yl)-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","XU2388","Yang, Yu-Feng; Yang, Liang-Ru; Yin, Zhi-Gang; Qian, Heng-Yu","3-(1,3-Benzodioxol-5-yl)-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine","Acta Crystallographica Section E","2008","64","1","o147","o147","10.1107/S1600536807063192","","","0.71073","MoKα","","0.0781","0.0632","","","0.1295","0.1339","","","","","","1.182","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217380","6.3819","0.0007","9.3139","0.001","10.3673","0.0011","90","","103.621","0.001","90","","598.9","0.11","187","2","187","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(11aS)-8-Hydroxy-7-methoxy-2,3,5,10,11,11a-hexahydro-1H- pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","XU2391","Dong-Mei Zhao; Chao Ma; Yu Sha; Jing-Hong Liu; Mao-Sheng Cheng","(11aS)-8-Hydroxy-7-methoxy-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione","Acta Crystallographica Section E","2008","64","1","o266","o266","10.1107/S1600536807066056","","","0.71073","MoKα","","0.0302","0.0297","","","0.0729","0.0735","","","","","","1.118","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217422","6.8522","0.0011","17.747","0.003","13.729","0.002","90","","99.006","0.002","90","","1648.9","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R,3R,4R,5S)-2,3-Bis[(2S')-2-acetoxy-2-phenylacetoxy]-4-azido-1-[(2,4- dinitrophenyl)hydrazonomethyl]bicyclo[3.1.0]hexane","","- C33 H29 N7 O12 -","- C33 H29 N7 O12 -","- C66 H58 N14 O24 -","2","1","BQ2060","Li, Jing; Lowary, Todd L.; McDonald, Robert","(1R,2R,3R,4R,5S)-2,3-Bis[(2S')-2-acetoxy-2-phenylacetoxy]-4-azido-1-[(2,4-dinitrophenyl)hydrazonomethyl]bicyclo[3.1.0]hexane","Acta Crystallographica Section E","2008","64","2","o459","o460","10.1107/S1600536808000718","","","0.71073","MoKα","","0.0595","0.0432","","","0.0958","0.1041","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217433","10.5371","0.0015","6.8681","0.0008","19.135","0.003","90","","101.543","0.007","90","","1356.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Nitrophenyl α-L-rhamnopyranoside hemihydrate","","- C12 H16 N O7.5 -","- C12 H16 N O7.5 -","- C48 H64 N4 O30 -","4","2","BV2086","Peltier, Pauline; Daniellou, Richard; Roisnel, Thierry; Nugier-Chauvin, Caroline; Ferrières, Vincent","4-Nitrophenyl α-L-rhamnopyranoside hemihydrate","Acta Crystallographica Section E","2008","64","2","o379","o379","10.1107/S1600536807068195","","","0.71073","MoKα","","0.0344","0.0317","","","0.0777","0.0801","","","","","","1.039","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217441","5.6246","0.0006","8.8923","0.0006","15.0842","0.001","90","","99.53","0.007","90","","744.03","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methyl-2-(4-methylphenyl)-4-morpholinopyridazine-3,6(1H,2H)-dione","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C32 H38 N6 O6 -","2","1","CF2177","Gzella, Andrzej; Melzer, Ewa; Kaczmarek, Michał S.; Woźniak, Zenon","1-Methyl-2-(4-methylphenyl)-4-morpholinopyridazine-3,6(1H,2H)-dione","Acta Crystallographica Section E","2008","64","2","o435","o435","10.1107/S1600536808000111","","","1.54178","CuKα","","0.03","0.029","","","0.081","0.082","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217464","10.5509","0.0005","6.1755","0.0003","10.8474","0.0006","90","","107.483","0.0014","90","","674.14","0.06","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-Amino-1-(pyrrolidinium-2-ylmethyl)pyridinium dibromide","","- C10 H17 Br2 N3 -","- C10 H17 Br2 N3 -","- C20 H34 Br4 N6 -","2","1","CS2067","Yifeng Wang; Shuai Zhang; Aibao Xia; Shuping Luo; Danqian Xu","(S)-2-Amino-1-(pyrrolidinium-2-ylmethyl)pyridinium dibromide","Acta Crystallographica Section E","2008","64","2","o473","o473","10.1107/S1600536808001128","","","0.71075","MoKα","","","0.034","","","","0.0942","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217472","9.5295","0.0019","9.4821","0.0019","15.047","0.003","90","","98.36","0.03","90","","1345.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","rupestonic acid","(5R,8R)-2-(3,8-Dimethyl-2-oxo-1,2,4,5,6,7,8,8a- octahydroazulen-5-yl)acrylic acid","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","CV2378","Haji Akber Aisa; Jian-Ping Yong; Qiao-Ying Lv; Tao Wu","(5R,8R)-2-(3,8-Dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl)acrylic acid (rupestonic acid)","Acta Crystallographica Section E","2008","64","2","o479","o479","10.1107/S1600536808001402","","","0.71073","MoKα","","0.1016","0.0533","","","0.0971","0.1109","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217480","5.275","0.001","9.541","0.001","10.229","0.001","90","","101.8","0.05","90","","503.93","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,2,3,4-Tetrahydroisoquinoline-2-sulfonamide","","- C9 H12 N2 O2 S -","- C9 H12 N2 O2 S -","- C18 H24 N4 O4 S2 -","2","1","DN2304","Radia Bouasla; Malika Berredjem; Nour-Eddine Aouf; Carole Barbey","1,2,3,4-Tetrahydroisoquinoline-2-sulfonamide","Acta Crystallographica Section E","2008","64","2","o432","o432","10.1107/S1600536807068158","","","0.7107","MoKα","","0.0324","0.03","","","0.0854","0.0872","","","","","","1.131","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217501","6.017","0.0002","5.065","0.0001","18.896","0.0005","90","","92.538","0.001","90","","575.31","0.03","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Nitrophenyl N-phenylcarbamate","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C26 H20 N4 O8 -","2","1","FL2180","Xu, Yun-Hua; Qu, Fanqi","4-Nitrophenyl N-phenylcarbamate","Acta Crystallographica Section E","2008","64","2","o404","o404","10.1107/S1600536807068274","","","0.71073","MoKα","","0.0421","0.0375","","","0.0997","0.1036","","","","","","1.137","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217511","5.6985","0.0002","23.543","0.0008","8.5007","0.0003","90","","91.63","0.002","90","","1139.99","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Lysinium trifluoroacetate","","- C8 H15 F3 N2 O4 -","- C8 H15 F3 N2 O4 -","- C32 H60 F12 N8 O16 -","4","2","GW2034","Sun, Zhi Hua; Fan, Jian Dong; Zhang, Guang Hui; Wang, Xin Qiang; Xu, Dong","L-Lysinium trifluoroacetate","Acta Crystallographica Section E","2008","64","2","o393","o394","10.1107/S1600536807068791","","","0.71073","MoKα","","0.048","0.0442","","","0.1185","0.1222","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217537","7.812","0.003","5.5115","0.0018","14.628","0.005","90","","103.876","0.004","90","","611.4","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1,3-Dithian-2-ylidene)-1-phenylbutane-1,3-dione","","- C13 H12 O2 S2 -","- C13 H12 O2 S2 -","- C26 H24 O4 S4 -","2","1","HG2371","Lan-cui Zhang; Na Li; Xiao-Hui Li; Cui-ying Huang; Guang-hua Zhou","2-(1,3-Dithian-2-ylidene)-1-phenylbutane-1,3-dione","Acta Crystallographica Section E","2008","64","2","o534","o534","10.1107/S160053680800264X","","","0.71073","MoKα","","0.0301","0.0288","","","0.0718","0.0733","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217619","14.4638","0.0002","19.7448","0.0002","25.0638","0.0003","90","","99.2051","0.0014","90","","7065.66","0.15","120","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(μ-5-Carboxybenzene-1,3-dicarboxylato-κ^2^O^1^:O^3^)bis[bis(2,2'-bipyridine- κ^2^N,N')copper(II)] 5-carboxybenzene-1,3-dicarboxylate 2,2'-bipyridine solvate tridecahydrate","","- C68 H74 Cu2 N10 O25 -","- C68 H70.5 Cu2 N10 O25 -","- C272 H282 Cu8 N40 O100 -","4","2","PK2079","Marek, Jaromír; Trávníček, Zdeněk","(μ-5-Carboxybenzene-1,3-dicarboxylato-κ^2^O^1^:O^3^)bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] 5-carboxybenzene-1,3-dicarboxylate 2,2'-bipyridine solvate tridecahydrate","Acta Crystallographica Section E","2008","64","2","m384","m385","10.1107/S1600536808001852","","","0.71073","MoKα","","0.0419","0.0343","","","0.0813","0.0855","","","","","","0.987","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217625","6.1923","0.0002","15.3873","0.0005","11.378","0.0003","90","","96.661","0.001","90","","1076.81","0.06","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclo(L-tyrosyl-L-tryptophanyl) dimethylformamide solvate","(3S,6S)-3-(4-Hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione dimethylformamide solvate","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C46 H52 N8 O8 -","2","1","PV2058","Görbitz, Carl Henrik; Hartviksen, Lars Male","Cyclo(L-tyrosyl-L-tryptophanyl) dimethylformamide solvate","Acta Crystallographica Section E","2008","64","2","o436","o436","10.1107/S1600536808000640","","","0.71073","MoKα","","0.0526","0.0453","","","0.115","0.122","","","","","","1.149","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217672","4.8965","0.00018","4.45921","0.00013","14.2167","0.0002","90","","92.341","0.002","90","","310.156","0.015","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-iodouracil","2,4-dihydroxy-5-iodopyrimidine","","- C4 H3 I N2 O2 -","- C4 H3 I N2 O2 -","- C8 H6 I2 N4 O4 -","2","1","TK2237","Gustavo Portalone","Redetermination of 5-iodouracil","Acta Crystallographica Section E","2008","64","2","o365","o365","10.1107/S1600536807068043","","","0.71069","MoKα","","0.029","0.025","","","0.068","0.071","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217733","10.7154","0.0002","22.8873","0.0003","19.9338","0.0002","90","","96.906","0.008","90","","4853.23","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis[(tris(tetraethylammonium)Hexacosaoxaoctamolybdate ammonium]","Ammonium tris(tetraethylammonium) hexacosaoxidooctamolybdate","","- C24 H64 Mo8 N4 O26 -","- C24 H64 Mo8 N4 O26 -","- C96 H256 Mo32 N16 O104 -","4","2","BT2676","Zebiri, Ikram; Bencharif, Le\?ïla; Direm, Amani; Bencharif, Mustapha; Benali-Cherif, Nourredine","Ammonium tris(tetraethylammonium) hexacosaoxidooctamolybdate","Acta Crystallographica Section E","2008","64","3","m474","m475","10.1107/S1600536808004182","","","0.71073","MoKα","","0.0753","0.048","","","0.1092","0.1238","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217753","11.4732","0.0002","19.1377","0.0005","12.0169","0.0002","90","","90.832","0.002","90","","2638.28","0.09","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","μ~3~-Carbonato-κ^3^O:O':O''-tris{(η^6^- benzene)[(R)-1-(1-aminoethyl)naphthyl- κ^2^C^2^,N]ruthenium(II)} hexafluoridophosphate dichloromethane solvate","","- C56 H56 Cl2 F6 N3 O3 P Ru3 -","- C56 H56 Cl2 F6 N3 O3 P Ru3 -","- C112 H112 Cl4 F12 N6 O6 P2 Ru6 -","2","1","ER2047","Sortais, Jean-Baptiste; Brelot, Lydia; Pfeffer, Michel; Barloy, Laurent","μ~3~-Carbonato-κ^3^O:O':O''-tris{(η^6^-benzene)[(R)-1-(1-aminoethyl)naphthyl-κ^2^C^2^,N]ruthenium(II)} hexafluoridophosphate dichloromethane solvate","Acta Crystallographica Section E","2008","64","3","m483","m484","10.1107/S1600536808003978","","","0.71073","MoKα","","0.0831","0.0522","","","0.1044","0.1319","","","","","","1.064","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217759","9.972","0.002","6.058","0.0012","21.68","0.004","90","","97.19","0.03","90","","1299.4","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-O-acetyl-1-O-(4-methoxycinnamoyl)-β-D-glucopyranose","","- C24 H28 O12 -","- C24 H28 O12 -","- C48 H56 O24 -","2","1","EZ2118","Liu, Yuan-Yuan; Liu, Shan; Chu, Qing-Yan; Zhu, Hong-Jun","2,3,4,6-Tetra-O-acetyl-1-O-(4-methoxycinnamoyl)-β-D-glucopyranose","Acta Crystallographica Section E","2008","64","3","o616","","10.1107/S1600536808004698","","","0.71073","MoKα","","0.118","0.0695","","","0.1629","0.1886","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217760","8.021","0.004","6.069","0.003","11.629","0.005","90","0.04","90.13","0.05","90","0.04","566.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(1H-Imidazol-1-yl)-3-phenylpropanol","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C24 H28 N4 O2 -","2","1","EZ2119","Yang, Zuxing; Wei, Siping; Wang, Wenhai; Chen, Hua; Lan, Jingbo","(S)-2-(1H-Imidazol-1-yl)-3-phenylpropanol","Acta Crystallographica Section E","2008","64","3","o631","","10.1107/S1600536808004868","","","0.71073","MoKα","","0.0611","0.0363","","","0.0819","0.0902","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217774","6.0475","0.0002","20.8957","0.0006","10.2928","0.0003","90","","94.675","0.003","90","","1296.34","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","N-Boc-α-isopropyl-D-serine-β-lactone","tert-Butyl N-[(S)-3-isopropyl-2-oxooxetan-3-yl]carbamate","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","2","GD2021","Sieroń, Lesław; Kudaj, Adam; Olma, Aleksandra; Karolak-Wojciechowska, Janina","tert-Butyl N-[(S)-3-isopropyl-2-oxooxetan-3-yl]carbamate","Acta Crystallographica Section E","2008","64","3","o550","","10.1107/S1600536808003279","","","0.71073","MoKα","","0.0426","0.0353","","","0.0949","0.1032","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217782","10.8307","0.0007","6.9478","0.0005","14.4835","0.0009","90","","94.631","0.003","90","","1086.32","0.12","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(11R)-13-[2-(4-Hydroxyphenyl)ethylamino]-4,5-epoxy-11,13-dihydrocostunolide monohydrate","12-{[2-(4-hydroxyphenyl)ethyl]aminomethyl}-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one monohydrate","","- C23 H33 N O5 -","- C23 H33 N O5 -","- C46 H66 N2 O10 -","2","1","HG2375","Nasim, Shama.; Parkin, Sean; Crooks, Peter A.","(11R)-13-[2-(4-Hydroxyphenyl)ethylamino]-4,5-epoxy-11,13-dihydrocostunolide monohydrate","Acta Crystallographica Section E","2008","64","3","o644","","10.1107/S1600536808003863","","","1.54178","CuKα","","0.0416","0.0405","","","0.1116","0.1128","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217786","6.3468","0.0013","14.45","0.003","8.2175","0.0016","90","","95.19","0.03","90","","750.5","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Hydroxy-2,2,6,6-tetramethylpiperidinium trichloroacetate","","- C11 H20 Cl3 N O3 -","- C11 H20 Cl3 N O3 -","- C22 H40 Cl6 N2 O6 -","2","1","HG2380","Zhang, Peng-Wei; Zhang, Tong-Yun; Zhang, Li; Deng, Yi","4-Hydroxy-2,2,6,6-tetramethylpiperidinium trichloroacetate","Acta Crystallographica Section E","2008","64","3","o641","","10.1107/S1600536808005369","","","0.71073","MoKα","","0.0254","0.0235","","","0.0591","0.0596","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217793","6.312","0.002","11.718","0.003","8.268","0.002","90","","99.47","0.01","90","","603.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","dichlorobis[(S)-lactamide-k^2^O,O']manganese(II)","Dichloridobis[(S)-2-hydroxypropionamide-κ^2^O,O']manganese(II)","","- C6 H14 Cl2 Mn N2 O4 -","- C6 H14 Cl2 Mn N2 O4 -","- C12 H28 Cl4 Mn2 N4 O8 -","2","1","IM2054","Lemoine, Pascale; Viossat, Bernard; Brion, Jean Daniel; Bekaert, Alain","Dichloridobis[(S)-2-hydroxypropionamide-κ^2^O,O']manganese(II)","Acta Crystallographica Section E","2008","64","3","m471","","10.1107/S1600536808004066","","","0.71073","MoKα","","0.0231","0.0223","","","0.0603","0.0607","","","","","","1.106","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217798","10.4091","0.0007","5.7635","0.0004","13.2544","0.001","90","","96.831","0.004","90","","789.52","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-1-Phenylethanaminium (S)-4-chloromandelate","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C32 H36 Cl2 N2 O6 -","2","1","LH2591","He, Quan; Jennings, Michael C.; Rohani, Sohrab; Zhu, Jesse; Gomaa, Hassan","(R)-1-Phenylethanaminium (S)-4-chloromandelate","Acta Crystallographica Section E","2008","64","3","o559","","10.1107/S1600536808003516","","","0.71073","MoKα","","0.0578","0.0444","","","0.1075","0.1153","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217808","4.6556","0.0001","10.9113","0.0002","11.7681","0.0003","90","","90.668","0.001","90","","597.76","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","benznidazole","N-benzyl-2-(2-nitroimidazol-1-yl)acetamide","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C24 H24 N8 O6 -","2","1","OM2213","Soares-Sobrinho, José Lamartine; Cunha-Filho, Marcílio S. S.; Rolim Neto, Pedro José; Torres-Labandeira, Juan J.; Dacunha-Marinho, Bruno","Benznidazole","Acta Crystallographica Section E","2008","64","3","o634","","10.1107/S1600536808005023","","","0.7107","MoKα","","0.0268","0.0248","","","0.0649","0.0662","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217820","4.6739","0.0015","22.535","0.007","8.25","0.003","90","","106.45","0.02","90","","833.4","0.5","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C50 H32 O2 -","2","1","RZ2180","Wang, Yaobing; Wang, Zhongliang; Liang, Tongling; Fu, Hongbing; Yao, Jiannian","1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","3","o630","","10.1107/S1600536807065476","","","0.71073","MoKα","","0.0858","0.0374","","","0.0779","0.0975","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217839","6.757","0.002","7.577","0.002","7.586","0.002","90","","110.949","0.013","90","","362.71","0.18","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-6-methyl-ε-caprolactone","(S)-3-methyl-2-oxepanone","","- C7 H12 O2 -","- C7 H12 O2 -","- C14 H24 O4 -","2","1","TK2248","Siegler, Maxime A.; Kooijman, Huub; Spek, Anthony L.","(S)-6-Methyl-ε-caprolactone","Acta Crystallographica Section E","2008","64","3","o607","","10.1107/S1600536808004583","","","0.71073","MoKα","","0.028","0.027","","","0.071","0.072","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217853","10.6189","0.001","6.9002","0.0007","18.9318","0.0018","90","","100.909","0.002","90","","1362.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","PNP-Rha","4-Nitrophenyl α-L-rhamnopyranoside","","- C12 H16 N O7.5 -","- C12 H16 N O7.5 -","- C48 H64 N4 O30 -","4","2","AV2007","Zhang, Jianbo; Fu, Jie; Chen, Xuan; Gu, Yijun; Tang, Jie","4-Nitrophenyl α-L-rhamnopyranoside hemihydrate","Acta Crystallographica Section E","2008","64","4","o714","","10.1107/S1600536808006387","","","0.71073","MoKα","","0.0483","0.0419","","","0.0891","0.0923","","","","","","0.968","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217953","13.6181","0.0001","5.9526","0.0001","15.138","0.0002","90","","107.215","0.001","90","","1172.16","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aquabis(4-methylbenzoato)-κO;κ^2^O,O'-bis(pyridine- κN)nickel(II)","","- C26 H26 N2 Ni O5 -","- C26 H26 N2 Ni O5 -","- C52 H52 N4 Ni2 O10 -","2","1","KP2154","Song, Wen-Dong; Wang, Hao; Ji, Li-Li","Aquabis(4-methylbenzoato)-κO;κ^2^O,O'-bis(pyridine-κN)nickel(II)","Acta Crystallographica Section E","2008","64","4","m548","","10.1107/S160053680800634X","","","0.71073","MoKα","","0.0304","0.0275","","","0.0628","0.0646","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218003","5.6601","0.0008","23.129","0.003","8.7456","0.0013","90","","104.281","0.002","90","","1109.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4-Tri-O-acetyl-β-D-xylosyl 2,4-dichlorophenoxyacetate","","- C19 H20 Cl2 O10 -","- C19 H20 Cl2 O10 -","- C38 H40 Cl4 O20 -","2","1","SI2071","Wang, Xiaoming; Li, Xinyuan; Yin, Yale; Pang, Yanjun; Yang, Yonghua","2,3,4-Tri-O-acetyl-β-D-xylosyl 2,4-dichlorophenoxyacetate","Acta Crystallographica Section E","2008","64","4","o669","","10.1107/S1600536808005837","","","0.71073","MoKα","","0.0504","0.0461","","","0.1161","0.1206","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218106","13.241","0.0003","17.6223","0.0004","16.7978","0.0005","90","","91.018","0.002","90","","3918.93","0.17","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(2-pyridylmethyl)(triisopropylsilyl)amido]zinc(II)‒ toluene‒tetrahydrofuran (4/2/1)","","- C34.5 H60 N4 O0.25 Si2 Zn -","- C34.5 H60 N4 O0.25 Si2 Zn -","- C138 H240 N16 O Si8 Zn4 -","4","2","FJ2104","Koch, Christian; Görls, Helmar; Westerhausen, Matthias","Bis[(2-pyridylmethyl)(triisopropylsilyl)amido]zinc(II)‒toluene‒tetrahydrofuran (4/2/1)","Acta Crystallographica Section E","2008","64","5","m664","","10.1107/S160053680800888X","","","0.71073","MoKα","","0.0982","0.0611","","","0.1525","0.1732","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2218128","5.4234","0.0012","9.293","0.002","14.94","0.003","90","","91.039","0.002","90","","752.8","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5,3'-Dihydroxy-7,4'-dimethoxyflavanone","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","HB2716","Yao, Sumei; Qing, Weixia","5,3'-Dihydroxy-7,4'-dimethoxyflavanone from Artemisia sphaerocephala Kraschen","Acta Crystallographica Section E","2008","64","5","o822","","10.1107/S1600536808009355","","","0.71073","MoKα","","0.0306","0.0283","","","0.0754","0.0771","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218171","14.119","0.007","23.574","0.012","7.309","0.004","90","","99.191","0.009","90","","2402","2","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2,4-Dinitrophenyl)dehydroabietylamine","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C104 H132 N12 O16 -","4","2","IS2284","Qiu, Fei; Hong, Min; Jiang, Dawei; Zhu, Jin; Huang, Lequn Lee","N-(2,4-Dinitrophenyl)dehydroabietylamine","Acta Crystallographica Section E","2008","64","5","o889","","10.1107/S1600536808010490","","","0.71073","MoKα","","0.0814","0.0619","","","0.1337","0.1393","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218177","9.7306","0.0015","14.7003","0.0017","12.76","0.002","90","","109.927","0.008","90","","1715.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2Z,2'Z,4E,4'E)-4,4'-(Cyclohexane-1,2- diyldinitrilo)dipent-2-en-2-ol","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C64 H104 N8 O8 -","4","2","KP2164","Li, Xiu-Zhi; Qu, Zhi-Rong","(2Z,2'Z,4E,4'E)-4,4'-(Cyclohexane-1,2-diyldinitrilo)dipent-2-en-2-ol","Acta Crystallographica Section E","2008","64","5","o848","","10.1107/S160053680800977X","","","0.71073","MoKα","","0.0784","0.0615","","","0.1569","0.1668","","","","","","1.098","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218183","7.1022","0.0011","7.2949","0.0011","10.8121","0.0017","90","","97.293","0.004","90","","555.64","0.15","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-methyl-1-phenylpropan-2-aminium chloride","(+)-methamphetamine hydrochloride","","- C10 H16 Cl N -","- C10 H16 Cl N -","- C20 H32 Cl2 N2 -","2","1","LH2608","Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy","Redetermination of (+)-methamphetamine hydrochloride at 90 K","Acta Crystallographica Section E","2008","64","5","o940","","10.1107/S1600536808011550","","","0.71073","MoKα","","0.0609","0.0514","","","0.112","0.1171","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218186","8.861","0.0002","19.3132","0.0003","10.6823","0.0002","90","","109.385","0.001","90","","1724.47","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dicyclohexylammonium bis(chlorodifluoroacetato-κO)cyclopentylhexyldiphenylstannate(IV)]","","- C33 H43 Cl2 F4 N O4 Sn -","- C33 H43 Cl2 F4 N O4 Sn -","- C66 H86 Cl4 F8 N2 O8 Sn2 -","2","1","LH2611","Teo, Yin Yin; Lo, Kong Mun; Ng, Seik Weng","Dicyclohexylammonium bis(chlorodifluoroacetato-κO)cyclopentyldiphenylstannate(IV)","Acta Crystallographica Section E","2008","64","5","m700","","10.1107/S1600536808010775","","","0.71073","MoKα","","0.0624","0.0497","","","0.124","0.1323","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218199","5.7548","0.0002","11.6176","0.0004","6.9248","0.0002","90","","105.76","0.0016","90","","445.57","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-Methylpiperazinediium dichloride 0.42-hydrate","","- C5 H14.84 Cl2 N2 O0.42 -","- C5 H14.84 Cl2 N2 O0.42 -","- C10 H29.68 Cl4 N4 O0.84 -","2","1","NG2428","Harrison, William T. A.","(S)-2-Methylpiperazinediium dichloride 0.42-hydrate","Acta Crystallographica Section E","2008","64","5","o878","","10.1107/S1600536808010519","","","0.71073","MoKα","","0.0428","0.0421","","","0.1089","0.1099","","","","","","1.055","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2218208","8.577","0.001","13.551","0.001","10.357","0.001","90","","93.04","0.01","90","","1202.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Chloro-N-(3-chlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","2","NG2449","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","3-Chloro-N-(3-chlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","5","o949","","10.1107/S1600536808012099","","","1.5418","CuKα","","0.049","0.0461","","","0.1259","0.1307","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218248","12.008","0.0006","22.0379","0.0011","17.3408","0.0008","90","","109.45","0.003","90","","4327","0.4","99","2","99","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis[4-(dimethylamino)phenyl]diazene oxide","","- C16 H20 N4 O -","- C15.954 H17.9933 N4 O -","- C191.448 H215.92 N48 O12 -","12","6","SJ2473","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Bis[4-(dimethylamino)phenyl]diazene oxide","Acta Crystallographica Section E","2008","64","5","o874","o875","10.1107/S1600536808006740","","","0.71073","MoKα","","0.1742","0.1089","","","0.3126","0.3737","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218265","7.697","0.004","5.958","0.003","13.393","0.008","90","","95.505","0.005","90","","611.4","0.6","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(3S,4R)-4-(4-Fluorophenyl)-3-(hydroxymethyl)piperidinium chloride","","- C12 H17 Cl F N O -","- C12 H17 Cl F N O -","- C24 H34 Cl2 F2 N2 O2 -","2","1","TK2259","Nirmala, M; Sreekanth, B. R.; Vishweshwar, Peddy; Moses Babu, J.; Anjaneyulu, Y","(3S,4R)-4-(4-Fluorophenyl)-3-(hydroxymethyl)piperidinium chloride","Acta Crystallographica Section E","2008","64","5","o800","","10.1107/S1600536808008593","","","0.7107","MoKα","","","0.065","","","","0.203","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218268","8.6881","0.0011","10.3529","0.0008","9.8686","0.0011","90","0.0011","108.202","0.0014","90","0.0011","843.23","0.16","93.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-Poly[[diaquazinc(II)]-μ-L-cysteinato(2-)-κ^4^S:S,N,O-[di-μ-sulfido- bis[oxidomolybdate(V)](Mo—Mo)]-μ-L-cysteinato(2-)-κ^4^S,N,O:S]","","- C6 H14 Mo2 N2 O8 S4 Zn -","- C6 H14 Mo2 N2 O8 S4 Zn -","- C12 H28 Mo4 N4 O16 S8 Zn2 -","2","1","WK2080","Shibahara, Takashi; Ogasahara, Shinobu; Sakane, Genta","catena-Poly[[diaquazinc(II)]-μ-L-cysteinato(2{-})-κ^4^S:S,N,O-[di-μ-sulfido-bis[oxidomolybdate(V)](Mo—Mo)]-μ-L-cysteinato(2{-})-κ^4^S,N,O:S]","Acta Crystallographica Section E","2008","64","5","m605","m606","10.1107/S1600536808007757","","","0.7107","MoKα","","","0.0191","","","","0.0488","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218285","6.0545","0.0008","9.1438","0.0013","11.5228","0.0016","90","","92.905","0.002","90","","637.1","0.15","187","2","187","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Ethyl 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","XU2409","Ma, Chao; Du, Gui-Jie; Tian, Yu; Sha, Yu; Cheng, Mao-Sheng","(S)-Ethyl 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate","Acta Crystallographica Section E","2008","64","5","o815","","10.1107/S1600536808008908","","","0.71073","MoKα","","0.0338","0.0312","","","0.0741","0.0756","","","","","","1.084","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218321","7.2244","0.0003","8.2825","0.0003","7.854","0.004","90","","91.735","0.003","90","","469.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","potassium yttrium polyphosphate","Potassium yttrium polyphosphate","","- K O12 P4 Y -","- K O12 P4 Y -","- K2 O24 P8 Y2 -","2","1","BR2073","Horchani-Naifer, Karima; Jouini, Anis; Férid, Mokhtar","A monoclinic polymorph of KY(PO~3~)~4~","Acta Crystallographica Section E","2008","64","6","i34","","10.1107/S1600536808013925","","","0.71073","MoKα","","0.0536","0.0475","","","0.1175","0.1376","","","","","","1.134","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218323","10.6184","0.0018","6.052","0.0016","19.777","0.003","90","","93.481","0.002","90","","1268.6","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","{2-[(5-Bromo-2-oxidobenzylidene)amino-κ^2^N,O]-3-methylpentanoato-κO}(1,10- phenanthroline-κ^2^N,N')copper(II)","","- C25 H26 Br Cu N3 O5 -","- C25 H26 Br Cu N3 O5 -","- C50 H52 Br2 Cu2 N6 O10 -","2","1","BT2691","Liu, Zheng; Wang, Yong-Liao; Wang, Yuan","{2-[(5-Bromo-2-oxidobenzylidene)amino-κ^2^N,O]-3-methylpentanoato-κO}(1,10-phenanthroline-κ^2^N,N')copper(II) dihydrate","Acta Crystallographica Section E","2008","64","6","m760","","10.1107/S1600536808009495","","","0.71073","MoKα","","0.1097","0.0543","","","0.0668","0.0742","","","","","","0.962","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218365","5.9311","0.0011","12.456","0.002","9.6807","0.0018","90","","99.733","0.003","90","","704.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(2-Ammonio-3-methylbutyl)-1,2-dihydropyridin-2-iminium dibromide","","- C10 H19 Br2 N3 -","- C10 H19 Br2 N3 -","- C20 H38 Br4 N6 -","2","1","CS2071","Wang, Yifeng; Zhang, Jixv; Chen, Hui; Luo, Shuping","(S)-1-(2-Ammonio-3-methylbutyl)-1,2-dihydropyridin-2-iminium dibromide","Acta Crystallographica Section E","2008","64","6","o1025","","10.1107/S1600536808012154","","","0.71073","MoKα","","0.0451","0.0408","","","0.0906","0.0919","","","","","","0.986","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218369","8.1286","0.0017","5.056","0.003","15.848","0.003","90","","104.626","0.017","90","","630.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2R,3S)-2-ammonio-3-hydroxy-3-(4-nitrophenyl)propanoic acid chloride monohydrate","(2R,3S)-2-Ammonio-3-hydroxy-3-(4-nitrophenyl)propanoic acid chloride monohydrate","","- C9 H13 Cl N2 O6 -","- C9 H13 Cl N2 O6 -","- C18 H26 Cl2 N4 O12 -","2","1","CS2076","Gaumet, Vincent; Weber, Valérie; Zaitsev, Valery P.; Madesclaire, Michel","(2R,3S)-2-Ammonio-3-hydroxy-3-(4-nitrophenyl)propanoic acid chloride monohydrate","Acta Crystallographica Section E","2008","64","6","o1003","o1004","10.1107/S1600536808012750","","","0.71073","MoKα","","0.0499","0.0427","","","0.1101","0.1148","","","","","","1.086","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218382","4.7667","0.001","16.19","0.003","7.6714","0.0015","90","","93.3","0.03","90","","591","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-Hydroxybenzylideneamino)benzonitrile","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C28 H20 N4 O2 -","2","1","DN2331","Xia, Rong; Xu, Hai-Jun; Gong, Xing-Xuan","2-(2-Hydroxybenzylideneamino)benzonitrile","Acta Crystallographica Section E","2008","64","6","o1047","","10.1107/S160053680801163X","","","0.71073","MoKα","","0.1337","0.0609","","","0.113","0.1355","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218407","12.2799","0.0005","7.8968","0.0003","14.2831","0.0005","90","","104.653","0.004","90","","1340.01","0.09","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cholic acid‒quinoxaline (2/1)","3α,7α,12α-trihydroxy-5β-cholan-24-oic acid‒quinoxaline (2/1)","","- C56 H86 N2 O10 -","- C56 H86 N2 O10 -","- C56 H86 N2 O10 -","1","0.5","FL2200","Wicher, Barbara; Gdaniec, Maria","Cholic acid‒quinoxaline (2/1)","Acta Crystallographica Section E","2008","64","6","o1138","","10.1107/S1600536808015067","","","0.71073","MoKα","","0.042","0.0353","","","0.0971","0.1016","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218417","5.0093","0.0007","10.125","0.0013","9.6714","0.0014","90","","104.133","0.007","90","","475.68","0.11","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Isopropylbenzamide","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","1","HB2729","Oosten, Erik M. van; Lough, Alan J.; Vasdev, Neil","N-Isopropylbenzamide","Acta Crystallographica Section E","2008","64","6","o1005","","10.1107/S1600536808012804","","","0.71073","MoKα","","0.0953","0.0573","","","0.1288","0.148","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218424","4.8049","0.001","5.0231","0.001","29.398","0.006","90","","91.59","0.03","90","","709.3","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-Benzoyl-3-hydroxy-2-naphthohydrazide","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","HG2387","Liang, Qi-Feng; Feng, Hai-Mei; Li, Feng-Qing","N'-Benzoyl-3-hydroxy-2-naphthohydrazide","Acta Crystallographica Section E","2008","64","6","o1008","","10.1107/S1600536808012919","","","0.71073","MoKα","","0.0667","0.0471","","","0.1035","0.1119","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218437","10.2526","0.0015","8.5576","0.0013","10.3333","0.0016","90","","115.742","0.003","90","","816.6","0.2","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[2-(2-Methoxyphenyl)benzylidene]-tert-butylamine N-oxide","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C36 H42 N2 O4 -","2","1","HK2462","Wu, Jin-Long; Liao, Yu; Liu, Shan-Lin","N-[2-(2-Methoxyphenyl)benzylidene]-tert-butylamine N-oxide","Acta Crystallographica Section E","2008","64","6","o1099","","10.1107/S1600536808014529","","","0.71075","MoKα","","","0.034","","","","0.058","","","","","","1.004","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218444","13.648","0.003","6.8085","0.0014","15.952","0.003","90","","98.24","0.03","90","","1467","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","{2,2'-[Ethylenebis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}oxidovanadium(IV)","","- C16 H14 N2 O3 V -","- C16 H14 N2 O3 V -","- C64 H56 N8 O12 V4 -","4","2","HY2124","Wang, Cheng; Yuan, Ji-Hong; Xie, Gang; Yu, Ming-Juan; Li, Jing","{2,2'-[Ethylenebis(nitrilomethylidyne)]diphenolato-κ^4^O,N,N',O'}oxidovanadium(IV)","Acta Crystallographica Section E","2008","64","6","m775","m776","10.1107/S1600536808010611","","","0.71073","MoKα","","0.0633","0.043","","","0.0996","0.1094","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218469","14.8159","0.0003","9.1959","0.0002","15.0797","0.0002","90","","93.7245","0.0012","90","","2050.2","0.07","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-O-Benzhydryl-3,4-(S)-O-benzylidene-D-xylono-1,4-lactone","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","2","LH2623","Jenkinson, Sarah F.; Rule, Sebastian D.; Booth, Kathrine V.; Fleet, George W. J.; Watkin, David J.; Petursson, Sigthor","2-O-Benzhydryl-3,4-(S)-O-benzylidene-D-xylono-1,4-lactone","Acta Crystallographica Section E","2008","64","6","o1012","","10.1107/S1600536808012567","","","0.71073","MoKα","","0.0476","0.0336","","0.1006","0.0833","0.1006","","","","","","0.8864","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218479","5.1554","0.001","9.5043","0.0019","13.627","0.003","90","","94.82","0.03","90","","665.3","0.2","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[tetraaquazinc(II)]-μ-1,3,4-thiadiazol-2,5-\ diyldithiodiacetato-κ^2^O:O']","","- C6 H12 N2 O8 S3 Zn -","- C6 H12 N2 O8 S3 Zn -","- C12 H24 N4 O16 S6 Zn2 -","2","1","NG2446","Yu, Ying-Hui; He, Chuan; Hou, Guang-Feng; Gao, Jin-Sheng; Zhang, Hong-Kun","catena-Poly[[tetraaquazinc(II)]-μ-1,3,4-thiadiazol-2,5-diyldithiodiacetato-κ^2^O:O']","Acta Crystallographica Section E","2008","64","6","m794","","10.1107/S1600536808013251","","","0.71073","MoKα","","0.0229","0.021","","","0.0457","0.0462","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218505","6.8476","0.0011","12.1101","0.0014","16.012","0.002","90","","91.173","0.015","90","","1327.5","0.3","298","1","298","1","101","2","","","","","","4","P 1 21 1","P 2yb","4","","(-)-N,N'-Bis[(1S,2R,5S)-6,6-dimethyl- bicyclo[3.1.1]heptan-2-ylmethyl]pyridine-2,6-dicarboxamide monohydrate","","- C27 H41 N3 O3 -","- C27 H41 N3 O3 -","- C54 H82 N6 O6 -","2","1","RK2088","Bernès, Sylvain; Pérez-Flores, Francisco Javier; Gutiérrez, René","({-})-N,N'-Bis[(1S,2R,5S)-6,6-dimethyl-bicyclo[3.1.1]heptan-2-ylmethyl]pyridine-2,6-dicarboxamide monohydrate","Acta Crystallographica Section E","2008","64","6","o1078","o1079","10.1107/S1600536808013652","","","0.71073","MoKα","","0.0521","0.0396","","","0.0995","0.1066","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218620","7.3905","0.0007","11.3374","0.0016","19.943","0.002","90","","93.686","0.002","90","","1667.5","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","μ-4,4'-Bipyridine-κ^2^N:N'- bis{[2-(3,5-Dibromo-2-oxidobenzylideneamino)-3-hydroxypropanoato- κ^3^O,N,O']copper(II)} monohydrate","","- C30 H24 Br4 Cu2 N4 O9 -","- C30 H24 Br4 Cu2 N4 O9 -","- C60 H48 Br8 Cu4 N8 O18 -","2","1","BT2726","Wang, Yong Liao; Liu, Zheng; Wang, Yuan","μ-4,4'-Bipyridine-κ^2^N:N'-bis{[2-(3,5-dibromo-2-oxidobenzylideneamino)-3-hydroxypropanoato-κ^3^O,N,O']copper(II)} monohydrate","Acta Crystallographica Section E","2008","64","7","m953","","10.1107/S1600536808018357","","","0.71073","MoKα","","0.1332","0.0733","","","0.1704","0.1872","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218635","11.7573","0.0012","15.9783","0.0018","15.0881","0.0015","90","","103.787","0.009","90","","2752.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,3S,4S)-tert-Butyl N-[1-benzyl-3-hydroxy-5-phenyl-4-(picolinamido)pentyl]carbamate","","- C29 H35 N3 O4 -","- C29 H35 N3 O4 -","- C116 H140 N12 O16 -","4","2","CF2204","Zheng, Jian-Feng; Huang, Su-Yu; Guo, Jian-Nan; Zhang, Yu; Jin, Li-Ren","(1S,3S,4S)-tert-Butyl N-[1-benzyl-3-hydroxy-5-phenyl-4-(picolinamido)pentyl]carbamate","Acta Crystallographica Section E","2008","64","7","o1362","","10.1107/S1600536808018965","","","0.71073","MoKα","","0.0969","0.0682","","","0.1728","0.1801","","","","","","1.19","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218657","4.0516","0.0001","9.6501","0.0002","17.912","0.0004","90","","92.396","0.001","90","","699.72","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(3-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","CI2619","Fun, Hoong-Kun; Chantrapromma, Suchada; Patil, P. S.; Dharmaprakash, S. M.","(E)-1-(3-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","7","o1356","o1357","10.1107/S1600536808018850","","","0.71073","MoKα","","0.057","0.0343","","","0.0707","0.0931","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218660","9.8272","0.0006","10.3152","0.0006","10.2585","0.0006","90","","100.452","0.003","90","","1022.64","0.11","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4-O-(2,3-Dimethoxybutane-2,3-diyl)-S-(4-methylphenyl)-1- thia-α-D-mannopyranoside","","- C19 H28 O7 S -","- C19 H28 O7 S -","- C38 H56 O14 S2 -","2","1","CV2406","Xu, Fei-Fei; Han, Dong; Wang, Lin-Na; Meng, Xiang-Bao; Li, Zhong-Jun","3,4-O-(2,3-Dimethoxybutane-2,3-diyl)-S-(4-methylphenyl)-1-thia-α-D-mannopyranoside","Acta Crystallographica Section E","2008","64","7","o1367","","10.1107/S1600536808018874","","","0.7107","MoKα","","0.0415","0.0336","","","0.0738","0.0985","","","","","","1.079","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218675","4.754","0.005","13.982","0.004","14.672","0.005","90","","97.97","0.06","90","","965.8","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","rac-4-Methoxy-5-[4-(4-methoxy-1,3-benzodioxol-5-yl)perhydro- 1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","DN2355","Ezhilmuthu, Rukmani Perumal; Vembu, Nagarajan; Sulochana, Nagarajan","4-Methoxy-5-[4-(4-methoxy-1,3-benzodioxol-5-yl)perhydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole","Acta Crystallographica Section E","2008","64","7","o1306","o1307","10.1107/S1600536808018138","","","0.71073","MoKα","","0.0508","0.0404","","","0.1027","0.11","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218702","11.6801","0.0005","6.0522","0.0003","15.3739","0.0006","90","","107.678","0.002","90","","1035.47","0.08","296","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","dimethyl (2R,3aR,4R,6aR,7R,9S,9aS,9bS)-2-(3-furyl)-9,9a-dihydroxy- 3a,6a-dimethyldodecahydrobenzo[de]chromene-4,7-dicarboxylate","","- C22 H30 O8 -","- C22 H30 O8 -","- C44 H60 O16 -","2","1","GW2037","Carvalho, Paulo; Bikbulatov, Ruslan; Zjawiony, Jordan K.; Avery, Mitchell A.","Unusual hemiacetal structure derived from Salvinorin A","Acta Crystallographica Section E","2008","64","7","o1370","o1371","10.1107/S160053680800144X","","","1.54178","CuKα","","0.0381","0.0369","","","0.095","0.096","","","","","","1.049","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2218738","7.555","0.002","10.023","0.002","14.423","0.003","90","","101.29","0.03","90","","1071","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(1S,2S,3R,4R)-3-Hydroxy-4,7,7- trimethylbicyclo[2.2.1]hept-2-yl]methyl[(E)-3-(trimethylsilyl)prop-2- enyl]selenonium bromide","","- C17 H33 Br O Se Si -","- C17 H33 Br O Se Si -","- C34 H66 Br2 O2 Se2 Si2 -","2","1","IM2070","Wang, Hai-Yang; Zhang, Qiang; Li, Yi-Zhi; Gui, Yuan; Huang, Zhi-Zhen","[(1S,2S,3R,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]methyl[(E)-3-(trimethylsilyl)prop-2-enyl]selenonium bromide","Acta Crystallographica Section E","2008","64","7","o1245","","10.1107/S1600536808016863","","","0.71073","MoKα","","0.0711","0.0527","","","0.1","0.1021","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218743","11.5897","0.0001","8.8972","0.0001","11.7397","0.0001","90","","90.571","0.001","90","","1210.49","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Swietenolide monohydrate","Methyl 4-(3-furyl)-α,10-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo- 1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-7,11-methano-2H- cycloocta[f][2]benzopyran-8-acetate monohydrate","","- C27 H36 O9 -","- C27 H36 O9 -","- C54 H72 O18 -","2","1","IS2302","Tan, Seok-Keik; Osman, Hasnah; Wong, Keng-Chong; Fun, Hoong-Kun; Chantrapromma, Suchada","Swietenolide monohydrate","Acta Crystallographica Section E","2008","64","7","o1267","o1268","10.1107/S1600536808017431","","","0.71073","MoKα","","0.0398","0.0365","","","0.0989","0.1015","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218760","8.591","0.0011","9.9101","0.0012","15.1762","0.0019","90","","106.327","0.001","90","","1240","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[4-(Diaminomethyleneaminosulfonyl)phenyliminiomethyl]-2-naphtholate N,N-dimethylformamide disolvate","","- C24 H30 N6 O5 S -","- C24 H30 N6 O5 S -","- C48 H60 N12 O10 S2 -","2","1","LH2634","El-Ghamry, Hoda; Issa, Raafat; El-Baradie, Kamal; Isagai, Keiko; Masaoka, Shigeyuki; Sakai, Ken","1-[4-(Diaminomethyleneaminosulfonyl)phenyliminiomethyl]-2-naphtholate N,N-dimethylformamide disolvate","Acta Crystallographica Section E","2008","64","7","o1350","o1351","10.1107/S1600536808018710","","","0.71073","MoKα","","0.0386","0.0362","","","0.0899","0.091","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218787","11.75456","0.0001","7.0595","0.00008","17.22794","0.00015","90","","93.1811","0.0008","90","","1427.39","0.02","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexaaquamagnesium(II) bis(D-camphor-10-sulfonate)","","- C20 H42 Mg O14 S2 -","- C20 H42 Mg O14 S2 -","- C40 H84 Mg2 O28 S4 -","2","1","PK2103","Jeremić, Dejan; Kaluderović, Goran N.; Brčeski, Ilija; Gómez-Ruiz, Santiago; Andelković, Katarina K.","Hexaaquamagnesium(II) bis(D-camphor-10-sulfonate)","Acta Crystallographica Section E","2008","64","7","m952","","10.1107/S1600536808018047","","","0.71073","MoKα","","0.0347","0.0277","","","0.0673","0.069","","","","","","0.987","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218788","12.9348","0.0006","6.0151","0.0003","16.5398","0.0009","90","","106.17","0.005","90","","1235.96","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 2,5-dioxopyrrolidin-1-yl carbonate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","2","PV2076","Hu, An-Fu; Ji, Tao; Gao, Yu-Xing; Xu, Peng-Xiang; Zhao, Yu-Fen","Benzyl 2,5-dioxopyrrolidin-1-yl carbonate","Acta Crystallographica Section E","2008","64","7","o1326","","10.1107/S1600536808015948","","","0.71073","MoKα","","0.061","0.037","","","0.095","0.113","","","","","","0.904","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218812","12.9505","0.0005","13.285","0.0003","14.2555","0.0002","90","","92.221","0.002","90","","2450.78","0.11","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","Hexa-μ~2~-bromido-μ~4~-oxo-tetrakis[(nicotine)copper(II)]","hexa-μ~2~-bromido-μ~4~-oxo-tetrakis{[3-(1-methyl-2-pyrrolidinyl)pyridine-\ κN]copper(II)}","","- C40 H56 Br6 Cu4 N8 O -","- C40 H56 Br6 Cu4 N8 O -","- C80 H112 Br12 Cu8 N16 O2 -","2","1","SI2090","Jiang, Zhengjing; Tang, Guodong; Lu, Lude","Hexa-μ~2~-bromido-μ~4~-oxo-tetrakis[(nicotine)copper(II)]","Acta Crystallographica Section E","2008","64","7","m958","m959","10.1107/S1600536808018473","","","0.71073","MoKα","","0.0608","0.0523","","","0.1206","0.1225","","","","","","1.083","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218813","5.0475","0.0002","11.2319","0.0006","10.3517","0.0005","90","","96.62","0.003","90","","582.96","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1H-Benzimidazol-1-yl)-1-phenylethanone","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","1","SI2097","Özel Güven, Özden; Erdoğan, Taner; Coles, Simon J.; Hökelek, Tuncer","2-(1H-Benzimidazol-1-yl)-1-phenylethanone","Acta Crystallographica Section E","2008","64","7","o1358","","10.1107/S1600536808019107","","","0.71073","MoKα","","0.0585","0.0474","","","0.1115","0.1186","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218840","9.2639","0.0005","19.0609","0.0011","10.1991","0.0006","90","","108.479","0.001","90","","1708.08","0.17","125","2","125","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Tetraiodido[methylenebis(diphenylphosphine oxide)-κ^2^O:O']tin(IV) chloroform solvate","","- C26 H23 Cl3 I4 O2 P2 Sn -","- C26 H23 Cl3 I4 O2 P2 Sn -","- C52 H46 Cl6 I8 O4 P4 Sn2 -","2","1","WM2178","Caldwell, Allison M.; Tanski, Joseph M.","Tetraiodido[methylenebis(diphenylphosphine oxide)-κ^2^O:O']tin(IV) chloroform solvate","Acta Crystallographica Section E","2008","64","7","m894","","10.1107/S1600536808013627","","","0.71073","MoKα","","0.0225","0.0209","","","0.0449","0.0455","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218883","8.4338","0.0004","7.0715","0.0004","11.3524","0.0006","90","","101.875","0.001","90","","662.56","0.06","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-(+)-Ketamine hydrochloride","(S)-(+)-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanaminium chloride","","- C13 H17 Cl2 N O -","- C13 H17 Cl2 N O -","- C26 H34 Cl4 N2 O2 -","2","1","BH2181","Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy","(S)-(+)-Ketamine hydrochloride","Acta Crystallographica Section E","2008","64","8","o1487","","10.1107/S1600536808021053","","","0.71073","MoKα","","0.0284","0.0273","","","0.0651","0.0659","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218904","9.739","0.0013","14.355","0.002","9.8361","0.001","90","","95.779","0.009","90","","1368.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R)-Ethyl 2-(5-bromo-2,3-dioxoindolin-1-yl)propanoate","","- C13 H12 Br N O4 -","- C13 H12 Br N O4 -","- C52 H48 Br4 N4 O16 -","4","2","BT2723","Kurkin, Alexander V.; Bernovskaya, Anna A.; Yurovskaya, Marina A.; Rybakov, Victor B.","(2R)-Ethyl 2-(5-bromo-2,3-dioxoindolin-1-yl)propanoate","Acta Crystallographica Section E","2008","64","8","o1448","","10.1107/S1600536808020588","","","1.54184","CuKα","","0.0753","0.0514","","","0.122","0.1399","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218919","4.0538","0.0008","13.661","0.003","10.975","0.002","90","","91.7","0.02","90","","607.5","0.2","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Chlorophenyl 4-methylbenzoate","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C28 H22 Cl2 O4 -","2","1","BT2750","Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut","2-Chlorophenyl 4-methylbenzoate","Acta Crystallographica Section E","2008","64","8","o1546","","10.1107/S1600536808022290","","","0.71073","MoKα","","0.0537","0.0345","","","0.0907","0.116","","","","","","1.149","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218947","5.972","0.0003","8.5153","0.0005","14.8271","0.0006","90","","97.223","0.003","90","","748.02","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione","","- C14 H20 N4 S -","- C14 H20 N4 S -","- C28 H40 N8 S2 -","2","1","CI2633","Fun, Hoong-Kun; Sujith, K. V.; Patil, P. S.; Kalluraya, B.; Chantrapromma, Suchada","4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2008","64","8","o1590","o1591","10.1107/S1600536808022794","","","0.71073","MoKα","","0.0501","0.0455","","","0.1152","0.1186","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218961","7.379","0.005","18.066","0.005","14.222","0.005","90","0.005","102.551","0.005","90","0.005","1850.6","1.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido[6-phenyl-4-(p-tolyl)-2,2'-bipyridyl-κ^2^N,N']platinum(II)","","- C23 H17 Cl N2 Pt -","- C23 H17 Cl N2 Pt -","- C92 H68 Cl4 N8 Pt4 -","4","2","CV2424","Lu, Hong Bo; Lv, Guo Qiang; Zuo, Jin Lin; Yang, Jia Xiang","Chlorido[6-phenyl-4-(p-tolyl)-2,2'-bipyridyl-κ^2^N,N']platinum(II)","Acta Crystallographica Section E","2008","64","8","m1013","","10.1107/S1600536808020473","","","0.71069","MoKα","","0.0522","0.0378","","","0.0971","0.1099","","","","","","0.719","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218976","4.825","0.003","8.426","0.003","15.111","0.009","90","","95.64","0.04","90","","611.4","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-1-Methoxycarbonyl-2-(4-nitrophenyl)ethanaminium chloride","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C20 H26 Cl2 N4 O8 -","2","1","DN2364","Wen, Xiao-Chun","(S)-1-Methoxycarbonyl-2-(4-nitrophenyl)ethanaminium chloride","Acta Crystallographica Section E","2008","64","8","o1460","","10.1107/S1600536808020874","","","0.71073","MoKα","","0.0696","0.0481","","","0.1011","0.1119","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218998","3.9855","0.0001","10.0681","0.0003","17.527","0.0004","90","","92.227","0.002","90","","702.76","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","FL2206","Fun, Hoong-Kun; Patil, P. S.; Dharmaprakash, S. M.; Chantrapromma, Suchada","1-(4-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1540","o1541","10.1107/S1600536808021776","","","0.71073","MoKα","","0.0397","0.0327","","","0.0785","0.095","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219009","6.2934","0.0013","16.411","0.003","11.607","0.002","90","","95.46","0.03","90","","1193.3","0.4","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,4S,5S)-4-Hydroxy-3-methyl-5-[(2S,3R)- 3-methylpent-4-en-2-yl]tetrahydrofuran-2-one","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","2","HB2741","Becker, Annika; Schürmann, Markus; Preut, Hans; Hiersemann, Martin","(3R,4S,5S)-4-Hydroxy-3-methyl-5-[(2S,3R)-3-methylpent-4-en-2-yl]tetrahydrofuran-2-one","Acta Crystallographica Section E","2008","64","8","o1517","","10.1107/S1600536808021181","","","0.71073","MoKα","","0.0823","0.0357","","","0.0744","0.0796","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219040","6.005","0.0012","7.582","0.0015","12.512","0.003","90","","98.58","0.03","90","","563.3","0.2","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-acryloylphenylalanie","N-Acryloylphenylalanine","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","HK2488","Wu, Cong-Ren; Gao, Xiao-Feng; Wang, Hai-Bo; Jin, Dong; Wang, Jin-Tang","N-Acryloylphenylalanine","Acta Crystallographica Section E","2008","64","8","o1483","","10.1107/S1600536808020849","","","0.71073","MoKα","","0.0744","0.0622","","","0.1453","0.1607","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219063","7.6862","0.0006","27.484","0.002","11.1863","0.0009","90","","110.094","0.002","90","","2219.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6β-Chloro-5α-hydroxy-20-oxopregnan-3β-yl acetate","","- C23 H35 Cl O4 -","- C23 H35 Cl O4 -","- C92 H140 Cl4 O16 -","4","2","IM2073","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.; Matos Beja, Ana; Ramos Silva, Manuela","6β-Chloro-5α-hydroxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section E","2008","64","8","o1420","","10.1107/S1600536808019478","","","0.71073","MoKα","","0.0729","0.0423","","","0.102","0.1169","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219092","4.8486","0.0003","4.8827","0.0003","16.8354","0.0013","90","","92.856","0.002","90","","398.07","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","L-fucitol","1-Deoxy-D-galactitol","","- C6 H14 O5 -","- C6 H14 O5 -","- C12 H28 O10 -","2","1","LH2653","Jenkinson, Sarah F.; Booth, K. Victoria; Yoshihara, Akihide; Morimoto, Kenji; Fleet, George W. J.; Izumori, Ken; Watkin, David J.","1-Deoxy-D-galactitol (L-fucitol)","Acta Crystallographica Section E","2008","64","8","o1429","","10.1107/S1600536808020345","","","0.71073","MoKα","","0.0531","0.0398","","0.1109","0.0914","0.1109","","","","","","0.8834","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219113","6.4896","0.0002","16.3963","0.0005","13.243","0.0003","90","","94.393","0.002","90","","1404.99","0.07","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5,6-Dioxo-1,10-phenanthrolin-1-ium trifluoromethanesulfonate","","- C13 H7 F3 N2 O5 S -","- C13 H7 F3 N2 O5 S -","- C52 H28 F12 N8 O20 S4 -","4","2","NG2417","Onuegbu, Jonathan; Butcher, Ray J.; Hosten, Charles; Udeochu, Uche Charles; Bakare, Oladapo","5,6-Dioxo-1,10-phenanthrolin-1-ium trifluoromethanesulfonate","Acta Crystallographica Section E","2008","64","8","o1543","","10.1107/S1600536808016632","","","0.71073","MoKα","","0.0576","0.0342","","","0.0701","0.0765","","","","","","0.936","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219136","6.503","0.001","15.914","0.003","7.6626","0.0012","90","","96.497","0.003","90","","787.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-3-Hydroxy-2-methoxycarbonyl-8-methyl-8- azoniabicyclo[3.2.1]octane L-bitartrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C28 H42 N2 O18 -","2","1","RK2093","Yu, Jian-Bing; Chen, Shuang-Wei; Zheng, Guo-Rong; Dai, Li-Yan","(R)-(+)-3-Hydroxy-2-methoxycarbonyl-8-methyl-8-azoniabicyclo[3.2.1]octane L-bitartrate","Acta Crystallographica Section E","2008","64","8","o1653","","10.1107/S1600536808023532","","","0.71073","MoKα","","0.065","0.064","","","0.1524","0.1538","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219148","6.2349","0.0012","5.299","0.0011","15.727","0.003","90","","101.4","0.03","90","","509.35","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ammonio-3-(4-nitrophenyl)propanoate monohydrate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","RZ2221","Dai, Wei; Fu, Da-Wei","2-Ammonio-3-(4-nitrophenyl)propanoate monohydrate","Acta Crystallographica Section E","2008","64","8","o1446","","10.1107/S1600536808017960","","","0.71073","MoKα","","0.0575","0.0514","","","0.1368","0.1403","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219159","11.257","0.0006","16.4848","0.0008","12.7431","0.0006","90","","114.686","0.001","90","","2148.62","0.19","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{4,4',6,6'-tetrachloro-2,2'-[trans-(R,R)-cyclohexane-1,2- diylbis(iminomethylene)]diphenolato-κ^4^O,N,N',O'}zirconium(IV)","","- C40 H40 Cl8 N4 O4 Zr -","- C40 H40 Cl8 N4 O4 Zr -","- C80 H80 Cl16 N8 O8 Zr2 -","2","1","RZ2233","Shalumova, Tamila; Tanski, Joseph M.","Bis{4,4',6,6'-tetrachloro-2,2'-[trans-(R,R)-cyclohexane-1,2-diylbis(iminomethylene)]diphenolato-κ^4^O,N,N',O'}zirconium(IV)","Acta Crystallographica Section E","2008","64","8","m1029","m1030","10.1107/S1600536808021247","","","0.71073","MoKα","","0.054","0.0385","","","0.0632","0.0679","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219221","3.97","0.0008","10.54","0.002","13.2","0.003","90","","98","0.03","90","","547","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(3-Bromophenyl)iminomethyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C26 H20 Br2 N2 O2 -","2","1","AT2611","Ren, Xiao-Yan; Jian, Fang-Fang","2-[(3-Bromophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2008","64","9","o1863","","10.1107/S1600536808027360","","","0.71073","MoKα","","0.0879","0.082","","","0.2242","0.2288","","","","","","1.129","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219226","6.1953","0.0001","8.2895","0.0002","13.2737","0.0001","90","","103.353","0.002","90","","663.25","0.02","83","2","83","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R)-4-[(1R)-1,2-Dihydroxyethyl]-1-[(1R)-1- phenylethyl]pyrrolidin-2-one","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C28 H38 N2 O6 -","2","1","AT2618","Blaser, Adrian; Boyd, Peter D. W.","(4R)-4-[(1R)-1,2-Dihydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one","Acta Crystallographica Section E","2008","64","9","o1851","","10.1107/S1600536808027293","","","0.71073","MoKα","","0.0577","0.0452","","","0.0901","0.0986","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219246","10.1765","0.0003","12.2178","0.0002","15.8932","0.0003","90","","106.683","0.001","90","","1892.89","0.07","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[tris(ethane-1,2-diamine)nickel(II)] octacyanidomolybdate(IV) dihydrate","","- C20 H52 Mo N20 Ni2 O2 -","- C20 H52 Mo N20 Ni2 O2 -","- C40 H104 Mo2 N40 Ni4 O4 -","2","1","BR2077","Liu, Wen-Yan; Zhou, Hu; Guo, Ji-Xi; Yuan, Ai-Hua","Bis[tris(ethane-1,2-diamine)nickel(II)] octacyanidomolybdate(IV) dihydrate","Acta Crystallographica Section E","2008","64","9","m1152","m1153","10.1107/S1600536808024963","","","0.71073","MoKα","","0.0556","0.0519","","","0.1207","0.1216","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219293","4.9998","0.0013","13.475","0.004","10.824","0.003","90","","93.674","0.004","90","","727.7","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methoxy-N'-(2-methoxybenzylidene)benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C32 H32 N4 O6 -","2","1","CI2648","Lu, Jiu-Fu; Min, Suo-Tian; Ji, Xiao-Hui; Dang, Zhong-Hai","2-Methoxy-N'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","9","o1695","","10.1107/S160053680802521X","","","0.71073","MoKα","","0.0762","0.0501","","","0.0864","0.0945","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219312","12.608","0.003","11.185","0.002","14.438","0.003","90","","106.14","0.03","90","","1955.8","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(E,E)-N,N'-Bis[1-(2-hydroxyphenyl)ethylidene]cyclohexane-1,2-diamine","(E,E)-2,2'-[1,1'-(cyclohexane-1,2- diyldinitrilo)diethylidyne]diphenol","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","EZ2132","Chen, Fang; Ye, Heng-Yun","(E,E)-2,2'-[1,1'-(Cyclohexane-1,2-diyldinitrilo)diethylidyne]diphenol","Acta Crystallographica Section E","2008","64","9","o1757","","10.1107/S160053680802552X","","","0.71073","MoKα","","0.0985","0.0567","","","0.1162","0.134","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219322","8.219","0.006","6.501","0.004","12.731","0.008","90","","100.692","0.01","90","","668.4","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S)3-(4-Chlorophenyl)-8-methyltropane-2-carboxylic acid","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C30 H36 Cl2 N2 O4 -","2","1","FJ2136","Chen, Zheng-Ping; Wang, Song-Pei; Li, Xiao-Min; Tang, Jie; Lin, Jian-Guo","(2S,3S)-3-(4-Chlorophenyl)-8-methyltropane-2-carboxylic acid","Acta Crystallographica Section E","2008","64","9","o1732","","10.1107/S1600536808025002","","","0.71073","MoKα","","0.0627","0.0519","","","0.1183","0.1247","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219446","13.3763","0.0003","6.2288","0.0001","15.0495","0.0004","90","","94.205","0.002","90","","1250.52","0.05","223","","223","","","","","","","","","3","P 1 21 1","P 2yb","4","","3α-azido-5-cholestene","","- C27 H45 N3 -","- C27 H45 N3 -","- C54 H90 N6 -","2","1","TK2292","Houston, Todd A.; Quader, Sabina; Boyd, Sue E.; Jenkins, Ian D.; Healy, Peter C.","3α-Azido-5-cholestene","Acta Crystallographica Section E","2008","64","9","o1738","","10.1107/S1600536808025294","","","0.7107","MoKα","","0.0543","0.0442","","","0.1201","0.1248","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219465","9.483","0.003","6.757","0.002","10.548","0.003","90","","99.217","0.005","90","","667.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-[(R)-3,3-Dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-\ 1H-isochromen-1-one","","- C13 H12 Cl2 O5 -","- C13 H12 Cl2 O5 -","- C26 H24 Cl4 O10 -","2","1","WW2128","Huang, Hua-Rong; Fang, Yan-Xiong; Du, Zhi-Yun; Zhang, Kun; Lin, Yong-Cheng","3-[(R)-3,3-Dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-1H-isochromen-1-one","Acta Crystallographica Section E","2008","64","9","o1801","","10.1107/S1600536808026391","","","0.71073","MoKα","","0.0389","0.0349","","","0.0908","0.0953","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219466","12.345","0.003","9.6763","0.0019","13.268","0.003","90","","115","0.03","90","","1436.4","0.7","296","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-Bis[1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]- 2,6-dimethylpyridine","","- C29 H27 Cl2 N5 O2 -","- C29 H27 Cl2 N5 O2 -","- C58 H54 Cl4 N10 O4 -","2","1","XU2444","Qian, Qun; Zhang, Jun; Zhang, Min; He, Xiang; Xia, Yi-Ben","3,5-Bis[1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethylpyridine","Acta Crystallographica Section E","2008","64","9","o1700","","10.1107/S1600536808023921","","","0.71073","MoKα","","0.0595","0.0364","","","0.0688","0.0773","","","","","","0.911","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219468","10.1935","0.0005","7.3226","0.0003","11.3056","0.0004","90","","99.294","0.0001","90","","832.81","0.06","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,7S,9aS,9bR)-3a,6,6,9a-Tetramethyl-2-oxoperhydronaphtho[2,1-b]furan-7-yl acetate","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","XU2447","Huang, Qing-Chun; Li, Bo-Gang; Xie, Yi-Peng; Yu, Kai-Bei; Zhang, Guo-Lin","(3aS,7S,9aS,9bR)-3a,6,6,9a-Tetramethyl-2-oxoperhydronaphtho[2,1-b]furan-7-yl acetate","Acta Crystallographica Section E","2008","64","9","o1765","","10.1107/S1600536808025737","","","0.71073","MoKα","","0.0337","0.0315","","","0.082","0.0861","","","","","","0.992","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219502","9.714","0.002","18.489","0.003","11.169","0.002","90","","109.23","0.01","90","","1894.1","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-N-{2-tert-Butyl-2-[(R)-tert- butylsulfonamido]ethylidene}-tert-butanesulfonamide","","- C14 H30 N2 O2 S2 -","- C14 H30 N2 O2 S2 -","- C56 H120 N8 O8 S8 -","4","2","BT2777","Hu, Yu; Sun, Xiao-Xia; Fan, Cong-Bin","(R)-N-{2-tert-Butyl-2-[(R)-tert-butylsulfonamido]ethylidene}-tert-butanesulfonamide","Acta Crystallographica Section E","2008","64","10","o1913","","10.1107/S1600536808028225","","","0.71073","MoKα","","0.0576","0.0387","","","0.0791","0.0835","","","","","","0.925","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219533","5.3722","0.0011","8.4244","0.0017","15.38","0.003","90","","93.67","0.03","90","","694.6","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methoxycarbonyl-2-(4-nitrophenyl)ethanaminium nitrate","","- C10 H13 N3 O7 -","- C10 H13 N3 O7 -","- C20 H26 N6 O14 -","2","1","CI2667","Wen, Xiao-Chun","1-Methoxycarbonyl-2-(4-nitrophenyl)ethanaminium nitrate","Acta Crystallographica Section E","2008","64","10","o1905","","10.1107/S1600536808028390","","","0.71073","MoKα","","0.0835","0.0551","","","0.1425","0.1604","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219555","7.0222","0.0002","30.5501","0.0007","7.8539","0.0002","90","","112.3","0.002","90","","1558.88","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pheophorbide b ethyl ester","","","- C37 H38 N4 O6 -","- C37 H38 N4 O6 -","- C74 H76 N8 O12 -","2","1","CV2447","Chee, Chin Fei; Rahman, Noorsaadah Abdul; Zain, Sharifuddin M.; Ng, Seik Weng","Pheophorbide b ethyl ester from a chlorella vulgaris dietary supplement","Acta Crystallographica Section E","2008","64","10","o1986","","10.1107/S160053680802970X","","","0.71073","MoKα","","0.0776","0.0635","","","0.1655","0.1774","","","","","","1.174","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219633","13.8166","0.0007","5.7008","0.0003","15.0425","0.0009","90","","91.494","0.004","90","","1184.43","0.11","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","Phenyl 2-amino-N,6-O-dibenzyl-2,3-N,O-carbonyl-2-deoxy-1-thio-β-D-glucopyranoside","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","IS2324","Manabe, Shino; Ishii, Kazuyuki; Hashizume, Daisuke; Ito, Yukishige","Phenyl 2-amino-N,6-O-dibenzyl-2,3-N,O-carbonyl-2-deoxy-1-thio-β-D-glucopyranoside","Acta Crystallographica Section E","2008","64","10","o1868","","10.1107/S1600536808027189","","","0.71073","MoKα","","0.0779","0.0578","","","0.1481","0.1673","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219655","5.8769","0.0001","18.8659","0.0003","12.9864","0.0002","90","","94.668","0.001","90","","1435.07","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","4,4'-Methylenediphenylammonium bis(5-sulfonatosalicylate) monohydrate","4,4'-Methylenedianilinium bis(3-carboxy-4-hydroxybenzenesulfonate) monohydrate","","- C27 H28 N2 O13 S2 -","- C27 H28 N2 O13 S2 -","- C54 H56 N4 O26 S4 -","2","1","LH2691","Du, Guihuan; Liu, Zuli; Chu, Qian; Li, Zhen; Zhang, Suming","4,4'-Methylenedianilinium bis(3-carboxy-4-hydroxybenzenesulfonate) monohydrate","Acta Crystallographica Section E","2008","64","10","o1947","o1948","10.1107/S1600536808029115","","","0.71073","Mokα","","0.0467","0.0397","","","0.098","0.1059","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219670","9.676","0.004","7.651","0.004","11.715","0.005","90","","106.256","0.015","90","","832.6","0.7","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[(dimethyl sulfoxide-κO)zinc(II)]- μ-(E)-2-[(2-oxido-1-naphthyl)methyleneamino]propanoato-κ^4^O^2^,N,O^1^:O^1'^]","","- C16 H17 N O4 S Zn -","- C16 H17 N O4 S Zn -","- C32 H34 N2 O8 S2 Zn2 -","2","1","NG2495","You, Jun; Liu, Bo; Chen, Yan-Qiong; Xiao, Cui; Zhai, Duo-Qi","catena-Poly[[(dimethyl sulfoxide-κO)zinc(II)]-μ-(E)-2-[(2-oxido-1-naphthyl)methyleneamino]propanoato-κ^4^O^2^,N,O^1^:O^1'^]","Acta Crystallographica Section E","2008","64","10","m1338","","10.1107/S1600536808030614","","","0.71073","MoKα","","0.026","0.024","","","0.0551","0.0561","","","","","","1.064","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219697","11.925","0.01","5.826","0.005","17.787","0.015","90","","105.629","0.01","90","","1190.1","1.7","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R)-1,2-Diphenylethane-1,2-diyl diisonicotinate monohydrate","","- C26 H22 N2 O5 -","- C26 H22 N2 O5 -","- C52 H44 N4 O10 -","2","1","SG2251","Yan, Jiang; Qi, Meng; Haitao, Xi; Xiaoqiang, Sun; Xin, Wang","1,2-Diphenylethane-1,2-diyl diisonicotinate monohydrate","Acta Crystallographica Section E","2008","64","10","o1992","","10.1107/S1600536808022484","","","0.71073","MoKα","","0.0666","0.0456","","","0.0834","0.0863","","","","","","1.104","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2219736","6.071","0.0007","9.3703","0.0011","9.3002","0.001","90","","100.013","0.005","90","","521","0.1","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","WW2125","Lechner, Marie-Charlotte; Aubert, Emmanuel; Guichard, Gilles; Didierjean, Claude","tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate","Acta Crystallographica Section E","2008","64","10","o2039","","10.1107/S1600536808030651","","","0.7107","MoKα","","","0.0523","","","","0.102","","","","","","1.202","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219743","11.166","0.002","7.1917","0.0014","11.46","0.002","90","","115.473","0.003","90","","830.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-Ethyl 2-[(S~s~)-benzylsulfinylamino]-3,3-dimethylbutanoate","","- C15 H23 N O3 S -","- C15 H23 N O3 S -","- C30 H46 N2 O6 S2 -","2","1","ZL2133","Zheng, Wei; Sun, Xun; Sun, Jie; Wei, Bang-Guo","(2S)-Ethyl 2-[(S~s~)-benzylsulfinylamino]-3,3-dimethylbutanoate","Acta Crystallographica Section E","2008","64","10","o1933","","10.1107/S1600536808028717","","","0.71073","MoKα","","0.0644","0.0545","","","0.1279","0.1336","","","","","","0.974","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219788","11.379","0.0004","10.5993","0.0003","11.9596","0.0002","90","","108.225","0.002","90","","1370.08","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[4-Acetyl-5-(3-methoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide","","- C13 H15 N3 O3 S -","- C13 H15 N3 O3 S -","- C52 H60 N12 O12 S4 -","4","2","BT2802","Aridoss, G.; Amirthaganesan, S.; Velmurugan, D.; Kim, S. H.; Jeong, Y. T.","N-[4-Acetyl-5-(3-methoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide","Acta Crystallographica Section E","2008","64","11","o2096","","10.1107/S1600536808032108","","","0.71073","MoKα","","0.0674","0.0416","","","0.0927","0.1091","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219796","8.169","0.0001","12.2369","0.0002","25.6945","0.0004","90","","93.652","0.001","90","","2563.29","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H- cyclopenta[a]phenanthrene-3,7-diol","","- C29 H50 O2 -","- C29 H50 O2 -","- C116 H200 O8 -","4","2","BT2810","Najmuldeen, Ibrahim A.; Hadi, Abdul Hamid Abdul; Awang, Khalijah; Mohamad, Khalit; Ng, Seik Weng","17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol from Chisocheton tomentosus (Meliaceae)","Acta Crystallographica Section E","2008","64","11","o2163","","10.1107/S1600536808033163","","","0.71073","MoKα","","0.0714","0.0604","","","0.1585","0.1716","","","","","","1.109","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219814","5.267","0.003","6.599","0.004","16.755","0.009","90","","90.09","0.017","90","","582.4","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Cyclohexyl-3-fluorobenzamide","","- C13 H16 F N O -","- C13 H16 F N O -","- C26 H32 F2 N2 O2 -","2","1","CI2689","Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Flörke, Ulrich","N-Cyclohexyl-3-fluorobenzamide","Acta Crystallographica Section E","2008","64","11","o2209","","10.1107/S1600536808034478","","","0.71073","MoKα","","0.0378","0.0354","","","0.0962","0.0981","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219870","11.1268","0.0008","6.3163","0.0005","11.8697","0.0008","90","","94.084","0.001","90","","832.09","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8,9-Isopropylidenedioxy-3-p-tolyl-1,6-dioxa-3-azaspiro[4.5]decane-2,10-dione","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","HB2819","Ling, Chun-Sheng; Wu, Qiang; Li, Shan-Shan","8,9-Isopropylidenedioxy-3-p-tolyl-1,6-dioxa-3-azaspiro[4.5]decane-2,10-dione","Acta Crystallographica Section E","2008","64","11","o2181","","10.1107/S1600536808034259","","","0.71073","MoKα","","0.0513","0.0343","","","0.0699","0.0753","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219934","5.1804","0.0006","6.5309","0.0008","16.6522","0.0019","90","","91.336","0.006","90","","563.24","0.11","91","2","91","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-fluorobenzamide","","- C13 H16 F N O -","- C13 H16 F N O -","- C26 H32 F2 N2 O2 -","2","1","LH2713","Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Simpson, Jim; Stanley, Roderick G.","N-Cyclohexyl-2-fluorobenzamide","Acta Crystallographica Section E","2008","64","11","o2187","","10.1107/S1600536808034090","","","0.71073","MoKα","","0.0431","0.0355","","","0.0972","0.1137","","","","","","1.117","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219986","9.2831","0.0011","18.971","0.002","16.3868","0.0019","90","","95.543","0.002","90","","2872.4","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(4-aminobenzoato-κO)triphenylantimony(V)","","- C32 H27 N2 O4 Sb -","- C32 H27 N2 O4 Sb -","- C128 H108 N8 O16 Sb4 -","4","2","SG2267","Wen, Liyuan; Yin, Handong; Wang, Daqi; Cui, Liansheng; Yang, Minglei","Bis(4-aminobenzoato-κO)triphenylantimony(V)","Acta Crystallographica Section E","2008","64","11","m1426","","10.1107/S1600536808032844","","","0.71073","MoKα","","0.0538","0.0399","","","0.0894","0.0985","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220026","8.28","0.002","6.644","0.002","13.1535","0.0012","90","","102.12","0.02","90","","707.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-1,4,5,6,7,8-hexahydroanthracene- 1,4-dione‒1,4,5,6,7-pentahydroxy-2-methoxy-7-methyl-5,6,7,8,9,10- hexahydroanthracene-9,10-dione","","- C16 H16 O8 -","- C16 H16 O8 -","- C32 H32 O16 -","2","1","XU2453","Chen, Shao-Yuan; Huang, Chao; Zhang, Chu-Long; Chen, Yu-Zhe; Lin, Fu-Cheng","Bostrycin","Acta Crystallographica Section E","2008","64","11","o2226","","10.1107/S1600536808032030","","","0.71069","MoKα","","0.0425","0.0347","","","0.0954","0.1045","","","","","","1.077","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220055","13.3957","0.0007","5.7366","0.0003","13.3956","0.0007","90","","115.541","0.001","90","","928.8","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-(4-Bromo-phenoxy)-3-isopropyl-5,6,7,8-tetrahydro -benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C38 H38 Br2 N4 O4 S2 -","2","1","AT2674","Wang, Hong-Mei; Chen, Li-Li; Hu, Ting; Zeng, Xiao-Hua","2-(4-Bromophenoxy)-3-isopropyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2008","64","12","o2404","","10.1107/S160053680803732X","","","0.71073","MoKα","","0.0955","0.0665","","","0.1702","0.2037","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220067","12.228","0.002","9.836","0.0016","26.667","0.005","90","","95.58","0.03","90","","3192.2","1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Desoxy-4β-[(5-methoxy-1H-indol-3-yl)oxalylamino]podophyllotoxin methanol solvate","","- C34 H34 N2 O11 -","- C34 H34 N2 O11 -","- C136 H136 N8 O44 -","4","2","BH2197","Feng, Min; Zhao, Ming; Zhang, Jingze; Yang, Zaixin; Chen, Hong","4-Desoxy-4β-[(5-methoxy-1H-indol-3-yl)oxalylamino]podophyllotoxin methanol solvate","Acta Crystallographica Section E","2008","64","12","o2339","","10.1107/S1600536808035319","","","0.71073","MoKα","","0.054","0.047","","","0.1207","0.1265","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220104","9.7638","0.0003","11.1418","0.0004","15.4496","0.0006","90","","90.266","0.001","90","","1680.69","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Naphthalene-2,3-diylbis[(2-thienyl)methanone]","","- C20 H12 O2 S2 -","- C20 H12 O2 S2 -","- C80 H48 O8 S8 -","4","2","CI2690","Thenmozhi, S.; SubbiahPandi, A.; Ranjith, S.; Clement, J. Arul; MohanaKrishnan, A. K.","Naphthalene-2,3-diylbis[(2-thienyl)methanone]","Acta Crystallographica Section E","2008","64","12","o2432","","10.1107/S1600536808038701","","","0.71073","MoKα","","0.0642","0.0441","","","0.099","0.1119","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220114","7.4074","0.0001","13.8989","0.0002","8.0546","0.0001","90","","106.553","0.001","90","","794.892","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Tetraethylammonium L-tartarate dihydrate","","- C12 H29 N O8 -","- C12 H29 N O8 -","- C24 H58 N2 O16 -","2","1","CI2709","Rahman, Mohd Basyaruddin Abdul; Jumbri, Khairulazhar; Sirat, Kamaliah; Kia, Reza; Fun, Hoong-Kun","Tetraethylammonium L-tartarate dihydrate","Acta Crystallographica Section E","2008","64","12","o2343","","10.1107/S1600536808036969","","","0.71073","MoKα","","0.0426","0.0371","","","0.0886","0.0922","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220121","7.3783","0.0014","23.878","0.005","7.4371","0.0014","90","","90.775","0.003","90","","1310.1","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitro-N-(8-quinolyl)benzamide","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","2","CI2717","Lei, Gang; Jing, Lin-Hai; Zhou, Li","3-Nitro-N-(8-quinolyl)benzamide","Acta Crystallographica Section E","2008","64","12","o2393","","10.1107/S1600536808037811","","","0.71073","MoKα","","0.0406","0.0374","","","0.0728","0.0747","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220122","6.59","0.0004","15.165","0.0008","10.749","0.0006","90","","95.244","0.009","90","","1069.73","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[(μ~3~-5,6-dicarboxybicyclo[2.2.2]oct-7-ene-2,3-dicarboxylato)(1,10- phenanthroline)copper(II)] monohydrate]","","- C24 H20 Cu N2 O9 -","- C24 H20 Cu N2 O9 -","- C48 H40 Cu2 N4 O18 -","2","1","CI2718","Liu, Yun-Yu; Zhuo, Yu-Jiang; Li, Xing-Qi; Ma, Ji-Cheng","Poly[[(μ~3~-5,6-dicarboxybicyclo[2.2.2]oct-7-ene-2,3-dicarboxylato)(1,10-phenanthroline)copper(II)] monohydrate]","Acta Crystallographica Section E","2008","64","12","m1590","","10.1107/S1600536808037999","","","0.71069","MoKα","","0.0277","0.0263","","","0.064","0.0648","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220211","8.7206","0.0017","11.972","0.002","12.743","0.003","90","","107.65","0.03","90","","1267.8","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Nitro-N-(4-pyridinio)benzenesulfonamidate monohydrate","","- C11 H11 N3 O5 S -","- C11 H11 N3 O5 S -","- C44 H44 N12 O20 S4 -","4","2","HG2431","Hu, Liang-Bin; Chen, Jian; Liu, Chang-Zhong","2-Nitro-N-(4-pyridinio)benzenesulfonamidate monohydrate","Acta Crystallographica Section E","2008","64","12","o2277","","10.1107/S1600536808035526","","","0.71073","MoKα","","0.0411","0.0317","","","0.0781","0.0896","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220264","9.0193","0.0014","6.5084","0.0011","14.5965","0.0015","90","","91.757","0.001","90","","856.4","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butylammonium 2,3,4,5-tetrachloro-6-methoxycarbonylbenzoate","","- C13 H15 Cl4 N O4 -","- C13 H15 Cl4 N O4 -","- C26 H30 Cl8 N2 O8 -","2","1","LH2693","Li, Jian; Liang, Zu-Pei; Lin, Cui-Hua; Tai, Xi-Shi","tert-Butylammonium 2,3,4,5-tetrachloro-6-methoxycarbonylbenzoate","Acta Crystallographica Section E","2008","64","12","o2318","","10.1107/S1600536808036398","","","0.71073","MoKα","","0.0552","0.0436","","","0.1045","0.1156","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220286","11.6111","0.0015","8.6154","0.001","16.481","0.002","90","","97.807","0.012","90","","1633.4","0.3","162","2","162","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S~p~)-1-Diphenylphosphanyl-2-{(S)-[2- (diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene","","- C41 H34 Fe O P2 -","- C41 H34 Fe O P2 -","- C82 H68 Fe2 O2 P4 -","2","1","NC2123","Bats, Jan W.; Doppiu, Angelino; Rivas Nass, Andreas; Hashmi, A. Stephen K.","(S~p~)-1-Diphenylphosphanyl-2-{(S)-[2-(diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene","Acta Crystallographica Section E","2008","64","12","m1585","","10.1107/S1600536808038294","","","0.71073","MoKα","","0.0509","0.0377","","","0.0758","0.0831","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220345","8.9787","0.0007","6.785","0.0005","14.7148","0.0011","90","","95.362","0.005","90","","892.51","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-[(2R,3S)-2-Ammonio-3-hydroxy-3-(4-\ nitrophenyl)propanamido]-4-methylpentanoate monohydrate","","- C15 H23 N3 O7 -","- C15 H23 N3 O7 -","- C30 H46 N6 O14 -","2","1","SI2128","Yang, Kang-Hui; Li, Xun; Gong, Jian-Zhi; Fang, Hao; Xu, Wen-Fang","(S)-2-[(2R,3S)-2-Ammonio-3-hydroxy-3-(4-nitrophenyl)propanamido]-4-methylpentanoate monohydrate","Acta Crystallographica Section E","2008","64","12","o2447","","10.1107/S1600536808039056","","","0.71073","MoKα","","0.0536","0.0408","","","0.0973","0.1045","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220375","14.6499","0.0014","10.0096","0.001","15.4029","0.0015","90","","113.573","0.002","90","","2070.2","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl disulfide tetrahydrofuran solvate","","- C32 H46 O19 S2 -","- C32 H46 O19 S2 -","- C64 H92 O38 S4 -","2","1","TK2332","Brito, Iván; Szilágyi, Lászlo; López-Rodríguez, Matías","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl disulfide tetrahydrofuran solvate","Acta Crystallographica Section E","2008","64","12","o2472","o2473","10.1107/S1600536808039494","","","0.71073","MoKα","","0.078","0.054","","","","0.151","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220377","10.6111","0.0004","6.1134","0.0002","13.4961","0.0004","90","","111.934","0.002","90","","812.12","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl N'-(1-methyl-1H-indol-3-ylmethylidene)hydrazinecarbodithioate","","- C18 H17 N3 S2 -","- C18 H17 N3 S2 -","- C36 H34 N6 S4 -","2","1","TK2334","Khaledi, Hamid; Mohd Ali, Hapipah; Ng, Seik Weng","Benzyl N'-(1-methyl-1H-indol-3-ylmethylidene)hydrazinecarbodithioate","Acta Crystallographica Section E","2008","64","12","o2482","","10.1107/S1600536808039330","","","0.71073","MoKα","","0.049","0.037","","","0.082","0.087","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220405","6.677","0.0013","8.451","0.0017","16.366","0.003","90","","100.05","0.03","90","","909.3","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethylamine‒ (R)-2-hydroxybutanedioic acid (1/1)","","- C15 H17 F6 N O5 -","- C15 H17 F6 N O5 -","- C30 H34 F12 N2 O10 -","2","1","AT2692","Zhu, Hai-Bin; Ji, Jun-Feng; Wang, Hai","(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethylamine‒(R)-2-hydroxybutanedioic acid (1/1)","Acta Crystallographica Section E","2009","65","1","o197","","10.1107/S1600536808043201","","","0.71073","MoKα","","0.1025","0.0628","","","0.1305","0.1535","","","","","","1","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220406","9.249","0.005","9.35","0.006","21.82","0.02","90","","99.122","0.013","90","","1863","2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3'-Dibromo-4,4'-[(1R,2R)-cyclohexane-1,2- diyldiimino]dipent-3-en-2-one","","- C16 H24 Br2 N2 O2 -","- C16 H24 Br2 N2 O2 -","- C64 H96 Br8 N8 O8 -","4","2","AT2694","Zhang, Yun-Qian; Zhang, Qi-Long; Zhu, Bi-Xue","3,3'-Dibromo-4,4'-[(1R,2R)-cyclohexane-1,2-diyldiimino]dipent-3-en-2-one","Acta Crystallographica Section E","2009","65","1","o203","o204","10.1107/S1600536808043213","","","0.71073","MoKα","","0.1122","0.0418","","","0.0833","0.0957","","","","","","0.971","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220486","7.4724","0.0002","19.9721","0.0005","10.2726","0.0003","90","","92.481","0.001","90","","1531.64","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Tetraethylammonium L-malate 1.36-hydrate","","- C12 H27.72 N O6.36 -","- C12 H27.721 N O6.3605 -","- C48 H110.884 N4 O25.442 -","4","2","FJ2170","Abdul Rahman, Mohd Basyaruddin; Jumbri, Khairulazhar; Sirat, Kamaliah; Kia, Reza; Fun, Hoong-Kun","Tetraethylammonium L-malate 1.36-hydrate","Acta Crystallographica Section E","2009","65","1","o49","o50","10.1107/S1600536808040348","","","0.71073","MoKα","","0.0485","0.0413","","","0.0991","0.1031","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220499","7.604","0.002","6.574","0.002","11.323","0.004","90","","91.211","0.007","90","","565.9","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,4S,5R)-4-Hydroxy-3-methyl-5-[(2S,3R)-3- methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3H)-one","","- C11 H18 O3 -","- C11 H18 O3 -","- C22 H36 O6 -","2","1","HB2861","Gille, Annika; Bläser, Dieter; Boese, Roland; Preut, Hans; Hiersemann, Martin","(3S,4S,5R)-4-Hydroxy-3-methyl-5-[(2S,3R)-3-methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3H)-one","Acta Crystallographica Section E","2009","65","1","o154","","10.1107/S1600536808042414","","","0.71073","MoKα","","0.0858","0.054","","","0.0873","0.0977","","","","","","0.981","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220511","7.515","0.004","7.441","0.003","9.019","0.002","90","","102.87","0.03","90","","491.7","0.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","2,5-xylidinium chloride monohydrate","2,5-Dimethylanilinium chloride monohydrate","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C16 H28 Cl2 N2 O2 -","2","1","HB2876","Smirani, Wajda; Rzaigui, Mohamed","2,5-Dimethylanilinium chloride monohydrate","Acta Crystallographica Section E","2009","65","1","o83","","10.1107/S1600536808041287","","","0.71073","Mokα","","0.0328","0.0281","","","0.0781","0.0814","","","","","","1.099","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2220541","6.1936","0.0009","4.6002","0.0007","23.252","0.003","90","","95.699","0.007","90","","659.22","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C26 H22 Cl2 N4 O6 S2 -","2","1","HK2593","Chohan, Zahid H.; Shad, Hazoor A.; Tahir, M. Nawaz","4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]benzenesulfonamide","Acta Crystallographica Section E","2009","65","1","o57","","10.1107/S1600536808040853","","","0.71073","MoKα","","0.1263","0.0555","","","0.094","0.1321","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220658","7.8238","0.001","5.9033","0.0007","13.711","0.003","90","","96.597","0.014","90","","629.07","0.18","293","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,7aR)-7-Methoxy-7a-methyl-3-phenyl-2,3- dihydropyrrolo[2,1-b]oxazol-5(7aH)-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","WN2289","Zheng, Jian-Feng; Jiang, Li-Jiao; Ye, Jian-Liang","(3S,7aR)-7-Methoxy-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b]oxazol-5(7aH)-one","Acta Crystallographica Section E","2009","65","1","o27","","10.1107/S1600536808040105","","","0.71073","MoKα","","0.0925","0.0448","","","0.0681","0.0758","","","","","","0.891","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220705","10.3088","0.0002","10.2844","0.0002","10.3218","0.0003","90","","113.14","0.01","90","","1006.27","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","12-(3-hydroxy,5-hydroxymethyl)phenoxy dihydroartemisinin","5-{[(3R,5aS,6R,8aS,9R,10S,12R, 12aR)-3,6,9-Trimethylperhydro-3,12-epoxy-1,2-dioxepino[4,3- i]isochromen-10-yl]oxymethyl}benzene-1,3-diol","","- C22 H30 O7 -","- C22 H30 O7 -","- C44 H60 O14 -","2","1","BI2336","Gul, Waseem; Carvalho, Paulo; Galal, Ahmed; Avery, Mitchell A.; El Sohly, Mahmoud A.","5-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-Trimethylperhydro-3,12-epoxy-1,2-dioxepino[4,3-i]isochromen-10-yl]oxymethyl}benzene-1,3-diol","Acta Crystallographica Section E","2009","65","2","o358","o359","10.1107/S1600536809002050","","","1.54178","CuKα","","0.0259","0.0258","","","0.0687","0.0688","","","","","","1.078","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220709","6.1353","0.0001","12.0715","0.0002","9.4525","0.0002","90","","103.549","0.0018","90","","680.59","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S)-1,1-Dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane","","- C14 H10 Cl4 -","- C14 H10 Cl4 -","- C28 H20 Cl8 -","2","1","BQ2116","Cantillana, Tatiana; Eriksson, Lars","(2S)-1,1-Dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane","Acta Crystallographica Section E","2009","65","2","o297","","10.1107/S160053680804405X","","","0.71073","MoKα","","0.0298","0.0259","","","0.0589","0.0598","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220718","5.8373","0.0004","15.3294","0.0011","14.6516","0.001","90","","94.312","0.001","90","","1307.35","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-3-[(E)-3-Phenylallylidene]indolin-2-one","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","2","BT2843","Zhang, Hongming; Akubathini, Shashidhar Kumar; Ankati, Haribabu; Biehl, Ed","(Z)-3-[(E)-3-Phenylallylidene]indolin-2-one","Acta Crystallographica Section E","2009","65","2","o363","","10.1107/S1600536809002037","","","0.71073","MoKα","","0.083","0.057","","","0.12","0.132","","","","","","1.113","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220719","7.2012","0.0002","8.187","0.0001","12.9734","0.0003","90","","105.05","0.002","90","","738.63","0.03","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-N-(3,4,5-trimethoxybenzylidene)aniline","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C32 H32 Cl2 N2 O6 -","2","1","BT2844","Dehno Khalaji, Aliakbar; Asghari, Jilla; Fejfarová, Karla; Dušek, Michal","4-Chloro-N-(3,4,5-trimethoxybenzylidene)aniline","Acta Crystallographica Section E","2009","65","2","o253","","10.1107/S1600536809000300","","","1.54184","CuKα","","0.049","0.0453","","","0.1079","0.1092","","","","","","1.93","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220748","7.2761","0.0016","10.467","0.002","12.894","0.003","90","","102.768","0.002","90","","957.7","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[aquatrimethyltin(IV)]-{[trimethyltin(IV)]-μ~3~-thiophene- 2,5-dicarboxylato}]","","- C12 H22 O5 S Sn2 -","- C12 H22 O5 S Sn2 -","- C24 H44 O10 S2 Sn4 -","2","1","CV2496","Yang, Sheng-Xiang; Li, Yue-Zhong; Jiang, Kun","catena-Poly[[aquatrimethyltin(IV)]-{[trimethyltin(IV)]-μ~3~-thiophene-2,5-dicarboxylato}]","Acta Crystallographica Section E","2009","65","2","m137","","10.1107/S1600536808043614","","","0.71073","MoKα","","0.0319","0.0275","","","0.0635","0.0665","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220757","6.8464","0.0001","11.9753","0.0002","7.0005","0.0001","90","","102.169","0.001","90","","561.058","0.015","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4-Methylbenzoyl)hydrazono]propionic acid monohydrate","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","1","CV2513","Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng","2-[(4-Methylbenzoyl)hydrazono]propionic acid monohydrate","Acta Crystallographica Section E","2009","65","2","o419","","10.1107/S1600536809003067","","","0.71073","MoKα","","0.036","0.03","","","0.0786","0.0828","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220770","4.9334","0.0004","11.6287","0.0009","15.3208","0.0012","90","","91.43","0.002","90","","878.67","0.12","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-({3-[(2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-2,3,4,5- tetrahydrofuran-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1- yl}methyl)isoindoline-1,3-dione","","- C19 H19 N3 O7 -","- C19 H19 N3 O7 -","- C38 H38 N6 O14 -","2","1","FB2127","Bartholomä, Mark Daniel; Ouellette, Wayne; Zubieta, Jon","2-({3-[(2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-2,3,4,5-tetrahydrofuran-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}methyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2009","65","2","o432","o433","10.1107/S1600536809003365","","","0.71073","MoKα","","0.0506","0.0446","","","0.0941","0.0971","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220818","4.236","0.0008","16.18","0.003","8.489","0.0017","90","","95.8","0.03","90","","578.84","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-ethylamino-3-nitrobenzoate","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","1","HK2598","Li, Hao-Yuan; Liu, Bo-Nian; Tang, Shi-Gui; Guo, Cheng","Ethyl 4-ethylamino-3-nitrobenzoate","Acta Crystallographica Section E","2009","65","2","o227","","10.1107/S1600536808043602","","","0.71073","MoKα","","0.0907","0.0765","","","0.162","0.1726","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220866","5.6329","0.0001","7.8943","0.0002","13.3182","0.0003","90","","99.9545","0.0009","90","","583.32","0.02","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S)-1,2-O-Benzylidene-α-D-glucurono-6,3-lactone","","- C13 H12 O6 -","- C13 H12 O6 -","- C26 H24 O12 -","2","1","LH2760","Jenkinson, Sarah F.; Best, Daniel; Weymouth-Wilson, Alexander C.; Clarkson, Robert A.; Fleet, George W. J.; Watkin, David J.","(1S)-1,2-O-Benzylidene-α-D-glucurono-6,3-lactone","Acta Crystallographica Section E","2009","65","2","o414","o415","10.1107/S1600536809002876","","","0.71073","MoKα","","0.0291","0.0271","","0.0676","0.0664","0.0676","","","","","","0.9573","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220902","6.721","0.004","7.751","0.003","14.119","0.004","90","","91.46","0.03","90","","735.3","0.6","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[4-(β-D-Allopyranosyloxy)benzylidene]methylamine","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C28 H38 N2 O12 -","2","1","RZ2284","Lv, Shi-Ming; Zheng, Lei; Zhao, Hui; Li, Ying; Yin, Shu-Fan","N-[4-(β-D-Allopyranosyloxy)benzylidene]methylamine","Acta Crystallographica Section E","2009","65","2","o290","","10.1107/S1600536809000944","","","0.71073","MoKα","","0.0403","0.0344","","","0.0897","0.093","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220928","8.8816","0.0013","17.42","0.002","11.3624","0.0017","90","","100.765","0.003","90","","1727","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N'-(4-Pyridylmethylene)-4-(8-quinolyloxy)butanohydrazide 0.25-hydrate","","- C19 H18.5 N4 O2.25 -","- C19 H18.5 N4 O2.25 -","- C76 H74 N16 O9 -","4","2","TK2355","Chen, Min-E; Li, Jia-Ming","(E)-N'-(4-Pyridylmethylene)-4-(8-quinolyloxy)butanohydrazide 0.25-hydrate","Acta Crystallographica Section E","2009","65","2","o295","","10.1107/S160053680900110X","","","0.71073","MoKα","","0.105","0.058","","","0.132","0.162","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220945","10.3873","0.001","25.773","0.002","10.4127","0.001","90","","97.269","0.002","90","","2765.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-N-[2-(3,5-Di-tert-butyl-2- hydroxybenzylideneamino)cyclohexyl]-4-methylbenzenesulfonamide","","- C28 H40 N2 O3 S -","- C28 H40 N2 O3 S -","- C112 H160 N8 O12 S4 -","4","2","WN2301","Wu, Jincai; Wang, Lei; Pan, Xiaobo; Yao, Lihui","(E)-N-[2-(3,5-Di-tert-butyl-2-hydroxybenzylideneamino)cyclohexyl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2009","65","2","o255","","10.1107/S1600536808043870","","","0.71073","MoKα","","0.068","0.0454","","","0.1061","0.1188","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220949","7.1951","0.0004","8.3722","0.0005","13.2882","0.0008","90","","104.413","0.003","90","","775.27","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Bromo-N-(3,4,5-trimethoxybenzylidene)aniline","","- C16 H16 Br N O3 -","- C16 H16 Br N O3 -","- C32 H32 Br2 N2 O6 -","2","1","WN2308","Khalaji, Aliakbar Dehno; Weil, Matthias; Gotoh, Kazuma; Ishida, Hiroyuki","4-Bromo-N-(3,4,5-trimethoxybenzylidene)aniline","Acta Crystallographica Section E","2009","65","2","o436","","10.1107/S1600536809003432","","","0.71073","MoKα","","0.0304","0.0246","","","0.063","0.065","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220950","9.1362","0.0002","12.0126","0.0002","13.2526","0.0003","90","","90.757","0.001","90","","1454.34","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1H,3H-Imidazolium (2R,5S)-camphor-10-sulfonate","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","WW2136","Abdul Rahman, Mohd Basyaruddin; Omar, Emmy Maryati; Ng, Shie Ling; Kia, Reza; Fun, Hoong-Kun","1H,3H-Imidazolium (R,S)-camphor-10-sulfonate","Acta Crystallographica Section E","2009","65","2","o224","o225","10.1107/S1600536808043742","","","0.71073","MoKα","","0.032","0.0306","","","0.0808","0.0826","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220976","11","0.005","7.712","0.003","13.213","0.004","90","","92.08","0.02","90","","1120.1","0.8","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","E-[4-(β-D-Allopyranosyloxy)phenyl]-1-(4-chlorophenyl)prop-2-enone ethanol solvate","","- C23 H27 Cl O8 -","- C23 H27 Cl O8 -","- C46 H54 Cl2 O16 -","2","1","BH2216","Yang, Cong-ling; Luo, Hua-ling; Yin, Xiu-juan; Li, Ying; Yin, Shu-fan","E-[4-(β-D-Allopyranosyloxy)phenyl]-1-(4-chlorophenyl)prop-2-enone ethanol solvate","Acta Crystallographica Section E","2009","65","3","o634","","10.1107/S1600536809006424","","","0.71073","MoKα","","0.0666","0.0479","","","0.127","0.1427","","","","","","1.102","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220980","11.2735","0.0006","16.8015","0.0009","11.3765","0.0006","90","","111.934","0.003","90","","1998.86","0.19","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Salvinoric Acid","(2S,4aR,6aR,7R,9S,10aS,10bR)- 7-Carboxy-2-(3-furyl)-6a,10b-dimethyl-4,10- dioxoperhydrobenzo[f]isochromen-9-yl acetate","","- C22 H26 O8 -","- C22 H26 O8 -","- C88 H104 O32 -","4","2","BI2338","Carvalho, Paulo; Kutrzeba, Lukasz M.; Zjawiony, Jordan K.; Avery, Mitchell A.","(2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carboxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxoperhydrobenzo[f]isochromen-9-yl acetate","Acta Crystallographica Section E","2009","65","3","o471","o472","10.1107/S1600536809002074","","","1.54178","CuKα","","0.0319","0.0285","","","0.0662","0.0741","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221019","10.0877","0.0009","14.275","0.003","11.4503","0.0009","90","","109.651","0.008","90","","1552.8","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2,6-Diisopropylphenyl)(2-thienylmethylene)amine","","- C17 H21 N S -","- C17 H21 N S -","- C68 H84 N4 S4 -","4","2","BT2882","Imhof, Wolfgang","(2,6-Diisopropylphenyl)(2-thienylmethylene)amine","Acta Crystallographica Section E","2009","65","3","o593","","10.1107/S1600536809006291","","","0.71073","MoKα","","0.0293","0.0282","","","0.0775","0.0793","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221102","7.1412","0.0008","8.0241","0.0009","11.051","0.0013","90","","105.789","0.002","90","","609.35","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","420.0(10)","1-(2,6-Dichlorophenyl)indolin-2-one","","- C14 H9 Cl2 N O -","- C14 H9 Cl2 N O -","- C28 H18 Cl4 N2 O2 -","2","1","HK2625","Hanif, Muhammad; Rafiq, Muhammad; Saleem, Muhammad; Qadeer, Ghulam; Wong, Wai-Yeung","1-(2,6-Dichlorophenyl)indolin-2-one","Acta Crystallographica Section E","2009","65","3","o583","","10.1107/S1600536809005807","","","0.71073","MoKα","","0.0213","0.021","","","0.0592","0.0595","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221119","11.4462","0.0005","7.5998","0.0003","14.3286","0.0006","90","","102.055","0.002","90","","1218.94","0.09","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(3-Hydroxypropyl) lithocholamide","3α-Hydroxy-N-(3-hydroxypropyl)-5β-cholan-24-amide","","- C27 H47 N O3 -","- C27 H47 N O3 -","- C54 H94 N2 O6 -","2","1","IS2393","Valkonen, Arto; Koivukorpi, Juha; Lahtinen, Manu; Kolehmainen, Erkki","3α-Hydroxy-N-(3-hydroxypropyl)-5β-cholan-24-amide","Acta Crystallographica Section E","2009","65","3","o650","","10.1107/S1600536809006862","","","0.71073","MoKα","","0.1093","0.0673","","","0.1184","0.1347","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221121","11.686","0.005","5.5291","0.0015","24.132","0.01","90","","96.36","0.05","90","","1549.6","1","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S~P~,S~P~)-(-)-(E)-1,2-Bis(methylphenylphosphinoyl)ethene","","- C16 H18 O2 P2 -","- C16 H18 O2 P2 -","- C64 H72 O8 P8 -","4","2","JH2072","Butenschön, Holger; Vinokurov, Nikolai; Baumgardt, Ingmar; Pietrusiewicz, K. Michal","(S~P~,S~P~)-(‒)-(E)-1,2-Bis(methylphenylphosphinoyl)ethene","Acta Crystallographica Section E","2009","65","3","o517","","10.1107/S1600536809004632","","","0.71073","MoKα","","0.0562","0.0408","","","0.0924","0.0966","","","","","","0.994","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221136","6.0641","0.0003","13.4016","0.0007","6.8287","0.0003","90","","102.596","0.002","90","","541.6","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-Deoxy-2,3-O-isopropylidene-2,4-di-C-methyl-β-L-arabinose","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","LH2774","Booth, K. Victoria; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J.","2-Deoxy-2,3-O-isopropylidene-2,4-di-C-methyl-β-L-arabinose","Acta Crystallographica Section E","2009","65","3","o570","","10.1107/S1600536809005777","","","0.71073","MoKα","","0.0335","0.0302","","0.0726","0.0704","0.0726","","","","","","0.977","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221137","8.379","0.002","12.109","0.0013","14.711","0.004","90","","91.683","0.004","90","","1492","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1-Butyl-1,4-diazabicyclo[2.2.2]octon-1-ium-κN^4^)trichloridocobalt(II)","","- C10 H21 Cl3 Co N2 -","- C10 H21 Cl3 Co N2 -","- C40 H84 Cl12 Co4 N8 -","4","2","LH2775","Luachan, Sanchai; Yotnoi, Bunlawee; Prior, Timothy J.; Rujiwatra, Apinpus","(1-Butyl-1,4-diazabicyclo[2.2.2]octon-1-ium-κN^4^)trichloridocobalt(II)","Acta Crystallographica Section E","2009","65","3","m321","m322","10.1107/S1600536809005893","","","0.6943","synchrotron","","0.0631","0.0446","","","0.0897","0.0975","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221139","8.0587","0.0003","7.3797","0.0003","10.9785","0.0005","90","","96.274","0.0018","90","","648.99","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5R,6R)-Methyl 4-hydroxy-4,5-isopropylidenedioxy-4,5,6,7-tetrahydro-1,2,3- triazolo[1,5-a]pyridine-3-carboxylate","","- C11 H15 N3 O5 -","- C11 H15 N3 O5 -","- C22 H30 N6 O10 -","2","1","LH2778","Jenkinson, Sarah F.; Fenton, Jennifer R.; Booth, K. Victoria; Fleet, George W. J.; Watkin, David J.","(4S,5R,6R)-Methyl 4-hydroxy-4,5-isopropylidenedioxy-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-a]pyridine-3-carboxylate","Acta Crystallographica Section E","2009","65","3","o610","o611","10.1107/S1600536809006357","","","0.71073","MoKα","","0.058","0.0368","","0.0815","0.0755","0.0815","","","","","","0.9645","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221154","11.8012","0.0012","6.0019","0.0005","13.7021","0.0011","90","","95.122","0.011","90","","966.64","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-1,2:5,6-Di-O-isopropylidene-α-D-ribo- hexofuranos-3-ulose O-benzyloxime","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C38 H50 N2 O12 -","2","1","NG2545","Burkhardt, Anja; Eriksson, Lars; Widmalm, Göran; Cumpstey, Ian","(Z)-1,2:5,6-Di-O-isopropylidene-α-D-ribo-hexofuranos-3-ulose O-benzyloxime","Acta Crystallographica Section E","2009","65","3","o633","","10.1107/S1600536809006333","","","0.71073","MoKα","","0.0653","0.0522","","","0.1234","0.1314","","","","","","0.994","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221231","9.3781","0.0006","6.1467","0.0004","10.574","0.0007","90","","115.232","0.002","90","","551.38","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-Dihydrospiro[carbazole-3(4H),2'-[1,3]dioxolane]","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C28 H30 N2 O4 -","2","1","YA2088","Bjerrum, Janni Vester; Ulven, Trond; Bond, Andrew D.","1,2-Dihydrospiro[carbazole-3(4H),2'-[1,3]dioxolane]","Acta Crystallographica Section E","2009","65","3","o579","","10.1107/S1600536809005558","","","0.71073","MoKα","","0.03","0.029","","","0.079","0.08","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221236","11.294","0.002","6.087","0.0012","16.129","0.003","90","","98.71","0.03","90","","1096","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","N-(2-Pyridylmethyleneamino)dehydroabietylamine","1-[(1R,4aS,10aR)-7-isopropyl-1,2,3,4,4a,9,10,10a- octahydrophenanthren-1-yl]-N-[(E)-2- pyridylmethyleneamino]methanamine","","- C26 H33 N2 -","- C26 H33 N2 -","- C52 H66 N4 -","2","1","AT2704","Wu, Yong; Rao, Xiao-Ping; Wang, Zong-De; Song, Zhan-Qian; Yao, Xu-Jie","N-(2-Pyridylmethyleneamino)dehydroabietylamine","Acta Crystallographica Section E","2009","65","4","o786","","10.1107/S1600536809009040","","","0.71073","MoKα","","0.1118","0.0635","","","0.1542","0.1883","","","","","","0.995","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221265","10.5797","0.0011","7.5876","0.0007","10.8741","0.0012","90","","105.516","0.003","90","","841.1","0.15","296","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,5S)-5-Benzyl-2,3-dimethyl-4-oxo-2-phenylimidazolidin-1-ium chloride","","- C18 H21 Cl N2 O -","- C18 H21 Cl N2 O -","- C36 H42 Cl2 N4 O2 -","2","1","BH2221","Zhang, Shuai; Wang, Yifeng; Li, Bailin; Zhang, Guangcun; Luo, Shuping","(2R,5S)-5-Benzyl-2,3-dimethyl-4-oxo-2-phenylimidazolidin-1-ium chloride","Acta Crystallographica Section E","2009","65","4","o888","","10.1107/S1600536809010460","","","0.71075","MoKα","","","0.0304","","","","0.073","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221266","8.156","0.003","12.005","0.005","13.475","0.005","90","","90.52","0.007","90","","1319.3","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3-hydroxyurs-28,13-olide","(1S*,2R*,4aS*,6aS*,6bR*,10S*, 12aR*,14aS*)-10-Hydroxy-1,2,6a,6b,9,9,12a- heptamethylperhydropicene-4a,14a-carbolactone","","- C30 H48 O3 -","- C30 H48 O3 -","- C60 H96 O6 -","2","1","BI2335","Ou-yang, Dan-Wei; Gao, Jian-Ping; Li, Qing-Shan; Guo, Jian-Ping","(1S*,2R*,4aS*,6aS*,6bR*,10S*,12aR*,14aS*)-10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethylperhydropicene-4a,14a-carbolactone","Acta Crystallographica Section E","2009","65","4","o753","","10.1107/S1600536809008253","","","0.71073","MoKα","","0.0609","0.0515","","","0.1306","0.1418","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221291","8.8326","0.0001","12.8977","0.0002","11.1555","0.0001","90","","110.777","0.001","90","","1188.19","0.03","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","8,14-secogammacera-7,14(27)-diene-3,21-dione","","- C27 H32 O9 -","- C27 H32 O9 -","- C54 H64 O18 -","2","1","BT2893","Mayanti, Tri; Supratman, Unang; Mukhtar, Mat Ropi; Awang, Khalijah; Ng, Seik Weng","Kokosanolide from the seed of Lansium domesticum Corr.","Acta Crystallographica Section E","2009","65","4","o750","","10.1107/S1600536809008009","","","0.71073","MoKα","","0.0311","0.0297","","","0.0806","0.0826","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221353","6.641","0.002","18.642","0.006","8.017","0.003","90","","103.797","0.004","90","","963.9","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11β,17aα-Dihydroxy-17aβ-methyl-D-homoandrosta-1,4-diene-3,17-dione monohydrate","","- C21 H30 O5 -","- C21 H30 O5 -","- C42 H60 O10 -","2","1","GK2193","Qiu, Ya; Chen, Ying; Xia, Peng","11β,17aα-Dihydroxy-17aβ-methyl-D-homoandrosta-1,4-diene-3,17-dione monohydrate","Acta Crystallographica Section E","2009","65","4","o935","","10.1107/S1600536809010770","","","0.71073","MoKα","","0.0532","0.042","","","0.0993","0.1044","","","","","","0.973","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221383","8.925","0.0018","4.796","0.001","12.109","0.002","90","","90.6","0.03","90","","518.29","0.17","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,5S)-2-(2-Thienyl)-1,3-dioxolane-4,5-dicarboxamide","","- C9 H10 N2 O4 S -","- C9 H10 N2 O4 S -","- C18 H20 N4 O8 S2 -","2","1","HK2628","Xu, Wei; Yang, Zheng; Li, Xin-Hua; Liu, Bo-Nian; Wang, De-Cai","(4S,5S)-2-(2-Thienyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2009","65","4","o764","","10.1107/S1600536809008368","","","0.71073","MoKα","","0.0458","0.0397","","","0.1172","0.1235","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221395","9.415","0.0019","14.458","0.003","9.617","0.0019","90","","111.14","0.03","90","","1221","0.5","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,5S)-2-(2-Bromophenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C11 H11 Br N2 O4 -","- C11 H11 Br N2 O4 -","- C44 H44 Br4 N8 O16 -","4","2","HK2643","Liu, Hua-quan; Wang, De-Cai; Xu, Wei; Yang, Zheng; Gai, Tao","(4S,5S)-2-(2-Bromophenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2009","65","4","o841","","10.1107/S1600536809010009","","","0.71073","MoKα","","0.1042","0.063","","","0.1558","0.1806","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221517","7.5602","0.0001","14.0125","0.0002","13.5609","0.0002","90","","95.172","0.001","90","","1430.76","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tripyridinium bis[tetrabromidoferrate(III)] bromide","","- C15 H18 Br9 Fe2 N3 -","- C15 H18 Br9 Fe2 N3 -","- C30 H36 Br18 Fe4 N6 -","2","1","TK2380","Ng, Seik Weng","Low-temperature rerefinement of nonmerohedrally twinned tripyridinium bis[tetrabromidoferrate(III)] bromide","Acta Crystallographica Section E","2009","65","4","m402","","10.1107/S1600536809007090","","","0.71073","MoKα","","0.046","0.043","","","0.104","0.106","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221538","10.9221","0.0002","7.5592","0.0001","23.347","0.0004","90","","98.465","0.001","90","","1906.58","0.05","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl (2'-hydroxybiphenyl-2-yloxy)acetate","","- C15 H14 O4 -","- C15 H14 O4 -","- C90 H84 O24 -","6","3","TK2406","Rabnawaz, Muhammad; Khan, Burhan; Shah, Muhammad Raza; Anis, Itrat; Ng, Seik Weng","Methyl (2'-hydroxybiphenyl-2-yloxy)acetate","Acta Crystallographica Section E","2009","65","4","o931","","10.1107/S1600536809011362","","","0.71073","MoKα","","0.036","0.031","","","0.084","0.09","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221581","13.2367","0.0007","5.7493","0.0003","13.4306","0.0007","90","","115.858","0.004","90","","919.76","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1- benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","AT2765","Zeng, Xiao-Hua; Deng, Shou-Heng; Qu, Yong-Nian; Wang, Hong-Mei","3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2009","65","5","o1142","o1143","10.1107/S1600536809014962","","","0.71073","MoKα","","0.066","0.0565","","","0.1347","0.1406","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221597","9.5869","0.0005","13.8761","0.0007","12.2124","0.0006","90","","106.896","0.002","90","","1554.47","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-(4-Chlorophenyl)-6-methoxy-2,2'-bipyridine-5-carbonitrile","4-(4-Chlorophenyl)-6-methoxy-2,2'-bipyridine-5-carbonitrile","","- C18 H12 Cl N3 O -","- C18 H12 Cl N3 O -","- C72 H48 Cl4 N12 O4 -","4","2","BT2899","Ramesh, P.; Sundaresan, S. S.; Thirumurugan, P.; Perumal, Paramasivan T.; Ponnuswamy, M. N.","4-(4-Chlorophenyl)-6-methoxy-2,2'-bipyridine-5-carbonitrile","Acta Crystallographica Section E","2009","65","5","o995","","10.1107/S1600536809012409","","","0.71073","MoKα","","0.086","0.0425","","","0.0916","0.1125","","","","","","0.995","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221612","15.068","0.0012","6.6801","0.0005","15.855","0.0012","90","","117.578","0.002","90","","1414.57","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-d][1,3]dioxol-5-yl)- 5-(4-bromophenyl)-2-phenylperhydropyrrolo[3,4-d]isoxazole-4,6-dione","","- C31 H29 Br N2 O7 -","- C31 H29 Br N2 O7 -","- C62 H58 Br2 N4 O14 -","2","1","BT2932","NizamMohideen, M.; Damodiran, M.; SubbiahPandi, A.; Perumal, P. T.","3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-2-phenylperhydropyrrolo[3,4-d]isoxazole-4,6-dione","Acta Crystallographica Section E","2009","65","5","o1156","","10.1107/S1600536809015104","","","0.71073","MoKα","","0.0861","0.0421","","","0.1049","0.138","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221667","11.1373","0.0014","15.1159","0.0019","14.2802","0.0018","90","","111.928","0.001","90","","2230.2","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4'-Chloro-3',5'-dimethoxyacetanilide","","- C10 H12 Cl N O3 -","- C10 H12 Cl N O3 -","- C80 H96 Cl8 N8 O24 -","8","4","FL2238","Li, Huiyu; Zhu, Yanyan; Chen, Zhonghua","4'-Chloro-3',5'-dimethoxyacetanilide","Acta Crystallographica Section E","2009","65","5","o1078","","10.1107/S1600536809013166","","","0.71073","MoKα","","0.038","0.0353","","","0.1025","0.1049","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221690","6.1364","0.0007","12.1472","0.0013","12.7593","0.0014","90","","101.513","0.002","90","","931.94","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,12β,14α-Trihydroxypregnan-20-one","","- C21 H34 O4 -","- C21 H34 O4 -","- C42 H68 O8 -","2","1","HB2940","Shi, Hefang; Li, Yingxia","3β,12β,14α-Trihydroxypregnan-20-one","Acta Crystallographica Section E","2009","65","5","o1102","","10.1107/S1600536809013853","","","0.71073","MoKα","","0.0523","0.0481","","","0.1227","0.125","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221709","10.792","0.002","7.34","0.0015","11.831","0.002","90","","96.15","0.03","90","","931.8","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-(2-Methylphenyl)-1,3,4-thiadiazol-2-amine","","- C9 H9 N3 S -","- C9 H9 N3 S -","- C36 H36 N12 S4 -","4","2","HK2633","Wang, Yao; Kong, Xiang-Jun; Wan, Rong; Han, Feng; Wang, Peng","5-(2-Methylphenyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2009","65","5","o961","","10.1107/S1600536809011234","","","0.71073","MoKα","","0.0721","0.053","","","0.1455","0.162","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221720","5.308","0.0011","6.301","0.0013","23.459","0.005","90","","91.01","0.03","90","","784.5","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl N'-[4-(2-pyridyl)benzylidene]hydrazinecarboxylate","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C34 H38 N6 O4 -","2","1","HK2661","Feng, Qi; Tang, Qiong; Xu, Hao; Yao, Cheng","tert-Butyl N'-[4-(2-pyridyl)benzylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2009","65","5","o1127","","10.1107/S1600536809012835","","","0.71073","MoKα","","0.0697","0.0508","","","0.1387","0.1703","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221748","10.671","0.001","4.9387","0.0005","16.839","0.002","90","","107.363","0.004","90","","846.99","0.16","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","tenuazonic acid 2,4-dinitrophenylhydrazone","3-{1-[(2,4-Dinitrophenyl)hydrazino]ethylidene}-5-(1-methylpropyl)pyrrolidine- 2,4-dione","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C32 H38 N10 O12 -","2","1","KJ2118","Siegel, David; Merkel, Stefan; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","3-{1-[(2,4-Dinitrophenyl)hydrazino]ethylidene}-5-(1-methylpropyl)pyrrolidine-2,4-dione","Acta Crystallographica Section E","2009","65","5","o988","o989","10.1107/S1600536809012458","","","1.54178","CuKα","","0.0427","0.0394","","","0.1073","0.111","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221752","6.4727","0.0005","8.4851","0.0006","6.8249","0.0005","90","","110.796","0.002","90","","350.41","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclohexane-1,2,3,4,5-pentol","","- C6 H12 O5 -","- C6 H12 O5 -","- C12 H24 O10 -","2","1","KP2211","Ganesh, G.; Sivaraj, C.; Kannan, P. S.; Raaman, N.; SubbiahPandi, A.","Cyclohexane-1,2,3,4,5-pentol","Acta Crystallographica Section E","2009","65","5","o1114","","10.1107/S1600536809014135","","","0.71073","MoKα","","0.0341","0.0326","","","0.0844","0.0856","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221845","13.8257","0.0004","8.7697","0.0003","14.069","0.0004","90","","106.486","0.002","90","","1635.7","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl 2-(2,4-dichloroanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate","","- C29 H33 Cl2 N O10 S2 -","- C29 H33 Cl2 N O10 S2 -","- C58 H66 Cl4 N2 O20 S4 -","2","1","TK2430","El Ashry, El Sayed H.; Amer, Mohammed R.; Shah, M. Raza; Ng, Seik Weng","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl 2-(2,4-dichloroanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate","Acta Crystallographica Section E","2009","65","5","o1106","","10.1107/S1600536809014743","","","0.71073","MoKα","","0.113","0.092","","","0.248","0.263","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221848","7.4001","0.0001","9.8862","0.0001","14.8768","0.0002","90","","100.593","0.001","90","","1069.82","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(20S)-22-Iodomethyl-6β-methoxy-3α,5-dihydro-3'H/i>- cyclopropa[3α,5]-5α-pregnane","","- C23 H37 I O -","- C23 H37 I O -","- C46 H74 I2 O2 -","2","1","TK2434","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","(20S)-22-Iodomethyl-6β-methoxy-3α,5-dihydro-3'H-cyclopropa[3α,5]-5α-pregnane","Acta Crystallographica Section E","2009","65","5","o1125","","10.1107/S1600536809014597","","","0.71073","MoKα","","0.025","0.023","","","0.056","0.057","","","","","","0.91","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221894","7.6272","0.0003","5.384","0.0002","14.4358","0.0005","90","","100.688","0.003","90","","582.52","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tryptophan Hydrobromide","L-Tryptophan hydrobromide","","- C11 H13 Br N2 O2 -","- C11 H13 Br N2 O2 -","- C22 H26 Br2 N4 O4 -","2","1","AT2781","Stewart, Kirsty","Redetermination of L-tryptophan hydrobromide","Acta Crystallographica Section E","2009","65","6","o1291","o1292","10.1107/S1600536809017322","","","0.71073","MoKα","","0.0302","0.0271","","","0.0625","0.0631","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221905","11.4054","0.0013","8.1243","0.0009","11.8593","0.0014","90","","118.678","0.002","90","","964.09","0.19","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","triazolium","5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4- triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate","","- C18 H18 F6 N3 O P -","- C18 H18 F6 N3 O P -","- C36 H36 F12 N6 O2 P2 -","2","1","BG2257","Huang, Yumin; Wei, Siping; Wang, Zhen; Mao, Zhihua; Su, Xiaoyu","5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate","Acta Crystallographica Section E","2009","65","6","o1328","","10.1107/S1600536809018005","","","0.71073","MoKα","","0.0449","0.039","","","0.1059","0.1142","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221921","10.066","0.002","24.666","0.005","10.392","0.002","90","","108.826","0.002","90","","2442.2","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-(Hexane-1,6-diyl)diisoquinolinium tetrachloridozincate(II)","","- C24 H26 Cl4 N2 Zn -","- C24 H26 Cl4 N2 Zn -","- C96 H104 Cl16 N8 Zn4 -","4","2","BQ2137","Ma, Pei-Hua; Fan, Zhi-Fang; Zhang, Yun-Qian; Xiao, Xin; Xue, Sai-Feng","2,2'-(Hexane-1,6-diyl)diisoquinolinium tetrachloridozincate(II)","Acta Crystallographica Section E","2009","65","6","m655","","10.1107/S1600536809017693","","","0.71073","MoKα","","0.0524","0.0413","","","0.0963","0.101","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221925","5.0114","0.0004","7.7961","0.0004","10.9919","0.001","90","","95.778","0.004","90","","427.26","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","Deacetyl tenuazonic acid","(5S)-5-[(1S)-1-methylpropyl]pyrrolidine-2,4-dione","","- C8 H13 N O2 -","- C8 H13 N O2 -","- C16 H26 N2 O4 -","2","1","BT2937","Siegel, David; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Deacetyl tenuazonic acid","Acta Crystallographica Section E","2009","65","6","o1201","","10.1107/S1600536809015372","","","1.54178","CuKα","","0.0366","0.0364","","","0.0979","0.0982","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221928","9.7268","0.0008","5.0781","0.0004","10.9286","0.0009","90","","100.087","0.003","90","","531.46","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-(benzenesulfonamido)acetate","","- C9 H11 N O4 S -","- C9 H11 N O4 S -","- C18 H22 N2 O8 S2 -","2","1","BT2940","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Shafiq, Muhammad","Methyl 2-(benzenesulfonamido)acetate","Acta Crystallographica Section E","2009","65","6","o1204","","10.1107/S160053680901616X","","","0.71073","MoKα","","0.0433","0.0357","","","0.0881","0.0917","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221929","6.2314","0.0006","17.5694","0.0012","15.5892","0.0016","90","","99.373","0.012","90","","1683.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Methoxyphenylsulfonyl)-5-methyl-5-phenylimidazolidine-2,4-dione","","- C17 H16 N2 O5 S -","- C17 H16 N2 O5 S -","- C68 H64 N8 O20 S4 -","4","2","BT2941","Hussain, Abid; Hameed, Shahid; Stoeckli-Evans, Helen","1-(4-Methoxyphenylsulfonyl)-5-methyl-5-phenylimidazolidine-2,4-dione","Acta Crystallographica Section E","2009","65","6","o1207","o1208","10.1107/S1600536809016092","","","0.71073","MoKα","","0.0529","0.029","","","0.0526","0.0584","","","","","","0.807","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221948","7.056","0.004","17.758","0.006","9.129","0.003","90","","102.8","0.04","90","","1115.4","0.8","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Formylphenyl 2,3,4,6-tetra-O-acetyl-β-D-allopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C42 H48 O22 -","2","1","BX2200","Ye, Ding; Zhang, Kuan; Chen, Hua-feng; Yin, Shu-fan; Li, Ying","4-Formylphenyl 2,3,4,6-tetra-O-acetyl-β-D-allopyranoside","Acta Crystallographica Section E","2009","65","6","o1338","","10.1107/S1600536809018248","","","0.71073","MoKα","","0.1196","0.05","","","0.1224","0.1425","","","","","","0.954","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221974","9.5578","0.0019","11.199","0.002","9.6512","0.0019","90","","101.14","0.03","90","","1013.6","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(1R,3S)-3-(1,3-Dithian-2-yl)-2,2- dimethylcyclopropyl]diphenylmethanol","","- C22 H26 O S2 -","- C22 H26 O S2 -","- C44 H52 O2 S4 -","2","1","CV2542","Na, Risong; Wang, Min","[(1R,3S)-3-(1,3-Dithian-2-yl)-2,2-dimethylcyclopropyl]diphenylmethanol","Acta Crystallographica Section E","2009","65","6","o1230","","10.1107/S1600536809016079","","","0.71073","MoKα","","0.056","0.038","","","0.08","0.084","","","","","","0.84","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221989","8.6231","0.0017","6.1376","0.0012","9.898","0.002","90","","97.03","0.03","90","","519.91","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium 2,2-dichloroacetate","","- C6 H13 Cl2 N O5 -","- C6 H13 Cl2 N O5 -","- C12 H26 Cl4 N2 O10 -","2","1","DN2442","Yu, Yan-Hong; Qian, Kun","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium 2,2-dichloroacetate","Acta Crystallographica Section E","2009","65","6","o1278","","10.1107/S1600536809016626","","","0.71073","MoKα","","0.0332","0.0309","","","0.0682","0.0693","","","","","","1.095","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221994","7.8581","0.0002","7.2921","0.0002","10.5183","0.0003","90","","104.663","0.001","90","","583.09","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","5-Dimethylamino-N,N-dimethyl-2-nitrobenzamide","","","- C11 H15 N3 O3 -","- C11 H15 N3 O3 -","- C22 H30 N6 O6 -","2","1","DN2453","Fun, Hoong-Kun; Jebas, Samuel Robinson; Chandrakantha, B.; Padmar, Vijaya; Isloor, Arun M","5-Dimethylamino-N,N-dimethyl-2-nitrobenzamide","Acta Crystallographica Section E","2009","65","6","o1342","","10.1107/S1600536809018017","","","0.71073","MoKα","","0.0412","0.0375","","","0.0996","0.1027","","","","","","1.079","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222004","12.5888","0.0006","8.0648","0.0004","14.2862","0.0007","90","","112.449","0.0007","90","","1340.51","0.11","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S,6R)-5-Methyl-6-phenyl-4-propyl-1,3,4-oxadiazinane-2-thione","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","2","FJ2214","Kocher, Joshua L.; Edler, Kate L.; Bohling, Barbara A.; Nora, George P.; Stafford, Carrie; Hitchcock, Shawn R.; Ferrence, Gregory M.","(5S,6R)-5-Methyl-6-phenyl-4-propyl-1,3,4-oxadiazinane-2-thione","Acta Crystallographica Section E","2009","65","6","o1421","o1422","10.1107/S1600536809019382","","","0.71073","MoKα","","","0.0281","","","","0.0762","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222032","5.1859","0.0006","11.5202","0.0018","14.009","0.002","90","","96.396","0.008","90","","831.7","0.2","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(1,1-dimethylethoxy)carbonyl]-3-[(R)-prop-2-en-1-ylsulfinyl]- (R)-alanine ethyl ester","","- C13 H23 N O5 S -","- C13 H23 N O5 S -","- C26 H46 N2 O10 S2 -","2","1","HB2978","Singh, Suneel P.; Verdu, Marcus J.; Lough, Alan J.; Schwan, Adrian L.","Monoclinic modification of N-[(1,1-dimethylethoxy)carbonyl]-3-[(R)-prop-2-en-1-ylsulfinyl]-(R)-alanine ethyl ester at 200(1) K","Acta Crystallographica Section E","2009","65","6","o1385","o1386","10.1107/S1600536809019023","","","0.71073","MoKα","","0.0796","0.059","","","0.1484","0.1637","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222045","5.4225","0.0001","9.4222","0.0002","13.5653","0.0003","90","","98.402","0.001","90","","685.64","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-{2-[2-(4-Methoxyphenyl)ethenyl]phenyl}acetamide","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","HG2513","Ahmad, Kartini; Thomas, Noel F.; Din, Mohd Fadzli; Awang, Khalijah; Ng, Seik Weng","N'-{2-[2-(4-Methoxyphenyl)ethenyl]phenyl}acetamide","Acta Crystallographica Section E","2009","65","6","o1289","","10.1107/S1600536809017395","","","0.71073","MoKα","","0.0339","0.0329","","","0.0948","0.096","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222091","8.3395","0.0012","16.726","0.002","9.2027","0.0014","90","","95.772","0.005","90","","1277.1","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,5,6-Tri-O-acetyl-2,3-di-S-ethyl-2,3-dithio-D-allose diethyl dithioacetal","","- C20 H36 O6 S4 -","- C20 H36 O6 S4 -","- C40 H72 O12 S8 -","2","1","LH2804","Xi, Xiao-Dong; Shi, Da-Xin; Li, Hui; Li, Yun-Zheng; Wu, Qin-Pei","4,5,6-Tri-O-acetyl-2,3-di-S-ethyl-2,3-dithio-D-allose diethyl dithioacetal","Acta Crystallographica Section E","2009","65","6","o1227","","10.1107/S1600536809015694","","","0.7107","MoKα","","0.034","0.0322","","","0.0631","0.0655","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222203","8.2382","0.0004","5.538","0.0003","16.6015","0.0009","90","","103.664","0.005","90","","735.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4R)-2,5-Dioxo-1-m-tolyl-3,4-diyl diacetate","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C30 H30 N2 O12 -","2","1","AT2801","Naz, Sara; Zaidi, Javid; Mehmood, Tahir; Jones, Peter G.","(3R,4R)-2,5-Dioxo-1-m-tolyl-3,4-diyl diacetate","Acta Crystallographica Section E","2009","65","7","o1487","","10.1107/S1600536809020637","","","1.54184","CuKα","","0.0263","0.0259","","","0.0669","0.0672","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222207","12.682","0.003","12.476","0.003","14.629","0.003","90","","90.12","0.03","90","","2314.6","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene- 5,14-dicarboxylic acid ethanol hemisolvate","","- C24 H37 O4.5 -","- C24 H37 O4.5 -","- C96 H148 O18 -","4","2","AT2806","Wang, Hong-Xiao; Shang, Shi-Bin; Yin, Yan-Bai; Rao, Xiao-Ping; Xu, Xu","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,14-dicarboxylic acid ethanol hemisolvate","Acta Crystallographica Section E","2009","65","7","o1521","","10.1107/S1600536809021059","","","0.71073","MoKα","","0.111","0.0771","","","0.1734","0.1943","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222211","12.285","0.003","5.894","0.0012","14.994","0.003","90","","95.9","0.03","90","","1079.9","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,4aS,10aR,E)-N-benzylidene-7-isopropyl- 1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-amine","","- C26 H33 N -","- C26 H33 N -","- C52 H66 N2 -","2","1","AT2811","Rao, Xiao-Ping; Wu, Yong; Song, Zhan-Qian; Shang, Shi-Bin","N-Benzylidenenordehydroabietylamine","Acta Crystallographica Section E","2009","65","7","o1639","","10.1107/S1600536809022909","","","0.71073","MoKα","","0.1102","0.0743","","","0.1489","0.1993","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222238","5.8148","0.0007","7.5413","0.0011","11.4499","0.0017","90","","93.515","0.01","90","","501.15","0.12","298","1","298","1","","","","","","","","3","P 1 21 1","P 2yb","4","","Allyl 4-hydroxyphenyl carbonate","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","BQ2136","Flores Ahuactzin, Víctor Hugo; López, Delia; Bernès, Sylvain","Allyl 4-hydroxyphenyl carbonate","Acta Crystallographica Section E","2009","65","7","o1603","","10.1107/S1600536809022387","","","0.71073","MoKα","","0.044","0.0369","","","0.1027","0.1091","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222311","9.155","0.0005","13.6852","0.0008","14.5359","0.0008","90","","92.57","0.005","90","","1819.34","0.18","173","1","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","{2,2-Bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2- yl]propane}bis(N,N-dimethylformamide)copper(II) bis(hexafluoridoantimonate)","","- C23 H44 Cu F12 N4 O4 Sb2 -","- C23 H44 Cu F12 N4 O4 Sb2 -","- C46 H88 Cu2 F24 N8 O8 Sb4 -","2","1","HB2975","Rehbein, Julia; Schürmann, Markus; Preut, Hans; Hiersemann, Martin","{2,2-Bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(N,N-dimethylformamide)copper(II) bis(hexafluoridoantimonate)","Acta Crystallographica Section E","2009","65","7","m737","","10.1107/S1600536809020364","","","0.71073","MoKα","","0.066","0.0379","","","0.0456","0.0476","","","","","","0.853","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222320","8.6866","0.0005","15.863","0.0007","10.548","0.0006","90","","104.543","0.005","90","","1406.9","0.13","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Methyl 2-[(3R,4R)-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4- tetrahydroisoquinoline-4-carboxamido]-3-(1H-indol-3-yl)propanoate","","- C33 H29 N3 O5 -","- C33 H29 N3 O5 -","- C66 H58 N6 O10 -","2","1","HB2987","Baktır, Zeliha; Akkurt, Mehmet; Kandinska, Meglena I.; Bogdanov, Milen G.; Büyükgüngör, Orhan","(S)-Methyl 2-[(3R,4R)-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamido]-3-(1H-indol-3-yl)propanoate","Acta Crystallographica Section E","2009","65","7","o1461","o1462","10.1107/S160053680902025X","","","0.71073","MoKα","","0.0406","0.0332","","","0.0786","0.0818","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222326","6.7128","0.0013","10.442","0.002","11.103","0.002","90","","93.94","0.03","90","","776.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[diethylenetriammonium [aquadi-μ~2~-sulfato-sulfatolanthanum(III)]]","","- C4 H18 La N3 O13 S3 -","- C4 H18 La N3 O13 S3 -","- C8 H36 La2 N6 O26 S6 -","2","1","HB2997","Wang, Yuan-Rui; Hu, Yong-Sheng; Shi, Cui-Li; Li, Dan-Ping; Li, Ya-Feng","Poly[diethylenetriammonium [aquadi-μ~2~-sulfato-sulfatolanthanum(III)]]","Acta Crystallographica Section E","2009","65","7","m789","m790","10.1107/S1600536809022272","","","0.71073","MoKα","","0.0225","0.0213","","","0.0478","0.0485","","","","","","1.168","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222346","6.128","0.0012","15.369","0.003","11.193","0.002","90","","101.38","0.03","90","","1033.4","0.4","294","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-5-(2-Nitroprop-1-enyl)-2,3-dihydro-1-benzofuran","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","2","HK2683","Xu, Hong; Sun, Hongshun; Xu, Ning","(E)-5-(2-Nitroprop-1-enyl)-2,3-dihydro-1-benzofuran","Acta Crystallographica Section E","2009","65","7","o1691","","10.1107/S1600536809023277","","","0.71073","MoKα","","0.1008","0.0547","","","0.1373","0.1628","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222374","5.942","0.0012","16.966","0.003","8.198","0.0019","90","","100.09","0.02","90","","813.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4R,5S)-5-Allyl-4-hydroxytetrahydro-2-furylmethyl p-toluenesulfonate","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C30 H40 O10 S2 -","2","1","IS2418","Paz-Morales, Evelyn; Sartillo-Piscil, Fernando; Mendoza, Angel","(2S,4R,5S)-5-Allyl-4-hydroxytetrahydro-2-furylmethyl p-toluenesulfonate","Acta Crystallographica Section E","2009","65","7","o1456","","10.1107/S160053680902011X","","","0.71073","MoKα","","0.0833","0.0547","","","0.1045","0.1264","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222404","9.5158","0.0019","20.79","0.004","12.769","0.003","90","","92.47","0.03","90","","2523.8","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(dibenzoylmethanido-κ^2^O,O')[(6R,8R)-(-)- 7,7-dimethyl-3-(2-pyridyl)-5,6,7,8-tetrahydro-6,8-methanoisoquinoline- κ^2^N,N']terbium(III)","","- C62 H51 N2 O6 Tb -","- C62 H51 N2 O6 Tb -","- C124 H102 N4 O12 Tb2 -","2","1","NG2576","Chen, Lei-Qi; Guo, Jian-Nan; Xuan, Wei-Min; Lin, Yi-Ji; Zhang, Hui","Tris(dibenzoylmethanido-κ^2^O,O')[(6R,8R)-({-})-7,7-dimethyl-3-(2-pyridyl)-5,6,7,8-tetrahydro-6,8-methanoisoquinoline-κ^2^N,N']terbium(III)","Acta Crystallographica Section E","2009","65","7","m705","","10.1107/S1600536809019783","","","0.71073","MoKα","","0.0897","0.0504","","","0.0778","0.0926","","","","","","0.949","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222421","7.8478","0.0005","5.8042","0.0003","16.1548","0.0009","90","","97.91","0.001","90","","728.85","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(benzothiazol-2-ylmethyl)amine","","- C16 H13 N3 S2 -","- C16 H13 N3 S2 -","- C32 H26 N6 S4 -","2","1","PK2169","Zhang, Yong; Zhao, Bi-lin; Zhang, Shi-lei; Qu, Yuan; Xia, Xian-you","Bis(benzothiazol-2-ylmethyl)amine","Acta Crystallographica Section E","2009","65","7","o1674","","10.1107/S1600536809023435","","","0.71073","Mokα","","0.0302","0.0293","","","0.0781","0.0788","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222434","5.7708","0.0017","12.033","0.004","9.624","0.003","90","","101.094","0.003","90","","655.8","0.4","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(1,3-Dithiolan-2-ylidene)-1-phenylpyridine-2,4(1H,3H)-dione","","- C14 H11 N O2 S2 -","- C14 H11 N O2 S2 -","- C28 H22 N2 O4 S4 -","2","1","RK2145","Li, Lei-Jiao; Li, Yan; Hao, Xi-Yun; Sun, Xiu-Yun","3-(1,3-Dithiolan-2-ylidene)-1-phenylpyridine-2,4(1H,3H)-dione","Acta Crystallographica Section E","2009","65","7","o1602","","10.1107/S1600536809021862","","","0.71073","MoKα","","0.0313","0.0288","","","0.069","0.0706","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222456","4.9862","0.0002","9.5028","0.0003","10.4775","0.0003","90","","93.653","0.002","90","","495.45","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4-Diaminopyridinium hydrogen succinate","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C18 H26 N6 O8 -","2","1","SJ2630","Fun, Hoong-Kun; Balasubramani, Kasthuri","3,4-Diaminopyridinium hydrogen succinate","Acta Crystallographica Section E","2009","65","7","o1531","o1532","10.1107/S1600536809021205","","","0.71073","MoKα","","0.0392","0.0361","","","0.0943","0.1044","","","","","","1.176","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222468","9.001","0.0001","16.7778","0.0002","9.2448","0.0001","90","","111.003","0.001","90","","1303.37","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Trimethylphenylammonium dibromidotriphenylstannate(IV)","","- C27 H29 Br2 N Sn -","- C27 H29 Br2 N Sn -","- C54 H58 Br4 N2 Sn2 -","2","1","TK2456","Yap, Quai Ling; Lo, Kong Mun; Ng, Seik Weng","Trimethylphenylammonium dibromidotriphenylstannate(IV)","Acta Crystallographica Section E","2009","65","7","m714","","10.1107/S1600536809019722","","","0.71073","MoKα","","0.016","0.016","","","0.042","0.042","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222472","8.0827","0.0002","6.7365","0.0001","11.4489","0.0003","90","","101.967","0.001","90","","609.83","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3-Diaminopyridinium 4-nitrobenzoate","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C24 H24 N8 O8 -","2","1","TK2462","Balasubramani, Kasthuri; Fun, Hoong-Kun","2,3-Diaminopyridinium 4-nitrobenzoate","Acta Crystallographica Section E","2009","65","7","o1511","o1512","10.1107/S160053680902100X","","","0.71073","MoKα","","0.073","0.052","","","0.107","0.116","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222490","6.5528","0.0013","9.4029","0.0019","7.924","0.0016","90","","106.6","0.03","90","","467.89","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2-[(R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one","","- C8 H12 O4 S -","- C8 H12 O4 S -","- C16 H24 O8 S2 -","2","1","WN2324","Wu, Qin-Pei; Shi, Da-Xin; Wang, Hao; Zhang, Qing-Shan","(R)-2-[(R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one","Acta Crystallographica Section E","2009","65","7","o1483","","10.1107/S160053680902039X","","","0.71073","MoKα","","0.0542","0.0421","","","0.1215","0.1294","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222505","9.8222","0.0001","7.6128","0.0001","15.2309","0.0002","90","","107.604","0.001","90","","1085.55","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","\ (20S)-22-Acetoxymethyl-6β-methoxy-3α,5-dihydro-\ 3'H-cyclopropa[3α,5]-5α-pregnane","","- C25 H40 O3 -","- C25 H40 O3 -","- C50 H80 O6 -","2","1","XU2534","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","(20S)-22-Acetoxymethyl-6{β}-methoxy-3α,5-dihydro-3'H-cyclopropa[3α,5]-5α-pregnane","Acta Crystallographica Section E","2009","65","7","o1486","","10.1107/S1600536809020674","","","0.71073","MoKα","","0.0351","0.033","","","0.0899","0.0923","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222516","9.4396","0.0005","5.8825","0.0003","19.6719","0.001","90","","103.923","0.003","90","","1060.26","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2S,5R,6S,9R)-6-isopropyl-9-methyl-1,4- dioxaspiro[4.5]dec-2-yl]methyl 3,5-dinitrobenzoate","","- C20 H26 N2 O8 -","- C20 H26 N2 O8 -","- C40 H52 N4 O16 -","2","1","ZL2211","Kiessling, Anthony; Campana, Charles; Kastner, Margaret E.","A 3,5-dinitrobenzoyl derivative of a stereoisomer of glycerol menthonide","Acta Crystallographica Section E","2009","65","7","o1540","","10.1107/S1600536809020960","","","1.54178","CuKα","","0.0183","0.0181","","","0.045","0.0452","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222550","6.2856","0.0001","6.4521","0.0001","11.7698","0.0002","90","","98.631","0.002","90","","471.922","0.013","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,8aS,9S,9aR)-9- Hydroxyperhydrofuro[3,2-f]indolizin-6-one","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C20 H30 N2 O6 -","2","1","BG2263","Švorc, Ľubomír; Vrábel, Viktor; Žúžiová, Jozefína; Marchalín, Štefan; Kožíšek, Jozef","(3aR,8aS,9S,9aR)-9-Hydroxyperhydrofuro[3,2-f]indolizin-6-one","Acta Crystallographica Section E","2009","65","8","o1731","o1732","10.1107/S1600536809024283","","","0.71073","MoKα","","0.0402","0.0316","","","0.085","0.0878","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222584","7.5622","0.0004","10.6369","0.0005","11.1497","0.0007","90","","100.373","0.003","90","","882.21","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Acetyl-c-3,t-3-dimethyl-r-2,c-6-diphenylpiperidin-4-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C42 H46 N2 O4 -","2","1","BT2989","Aravindhan, S.; Ponnuswamy, S.; Jamesh, M.; Ramesh, P.; Ponnuswamy, M. N.","1-Acetyl-c-3,t-3-dimethyl-r-2,c-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2009","65","8","o1974","","10.1107/S1600536809028049","","","0.71073","MoKα","","0.0722","0.0458","","","0.122","0.1453","","","","","","1.023","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222617","9.278","0.0019","4.76","0.001","13.245","0.003","90","","93.15","0.03","90","","584.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,5S)-2-(4-Chlorophenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C11 H11 Cl N2 O4 -","- C11 H11 Cl N2 O4 -","- C22 H22 Cl2 N4 O8 -","2","1","CI2828","Wang, De-Cai; Bai, Jing; Xu, Wei; Gai, Tao; Liu, Hua-Quan","(4S,5S)-2-(4-Chlorophenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2009","65","8","o1960","","10.1107/S1600536809027494","","","0.71073","MoKα","","0.0642","0.0479","","","0.1119","0.122","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222656","8.9201","0.0018","8.5317","0.0017","10.128","0.002","90","","97","0.03","90","","765","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6,7,9,10,12,13,15-Octahydro-2H-1,3- dithiolo[4,5-i][1,4,7,12]dioxadithiacyclotetradecine-2-thione","","- C11 H16 O2 S5 -","- C11 H16 O2 S5 -","- C22 H32 O4 S10 -","2","1","CV2592","Hou, Rui-Bin; Li, Bao; Chen, Tie; Yin, Bing-Zhu; Wu, Li-Xin","4,6,7,9,10,12,13,15-Octahydro-2H-1,3-dithiolo[4,5-i][1,4,7,12]dioxadithiacyclotetradecine-2-thione","Acta Crystallographica Section E","2009","65","8","o2042","","10.1107/S1600536809029468","","","0.71073","MoKα","","0.0353","0.0339","","","0.0864","0.0877","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222668","8.485","0.004","23.786","0.01","9.93","0.004","90","","91.039","0.017","90","","2003.8","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","glaucocalyxin B","14β-acetoxy-7α-hydroxy-ent-kaur-16-ene-3,15-dione","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","2","EZ2171","Bai, Su-Ping; Luo, Guo-Sheng; Zhang, Xiao-Yi; Liu, Wei","An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx","Acta Crystallographica Section E","2009","65","8","o1898","","10.1107/S1600536809027159","","","0.71073","MoKα","","0.1093","0.0633","","","0.1444","0.1639","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222690","6.0476","0.0011","7.537","0.0012","24.87","0.002","90","","94.974","0.001","90","","1129.3","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide","","- C18 H40 Br N O2 -","- C18 H40 Br N O2 -","- C36 H80 Br2 N2 O4 -","2","1","GK2214","Fu, Shizhou; Wei, Zengbin; Wei, Xilian; Wu, Tao","3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide","Acta Crystallographica Section E","2009","65","8","o1836","","10.1107/S160053680902635X","","","0.71073","MoKα","","0.1379","0.0634","","","0.1307","0.1577","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222700","12","0.0002","6.0964","0.0008","13.602","0.002","90","","109.412","0.007","90","","938.51","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-Benzenesulfonamido-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene- 2-carboxylic acid methanol solvate","","- C16 H18 N2 O6 S2 -","- C16 H18 N2 O6 S2 -","- C32 H36 N4 O12 S4 -","2","1","HB5002","Mariam, Irfana; Akkurt, Mehmet; Sharif, Shahzad; Haider, Syed Kamran; Khan, Islam Ullah","7-Benzenesulfonamido-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methanol solvate","Acta Crystallographica Section E","2009","65","8","o1737","","10.1107/S1600536809024726","","","0.71073","MoKα","","0.1123","0.0509","","","0.0984","0.1203","","","","","","0.96","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222769","10.8687","0.0002","6.3379","0.0001","12.9038","0.0002","90","","112.882","0.001","90","","818.93","0.02","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2a,3a-Dihydroxyandrostan-16-one","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","JH2087","Zhang, Li; Fang, Xin; Hao, Xiao-Jiang; Lu, Yang","2a,3a-Dihydroxyandrostan-16-one","Acta Crystallographica Section E","2009","65","8","o2043","","10.1107/S1600536809029493","","","0.71073","MoKα","","0.0406","0.0375","","","0.1025","0.1048","","","","","","1.139","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222838","8.251","0.003","7.239","0.002","11.434","0.002","90","","94.201","0.005","90","","681.1","0.3","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Hydroxy-3a,6,8c-trimethylperhydrooxireno[2',3':7,8]naphtho[1,2- b]furan-7(2H)-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","PV2169","Kesternich, Victor; Cortés, Paulina; Brito, Iván; Cárdenas, Alejandro; López-Rodríguez, Matías","3-Hydroxy-3a,6,8c-trimethylperhydrooxireno[2',3':7,8]naphtho[1,2-b]furan-7(2H)-one","Acta Crystallographica Section E","2009","65","8","o1777","o1778","10.1107/S1600536809025124","","","0.71069","MoKα","","0.0402","0.0368","","","","0.1083","","","","","","1.132","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222870","10.977","0.002","7.6518","0.0015","13.259","0.003","90","","92.08","0.03","90","","1112.9","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-(β-D-Allopyranosyloxy)cinnamyl 4-bromophenyl ketone ethanol solvate","","- C23 H27 Br O8 -","- C23 H27 Br O8 -","- C46 H54 Br2 O16 -","2","1","RZ2355","Yin, Xiu-Juan; Bai, Xue; Zheng, Lei; Li, Ying; Yin, Shu-Fan","(E)-4-(β-D-Allopyranosyloxy)cinnamyl 4-bromophenyl ketone ethanol solvate","Acta Crystallographica Section E","2009","65","8","o2044","","10.1107/S1600536809029687","","","0.71073","MoKα","","0.0443","0.032","","","0.055","0.056","","","","","","0.748","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222882","5.9384","0.0007","10.531","0.0011","19.173","0.003","90","","90.989","0.01","90","","1198.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-N,N'-Bis(ferrocenylmethyl)cyclohexane- 1,2-diamine","","- C28 H34 Fe2 N2 -","- C28 H34 Fe2 N2 -","- C56 H68 Fe4 N4 -","2","1","SU2124","Wang, YingChun","(R,R)-N,N'-Bis(ferrocenylmethyl)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2009","65","8","m874","","10.1107/S1600536809025057","","","0.71073","MoKα","","0.0522","0.0416","","","0.0818","0.0869","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222888","12.0999","0.0003","13.8673","0.0003","16.7971","0.0004","90","","90.106","0.001","90","","2818.43","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Bromobeclometasone dipropionate","(8S,9R,10S,11S,13S,14S,16S, 17R)-2-bromo-9α-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo- 17-[2-(propionyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro- 3H-cyclopenta[a]phenanthren-17-yl propionate","","- C28 H36 Br Cl O7 -","- C28 H36 Br Cl O7 -","- C112 H144 Br4 Cl4 O28 -","4","2","TK2487","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","2-Bromobeclometasone dipropionate","Acta Crystallographica Section E","2009","65","8","o1822","","10.1107/S1600536809025987","","","0.71073","MoKα","","0.0725","0.0462","","","0.077","0.0863","","","","","","0.936","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222940","5.98","0.0003","5.196","0.0004","21.503","0.005","90","","96.105","0.005","90","","664.35","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4-Nitrophenyl)-N-phenyloxirane-2-carboxamide","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C30 H24 N4 O8 -","2","1","XU2566","He, Long","3-(4-Nitrophenyl)-N-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2009","65","8","o2052","","10.1107/S1600536809029699","","","0.71073","MoKα","","0.0933","0.0391","","","0.0391","0.0417","","","","","","1.127","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222968","9.7453","0.001","6.9227","0.0007","13.4247","0.0016","90","","109.432","0.004","90","","854.09","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Duloxetine hydrochloride","N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-aminium chloride","","- C18 H20 Cl N O S -","- C18 H20 Cl N O S -","- C36 H40 Cl2 N2 O2 S2 -","2","1","BG2289","Bhadbhade, Mohan; Hook, James; Marjo, Chris; Rich, Anne; Lin, Qinghong","Duloxetine hydrochloride","Acta Crystallographica Section E","2009","65","9","o2294","","10.1107/S1600536809033996","","","0.71073","MoKα","","0.0681","0.0444","","","0.1102","0.1307","","","","","","0.789","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222990","13.2824","0.0002","12.6702","0.0002","15.5236","0.0003","90","","94.999","0.001","90","","2602.54","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","19β,28-Epoxy-18α-olean-3β-ol","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","2","BT5024","Santos, R. C.; Pinto, R. M. A.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","19β,28-Epoxy-18α-olean-3β-ol","Acta Crystallographica Section E","2009","65","9","o2088","o2089","10.1107/S1600536809030311","","","0.71073","MoKα","","0.0606","0.048","","","0.1285","0.1397","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223102","9.97","0.002","4.476","0.0009","20.45","0.004","90","","94.54","0.03","90","","909.7","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Quizalofop-P","(S)-Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propanoate","","- C19 H17 Cl N2 O4 -","- C19 H17 Cl N2 O4 -","- C38 H34 Cl2 N4 O8 -","2","1","HK2712","Hu, Jun; Chen, Guo-song; Guo, Li-hua; Wang, Ji-kui; Xu, Yan-hua","(S)-Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propanoate","Acta Crystallographica Section E","2009","65","9","o2082","","10.1107/S1600536809030074","","","0.71073","MoKα","","0.0866","0.05","","","0.1278","0.1551","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223116","9.5303","0.0019","20.814","0.004","12.735","0.002","90","","92.421","0.004","90","","2523.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","κ^2^N,N']gadolinium(III)","","- C62 H51 Gd N2 O6 -","- C62 H51 Gd N2 O6 -","- C124 H102 Gd2 N4 O12 -","2","1","HY2214","Li, Xi-Li; He, Lai-Fu","Tris(dibenzoylmethanido-κ^2^O,O')[(6S,8S)-(+)-7,7-dimethyl-3-(2-pyridyl)-5,6,7,8-tetrahydro-6,8-methanoisoquinoline-κ^2^N,N']gadolinium(III)","Acta Crystallographica Section E","2009","65","9","m1050","","10.1107/S1600536809030700","","","0.71073","MoKα","","0.0352","0.0337","","","0.0728","0.0735","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223143","8.7784","0.0009","11.8238","0.0013","10.8438","0.0011","90","","109.671","0.008","90","","1059.8","0.2","296","1","296","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(Benzoato-κO)chlorido[(‒)-sparteine-κ^2^N,N']zinc(II)","","- C22 H31 Cl N2 O2 Zn -","- C22 H31 Cl N2 O2 Zn -","- C44 H62 Cl2 N4 O4 Zn2 -","2","1","KJ2131","Alcántara-Flores, José Luis; Arias-López, Nayeli; Bernès, Sylvain; Gutiérrez, René; Reyes Ortega, Yasmi","(Benzoato-κO)chlorido[(‒)-sparteine-κ^2^N,N']zinc(II)","Acta Crystallographica Section E","2009","65","9","m1142","m1143","10.1107/S1600536809033625","","","0.71073","MoKα","","0.0462","0.033","","","0.0649","0.0692","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223160","8.9653","0.0014","20.771","0.003","12.903","0.002","90","","106.015","0.002","90","","2309.5","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[N'-(3-Methoxy-2-oxidobenzylidene)nicotinohydrazidato]diphenyltin(IV)","","- C26 H21 N3 O3 Sn -","- C26 H21 N3 O3 Sn -","- C104 H84 N12 O12 Sn4 -","4","2","NC2154","Gao, Zhongjun; Zhai, Xiurong; Zhou, Fangxia; Cheng, Zhenjiao","[N'-(3-Methoxy-2-oxidobenzylidene)nicotinohydrazidato]diphenyltin(IV)","Acta Crystallographica Section E","2009","65","9","m1134","","10.1107/S1600536809033170","","","0.71073","MoKα","","0.0246","0.0235","","","0.0561","0.0566","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223177","7.5419","0.0004","6.9039","0.0003","10.7634","0.0005","90","","93.711","0.0012","90","","559.26","0.05","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-7-Bromo-2,3,4,4a-tetrahydro-1H-xanthen-1-one","","- C13 H11 Br O2 -","- C13 H11 Br O2 -","- C26 H22 Br2 O4 -","2","1","PV2187","Xia, Ai-Bao; Tang, Jie; Jiang, Jun-Rong; Wang, Yi-Feng; Luo, Shu-Ping","(R)-7-Bromo-2,3,4,4a-tetrahydro-1H-xanthen-1-one","Acta Crystallographica Section E","2009","65","9","o2091","","10.1107/S1600536809030244","","","0.71075","MoKα","","","0.033","","","","0.1019","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223185","9.1402","0.0003","11.2446","0.0003","15.6061","0.0005","90","","101.334","0.002","90","","1572.68","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Cyclohexyl-2-(3-furyl)-1H-benzimidazole-5-carboxylic acid","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","RK2157","Dibrov, Sergey; Dutta, Sanjay; Hermann, Thomas","1-Cyclohexyl-2-(3-furyl)-1H-benzimidazole-5-carboxylic acid","Acta Crystallographica Section E","2009","65","9","o2136","","10.1107/S1600536809031213","","","1.54178","CuKα","","0.0568","0.0518","","","0.1377","0.1429","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223204","8.85","0.006","7.189","0.005","10.595","0.007","90","","95.537","0.006","90","","670.9","0.8","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(4S)-4-Benzyl-2-thioxo-1,3-thiazolidin-3-yl]propan-1-one","","- C13 H15 N O S2 -","- C13 H15 N O S2 -","- C26 H30 N2 O2 S4 -","2","1","TK2514","Gade, Narendar Reddy; Manjula, Y.; Iqbal, Javed; Vishweshwar, Peddy","1-[(4S)-4-Benzyl-2-thioxo-1,3-thiazolidin-3-yl]propan-1-one","Acta Crystallographica Section E","2009","65","9","o2159","","10.1107/S1600536809030104","","","0.7107","MoKα","","","0.041","","","","0.048","","","","","","0.86","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223211","8.9733","0.0003","26.3103","0.0007","9.9312","0.0003","90","","115.644","0.001","90","","2113.71","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzyl-3-[(dimethylamino)methylene]-4-phenyl-1H- 1,4-benzodiazepin-2(3H)-one","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","2","TK2525","Zemama, Redwan Mohamed; Amari, Ibtissam; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1-Benzyl-3-[(dimethylamino)methylene]-4-phenyl-1H-1,4-benzodiazepin-2(3H)-one","Acta Crystallographica Section E","2009","65","9","o2160","","10.1107/S1600536809031687","","","0.71073","MoKα","","0.057","0.043","","","0.109","0.118","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223263","11.738","0.002","11.875","0.002","13.654","0.003","90","","107.5","0.03","90","","1815.1","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dehydroabietic acid","(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl- 1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","AT2868","Rao, Xiao-Ping; Song, Zhan-Qian; Shang, Shi-Bin","Dehydroabietic acid","Acta Crystallographica Section E","2009","65","10","o2402","","10.1107/S1600536809035600","","","0.71073","MoKα","","0.1125","0.077","","","0.1629","0.1817","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223278","5.6342","0.0011","28.771","0.006","8.3226","0.0017","90","","103","0.03","90","","1314.5","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,4-O-Isopropylidene-2,7-di-O-p-tolylsulfonyl- α-L-xylo-3-heptulo-3,6-furanosononitrile","","- C24 H27 N O10 S2 -","- C24 H27 N O10 S2 -","- C48 H54 N2 O20 S4 -","2","1","BH2226","Ma, Liang; Li, Yun-Feng; Meng, Xiang-Bao; Li, Zhong-Jun","3,4-O-Isopropylidene-2,7-di-O-p-tolylsulfonyl-α-L-xylo-3-heptulo-3,6-furanosononitrile","Acta Crystallographica Section E","2009","65","10","o2437","","10.1107/S1600536809032565","","","0.71073","MoKα","","0.0545","0.0487","","","0.119","0.127","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223297","8.547","0.0003","18.0837","0.0006","8.8697","0.0003","90","","95.405","0.002","90","","1364.82","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N~5~-Dichloroacetyltetrahydro-4-methyl-1,5-benzodiazepin-2-one hemihydrate","5-Dichloroacetyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one hemihydrate","","- C24 H26 Cl4 N4 O5 -","- C24 H26 Cl4 N4 O5 -","- C48 H52 Cl8 N8 O10 -","2","1","BT5048","Ravichandran, K.; Sakthivel, P.; Ponnuswamy, S.; Shalini, M.; Ponnuswamy, M. N.","5-Dichloroacetyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one hemihydrate","Acta Crystallographica Section E","2009","65","10","o2551","o2552","10.1107/S1600536809036940","","","0.71073","MoKα","","0.0529","0.0448","","","0.1042","0.1096","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223331","8.27","0.004","5.886","0.003","13.92","0.007","90","","93.254","0.007","90","","676.5","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-methoxy-2-[(1-phenylethyl)iminomethyl]phenol","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","CI2897","Miura, Yukie; Aritake, Yoshikazu; Akitsu, Takashiro","A chiral photochromic Schiff base: (R)-4-methoxy-2-[(1-phenylethyl)iminomethyl]phenol","Acta Crystallographica Section E","2009","65","10","o2381","","10.1107/S1600536809035557","","","0.71073","MoKα","","0.05","0.0415","","","0.0839","0.0875","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223334","11.3323","0.0001","8.8199","0.0002","12.8741","0.0003","90","","91.765","0.001","90","","1286.15","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","8-[(3,3-Dimethyloxiran-2-yl)methoxymethyl]-11-hydroxy-2-isopropenyl-5-methyl- 12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-1-yl acetate","","- C28 H30 O8 -","- C28 H30 O8 -","- C56 H60 O16 -","2","1","CI2902","Liangsakul, Jatupol; Srisurichan, Suphongphan; Muangsin, Nongnuj; Chaichit, Narongsak; Pornpakakul, Surachai","8-[(3,3-Dimethyloxiran-2-yl)methoxymethyl]-11-hydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-1-yl acetate","Acta Crystallographica Section E","2009","65","10","o2558","o2559","10.1107/S1600536809038343","","","0.71073","MoKα","","0.0891","0.0559","","","0.1219","0.1408","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223344","4.9323","0.001","8.6233","0.0017","15.226","0.003","90","","95.77","0.03","90","","644.3","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-1-Methoxycarbonyl-3-(4-nitrophenyl)propan-2-aminium bromide","","- C10 H13 Br N2 O4 -","- C10 H13 Br N2 O4 -","- C20 H26 Br2 N4 O8 -","2","1","CV2604","Wang, Bo","(S)-1-Methoxycarbonyl-3-(4-nitrophenyl)propan-2-aminium bromide","Acta Crystallographica Section E","2009","65","10","o2397","","10.1107/S1600536809034904","","","0.71073","MoKα","","0.0515","0.0421","","","0.0805","0.0847","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223375","6.4598","0.0011","7.3696","0.0012","18.302","0.003","90","","94.978","0.003","90","","868","0.2","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","1,10-phenanthrolinium hydrogen 4,5-dichlorophthalate","1,10-Phenanthrolin-1-ium 2-carboxy-4,5-dichlorobenzoate","","- C20 H12 Cl2 N2 O4 -","- C20 H12 Cl2 N2 O4 -","- C40 H24 Cl4 N4 O8 -","2","1","FL2261","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","1,10-Phenanthrolin-1-ium 2-carboxy-4,5-dichlorobenzoate","Acta Crystallographica Section E","2009","65","10","o2333","","10.1107/S1600536809034448","","","0.71073","MoKα","","0.0329","0.0319","","","0.0844","0.0853","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223395","6.1224","0.0015","4.5263","0.0013","23.445","0.009","90","","94.44","0.02","90","","647.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C26 H22 Br2 N4 O6 S2 -","2","1","HB5090","Chohan, Zahid H.; Shad, Hazoor A.; Tahir, M. Nawaz","4-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide","Acta Crystallographica Section E","2009","65","10","o2426","","10.1107/S1600536809036010","","","0.71073","MoKα","","0.0446","0.0374","","","0.0841","0.0869","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223410","7.432","0.004","13.01","0.006","8.161","0.006","90","","115.47","0.04","90","","712.4","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-Istanbulin A","9a-hydroxy-3,4a,5-trimethyl-4a,6,7,8a,9,9a-hexahydro-4H,5H- naphtho[2,3-b]furan-2,8-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","HG2542","López-Rodríguez, Matías; Reina, Matías; Domínguez-Díaz, D. M.; Fajardo, V.; Villarroel, L.","({-})-Istanbulin A","Acta Crystallographica Section E","2009","65","10","o2330","","10.1107/S1600536809033418","","","0.71073","MoKα","","0.0451","0.0378","","","0.0912","0.0951","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223415","8.2464","0.0008","5.3251","0.0004","15.3642","0.0015","90","","100.384","0.003","90","","663.64","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2R)-2-Benzenesulfonamido-2-phenylethanoic acid","(2R)-2-Benzenesulfonamido-2-phenylethanoic acid","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","HG2562","Khan, Islam Ullah; Sharif, Shahzad; Arshad, Muhammad Nadeem; Ejaz; Idrees, Muhammad","(2R)-2-Benzenesulfonamido-2-phenylethanoic acid: a new monoclinic polymorph","Acta Crystallographica Section E","2009","65","10","o2436","","10.1107/S160053680903606X","","","0.71073","MoKα","","0.0648","0.0424","","","0.0852","0.099","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223479","8.7476","0.0004","10.2081","0.0004","13.8377","0.0007","90","","108.347","0.003","90","","1172.85","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methyl 2-[methyl(methylsulfonyl)amino]benzoate","","- C10 H13 N O4 S -","- C10 H13 N O4 S -","- C40 H52 N4 O16 S4 -","4","2","LH2905","Shafiq, Muhammad; Khan, Islam Ullah; Kia, Reza; Arshad, Muhammad Nadeem; Aslam, Maooz","A nonmerohedral twin of methyl 2-[methyl(methylsulfonyl)amino]benzoate","Acta Crystallographica Section E","2009","65","10","o2588","","10.1107/S1600536809037799","","","0.71073","MoKα","","0.0837","0.0432","","","0.071","0.0825","","","","","","0.986","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223484","11.376","0.001","5.7287","0.0005","13.409","0.001","90","","111.276","0.003","90","","814.3","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N-Phenyl-N-(3-phenylprop-2-ynyl)aniline","","- C21 H17 N -","- C21 H17 N -","- C42 H34 N2 -","2","1","LX2105","Pang, Tao; Sun, Yi-chong; Zhang, Jian-ming","N-Phenyl-N-(3-phenylprop-2-ynyl)aniline","Acta Crystallographica Section E","2009","65","10","o2555","","10.1107/S1600536809037866","","","0.71073","MoKα","","0.0723","0.0547","","","0.128","0.1411","","","","","","0.91","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223485","8.365","0.0017","7.05","0.0014","15.983","0.003","90","","92.27","0.03","90","","941.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","\ 6-Benzyl-3,4-dimethoxy-9-methylpyrido[2',1':2,3]imidazo[4,5-c]\ isoquinolin-5(6H)-one","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C48 H42 N6 O6 -","2","1","LX2108","Meindl, Kathrin; Stern, Daniel; Mert-Balci, Fadime; Beifuss, Uwe","6-Benzyl-3,4-dimethoxy-10-methylpyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-one","Acta Crystallographica Section E","2009","65","10","o2464","o2465","10.1107/S1600536809035806","","","0.71073","MoKα","","0.0304","0.0297","","","0.0795","0.0801","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223490","12.274","0.003","6.955","0.0014","14.445","0.003","90","","102.22","0.03","90","","1205.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","15-Hydroxyethyl-19-isopropyl-5,9-dimethyl-14,16-dioxo-15- azapentacyclo[10.5.2.0^1,10^.0^4,9^.0^13,17^]nonadec-18-ene-5-carboxylic acid","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C52 H74 N2 O10 -","2","1","NG2627","Xu, Xu; Song, Zhan-qian; Shang, Shi-bin; Wang, Hong-xiao; Rao, Xiao-ping","15-Hydroxyethyl-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.0^1,10^.0^4,9^.0^13,17^]nonadec-18-ene-5-carboxylic acid","Acta Crystallographica Section E","2009","65","10","o2443","","10.1107/S1600536809032954","","","0.71073","MoKα","","0.0936","0.0744","","","0.1744","0.1887","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223492","6.6289","0.0003","8.7963","0.0004","11.315","0.0005","90","","99.482","0.001","90","","650.76","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-(6aS,11aS)-medicarpin","9-Methoxy-6a,11a-dimethyl-6a,11a-dihydro-6H-\ 1-benzofuro[3,2-c]chromen-3-ol from Dalbergia Oliveri","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","NG2631","Deesamer, Sujittra; Chavasiri, Warinthorn; Chaichit, Narongsak; Muangsin, Nongnuj; Kokpol, Udom","9-Methoxy-6a,11a-dimethyl-6a,11a-dihydro-6H-1-benzofuro[3,2-c]chromen-3-ol from Dalbergia oliveri","Acta Crystallographica Section E","2009","65","10","o2387","","10.1107/S1600536809034485","","","0.71073","MoKα","","","0.0335","","","","0.0926","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223532","10.9276","0.0005","7.4658","0.0005","19.8571","0.001","90","","100.85","0.005","90","","1591.05","0.15","90","0.5","90","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","11β,13-Dihydrolactucin-8-O-acetate hemihydrate","9-hydroxymethyl-3,6-dimethyl-2,7-dioxo- 3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl acetate hemihydrate","","- C17 H21 O6.5 -","- C17 H21 O6.5 -","- C68 H84 O26 -","4","2","PV2210","Fronczek, Chris F.; Gomez-Barrios, Marco L.; Fischer, Nikolaus H.; Fronczek, Frank R.","11β,13-Dihydrolactucin-8-O-acetate hemihydrate","Acta Crystallographica Section E","2009","65","10","o2564","o2565","10.1107/S160053680903829X","","","1.54178","CuKα","","0.0276","0.0268","","","0.0671","0.0677","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2223564","10.302","0.002","17.573","0.004","10.746","0.002","90","","108.4","0.03","90","","1846","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(N,N'-Diferrocenylcyclohexane-1,2- diyldiimino)dibenzonitrile","","- C44 H44 Fe2 N4 -","- C44 H44 Fe2 N4 -","- C88 H88 Fe4 N8 -","2","1","SU2133","Chen, Fang","(R,R)-(N,N'-Diferrocenylcyclohexane-1,2-diyldiimino)dibenzonitrile","Acta Crystallographica Section E","2009","65","10","m1201","","10.1107/S1600536809035788","","","0.71073","MoKα","","0.0829","0.0631","","","0.1568","0.1711","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223588","5.5378","0.0011","7.4158","0.0015","14.246","0.003","90","","91.15","0.03","90","","584.9","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-1-Carboxy-2-(4-nitrophenyl)ethanaminium bromide","","- C9 H11 Br N2 O4 -","- C9 H11 Br N2 O4 -","- C18 H22 Br2 N4 O8 -","2","1","XU2595","Wang, Bo","(S)-1-Carboxy-2-(4-nitrophenyl)ethanaminium bromide","Acta Crystallographica Section E","2009","65","10","o2420","","10.1107/S1600536809035211","","","0.71073","MoKα","","0.0366","0.0323","","","0.0675","0.0693","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223619","15.40429","0.00013","9.6712","0.00009","11.69922","0.00009","90","","95.0922","0.0007","90","","1736.05","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Ethoxybenzoyl)-4-(4-methoxyphenyl)thiosemicarbazide","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C68 H76 N12 O12 S4 -","4","2","BT5057","Khanum, Saira; Farman, Muhammad; Rama, Nasim H.; Hameed, Shahid; Jones, Peter G.","1-(4-Ethoxybenzoyl)-4-(4-methoxyphenyl)thiosemicarbazide","Acta Crystallographica Section E","2009","65","11","o2604","o2605","10.1107/S1600536809036599","","","0.71073","MoKα","","0.0501","0.029","","","0.0535","0.0549","","","","","","0.961","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223630","12.3149","0.0013","8.673","0.0009","15.0491","0.0016","90","","93.786","0.002","90","","1603.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-[2-(Pentafluorophenyl)ethenyl]-8-quinolyl acetate","","- C19 H10 F5 N O2 -","- C19 H10 F5 N O2 -","- C76 H40 F20 N4 O8 -","4","2","BT5079","Zhang, Li-Yan; Huo, Yan-Ping","(E)-2-[2-(Pentafluorophenyl)ethenyl]-8-quinolyl acetate","Acta Crystallographica Section E","2009","65","11","o2870","","10.1107/S1600536809043888","","","0.71073","MoKα","","0.0564","0.0425","","","0.0992","0.108","","","","","","0.984","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223675","8.1103","0.0001","20.5054","0.0003","9.5549","0.0002","90","","101.799","0.001","90","","1555.45","0.04","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[(E)-1-methyl-4-styrylpyridinium] 4-chlorobenzenesulfonate iodide","","- C34 H32 Cl I N2 O3 S -","- C34 H32 Cl I N2 O3 S -","- C68 H64 Cl2 I2 N4 O6 S2 -","2","1","CI2919","Fun, Hoong-Kun; Surasit, Chanasuk; Chanawanno, Kullapa; Chantrapromma, Suchada","Bis[(E)-1-methyl-4-styrylpyridinium] 4-chlorobenzenesulfonate iodide","Acta Crystallographica Section E","2009","65","11","o2633","o2634","10.1107/S1600536809038896","","","0.71073","MoKα","","0.0204","0.0197","","","0.0489","0.0493","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223716","10.8053","0.0019","6.5941","0.0012","16.075","0.003","90","","108.243","0.003","90","","1087.8","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,4S,5S,8R)-8-Nitrooxy-2,6- dioxabicyclo[3.3.0]octan-4-yl 3,4,5-triacetoxybenzoate","","- C19 H19 N O13 -","- C19 H19 N O13 -","- C38 H38 N2 O26 -","2","1","DN2497","Zhang, Yue; Wang, Ping-An; Zhang, Meng-Yao; Sun, Xiao-Li","(1S,4S,5S,8R)-8-Nitrooxy-2,6-dioxabicyclo[3.3.0]octan-4-yl 3,4,5-triacetoxybenzoate","Acta Crystallographica Section E","2009","65","11","o2849","","10.1107/S1600536809042524","","","0.71073","MoKα","","0.0664","0.0387","","","0.09","0.1051","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223730","9.9991","0.0004","17.2172","0.0007","11.4605","0.0005","90","","92.126","0.001","90","","1971.64","0.14","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(η^5^-Cyclopentadienyl)(propionitrile-κN)bis(triphenylphosphine- κP)ruthenium(II) trifluoromethanesulfonate","","- C45 H40 F3 N O3 P2 Ru S -","- C45 H40 F3 N O3 P2 Ru S -","- C90 H80 F6 N2 O6 P4 Ru2 S2 -","2","1","EZ2188","Mauthner, Klaus; Kirchner, Karl; Mereiter, Kurt","(η^5^-Cyclopentadienyl)(propionitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) trifluoromethanesulfonate","Acta Crystallographica Section E","2009","65","11","m1267","","10.1107/S1600536809038720","","","0.71073","MoKα","","0.026","0.025","","","0.0605","0.061","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223760","4.8413","0.0007","7.3401","0.0011","15.095","0.002","90","","91.729","0.003","90","","536.17","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(3-Bromopropyl)isoindoline-1,3-dione","","- C11 H10 Br N O2 -","- C11 H10 Br N O2 -","- C22 H20 Br2 N2 O4 -","2","1","HB5110","Cheng, Peng-Fei; Wang, Chao-Jie; Wang, Yu-Xia","2-(3-Bromopropyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2009","65","11","o2646","","10.1107/S1600536809038021","","","0.71073","MoKα","","0.0334","0.0255","","","0.0574","0.0602","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223782","10.533","0.002","12.756","0.003","10.659","0.002","90","","117.04","0.03","90","","1275.6","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,19-Diacetyl-12-nitromethyl-14-deoxyandrographolide","3,19-Diacetyl-12-nitromethyl-14-deoxyandrographolide","","- C24 H33 N O9 -","- C24 H33 N O9 -","- C48 H66 N2 O18 -","2","1","HB5144","Jia, Juan; Yao, Cheng","3,19-Diacetyl-12-nitromethyl-14-deoxyandrographolide","Acta Crystallographica Section E","2009","65","11","o2965","","10.1107/S160053680904402X","","","0.71073","MoKα","","0.0868","0.0718","","","0.1861","0.199","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223903","7.7324","0.0015","14.811","0.003","8.715","0.0017","90","","104.006","0.002","90","","968.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN^2^)-1,10- phenanthroline-κ^2^N,N']bis(thiocyanato-κN)cadmium(II)","","- C19 H14 Cd N6 S2 -","- C19 H14 Cd N6 S2 -","- C38 H28 Cd2 N12 S4 -","2","1","LH2919","Wang, Yu Qing; Meng, Lin; Shi, Jing Min","[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN^2^)-1,10-phenanthroline-κ^2^N,N']bis(thiocyanato-κN)cadmium(II)","Acta Crystallographica Section E","2009","65","11","m1317","","10.1107/S1600536809039920","","","0.71073","MoKα","","0.0409","0.0374","","","0.0805","0.0822","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223918","7.7416","0.0003","9.7981","0.0004","9.6717","0.0003","90","","109.075","0.002","90","","693.34","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Bromo-1,3-bis(4-chlorophenyl)prop-2-en-1-one","","- C15 H9 Br Cl2 O -","- C15 H9 Br Cl2 O -","- C30 H18 Br2 Cl4 O2 -","2","1","LX2111","Harrison, William T. A.; Hakim Al-Arique, Q. N. M.; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K.","2-Bromo-1,3-bis(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2648","","10.1107/S160053680903815X","","","0.71073","MoKα","","0.0414","0.036","","","0.0765","0.0792","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224005","8.874","0.003","8.365","0.003","11.292","0.004","90","","100.494","0.003","90","","824.2","0.5","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Iodo-3-phenylisoquinolin-1-yl)pyrrolidine-2,5-dione","","- C19 H13 I N2 O2 -","- C19 H13 I N2 O2 -","- C38 H26 I2 N4 O4 -","2","1","SI2208","Fu, Weijun; Zhu, Mei; Hong, Dongfeng","1-(4-Iodo-3-phenylisoquinolin-1-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2009","65","11","o2802","","10.1107/S1600536809042111","","","0.71073","MoKα","","0.0552","0.0527","","","0.1517","0.154","","","","","","1.142","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224006","9.3056","0.0008","5.9768","0.0004","9.7583","0.0008","90","","110.988","0.003","90","","506.73","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1,3-Dioxoisoindolin-2-yl)propanoic acid","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","SI2209","Raza, Abdul Rauf; Saddiqa, Aisha; Tahir, M. Nawaz; Danish, Muhammad; Majeed, Talat","2-(1,3-Dioxoisoindolin-2-yl)propanoic acid","Acta Crystallographica Section E","2009","65","11","o2678","","10.1107/S1600536809040434","","","0.71073","MoKα","","0.0328","0.0303","","","0.0793","0.0819","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224009","8.832","0.002","5.2321","0.0014","16.588","0.004","90","","102.005","0.003","90","","749.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 2-ethylhexyl sulfoxide","","- C15 H24 O S -","- C15 H24 O S -","- C30 H48 O2 S2 -","2","1","SI2215","Zhi-Guang, Xu; Hai-Yang, Liu; Guo-Bang, Gu; Xuan, Xu; Yun-Xiu, Zeng","Benzyl 2-ethylhexyl sulfoxide","Acta Crystallographica Section E","2009","65","11","o2929","","10.1107/S1600536809044328","","","0.71073","MoKα","","0.0513","0.0394","","","0.0892","0.095","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224010","6.8284","0.0002","6.6209","0.0003","14.717","0.0006","90","","96.7507","0.0011","90","","660.74","0.04","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","Trichodermol","4α-hydroxy-12,13-epoxytrichothec-9-ene","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","SI2217","Cheng, Jing-Li; Zhou, Yong; Lin, Fu-Cheng; Zhao, Jin-Hao; Zhu, Guo-Nian","Trichodermol (4α-hydroxy-12,13-epoxytrichothec-9-ene)","Acta Crystallographica Section E","2009","65","11","o2879","","10.1107/S1600536809044080","","","0.71075","MoKα","","","0.034","","","","0.0946","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224037","11.1256","0.0005","13.9106","0.0007","11.65","0.0006","90","","118.002","0.001","90","","1591.92","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7,11,18,21-Tetraoxatrispiro[5.2.2.5.2.2]heneicosane","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","2","TK2552","Shi, Jiang-Hua; Yuan, Xian-You; Zhang, Min; Ng, Seik Weng","7,11,18,21-Tetraoxatrispiro[5.2.2.5.2.2]heneicosane","Acta Crystallographica Section E","2009","65","11","o2712","","10.1107/S1600536809040884","","","0.71073","MoKα","","0.044","0.039","","","0.104","0.11","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224046","10.621","0.006","7.192","0.004","11.642","0.006","90","","116.076","0.005","90","","798.8","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","","- C21 H15 F O S -","- C21 H15 F O S -","- C42 H30 F2 O2 S2 -","2","1","VM2006","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(4-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2009","65","11","o2766","","10.1107/S1600536809041713","","","0.71073","MoKα","","0.0524","0.05","","","0.1307","0.1328","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224078","11.543","0.002","13.58","0.003","13.345","0.003","90","","114.93","0.03","90","","1897","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7,8,9,10,10a- dodecahydrophenanthrene-1-carboxylic acid","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","2","XU2627","Rao, Xiao-Ping; Song, Zhan-Qian; Shang, Shi-Bin; Wu, Yong","7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid","Acta Crystallographica Section E","2009","65","11","o2804","","10.1107/S1600536809042305","","","0.71073","MoKα","","0.103","0.0619","","","0.1688","0.1938","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224120","6.244","0.0012","7.545","0.0015","11.813","0.002","90","","100.47","0.03","90","","547.26","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-2-Acetamido-3-(4-chlorophenyl)acrylic acid","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C22 H20 Cl2 N2 O6 -","2","1","BQ2173","Tian, Qi-Jian; Ouyang, Hui; Tian, Chun-Lian; Jiang, Yong-Dong","(Z)-2-Acetamido-3-(4-chlorophenyl)acrylic acid","Acta Crystallographica Section E","2009","65","12","o3110","","10.1107/S1600536809048041","","","0.71073","MoKα","","0.0696","0.0519","","","0.173","0.2286","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224151","10.45","0.0005","10.4892","0.0005","15.9377","0.0007","90","","104.277","0.002","90","","1693.01","0.14","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis(1-ferrocenylmethylidene-4-phenylthiosemicarbazidato- κ^2^N^1^,S)zinc(II) monohydrate","","- C36 H34 Fe2 N6 O S2 Zn -","- C36 H34 Fe2 N6 O S2 Zn -","- C72 H68 Fe4 N12 O2 S4 Zn2 -","2","1","CI2959","Vikneswaran, M. R.; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun","Bis(1-ferrocenylmethylidene-4-phenylthiosemicarbazidato-κ^2^N^1^,S)zinc(II) monohydrate","Acta Crystallographica Section E","2009","65","12","m1524","m1525","10.1107/S1600536809046078","","","0.71073","MoKα","","0.0932","0.0688","","","0.1589","0.1741","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224172","5.4003","0.0009","19.155","0.004","10.3891","0.0018","90","","98.862","0.003","90","","1061.8","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua{6,6-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}copper(II) acetonitrile solvate","","- C21 H25 Cu N3 O5 -","- C21 H25 Cu N3 O5 -","- C42 H50 Cu2 N6 O10 -","2","1","CV2650","Wang, Xinfang","Aqua{6,6-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ^4^O,N,N',O'}copper(II) acetonitrile solvate","Acta Crystallographica Section E","2009","65","12","m1658","","10.1107/S1600536809049137","","","0.71073","MoKα","","0.0653","0.0481","","","0.1167","0.1281","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224184","9.0154","0.0018","7.6122","0.0015","17.138","0.003","90","","104.38","0.03","90","","1139.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate","","- C25 H17 Ag N4 O9 -","- C25 H17 Ag N4 O9 -","- C50 H34 Ag2 N8 O18 -","2","1","DN2508","Zhang, Chun-Lan; Jian, Fang-Fang","Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate","Acta Crystallographica Section E","2009","65","12","m1521","","10.1107/S1600536809045905","","","0.71073","MoKα","","0.026","0.0238","","","0.0559","0.0569","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224265","7.7265","0.001","6.4798","0.0008","11.0598","0.0016","90","","92.563","0.014","90","","553.17","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,4R,5S)-4-Hydroxy-3-methyl-5-[(2S,3R)-3- methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3H)-one","","- C11 H18 O3 -","- C11 H18 O3 -","- C22 H36 O6 -","2","1","HB5238","Gille, Annika; Schürmann, Markus; Preut, Hans; Hiersemann, Martin","(3R,4R,5S)-4-Hydroxy-3-methyl-5-[(2S,3R)-3-methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3H)-one","Acta Crystallographica Section E","2009","65","12","o3274","","10.1107/S1600536809050399","","","0.71073","MoKα","","0.061","0.0349","","","0.0465","0.0481","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224340","6.554","0.0008","30.131","0.004","7.1971","0.001","90","","98.5","0.013","90","","1405.7","0.3","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(20S,2''S)-20-[4'-(3''-Hydroxy-2''-methylpropyl)-3'- methylisoxazol-5-yl]-5β-pregnan-3β,16β-diol","","- C29 H47 N O4 -","- C29 H47 N O4 -","- C58 H94 N2 O8 -","2","1","JJ2015","Hernández Linares, María-Guadalupe; Sandoval Ramírez, Jesús; Meza Reyes, Socorro; Montiel Smith, Sara; Bernès, Sylvain","(20S,2''S)-20-[4'-(3''-Hydroxy-2''-methylpropyl)-3'-methylisoxazol-5-yl]-5{β}-pregnan-3β,16β-diol","Acta Crystallographica Section E","2009","65","12","o3265","o3266","10.1107/S1600536809050478","","","0.71073","MoKα","","0.0499","0.0352","","","0.0808","0.0921","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224346","8.1179","0.0007","7.7383","0.0007","21.4249","0.0019","90","","91.527","0.001","90","","1345.4","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-(Dimethylammonio)naphthalene-1-sulfonate dihydrate","","- C12 H17 N O5 S -","- C12 H17 N O5 S -","- C48 H68 N4 O20 S4 -","4","2","LH2934","Xiao, Zuo-an; Zhan, Dan","5-(Dimethylammonio)naphthalene-1-sulfonate dihydrate","Acta Crystallographica Section E","2009","65","12","o3017","","10.1107/S1600536809044596","","","0.71073","MoKα","","0.0433","0.042","","","0.1063","0.1077","","","","","","1.124","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224367","9.6425","0.0019","6.818","0.0014","12.082","0.002","90","","99.25","0.03","90","","784","0.3","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-1-[(S)-(3-Cyanothiomorpholino)carbonyl]-2-methylpropylaminium chloride dihydrate","","- C10 H22 Cl N3 O3 S -","- C10 H22 Cl N3 O3 S -","- C20 H44 Cl2 N6 O6 S2 -","2","1","NC2164","Chen, Pengfei; Liu, Lele; Xiao, Junhai; Zhong, Wu; Li, Song","(R)-1-[(S)-(3-Cyanothiomorpholino)carbonyl]-2-methylpropylaminium chloride dihydrate","Acta Crystallographica Section E","2009","65","12","o3281","","10.1107/S1600536809050624","","","0.71073","MoKα","","0.0322","0.0267","","","0.0646","0.066","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224387","10.5479","0.0006","5.1587","0.0003","11.0157","0.0007","90","","92.011","0.003","90","","599.03","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(Phenylsulfonyl)-L-asparagine","","- C10 H12 N2 O5 S -","- C10 H12 N2 O5 S -","- C20 H24 N4 O10 S2 -","2","1","OM2295","Arshad, Muhammad Nadeem; Mubashar-ur-Rehman, Hafiz; Khan, Islam Ullah; Shafiq, Muhammad; Lo, Kong Mun","N-(Phenylsulfonyl)-L-asparagine","Acta Crystallographica Section E","2009","65","12","o3229","","10.1107/S1600536809050247","","","0.71073","MoKα","","0.0325","0.0289","","","0.0739","0.076","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224430","11.0782","0.0012","7.7495","0.0008","16.7782","0.0017","90","","107.441","0.001","90","","1374.2","0.2","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Bromo-3,5-diphenylbenzene","","- C18 H13 Br -","- C18 H13 Br -","- C72 H52 Br4 -","4","2","SI2218","Wang, Zhi-Qiang; Li, Hong-Mei; Sun, Xiao-Juan; Cen, Fei-Fei; Ji, Bao-Ming","1-Bromo-3,5-diphenylbenzene","Acta Crystallographica Section E","2009","65","12","o3082","","10.1107/S1600536809045061","","","0.71073","MoKα","","0.0389","0.03","","","0.0712","0.0757","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224459","9.1391","0.0005","8.7465","0.0005","14.442","0.001","90","","103.786","0.005","90","","1121.17","0.12","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","4-{(3aS*,6aS*)-4,6-dioxo-1-phenyl-5-[(1R)-1-phenylethyl]- 1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl}phenyl acetate","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C54 H46 N6 O8 -","2","1","TK2563","Fronczek, Chris F.; Dürüst, Yaşar; Yildirim, Muhammet; Fronczek, Frank R.","A cycloaddition product of a chiral maleimide: 4-{(3aS*,6aS*)-4,6-dioxo-1-phenyl-5-[(1R)-1-phenylethyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl}phenyl acetate","Acta Crystallographica Section E","2009","65","12","o3069","","10.1107/S1600536809046790","","","1.54178","CuKα","","0.029","0.029","","","0.076","0.076","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224461","20.8353","0.0004","9.9397","0.0001","15.2043","0.0003","90","","110.63","0.002","90","","2946.85","0.09","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","β-cyclodextrin 10.41-hydrate","","- C42 H90.82 O45.41 -","- C42 H82 O45.409 -","- C84 H164 O90.818 -","2","1","TK2569","Seidel, Rüdiger W.; Koleva, Bojidarka B.","β-Cyclodextrin 10.41-hydrate","Acta Crystallographica Section E","2009","65","12","o3162","o3163","10.1107/S160053680904865X","","","0.71073","MoKα","","0.038","0.032","","","0.08","0.081","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224476","5.22645","0.00009","6.39388","0.00014","11.642","0.0004","90","","90.09","0.001","90","","389.044","0.017","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Serine methyl ester hydrochloride","","- C4 H10 Cl N O3 -","- C4 H10 Cl N O3 -","- C8 H20 Cl2 N2 O6 -","2","1","VM2012","Schouten, Arie; Lutz, Martin","L-Serine methyl ester hydrochloride","Acta Crystallographica Section E","2009","65","12","o3026","","10.1107/S1600536809046480","","","0.71073","MoKα","","0.0254","0.0223","","","0.0565","0.0583","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224505","5.448","0.0001","11.1481","0.0002","21.3152","0.0004","90","","94.472","0.002","90","","1290.63","0.04","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-Chlorophenyl)-N-phenyloxirane-2-carboxamide","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","2","XU2659","He, Long; Chen, Lian-Mei","3-(3-Chlorophenyl)-N-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2009","65","12","o2976","","10.1107/S1600536809045553","","","1.54184","CuKα","","0.0302","0.0281","","","0.0711","0.0724","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224508","5.5124","0.0001","11.1975","0.0002","21.3298","0.0004","90","","94.405","0.002","90","","1312.69","0.04","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-Bromophenyl)-N-phenyloxirane-2-carboxamide","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","2","XU2663","He, Long; Qin, Hong-Mei; Chen, Lian-Mei","3-(3-Bromophenyl)-N-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2009","65","12","o3000","","10.1107/S160053680904584X","","","1.54184","CuKα","","0.0344","0.0335","","","0.0836","0.0843","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224513","11.575","0.002","6.0907","0.0012","12.276","0.003","90","","101.38","0.03","90","","848.4","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(7-Methyl-3-oxo-1-phenylperhydronaphthalen-4a-yl)malononitrile","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C40 H44 N4 O2 -","2","1","XU2670","Kang, Tai-Ran; Chen, Lian-Mei","2-(7-Methyl-3-oxo-1-phenylperhydronaphthalen-4a-yl)malononitrile","Acta Crystallographica Section E","2009","65","12","o3065","","10.1107/S1600536809047175","","","0.71073","MoKα","","0.0505","0.0393","","","0.0807","0.0826","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224563","8.0868","0.0004","13.8605","0.0008","14.8504","0.0008","90","","92.664","0.001","90","","1662.74","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[1,2-Bis(1H-benzimidazol-2-yl-κN^3^)ethane]dichloridozinc(II)","","- C16 H14 Cl2 N4 Zn -","- C16 H14 Cl2 N4 Zn -","- C64 H56 Cl8 N16 Zn4 -","4","2","BT5133","Zhou, Yan-Ling; Zeng, Ming-Hua; Ng, Seik Weng","[1,2-Bis(1H-benzimidazol-2-yl-κN^3^)ethane]dichloridozinc(II)","Acta Crystallographica Section E","2010","66","1","m57","","10.1107/S1600536809052738","","","0.71073","MoKα","","0.0381","0.0286","","","0.0713","0.0766","","","","","","0.973","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224565","9.5821","0.0007","8.7184","0.0007","11.7522","0.0009","90","","107.81","0.004","90","","934.73","0.13","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dimethyl-o-phenylenedimethanol","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","2","BT5136","Gondal, Humaira Yasmeen; Ali, Muhammad; Krief, Alain; Zia-ur-Rehman, Muhammad","3,6-Dimethyl-o-phenylenedimethanol","Acta Crystallographica Section E","2010","66","1","o189","","10.1107/S1600536809053513","","","0.71073","MoKα","","0.115","0.0468","","","0.0972","0.1214","","","","","","0.989","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224607","12.3443","0.0015","9.3455","0.0011","12.5044","0.0015","90","","92.99","0.002","90","","1440.6","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5-(l-Menthyloxy)-5-[(2R,3R)-2-(l- menthyloxy)-5- oxotetrahydrofuran-3-yl]furan-2(5H)-one","","- C28 H44 O6 -","- C28 H44 O6 -","- C56 H88 O12 -","2","1","CV2674","Zhang, Bing-Bing; Fu, Yu-Qin; Tao, Jing-Chao","(S)-5-(l-Menthyloxy)-5-[(2R,3R)-2-(l-menthyloxy)-5-oxotetrahydrofuran-3-yl]furan-2(5H)-one","Acta Crystallographica Section E","2010","66","1","o202","","10.1107/S1600536809053690","","","0.71073","MoKα","","0.0704","0.0413","","","0.094","0.107","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224633","6.2091","0.0002","7.6881","0.0003","11.2838","0.0004","90","","97.211","0.002","90","","534.39","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phenyl piperidine-1-carboxylate","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C24 H30 N2 O4 -","2","1","HB5246","Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Ullah, Saif; Khan, Muhammad Akmal","Phenyl piperidine-1-carboxylate","Acta Crystallographica Section E","2010","66","1","o21","","10.1107/S1600536809050958","","","0.71073","MoKα","","0.0415","0.0348","","","0.0839","0.088","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224638","6.3397","0.0008","4.059","0.0006","15.948","0.002","90","","99.218","0.01","90","","405.09","0.09","100","0.1","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Phenoxyacetohydrazide","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C16 H20 N4 O4 -","2","1","HB5256","Fun, Hoong-Kun; Quah, Ching Kheng; Isloor, Arun M.; Sunil, Dhanya; Shetty, Prakash","2-Phenoxyacetohydrazide","Acta Crystallographica Section E","2010","66","1","o53","o54","10.1107/S1600536809051344","","","0.71073","MoKα","","0.0561","0.0468","","","0.1175","0.1237","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224647","4.5883","0.0001","14.9171","0.0003","13.9203","0.0003","90","","95.153","0.001","90","","948.91","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,10-Diallyloxy-1,2,3,6b,7,8,9,12b-octahydroperylene","","- C26 H28 O2 -","- C26 H28 O2 -","- C52 H56 O4 -","2","1","HB5266","Smith, Terrill D.; Mahindaratne, Mathew P. D.; Penick, Mark A.; Negrete, George R.; Daniels, Lee M.; Tiekink, Edward R. T.","4,10-Diallyloxy-1,2,3,6b,7,8,9,12b-octahydroperylene","Acta Crystallographica Section E","2010","66","1","o96","","10.1107/S160053680905243X","","","1.54187","CuKα","","0.051","0.036","","","0.086","0.104","","","","","","1.26","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224658","8.6199","0.0007","6.637","0.0005","11.7171","0.0009","90","","105.426","0.002","90","","646.19","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Bromospiro[1,2-dioxane-4,4'-tricyclo[4.3.1.1^3,8^]undecane]-3'-ol","","- C14 H21 Br O3 -","- C14 H21 Br O3 -","- C28 H42 Br2 O6 -","2","1","HB5281","Robinson, Tony V.; Taylor, Dennis K.; Tiekink, Edward R. T.","5-Bromospiro[1,2-dioxane-4,4'-tricyclo[4.3.1.1^3,8^]undecane]-3'-ol","Acta Crystallographica Section E","2010","66","1","o247","","10.1107/S1600536809054762","","","0.71069","MoKα","","0.036","0.034","","","0.092","0.094","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224735","8.6313","0.0013","4.9373","0.0008","19.61","0.003","90","","102.359","0.003","90","","816.3","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N'-[(1E)-1-(5-Chloro-2-hydroxyphenyl)propylidene]- 4-methoxybenzohydrazide","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C34 H34 Cl2 N4 O6 -","2","1","PK2217","Zhao, Ren-Gao; Lu, Jie; Chang, Jian-Guo","N'-[(1E)-1-(5-Chloro-2-hydroxyphenyl)propylidene]-4-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","1","o140","","10.1107/S1600536809052878","","","0.71073","MoKα","","0.0699","0.0432","","","0.0826","0.0981","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224763","10.012","0.0004","8.3397","0.0004","11.1235","0.0006","90","","106.622","0.001","90","","889.97","0.07","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","9,10-dibromo-4β-acetoxy-9,10-dibromo-12,13-epoxytrichothec","9,10-dibromo-12,13-epoxytrichothec-9-en-4β-yl acetate","","- C17 H24 Br2 O4 -","- C17 H24 Br2 O4 -","- C34 H48 Br4 O8 -","2","1","SI2228","Zhao, Jin-Hao; Zhou, Yong; Zhang, Jian-Gong; Cheng, Jing-Li; Lin, Fu-Cheng","Dihalogenated trichodermin (4β-acetoxy-9,10-dibromo-12,13-epoxytrichothec)","Acta Crystallographica Section E","2010","66","1","o210","","10.1107/S1600536809054178","","","0.71073","MoKα","","0.0595","0.0318","","","0.0641","0.095","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224825","5.4818","0.0003","14.8358","0.0007","11.3403","0.0006","90","","94.6807","0.0015","90","","919.2","0.08","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R)-Ethyl 4-(4-chlorophenyl)-2-hydroxy -5-oxo-2,3,4,5-tetrahydropyrano[3,2-c]chromene-2-carboxylate","","- C21 H17 Cl O6 -","- C21 H17 Cl O6 -","- C42 H34 Cl2 O12 -","2","1","ZQ2019","Wang, Yifeng; Zhang, Wei; Xu, Xiangsheng; Zhang, Guangcun","(4R)-Ethyl 4-(4-chlorophenyl)-2-hydroxy-5-oxo-2,3,4,5-tetrahydropyrano[3,2-c]chromene-2-carboxylate","Acta Crystallographica Section E","2010","66","1","o217","","10.1107/S1600536809051976","","","0.71073","MoKα","","0.04","0.031","","","0.073","0.08","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224838","9.25","0.006","7.499","0.004","9.596","0.006","90","","113.695","0.01","90","","609.5","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4'-Formylbiphenyl-4-yl acetate","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","BG2320","Xu, Sheng-guang; Liu, Jun-shen; Wang, Chun-hua; Ji, Chun-nuan; Liu, Gang","4'-Formylbiphenyl-4-yl acetate","Acta Crystallographica Section E","2010","66","2","o398","","10.1107/S1600536810001534","","","0.71073","MoKα","","0.0419","0.0335","","","0.0852","0.0908","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224840","10.432","0.003","7.923","0.0019","12.191","0.003","90","","113.493","0.002","90","","924.1","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12-\ hexaazatetracyclo[5.5.0.0^5,9^.0^3,11^]dodecane acetone solvate","","- C10 H13 N11 O12 -","- C10 H13 N11 O12 -","- C20 H26 N22 O24 -","2","1","BG2324","Chen, Huaxiong; Li, Lijie; Liu, Sufen; Chen, Shusen; Jin, Shaohua","10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0^5,9^.0^3,11^]dodecane acetone solvate","Acta Crystallographica Section E","2010","66","2","o452","","10.1107/S1600536810002813","","","0.71073","MoKα","","0.0409","0.0349","","","0.0626","0.0664","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224844","6.8657","0.0004","9.9258","0.0017","7.004","0.0005","90","","90.892","0.006","90","","477.25","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,8aS)-3-Ethylperhydropyrrolo[1,2-a]pyrazine-1,4-dione","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C18 H28 N4 O4 -","2","1","BH2268","Bortoluzzi, Adailton J.; Souza, Luciana B. P.; Joussef, Antonio C.","(3R,8aS)-3-Ethylperhydropyrrolo[1,2-a]pyrazine-1,4-dione","Acta Crystallographica Section E","2010","66","2","o417","o418","10.1107/S1600536810001856","","","0.71073","MoKα","","0.074","0.0442","","","0.108","0.1196","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224853","10.4487","0.0006","18.598","0.001","12.3179","0.0008","90","","112.957","0.004","90","","2204.1","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Monolanthanum tripotassium tetrahydrogen decamolybdodicobaltate(III) tridecahydrate","","- Co2 H30 K3 La Mo10 O51 -","- Co2 H30 K3 La Mo10 O51 -","- Co4 H60 K6 La2 Mo20 O102 -","2","1","BR2132","Lee, Uk; Joo, Hea-Chung","Monolanthanum tripotassium tetrahydrogen decamolybdodicobaltate(III) tridecahydrate","Acta Crystallographica Section E","2010","66","2","i10","","10.1107/S1600536810000929","","","0.71069","MoKα","","0.026","0.0253","","","0.0687","0.0694","","","","","","1.101","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2224931","7.5351","0.0006","7.8575","0.0008","9.4057","0.0009","90","","92.839","0.011","90","","556.2","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(2-Naphthyl)-1,3-dioxane","","- C14 H14 O2 -","- C14 H14 O2 -","- C28 H28 O4 -","2","1","CV2685","Thevenet, Damien; Neier, Reinhard; Stoeckli-Evans, Helen","2-(2-Naphthyl)-1,3-dioxane","Acta Crystallographica Section E","2010","66","2","o473","o474","10.1107/S1600536810000644","","","0.71073","MoKα","","0.0298","0.0237","","","0.0589","0.0609","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224959","6.0073","0.0005","13.3348","0.0011","11.2743","0.0008","90","","99.271","0.006","90","","891.34","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,5aS,6S,8aR,8bR,9aS)- 1-Hydroxy-6-isopropyl-1,3a,5a- trimethylperhydrocyclopenta[a]cyclopropa[i]naphthalen-4-one","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","FL2288","Brito, Iván; Bórquez, Jorge; Loyola, Luis Alberto; Bolte, Michael; Albanez, Joselyn","(1R,3aR,5aS,6S,8aR,8bR,9aS)-1-Hydroxy-6-isopropyl-1,3a,5a-trimethylperhydrocyclopenta[a]cyclopropa[i]naphthalen-4-one","Acta Crystallographica Section E","2010","66","2","o356","o357","10.1107/S1600536810001169","","","0.71073","MoKα","","0.0454","0.0406","","","","0.0997","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224976","8.7332","0.0005","5.8757","0.0003","12.965","0.0007","90","","103.317","0.003","90","","647.39","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4-Benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate","","- C12 H15 N O5 S -","- C12 H15 N O5 S -","- C24 H30 N2 O10 S2 -","2","1","HB5289","Cunico, Wilson; Gomes, Claudia R. B.; Tiekink, Edward R. T.; Vellasco Junior, Walcimar T.; Wardell, James L.; Wardell, Solange M. S. V.","(4-Benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate","Acta Crystallographica Section E","2010","66","2","o267","o268","10.1107/S1600536809055020","","","0.71073","MoKα","","0.072","0.057","","","0.111","0.123","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224983","6.2346","0.0017","27.793","0.008","7.285","0.002","90","","91.296","0.005","90","","1262","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(4-Amino-3-methylbenzenesulfonato)tri-μ-aqua-pentaaquadisodium 4-amino-3-methylbenzenesulfonate","","- C14 H32 N2 Na2 O14 S2 -","- C14 H32 N2 Na2 O14 S2 -","- C28 H64 N4 Na4 O28 S4 -","2","1","HB5297","Tai, Xi-Shi; Zhang, Fu-Gong","(4-Amino-3-methylbenzenesulfonato)tri-μ-aqua-pentaaquadisodium 4-amino-3-methylbenzenesulfonate","Acta Crystallographica Section E","2010","66","2","m125","m126","10.1107/S1600536809055512","","","0.71073","MoKα","","0.041","0.0382","","","0.0941","0.0966","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224984","4.8703","0.0002","9.5525","0.0005","14.0804","0.0006","90","","98.353","0.002","90","","648.12","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(Z)-(5-Methyl-2-pyridyl)iminiomethyl]-2-naphtholate","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","HB5298","Liu, Xin-Yu; Fan, Yu-Hua; Wang, Qiang; Bi, Cai-Feng; Wang, Yu-Fang","1-[(Z)-(5-Methyl-2-pyridyl)iminiomethyl]-2-naphtholate","Acta Crystallographica Section E","2010","66","2","o309","","10.1107/S1600536810000346","","","0.71073","MoKα","","0.0522","0.0379","","","0.098","0.1092","","","","","","0.98","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224998","9.759","0.003","6.6712","0.0017","14.927","0.004","90","","90.002","0.004","90","","971.8","0.5","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6β-Acetoxy-1α,7β,11β,15β-tetrahydroxy-7α,20-epoxy-ent-kaur-16-ene","","- C22 H32 O7 -","- C22 H32 O7 -","- C44 H64 O14 -","2","1","HG2621","Yan, Fu-Lin; Li, Peng; Di, Xue-Mei; Feng, Chuang; Hou, Rui-Jie","6β-Acetoxy-1α,7β,11β,15β-tetrahydroxy-7α,20-epoxy-ent-kaur-16-ene","Acta Crystallographica Section E","2010","66","2","o295","","10.1107/S1600536810000231","","","0.71073","MoKα","","0.0301","0.0277","","","0.0631","0.064","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225026","8.4721","0.0015","8.2111","0.0009","8.712","0.0015","90","","101.53","0.014","90","","593.82","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4-Bis(1H-pyrrol-2-yl)pentanol","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","IS2505","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","4,4-Bis(1H-pyrrol-2-yl)pentanol","Acta Crystallographica Section E","2010","66","2","o393","","10.1107/S1600536809054269","","","0.71073","MoKα","","0.0337","0.0303","","","0.0761","0.0772","","","","","","0.971","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225028","9.705","0.001","5.406","0.001","13.116","0.002","90","","96.58","0.01","90","","683.6","0.18","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","Valyl benzyl ester chloride","1-benzyloxy-3-methyl-1-oxobutan-2-aminium chloride","","- C12 H18 Cl N O2 -","- C12 H18 Cl N O2 -","- C24 H36 Cl2 N2 O4 -","2","1","IS2507","Dutkiewicz, Grzegorz; Siddaraju, B. P.; Yathirajan, H. S.; Mayekar, A. N.; Kubicki, Maciej","Valyl benzyl ester chloride","Acta Crystallographica Section E","2010","66","2","o324","","10.1107/S1600536810000176","","","0.71073","MoKα","","0.046","0.0339","","","0.0732","0.0771","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225048","9.5514","0.0007","5.7762","0.0005","13.1324","0.0009","90","","92.126","0.012","90","","724.03","0.1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-Dihydroxy-2-(3-methylbut-2-enyl)-3-oxo-2,3-dihydro-1H-indene-1- carboxylic acid monohydrate","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","LH2966","Franscisco, Acácio Ivo; de Silveira, Gleiciani; Resende, Jackson A. L. C.; Balliano, Tatiane L.; Malta, Valéria R. S.; Pinto, Antonio Ventura","1,2-Dihydroxy-2-(3-methylbut-2-enyl)-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid monohydrate","Acta Crystallographica Section E","2010","66","2","o341","","10.1107/S1600536810000516","","","0.71073","MoKα","","0.0524","0.037","","","","0.0932","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225051","6.0553","0.0002","11.3612","0.0004","8.2946","0.0003","90","","105.085","0.0014","90","","550.97","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4-O-Isopropylidene-2-C-methyl-D-galactonolactone","","- C10 H16 O6 -","- C10 H16 O6 -","- C20 H32 O12 -","2","1","LH2976","Dai, N.; Jenkinson, S. F.; Fleet, G. W. J.; Watkin, D. J.","3,4-O-Isopropylidene-2-C-methyl-D-galactonolactone","Acta Crystallographica Section E","2010","66","2","o406","o407","10.1107/S1600536810001613","","","0.71073","MoKα","","0.0318","0.0288","","0.0675","0.0658","0.0675","","","","","","0.9813","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225053","7.8937","0.0005","13.3471","0.001","14.9208","0.001","90","","103.565","0.004","90","","1528.17","0.18","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1-Carboxymethyl-1,4-anhydro-2,3-O-isopropylidene-α-D- erythrofuranosyl)thymine","","- C14 H18 N2 O7 -","- C14 H18 N2 O7 -","- C56 H72 N8 O28 -","4","2","LH2979","Lenagh-Snow, G. M. J.; Jenkinson, S. F.; Stewart, A. J.; Fleet, G. W. J.; Watkin, D. J.","1-(1-Carboxymethyl-1,4-anhydro-2,3-O-isopropylidene-α-D-erythrofuranosyl)thymine","Acta Crystallographica Section E","2010","66","2","o404","","10.1107/S1600536810001704","","","0.71073","MoKα","","0.0649","0.0469","","0.1136","0.103","0.1136","","","","","","0.9449","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225065","7.377","0.002","19.831","0.004","9.025","0.002","90","","101.367","0.003","90","","1294.4","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran","","- C15 H11 F O3 S -","- C15 H11 F O3 S -","- C60 H44 F4 O12 S4 -","4","2","NG2699","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2010","66","2","o258","","10.1107/S1600536809055068","","","0.71073","MoKα","","0.0731","0.0491","","","0.1011","0.115","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225071","10.5799","0.0002","7.1788","0.0001","11.9361","0.0002","90","","110.031","0.001","90","","851.72","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Ethylsulfanyl-2-(4-fluorophenyl)-5-phenyl-1-benzofuran","","- C22 H17 F O S -","- C22 H17 F O S -","- C44 H34 F2 O2 S2 -","2","1","NG2718","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-Ethylsulfanyl-2-(4-fluorophenyl)-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2010","66","2","o336","","10.1107/S1600536810000760","","","0.71073","MoKα","","0.0305","0.0297","","","0.0788","0.0794","","","","","","1.143","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225085","9.918","0.005","10.212","0.006","14.077","0.007","90","","108.542","0.006","90","","1351.7","1.2","293","2","293","2","1","","","","","","","3","P 1 21 1","P 2yb","4","","24-Methylenecycloartanone","","- C31 H50 O -","- C31 H50 O -","- C62 H100 O2 -","2","1","PK2219","Xiong, Hui-Ping; Wu, Zhi-Jun; Chen, Fa-Tang; Chen, Wan-Sheng","24-Methylenecycloartanone","Acta Crystallographica Section E","2010","66","2","o260","o261","10.1107/S1600536809055123","","","0.71073","MoKα","","0.0722","0.0516","","","0.124","0.1334","","","","","","0.911","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225098","7.2387","0.0014","39.239","0.008","10.297","0.002","90","","90.25","0.03","90","","2924.7","1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-1-(4-Chlorophenyl)-3-[4-(2,3,4,6-tetra-O-acetyl-β-D- allopyranosyloxy)phenyl]prop-2-en-1-one","","- C29 H29 Cl O11 -","- C29 H29 Cl O11 -","- C116 H116 Cl4 O44 -","4","2","RZ2404","Zhang, Kuan; Bai, Xue; Chen, Hua-Feng; Li, Ying; Yin, Shu-Fan","(E)-1-(4-Chlorophenyl)-3-[4-(2,3,4,6-tetra-O-acetyl-β-D-allopyranosyloxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2010","66","2","o310","","10.1107/S1600536809055652","","","0.71073","MoKα","","0.0842","0.0669","","","0.166","0.1887","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225153","8.2993","0.0006","9.9445","0.0007","12.4884","0.001","90","","96.323","0.002","90","","1024.43","0.13","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl (2S,4R)-4-(4-bromophenyl)-2-hydroxy-5,10-dioxo-3,4,5,10- tetrahydro-2H-benzo[g]chromene-2-carboxylate","","- C22 H17 Br O6 -","- C22 H17 Br O6 -","- C44 H34 Br2 O12 -","2","1","ZQ2026","Zhang, Wei; Wang, Yifeng; Zhang, Guangcun; Xu, Xiangsheng","Ethyl (2S,4R)-4-(4-bromophenyl)-2-hydroxy-5,10-dioxo-3,4,5,10-tetrahydro-2H-benzo[g]chromene-2-carboxylate","Acta Crystallographica Section E","2010","66","2","o388","","10.1107/S1600536810001315","","","0.71073","MoKα","","0.1084","0.0371","","","0.083","0.122","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225174","8.82","0.0005","9.7603","0.0006","10.171","0.0006","90","","94.97","0.001","90","","872.29","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-Perillaldehyde azine","","- C20 H28 N2 -","- C20 H28 N2 -","- C40 H56 N4 -","2","1","BT5184","Han, Li-Lu; Shi, Jiang-Hua; Yan, De-Peng; Ng, Seik Weng","(S)-Perillaldehyde azine","Acta Crystallographica Section E","2010","66","3","o561","","10.1107/S1600536810004071","","","0.71073","MoKα","","0.0525","0.0464","","","0.1364","0.1405","","","","","","1.12","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225181","5.8061","0.0007","10.5146","0.0013","11.4477","0.0014","90","","91.547","0.002","90","","698.61","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","8-[2,3-dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","BT5194","Julaeha, Euis; Supratman, Unang; Mukhtar, Mat Ropi; Awang, Khalijah; Ng, Seik Weng","Meranzin hydrate from Muraya paniculata","Acta Crystallographica Section E","2010","66","3","o620","","10.1107/S1600536810005386","","","0.71073","MoKα","","0.0513","0.0383","","","0.0926","0.1015","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225212","11.1494","0.0011","7.8552","0.0008","14.6317","0.0014","90","","109.535","0.002","90","","1207.7","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3β-chlorocholest-5-en-7-one","","- C27 H43 Cl O -","- C27 H43 Cl O -","- C54 H86 Cl2 O2 -","2","1","CV2698","Khan, Mohd. Shaheen; Sulaiman, Othman; Hashim, Rokiah; Hemamalini, Madhukar; Fun, Hoong-Kun","3β-Chlorocholest-5-en-7-one","Acta Crystallographica Section E","2010","66","3","o688","","10.1107/S1600536810006380","","","0.71073","MoKα","","0.0472","0.0376","","","0.0908","0.0974","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225253","4.548","0.0009","12.423","0.003","10.971","0.002","90","","91.9","0.03","90","","619.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N'-(4-Chlorobenzylidene)furan-2-carbohydrazide monohydrate","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C24 H22 Cl2 N4 O6 -","2","1","HB5316","Jiang, Jin-He","N'-(4-Chlorobenzylidene)furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2010","66","3","o627","","10.1107/S1600536810005532","","","0.71073","MoKα","","0.0869","0.0446","","","0.1057","0.145","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225261","10.14","0.002","5.7779","0.0012","16.691","0.003","90","","104.79","0.03","90","","945.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl [1-(4-bromophenyl)-1-hydroxy-3-oxobutyl](phenyl)phosphinate monohydrate","","- C18 H22 Br O5 P -","- C18 H22 Br O5 P -","- C36 H44 Br2 O10 P2 -","2","1","HB5328","Samanta, Sampak; Perera, Sandun; Broker, Grant A.; Zhao, Cong-Gui; Tiekink, Edward R. T.","Ethyl [1-(4-bromophenyl)-1-hydroxy-3-oxobutyl](phenyl)phosphinate monohydrate","Acta Crystallographica Section E","2010","66","3","o569","","10.1107/S160053681000437X","","","0.7107","MoKα","","0.048","0.044","","","0.091","0.094","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225325","11.9706","0.0005","10.1934","0.0004","13.1515","0.0005","90","","116.546","0.002","90","","1435.58","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","tetrahydroisoquinoline","{(1R,3S)-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4- tetrahydroisoquinolin-3-yl}diphenylmethanol","","- C37 H35 N O3 -","- C37 H35 N O3 -","- C74 H70 N2 O6 -","2","1","LX2135","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E.M.","{(1R,3S)-2-Benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl}diphenylmethanol","Acta Crystallographica Section E","2010","66","3","o638","","10.1107/S1600536810005295","","","1.54184","CuKα","","0.0261","0.0254","","","0.0676","0.0683","","","","","","1.104","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225339","5.3395","0.0007","9.3355","0.0015","10.1432","0.0013","90","","100.864","0.01","90","","496.55","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1-Naphthylmethyl)ammonium chloride","","- C11 H12 Cl N -","- C11 H12 Cl N -","- C22 H24 Cl2 N2 -","2","1","OM2314","Salimi, Ali R.; Azizpoor Fard, Mahmood; Eshtiagh-Hosseini, Hossein; M. Amini, Mostafa; Khavasi, Hamid R.","(1-Naphthylmethyl)ammonium chloride","Acta Crystallographica Section E","2010","66","3","o509","","10.1107/S160053681000334X","","","0.71073","MoKα","","0.0781","0.0544","","","0.092","0.0999","","","","","","1.193","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225385","6.6699","0.0002","6.6335","0.0002","30.2948","0.0008","90","","92.799","0.001","90","","1338.79","0.07","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","α-Costic anhydride","2-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)acrylic acid anhydride","","- C30 H42 O3 -","- C30 H42 O3 -","- C60 H84 O6 -","2","1","TK2617","Tebbaa, Mohamed; Akssira, Mohamed; Elhakmaoui, Ahmed; El Ammari, Lahcen; Benharref, Ahmed; Berraho, Moha","α-Costic anhydride","Acta Crystallographica Section E","2010","66","3","o589","o590","10.1107/S1600536810005064","","","0.71073","MoKα","","0.0495","0.0427","","","0.1029","0.1088","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225425","10.1808","0.0011","11.0611","0.0013","10.4207","0.0012","90","","106.201","0.001","90","","1126.9","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R~P~)-Menthyl (1-hydroxycyclohexyl)phenylphosphinate","","- C22 H35 O3 P -","- C22 H35 O3 P -","- C44 H70 O6 P2 -","2","1","BH2267","Fu, Baoci; Zhao, Chang-Qiu","(R~P~)-Menthyl (1-hydroxycyclohexyl)phenylphosphinate","Acta Crystallographica Section E","2010","66","4","o859","","10.1107/S1600536810009219","","","0.71073","MoKα","","0.0507","0.0393","","","0.087","0.0956","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225452","6.8977","0.0001","7.9761","0.0001","13.068","0.0002","90","","99.194","0.001","90","","709.722","0.018","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydroxy-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione monohydrate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","BT5199","Ourahou, S.; Chammache, M.; Zouihri, H.; Essassi, El Mokhtar; Ng, Seik Weng","2-Hydroxy-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione monohydrate","Acta Crystallographica Section E","2010","66","4","o731","","10.1107/S1600536810006896","","","0.71073","MoKα","","0.0311","0.0291","","","0.0824","0.0943","","","","","","1.1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225492","12.4777","0.0011","5.797","0.0007","15.419","0.0019","90","","100.727","0.001","90","","1095.8","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S~P~)-Menthyl benzyl(phenyl)phosphonate","","- C23 H31 O2 P -","- C23 H31 O2 P -","- C46 H62 O4 P2 -","2","1","BX2269","Wang, Wei-Min; Zhao, Chang-Qiu","(S~P~)-Menthyl benzyl(phenyl)phosphonate","Acta Crystallographica Section E","2010","66","4","o863","","10.1107/S1600536810009372","","","0.71073","MoKα","","0.0877","0.0658","","","0.1567","0.1697","","","","","","0.89","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225517","6.9274","0.0005","5.0074","0.0004","16.2388","0.0015","90","","94.483","0.005","90","","561.57","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl N-[(S)-1-hydrazinecarbonyl-2-hydroxyethyl]carbamate","","- C8 H17 N3 O4 -","- C8 H17 N3 O4 -","- C16 H34 N6 O8 -","2","1","HB5376","Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","tert-Butyl N-[(S)-1-hydrazinecarbonyl-2-hydroxyethyl]carbamate","Acta Crystallographica Section E","2010","66","4","o994","","10.1107/S1600536810011438","","","0.71073","MoKα","","0.068","0.046","","","0.11","0.149","","","","","","1.23","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225522","6.6303","0.0001","10.672","0.0002","11.6748","0.0002","90","","96.636","0.001","90","","820.56","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Pentacarbonyl{3-[(2S)-1-methylpyrrolidin-2-yl]pyridine}tungsten(0)","","- C15 H14 N2 O5 W -","- C15 H14 N2 O5 W -","- C30 H28 N4 O10 W2 -","2","1","EZ2203","Onani, Martin O.; Lalancette, Roger A.; Muriithi, Naftali T.; Nyawade, Eunice A.; Kgarebe, Boitumelo V.","Pentacarbonyl{3-[(2S)-1-methylpyrrolidin-2-yl]pyridine}tungsten(0)","Acta Crystallographica Section E","2010","66","4","m480","","10.1107/S1600536810010974","","","1.54178","CuKα","","0.014","0.014","","","0.033","0.033","","","","","","1.13","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225527","7.6604","0.0004","9.7796","0.0004","16.8301","0.0008","90","","96.398","0.002","90","","1252.99","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate","","- C25 H40 Cl N O3 -","- C25 H40 Cl N O3 -","- C50 H80 Cl2 N2 O6 -","2","1","FB2184","Benn, Michael; Vohra, Kanwal Nain; Parvez, Masood","(20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate","Acta Crystallographica Section E","2010","66","4","o933","","10.1107/S1600536810008883","","","0.71073","MoKα","","0.0617","0.057","","","0.1492","0.154","","","","","","1.131","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225536","10.921","0.001","7.2225","0.0008","11.74","0.001","90","","115.132","0.006","90","","838.35","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Chlorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","","- C21 H15 Cl O S -","- C21 H15 Cl O S -","- C42 H30 Cl2 O2 S2 -","2","1","FL2295","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(4-Chlorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2010","66","4","o802","","10.1107/S1600536810008706","","","0.71073","MoKα","","0.0373","0.0349","","","0.0905","0.0926","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225546","6.4831","0.0007","19.265","0.002","9.7062","0.0011","90","","98.848","0.002","90","","1197.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[[triaquasulfatozinc(II)]-μ-3,3'-bis(3-pyridyl)- 1,1'-(m-phenylene)diurea] methanol solvate monohydrate]","","- C19 H28 N6 O11 S Zn -","- C19 H28 N6 O11 S Zn -","- C38 H56 N12 O22 S2 Zn2 -","2","1","HB5311","Adarsh, N. N.; Dastidar, Parthasarathi","catena-Poly[[[triaquasulfatozinc(II)]-μ-3,3'-bis(3-pyridyl)-1,1'-(m-phenylene)diurea] methanol solvate monohydrate]","Acta Crystallographica Section E","2010","66","4","m413","m414","10.1107/S1600536810009268","","","0.71073","MoKα","","0.0327","0.0314","","","0.0673","0.0678","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225549","11.101","0.0012","7.6637","0.0008","24.383","0.003","90","","93.036","0.002","90","","2071.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16α-Bromo-17β-hydroxy-5α-androstan-3β-yl acetate","","- C21 H33 Br O3 -","- C21 H33 Br O3 -","- C84 H132 Br4 O12 -","4","2","HB5324","Shi, Rui; Zhang, Chun-Sheng; Wei, Kun","16α-Bromo-17β-hydroxy-5α-androstan-3β-yl acetate","Acta Crystallographica Section E","2010","66","4","o750","","10.1107/S1600536810007555","","","0.71073","MoKα","","0.1701","0.0525","","","0.0891","0.1254","","","","","","0.872","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225558","4.2981","0.0007","12.995","0.002","15.728","0.003","90","","96.493","0.003","90","","872.8","0.3","100","0.1","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(2,6-dichlorobenzylidene)propane-1,2-diamine","","- C17 H14 Cl4 N2 -","- C17 H14 Cl4 N2 -","- C34 H28 Cl8 N4 -","2","1","HB5345","Yeap, Chin Sing; Hemamalini, Madhukar; Fun, Hoong-Kun","N,N'-Bis(2,6-dichlorobenzylidene)propane-1,2-diamine","Acta Crystallographica Section E","2010","66","4","o753","","10.1107/S160053681000766X","","","0.71073","MoKα","","0.0629","0.0425","","","0.0937","0.1049","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225615","6.0244","0.001","8.1033","0.0014","10.3981","0.0018","90","","96.016","0.002","90","","504.81","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4S)-1-benzylpyrrolidine-3,4-diol","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","JJ2016","Lu, Li-Hua; Sun, Xiao-Li; Wang, Ping-An","(3S,4S)-1-Benzylpyrrolidine-3,4-diol","Acta Crystallographica Section E","2010","66","4","o928","","10.1107/S1600536809055391","","","0.71073","MoKα","","0.035","0.0324","","","0.1003","0.105","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225663","6.6838","0.001","18.843","0.002","10.8716","0.001","90","","104.918","0.017","90","","1323.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(R)-Hydroxy(6-methoxyquinolinium-4-yl)methyl]-8-vinyl-1- azoniabicyclo[2.2.2]octane tetrachloridoferrate(III) chloride monohydrate","","- C20 H28 Cl5 Fe N2 O3 -","- C20 H28 Cl5 Fe N2 O3 -","- C40 H56 Cl10 Fe2 N4 O6 -","2","1","NG2725","Chen, Li-Zhuang; Huang, Mei-Na","2-[(R)-Hydroxy(6-methoxyquinolinium-4-yl)methyl]-8-vinyl-1-azoniabicyclo[2.2.2]octane tetrachloridoferrate(III) chloride monohydrate","Acta Crystallographica Section E","2010","66","4","m377","","10.1107/S1600536810007889","","","0.71073","MoKα","","0.072","0.0479","","","0.1068","0.1177","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225687","11.869","0.0004","7.0388","0.0003","14.1173","0.0005","90","","94.962","0.002","90","","1174.99","0.08","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Isoeichlerialactone","3-{(3S,3aR,5aR,6S,7S,9aR,9bR)- 6,9a,9b-trimethyl-3-[(R)-2-methyl-5-oxotetrahydrofuran-2-yl]-7- (prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6- yl}propanoic acid","","- C27 H42 O4 -","- C27 H42 O4 -","- C54 H84 O8 -","2","1","RZ2425","Fun, Hoong-Kun; Joycharat, Nantiya; Voravuthikunchai, Supayang Piyawan; Chantrapromma, Suchada","Absolute configuration of isoeichlerialactone","Acta Crystallographica Section E","2010","66","4","o879","o880","10.1107/S1600536810009499","","","1.54178","CuKα","","0.0293","0.0289","","","0.0752","0.0755","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225701","11.3972","0.0005","10.1329","0.0004","13.8151","0.0005","90","","107.976","0.001","90","","1517.58","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,NR)-3-Hydroxymethyl-2-methyl-2-(3-methylbut-2-en-1-yl)- 1,2,3,4-tetrahydroisoquinolinium bromide‒1,1'-bi-2-naphthol (1/1)","","- C36 H38 Br N O3 -","- C36 H38 Br N O3 -","- C72 H76 Br2 N2 O6 -","2","1","XU2720","Wu, Xiao-Qing; Huang, Qing-Chun; Chen, Xiao-Zhen; Li, Guo-You; Zhang, Guo-Lin","(3S,NR)-3-Hydroxymethyl-2-methyl-2-(3-methylbut-2-en-1-yl)-1,2,3,4-tetrahydroisoquinolinium bromide‒1,1'-bi-2-naphthol (1/1)","Acta Crystallographica Section E","2010","66","4","o768","","10.1107/S1600536810007944","","","0.71073","MoKα","","0.0908","0.0453","","","0.1089","0.1798","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225710","10.6399","0.0009","7.0001","0.0005","11.5765","0.0012","90","","92.64","0.005","90","","861.31","0.13","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","16-O-Methylcafestol","(3bS,5aS,7R,8R,10aR,10bS)- 7-methoxy-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methano- 5aH-cycloheptal[5,6]naphtho[2,1-b]furan-7-methanol","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","XU2727","Liao, Xia-Li; Chen, Xiao-Zhen; Yu, Kai-Bei; Li, Guo-You","16-O-Methylcafestol","Acta Crystallographica Section E","2010","66","4","o760","","10.1107/S1600536810007920","","","0.71073","MoKα","","0.0348","0.0308","","","0.0669","0.0688","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225739","8.2097","0.0012","5.5344","0.0005","14.293","0.002","90","","98.531","0.012","90","","642.23","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methylbenzyl 4-aminobenzoate","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","TK2629","Haider, Ali; Akhter, Zareen; Khan, Mohammad Saif Ullah; Bolte, Michael; Siddiqi, Humaira M.","4-Methylbenzyl 4-aminobenzoate","Acta Crystallographica Section E","2010","66","4","o736","","10.1107/S1600536810007075","","","0.71073","MoKα","","0.0642","0.0427","","","0.0873","0.0935","","","","","","0.91","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225740","9.5077","0.0006","7.3257","0.0005","14.983","0.001","90","","101.615","0.001","90","","1022.2","0.12","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6R)-2-tert-Butyl-6-[(4R,5S)-3-isopropyl-4-methyl- 5-phenyloxazolidin-2-yl]phenol","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C46 H62 N2 O4 -","2","1","ZL2268","Koyanagi, Takaoki; Edler, Kate L.; Parrott, II, Raleigh W.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(6R)-2-tert-Butyl-6-[(4R,5S)-3-isopropyl-4-methyl-5-phenyloxazolidin-2-yl]phenol","Acta Crystallographica Section E","2010","66","4","o898","o899","10.1107/S1600536810009591","","","0.71073","MoKα","","","0.03","","","","0.0818","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225743","8.3288","0.0008","9.8657","0.0009","11.4325","0.0011","90","","91.667","0.001","90","","939","0.15","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S)-2-tert-Butyl-6-[(4S/i>,5R)-3,4-dimethyl- 5-phenyloxazolidin-2-yl]phenol","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","ZL2269","Anderson, Alexander E.; Edler, Kate L.; Parrott, II, Raleigh W.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(6S)-2-tert-Butyl-6-[(4S,5R)-3,4-dimethyl-5-phenyloxazolidin-2-yl]phenol","Acta Crystallographica Section E","2010","66","4","o902","o903","10.1107/S1600536810009190","","","0.71073","MoKα","","0.0293","0.0275","","","","0.0743","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225752","13.145","0.003","10.787","0.002","14.074","0.003","90","","105.553","0.003","90","","1922.6","0.7","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","15α,20β-Dihydroxy-6β-methoxy-6,7-seco-6,20-epoxy-1,7-olide- ent-kaur-16-ene","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","2","ZS2031","Yan, Fu-Lin; Zhan, He-Qin; Feng, Chuang; Di, Xue-Mei","15α,20β-Dihydroxy-6β-methoxy-6,7-seco-6,20-epoxy-1,7-olide-ent-kaur-16-ene","Acta Crystallographica Section E","2010","66","4","o930","","10.1107/S1600536810010573","","","0.71073","MoKα","","0.0349","0.0324","","","0.0773","0.0785","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225755","10.9207","0.0004","13.6312","0.0005","12.2121","0.0005","90","","106.896","0.001","90","","1739.45","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis(dicyclohexylphenylphosphine)silver(I) nitrate","","- C36 H54 Ag N O3 P2 -","- C36 H54 Ag N O3 P2 -","- C72 H108 Ag2 N2 O6 P4 -","2","1","BG2336","Burgoyne, Andrew R.; Meijboom, Reinout; Muller, Alfred; Omondi, Bernard","Bis(dicyclohexylphenylphosphine)silver(I) nitrate","Acta Crystallographica Section E","2010","66","5","m503","m504","10.1107/S1600536810011724","","","0.71073","MoKα","","","0.0211","","","","0.055","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225830","10.148","0.002","7.117","0.001","11.991","0.002","90","","110.047","0.002","90","","813.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Fluorophenyl)-3-methylsulfinyl-5-phenyl-1-benzofuran","","- C21 H15 F O2 S -","- C21 H15 F O2 S -","- C42 H30 F2 O4 S2 -","2","1","FB2185","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(4-Fluorophenyl)-3-methylsulfinyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2010","66","5","o1167","","10.1107/S1600536810014613","","","0.71073","MoKα","","0.0347","0.0317","","","0.083","0.0859","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225840","10.771","0.007","8.662","0.005","15.961","0.01","90","","105.417","0.011","90","","1435.6","1.5","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,5,11,14-Tetraoxa-8-azadispiro[13.4.0]nonadeca-15,17,19-triene","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","2","FK2017","Gan, Quanying; Yang, Liping; Guo, Peng; Yang, Jin; Duan, Zhongyu","2,5,11,14-Tetraoxa-8-azadispiro[13.4.0]nonadeca-15,17,19-triene","Acta Crystallographica Section E","2010","66","5","o1128","","10.1107/S1600536810013929","","","0.71073","MoKα","","0.0979","0.0649","","","0.1494","0.175","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225863","5.5006","0.0009","7.5246","0.0012","14.116","0.002","90","","97.902","0.005","90","","578.71","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","5,6-Di-2-thienyl-2,3-dihydropyrazine","","- C12 H10 N2 S2 -","- C12 H10 N2 S2 -","- C24 H20 N4 S4 -","2","1","HB5396","Hemamalini, Madhukar; Fun, Hoong-Kun","5,6-Di-2-thienyl-2,3-dihydropyrazine","Acta Crystallographica Section E","2010","66","5","o1062","","10.1107/S1600536810012705","","","0.71073","MoKα","","0.0384","0.0323","","","0.0882","0.1146","","","","","","1.204","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225894","10.7302","0.0012","6.4687","0.0006","15.793","0.0017","90","","91.924","0.001","90","","1095.6","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","{N-[(2-Oxido-1-naphthyl)methylidene]serinato- κ^3^O,N,O'}(1,10-phenanthroline- κ^2^N,N')copper(II)","","- C26 H19 Cu N3 O4 -","- C26 H19 Cu N3 O4 -","- C52 H38 Cu2 N6 O8 -","2","1","HY2297","Li, Jinghong; Guo, Zhenghua; Li, Lianzhi; Wang, Daqi","{N-[(2-Oxido-1-naphthyl)methylidene]serinato-κ^3^O,N,O'}(1,10-phenanthroline-κ^2^N,N')copper(II)","Acta Crystallographica Section E","2010","66","5","m516","","10.1107/S1600536810012675","","","0.71073","MoKα","","0.0506","0.0412","","","0.0903","0.0941","","","","","","0.973","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225906","4.6681","0.0009","18.509","0.003","6.2118","0.0011","90","","90.98","0.004","90","","536.63","0.17","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","(E)-4-Chloro-2-[(2-hydroxyphenyl)iminomethyl]phenol","(E)-4-Chloro-2-[(2-hydroxyphenylimino)methyl]phenol","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","1","IS2534","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun","(E)-4-Chloro-2-[(2-hydroxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","5","o1065","o1066","10.1107/S160053681001233X","","","0.71073","MoKα","","0.0378","0.0344","","","0.0957","0.1191","","","","","","1.2","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225915","6.8156","0.0004","14.5648","0.001","8.5589","0.0005","90","","103.421","0.002","90","","826.42","0.09","100","0.1","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N'-(2,4,5-Trimethoxybenzylidene)isonicotinohydrazide dihydrate","","- C16 H21 N3 O6 -","- C16 H21 N3 O6 -","- C32 H42 N6 O12 -","2","1","KJ2145","Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Yeap, Chin Sing; Fun, Hoong-Kun","(E)-N'-(2,4,5-Trimethoxybenzylidene)isonicotinohydrazide dihydrate","Acta Crystallographica Section E","2010","66","5","o1235","o1236","10.1107/S1600536810015254","","","0.71073","MoKα","","0.0415","0.034","","","0.1003","0.126","","","","","","1.171","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225923","5.7858","0.0012","5.6814","0.0011","19.313","0.004","90","","90.77","0.03","90","","634.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(2H-Benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one","","- C15 H12 F N3 O -","- C15 H12 F N3 O -","- C30 H24 F2 N6 O2 -","2","1","LH5027","Pan, Zhi-Fang","3-(2H-Benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one","Acta Crystallographica Section E","2010","66","5","o1124","","10.1107/S1600536810013917","","","0.71073","MoKα","","0.0917","0.081","","","0.2043","0.2103","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225977","5.1681","0.0013","15.427","0.004","13.426","0.003","90","","91.491","0.005","90","","1070.1","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(tert-Butoxycarbonylamino)-6-(1,3-dioxo-1H- 2,3-dihydrobenzo[de]isoquinolin-2-yl)hexanoic acid","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C46 H52 N4 O12 -","2","1","SJ2760","Fun, Hoong-Kun; Goh, Jia Hao; Qiu, Zhenjun; Zhang, Yan","2-(tert-Butoxycarbonylamino)-6-(1,3-dioxo-1H-2,3-dihydrobenzo[de]isoquinolin-2-yl)hexanoic acid","Acta Crystallographica Section E","2010","66","5","o1198","o1199","10.1107/S1600536810014935","","","0.71073","MoKα","","0.0371","0.0319","","","0.0794","0.083","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226003","8.9207","0.0004","18.123","0.0009","12.9886","0.0006","90","","98.43","0.001","90","","2077.18","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[4-(4-chlorophenyl)-4-hydroxypiperidinium] dipicrate dimethyl sulfoxide solvate","","- C36 H40 Cl2 N8 O17 S -","- C36 H40 Cl2 N8 O17 S -","- C72 H80 Cl4 N16 O34 S2 -","2","1","TK2662","Fun, Hoong-Kun; Hemamalini, Madhukar; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.","Bis[4-(4-chlorophenyl)-4-hydroxypiperidinium] dipicrate dimethyl sulfoxide solvate","Acta Crystallographica Section E","2010","66","5","o1212","o1213","10.1107/S1600536810015187","","","0.71073","MoKα","","0.0518","0.041","","","0.1148","0.1402","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226014","9.195","0.005","5.622","0.003","17.437","0.009","90","","91.6763","0.0015","90","","901","0.8","93.3","","93.3","","","","","","","","","6","P 1 21 1","P 2yb","4","","di-μ-sulfido-bis{[(2R)-2-acetoxy-2-aminoethane-1-thiolato- κ^2^N,S]oxidomolybdenum(V)}","","- C8 H16 Mo2 N2 O6 S4 -","- C8 H16 Mo2 N2 O6 S4 -","- C16 H32 Mo4 N4 O12 S8 -","2","1","WM2325","Akashi, Haruo; Shiraga, Yuji; Shibahara, Takashi","Redetermination of di-μ-sulfido-bis{[(2R)-2-acetoxy-2-aminoethane-1-thiolato-κ^2^N,S]oxidomolybdenum(V)}","Acta Crystallographica Section E","2010","66","5","m573","","10.1107/S1600536810014625","","","0.7107","MoKα","","","0.0236","","","","0.0674","","","","","","1.123","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226042","7.632","0.003","14.159","0.006","10.579","0.004","90","","109.24","0.005","90","","1079.3","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-Ethyl-8-methoxymethyl-4-oxo-4H-chromen-7-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane- 1-carboxylate","","- C23 H26 O7 -","- C23 H26 O7 -","- C46 H52 O14 -","2","1","BH2283","Qiu, Ya; Chen, Ying; Xia, Peng","2-Ethyl-8-methoxymethyl-4-oxo-4H-chromen-7-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section E","2010","66","6","o1459","","10.1107/S1600536810018921","","","0.71073","MoKα","","0.0537","0.046","","","0.1136","0.1196","","","","","","0.964","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226132","6.6774","0.0013","10.397","0.002","11.093","0.002","90","","93.77","0.03","90","","768.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[diethylenetriammonium [aquadi-μ~2~-sulfato-sulfatocerium(III)]]","","- C4 H18 Ce N3 O13 S3 -","- C4 H18 Ce N3 O13 S3 -","- C8 H36 Ce2 N6 O26 S6 -","2","1","HB5433","Zhang, Xiu-Mei; Li, Ya-Feng","Poly[diethylenetriammonium [aquadi-μ~2~-sulfato-sulfatocerium(III)]]","Acta Crystallographica Section E","2010","66","6","m649","m650","10.1107/S1600536810016600","","","0.71073","MoKα","","0.0154","0.0152","","","0.0406","0.0406","","","","","","1.152","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226214","4.7968","0.0003","8.5957","0.0005","9.8194","0.0007","90","","103.233","0.003","90","","394.12","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-fluoro-D-galactitol and (2S,3R,4R,5S)-6-fluorohexane-1,2,3,4,5-pentaol","1-Deoxy-1-fluoro-L-galactitol","","- C6 H13 F O5 -","- C6 H13 F O5 -","- C12 H26 F2 O10 -","2","1","LH5036","Jenkinson, Sarah F.; Best, Daniel; Izumori, Ken; Wilson, Francis X.; Weymouth-Wilson, Alexander C.; Fleet, George W. J.; Thompson, Amber L.","1-Deoxy-1-fluoro-L-galactitol","Acta Crystallographica Section E","2010","66","6","o1330","","10.1107/S1600536810016624","","","0.71073","MoKα","","0.053","0.0399","","0.0949","0.0881","0.0949","","","","","","0.9895","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226221","10.3415","0.0006","3.8938","0.0001","16.9152","0.001","90","","107.582","0.002","90","","649.32","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-(3-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","1","LH5044","Ahmad, Naveed; Siddiqui, Hamid Latif; Zia-ur-Rehman, Muhammad; Parvez, Masood","(E)-3-(3-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","6","o1346","o1347","10.1107/S1600536810017150","","","0.71073","MoKα","","0.026","0.026","","","0.072","0.073","","","","","","1.15","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226226","10.94","0.001","7.2105","0.0007","12.867","0.001","90","","92.718","0.002","90","","1013.84","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2-{1-[(Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol- 4-ylidene]ethylamino}-3-phenylpropanoate","","- C22 H23 N3 O3 -","- C22 H23 N3 O3 -","- C44 H46 N6 O6 -","2","1","LX2128","Zhu, Hualing; Shi, Jun; Wei, Zhen; Dai, Ronghua; Zhang, Xin","Methyl 2-{1-[(Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]ethylamino}-3-phenylpropanoate","Acta Crystallographica Section E","2010","66","6","o1352","","10.1107/S1600536810017241","","","0.71073","MoKα","","0.1018","0.0365","","","0.074","0.0958","","","","","","1.013","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226266","4.6387","0.0003","18.9379","0.0013","6.227","0.0004","90","","90.144","0.003","90","","547.02","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-Bromo-2-[(2-hydroxyphenyl)iminiomethyl]phenolate","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C26 H20 Br2 N2 O4 -","2","1","RZ2436","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun; Chantrapromma, Suchada","(E)-4-Bromo-2-[(2-hydroxyphenyl)iminiomethyl]phenolate","Acta Crystallographica Section E","2010","66","6","o1262","o1263","10.1107/S1600536810015230","","","0.71073","MoKα","","0.0181","0.0175","","","0.0413","0.0414","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226275","5.87","0.001","3.8345","0.0007","21.733","0.004","90","","91.059","0.007","90","","489.09","0.15","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Phenyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C26 H18 N2 O4 -","2","1","RZ2449","Khan, Salman Tariq; Yu, Peng; Chantrapromma, Suchada; Guo, Yong-En; Afza, Nighat","3-Phenyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one","Acta Crystallographica Section E","2010","66","6","o1469","","10.1107/S1600536810017940","","","0.71073","MoKα","","0.0351","0.0313","","","0.0836","0.0853","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226283","21.208","0.002","7.5302","0.0007","30.778","0.003","90","","91.453","0.002","90","","4913.7","0.8","100","0.1","100","","","","","","","","","3","P 1 21 1","P 2yb","4","3β-Chlorocholest-5-ene","3β-Chlorocholest-5-ene","","- C27 H45 Cl -","- C27 H45 Cl -","- C216 H360 Cl8 -","8","4","SJ2768","Khan, Mohd. Shaheen; Sulaiman, Othman; Mohamed, Issam Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun","A second monoclinic polymorph of 3β-chlorocholest-5-ene","Acta Crystallographica Section E","2010","66","6","o1249","o1250","10.1107/S1600536810015722","","","0.71073","MoKα","","0.1108","0.0574","","","0.1207","0.1444","","","","","","0.983","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226398","8.2666","0.0002","6.8055","0.0002","20.5415","0.0004","90","","99.808","0.002","90","","1138.74","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diaqua(isonicotinamide-κN^1^)(4-methoxybenzoato- κ^2^O,O')(4-methoxybenzoato-κO)cobalt(II)","","- C22 H24 Co N2 O9 -","- C22 H24 Co N2 O9 -","- C44 H48 Co2 N4 O18 -","2","1","CV2727","Hökelek, Tuncer; Süzen, Yasemin; Tercan, Barış; Tenlik, Erdinç; Necefoğlu, Hacali","Diaqua(isonicotinamide-κN^1^)(4-methoxybenzoato-κ^2^O,O')(4-methoxybenzoato-κO)cobalt(II)","Acta Crystallographica Section E","2010","66","7","m784","m785","10.1107/S160053681002194X","","","0.71073","MoKα","","0.0239","0.0218","","","0.0489","0.0495","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226399","12.73","0.0008","4.0061","0.0003","13.0035","0.0006","90","","100.671","0.005","90","","651.68","0.07","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2E)-1-(2-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C32 H26 Br2 O4 -","2","1","CV2728","Jasinski, Jerry P.; Butcher, Ray J.; Veena, K.; Narayana, B.; Yathirajan, H. S.","(2E)-1-(2-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","7","o1661","","10.1107/S160053681002218X","","","1.54184","CuKα","","0.0339","0.0336","","","0.0901","0.0905","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226433","5.775","0.004","9.026","0.005","13.35","0.008","90","","96.344","0.009","90","","691.6","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methylanilinium p-toluenesulfonate","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","FJ2307","Xu, Rui-jun","4-Methylanilinium p-toluenesulfonate","Acta Crystallographica Section E","2010","66","7","o1794","","10.1107/S1600536810021537","","","0.71073","MoKα","","0.0462","0.0411","","","0.0891","0.0926","","","","","","0.993","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226438","6.307","0.0001","29.5285","0.0006","7.388","0.0002","90","","95.056","0.001","90","","1370.56","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-hydroxy-4'-dimethylaminochalcone","(3E)-3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","2","FJ2315","Hasan, Aurangzeb; Akhtar, Nadeem; Lajis, Nordin Hj; Rusli, Aqilah Fasihah Binti; Lo, Kong Mun","(3E)-3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","7","o1808","","10.1107/S1600536810024050","","","0.71073","MoKα","","0.0333","0.0315","","","0.077","0.0782","","","","","","1.127","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226439","7.5026","0.0002","11.3985","0.0003","12.1498","0.0005","90","","94.978","0.0003","90","","1035.11","0.06","296.1","","296.1","","","","","","","","","4","P 1 21 1","P 2yb","4","Neoirietriol","(1R,4S,4aS,7R,8aR)-4-bromo-7- [(1S,3R)-3-bromo-1,2,2-trimethylcyclopentyl]-1,4a- dimethyldecahydronaphthalene-1,7,8a-triol","","- C20 H34 Br2 O3 -","- C20 H34 Br2 O3 -","- C40 H68 Br4 O6 -","2","1","FJ2316","Takahashi, Hiroki; Takahashi, Yoshinori; Suzuki, Minoru; Abe, Tsuyoshi; Masuda, Michio","Neoirietriol","Acta Crystallographica Section E","2010","66","7","o1795","","10.1107/S1600536810022336","","","0.71069","MoKα","","","0.0619","","","","0.1506","","","","","","1.141","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226454","12.628","0.001","8.084","0.001","14.832","0.002","90","","101.38","0.005","90","","1484.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phenyl 2,3,4-tri-O-benzyl-1-thio-α-D-mannopyranoside monohydrate","","- C33 H36 O6 S -","- C33 H36 O6 S -","- C66 H72 O12 S2 -","2","1","HB5424","Durka, Maxime; Norberg, Bernadette; Roué, Yvain; Vincent, Stéphane P.; Wouters, Johan","Phenyl 2,3,4-tri-O-benzyl-1-thio-α-D-mannopyranoside monohydrate","Acta Crystallographica Section E","2010","66","7","o1525","","10.1107/S1600536810019604","","","0.71073","MoKα","","0.0386","0.0295","","","0.0603","0.0623","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226470","6.1514","0.0009","18.098","0.003","13.356","0.002","90","","95.489","0.002","90","","1480.1","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N'-[4-(Dimethylamino)benzylidene]-4-hydroxybenzohydrazide hemihydrate","","- C16 H18 N3 O2.5 -","- C16 H18 N3 O2.5 -","- C64 H72 N12 O10 -","4","2","HB5475","Liu, Huanyu","(E)-N'-[4-(Dimethylamino)benzylidene]-4-hydroxybenzohydrazide hemihydrate","Acta Crystallographica Section E","2010","66","7","o1582","","10.1107/S1600536810020763","","","0.71073","MoKα","","0.051","0.0372","","","0.0868","0.0942","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226478","7.2449","0.0002","7.0049","0.0001","13.2428","0.0003","90","","104.704","0.001","90","","650.06","0.03","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","Ammonium [(1S)-(endo,anti)]-(-)-3-bromocamphor-8-sulfonate","Ammonium [(1S)-(endo,anti)]-(-)-(3-bromo-1,7- dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl)methanesulfonate","","- C10 H18 Br N O4 S -","- C10 H18 Br N O4 S -","- C20 H36 Br2 N2 O8 S2 -","2","1","HB5484","Abbasi, Muhammad Athar; Aziz-ur-Rehman; Akkurt, Mehmet; Jahangir, Muhammad; Ng, Seik Weng; Khan, Islam Ullah","Ammonium [(1S)-(endo,anti)]-({-})-3-bromocamphor-8-sulfonate","Acta Crystallographica Section E","2010","66","7","o1707","o1708","10.1107/S1600536810022804","","","0.71073","MoKα","","0.0311","0.0274","","","0.0634","0.0648","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226488","5.2372","0.0003","6.5841","0.0004","16.6029","0.0012","90","","91.176","0.002","90","","572.38","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexylbenzamide","","- C13 H17 N O -","- C13 H17 N O -","- C26 H34 N2 O2 -","2","1","HB5496","Khan, Islam Ullah; Javaid, Rashid; Sharif, Shahzad; Tiekink, Edward R. T.","N-Cyclohexylbenzamide","Acta Crystallographica Section E","2010","66","7","o1687","","10.1107/S1600536810022609","","","0.71073","MoKα","","0.069","0.045","","","0.124","0.163","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226490","9.8993","0.0019","4.774","0.0006","16.066","0.003","90","","104.807","0.008","90","","734.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Acetyl-3-[2-(2,3,5,6-tetrafluorophenyl)hydrazin-1-ylidene]indolin-2-one","","- C16 H9 F4 N3 O2 -","- C16 H9 F4 N3 O2 -","- C32 H18 F8 N6 O4 -","2","1","HB5498","Pervez, Humayun; Yaqub, Muhammad; Ahmad, Maqbool; Tahir, M. Nawaz; Akhtar, Robina","1-Acetyl-3-[2-(2,3,5,6-tetrafluorophenyl)hydrazin-1-ylidene]indolin-2-one","Acta Crystallographica Section E","2010","66","7","o1686","","10.1107/S1600536810022580","","","0.71073","MoKα","","0.1292","0.0455","","","0.0624","0.0804","","","","","","0.963","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226494","7.993","0.0006","6.8608","0.0005","11.2148","0.0009","90","","93.526","0.002","90","","613.84","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Amino-4-methylpyridinium 3-chlorobenzoate","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C26 H26 Cl2 N4 O4 -","2","1","HB5503","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-4-methylpyridinium 3-chlorobenzoate","Acta Crystallographica Section E","2010","66","7","o1843","o1844","10.1107/S160053681002444X","","","0.71073","MoKα","","0.0348","0.0292","","","0.0881","0.117","","","","","","1.221","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226531","10.8251","0.0005","5.0791","0.0003","12.6912","0.0005","90","","90.931","0.003","90","","697.69","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","diphenylmethanesulfonamide","4,4'-methylenebis(benzenesulfonamide)","","- C13 H14 N2 O4 S2 -","- C13 H14 N2 O4 S2 -","- C26 H28 N4 O8 S4 -","2","1","IM2209","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Polymorphic form II of 4,4'-methylenebis(benzenesulfonamide)","Acta Crystallographica Section E","2010","66","7","o1619","","10.1107/S1600536810021409","","","0.71073","MoKα","","0.0475","0.0375","","","0.0826","0.087","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226542","6.3468","0.0013","11.517","0.003","15.678","0.003","90","","91.47","0.005","90","","1145.6","0.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","Cholest-5-en-7-one","","- C27 H44 O -","- C27 H44 O -","- C54 H88 O2 -","2","1","IS2558","Khan, Mohd. Shaheen; Sulaiman, Othman; Hashim, Rokiah; Quah, Ching Kheng; Fun, Hoong-Kun","Cholest-5-en-7-one","Acta Crystallographica Section E","2010","66","7","o1668","","10.1107/S1600536810021598","","","0.71073","MoKα","","0.072","0.0507","","","0.1162","0.1316","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226550","6.959","0.004","5.525","0.003","12.384","0.006","90","","97.077","0.007","90","","472.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,3aS,6R,6aR)- 3-(1-Nitroethyl)perhydrofuro[3,2-b]furan-3,6-diol","","- C8 H13 N O6 -","- C8 H13 N O6 -","- C16 H26 N2 O12 -","2","1","JH2141","Zhang, Jing-Yu; Yang, Jing","(3R,3aS,6R,6aR)-3-(1-Nitroethyl)perhydrofuro[3,2-b]furan-3,6-diol","Acta Crystallographica Section E","2010","66","7","o1704","","10.1107/S1600536810022774","","","0.71073","MoKα","","0.0613","0.0493","","","0.1212","0.1293","","","","","","0.982","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226567","10.4262","0.0003","9.7171","0.0002","10.7402","0.0002","90","","101.504","0.002","90","","1066.26","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S)-4-Benzyl-N-{[(4S)-4-benzyl-2-oxo-1,3-oxazolidin- 3-yl]sulfonyl}-2-oxo-1,3-oxazolidine-3-carboxamide","","- C21 H21 N3 O7 S -","- C21 H21 N3 O7 S -","- C42 H42 N6 O14 S2 -","2","1","KP2261","Berredjem, Malika; Allaoui, Assia; Direm, Amani; Aouf, Noureddine; Benali-Cherif, Nourredine","(4S)-4-Benzyl-N-{[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]sulfonyl}-2-oxo-1,3-oxazolidine-3-carboxamide","Acta Crystallographica Section E","2010","66","7","o1611","o1612","10.1107/S1600536810020866","","","0.71073","MoKα","","0.0841","0.0536","","","0.133","0.152","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226576","7.2491","0.0001","40.5988","0.0007","12.1145","0.0002","90","","106.155","0.0007","90","","3424.57","0.1","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","3',4'-Dichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","","- C14 H9 Cl5 O4 S -","- C14 H9 Cl5 O4 S -","- C112 H72 Cl40 O32 S8 -","8","4","LH5052","Li, Xueshu; Parkin, Sean; Duffel, Michael W.; Robertson, Larry W.; Lehmler, Hans-Joachim","3',4'-Dichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","Acta Crystallographica Section E","2010","66","7","o1615","o1616","10.1107/S1600536810020362","","","0.71073","MoKα","","0.1454","0.0618","","","0.1234","0.156","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226634","9.6699","0.0003","7.7324","0.0002","12.1847","0.0004","90","","111.649","0.002","90","","846.8","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(1S,2S)-2-(1-{[2-(2- Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato- κ^4^O,N,N',O']copper(II)","","- C21 H22 Cu N2 O2 -","- C21 H22 Cu N2 O2 -","- C42 H44 Cu2 N4 O4 -","2","1","PV2290","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","[(1S,2S)-2-(1-{[2-(2-Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato-κ^4^O,N,N',O']copper(II)","Acta Crystallographica Section E","2010","66","7","m813","","10.1107/S1600536810022889","","","0.71073","MoKα","","0.074","0.0478","","","0.0817","0.0909","","","","","","0.968","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226639","11.3836","0.0017","9.7368","0.0015","19.008","0.003","90","","105.564","0.003","90","","2029.6","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-[(3S)-3-Ethyl-1-methylazepan-3-yl]phenyl N-(4-fluorophenyl)carbamate","","- C22 H27 F N2 O2 -","- C22 H27 F N2 O2 -","- C88 H108 F4 N8 O8 -","4","2","RK2204","Sun, Jian; Xie, Qiong; Qiu, Zhui-Bai","3-[(3S)-3-Ethyl-1-methylazepan-3-yl]phenyl N-(4-fluorophenyl)carbamate","Acta Crystallographica Section E","2010","66","7","o1822","","10.1107/S1600536810024396","","","0.71073","MoKα","","0.1135","0.0578","","","0.1141","0.134","","","","","","0.833","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226686","6.464","0.003","15.515","0.008","17.847","0.009","90","","99.88","0.007","90","","1763.3","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-tert-Butyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","2","SU2175","Liu, Lin; Xia, Guangxin; Liu, Xuejun; Xie, Jieshu; Shen, Jingkang","(S)-tert-Butyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate","Acta Crystallographica Section E","2010","66","7","o1576","","10.1107/S1600536810018714","","","0.71073","MoKα","","0.087","0.0728","","","0.1897","0.198","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226733","10.7263","0.0006","5.5562","0.0003","13.8967","0.0007","90","","97.841","0.002","90","","820.46","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","11-Butyl-3-methoxy-11H-benzo[a]carbazole","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","XU2773","Ergün, Yavuz; Gündoğdu, Cevher; Tercan, Barış; Ermiş, Emel; Hökelek, Tuncer","11-Butyl-3-methoxy-11H-benzo[a]carbazole","Acta Crystallographica Section E","2010","66","7","o1634","o1635","10.1107/S1600536810021963","","","0.71073","MoKα","","0.0419","0.0354","","","0.0865","0.0905","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226756","9.338","0.0001","12.4142","0.0001","10.0317","0.0005","90","","102.814","0.0008","90","","1133.95","0.06","105","","105","","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-2-Benzyl-4-methylpentyl (R)-2-methoxy-2-(1-naphthyl)propionate","","- C27 H32 O3 -","- C27 H32 O3 -","- C54 H64 O6 -","2","1","ZS2041","Inoue, Yoshinori; Matsumoto, Takatoshi; Watanabe, Masataka; Katagiri, Hiroshi; Kumagai, Tsutomu","(R)-2-Benzyl-4-methylpentyl (R)-2-methoxy-2-(1-naphthyl)propionate","Acta Crystallographica Section E","2010","66","7","o1665","","10.1107/S160053681002101X","","","1.54187","CuKα","","0.0259","0.0253","","","0.0672","0.0677","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226827","10.4968","0.0003","7.2025","0.0002","12.0783","0.0003","90","","112.474","0.001","90","","843.81","0.04","174","2","174","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Ethylsulfanyl-2,5-diphenyl-1-benzofuran","","- C22 H18 O S -","- C22 H18 O S -","- C44 H36 O2 S2 -","2","1","CS2130","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-Ethylsulfanyl-2,5-diphenyl-1-benzofuran","Acta Crystallographica Section E","2010","66","8","o2081","","10.1107/S1600536810028308","","","0.71073","MoKα","","0.033","0.0311","","","0.0791","0.0801","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226837","7.6066","0.0015","8.2407","0.0016","33.083","0.007","90","","93.17","0.03","90","","2070.6","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Triethylammonium O-3β-cholest-5-en-3-yl (4-methoxyphenyl)dithiophosphonate","","- C40 H68 N O2 P S2 -","- C40 H68 N O2 P S2 -","- C80 H136 N2 O4 P2 S4 -","2","1","CV2748","Van Der Walt, Hendriette; Muller, Alfred; van Zyl, Werner E.","Triethylammonium O-3β-cholest-5-en-3-yl (4-methoxyphenyl)dithiophosphonate","Acta Crystallographica Section E","2010","66","8","o2146","o2147","10.1107/S1600536810029703","","","0.71073","MoKα","","","0.066","","","","0.1588","","","","","","0.934","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226838","6.1016","0.0012","10.392","0.002","14.488","0.003","90","","101.312","0.003","90","","900.8","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5- dihydro-1H-imidazole-1-oxyl 3-oxide","","- C16 H28 N3 O4 -","- C16 H28 N3 O4 -","- C32 H56 N6 O8 -","2","1","DN2566","Jiang, Ru; Wang, Hai-Bo; Gao, Peng; Jing, Lin-Lin; Sun, Xiao-Li","2-[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl 3-oxide","Acta Crystallographica Section E","2010","66","8","o1954","","10.1107/S1600536810020672","","","0.71073","MoKα","","0.0508","0.0424","","","0.1003","0.104","","","","","","0.973","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226890","7.029","0.003","14.09","0.003","7.037","0.002","90","","111.82","0.003","90","","647","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dibromido{2-[1-(cyclopropylimino)ethyl]pyridine}zinc(II)","","- C10 H12 Br2 N2 Zn -","- C10 H12 Br2 N2 Zn -","- C20 H24 Br4 N4 Zn2 -","2","1","HB5526","Yue, Si-Yu; Lu, Jiu-Fu","Dibromido{2-[1-(cyclopropylimino)ethyl]pyridine}zinc(II)","Acta Crystallographica Section E","2010","66","8","m880","","10.1107/S1600536810025201","","","0.71073","MoKα","","0.0894","0.0625","","","0.1493","0.1652","","","","","","0.947","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226911","11.6236","0.0007","8.0871","0.0005","12.4193","0.0007","90","","98.194","0.003","90","","1155.51","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Isovouacapenol C","(4aR,5R,6R,6aS,7R,11aS,11bR)- 4a,6-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b- dodecahydrophenanthro[3,2-b]furan-5-yl benzoate","","- C27 H34 O5 -","- C27 H34 O5 -","- C54 H68 O10 -","2","1","HB5551","Fun, Hoong-Kun; Yodsaoue, Orapun; Karalai, Chatchanok; Chantrapromma, Suchada","Absolute configuration of isovouacapenol C","Acta Crystallographica Section E","2010","66","8","o2059","o2060","10.1107/S1600536810028023","","","1.54178","CuKα","","0.0316","0.0306","","","0.0761","0.0769","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226942","5.3795","0.0009","8.0585","0.0014","18.531","0.003","90","","91.168","0.002","90","","803.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2'-(4-{[(E)-4-Methoxybenzylidene]amino}phenylimino)diethanol","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","IM2204","Liu, Xiaoju; Yang, Bingqin; Wang, Mingjuan; Borzov, Maxim V.","2,2'-(4-{[(E)-4-Methoxybenzylidene]amino}phenylimino)diethanol","Acta Crystallographica Section E","2010","66","8","o2189","","10.1107/S1600536810028035","","","0.71073","MoKα","","0.0507","0.038","","","0.0976","0.1077","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226964","6.5976","0.0005","14.7609","0.0011","15.2847","0.0012","90","","99.952","0.002","90","","1466.13","0.19","195","2","195","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-{1,8-Bis[(S)-1-phenylethyl]- 1,3,6,8,10,13-hexaazacyclotetradecane}bis(thiocyanato-κN)copper(II)","","- C26 H38 Cu N8 S2 -","- C26 H38 Cu N8 S2 -","- C52 H76 Cu2 N16 S4 -","2","1","JH2175","Shin, Jong Won; Rowthu, Sankara Rao; Ryoo, Jae Jeong; Min, Kil Sik","trans-{1,8-Bis[(S)-1-phenylethyl]-1,3,6,8,10,13-hexaazacyclotetradecane}bis(thiocyanato-κN)copper(II)","Acta Crystallographica Section E","2010","66","8","m919","m920","10.1107/S1600536810026632","","","0.71073","MoKα","","0.0882","0.0482","","","0.0788","0.1145","","","","","","1.107","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226973","9.995","0.0014","7.512","0.001","34.82","0.005","90","","91.029","0.002","90","","2613.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cycloart-24-ene-3β,26-diol","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","2","JH2187","Awang, Khalijah; Loong, Xe Min; Mohamad, Khalit; Chong, Soon Lim; Ng, Seik Weng","Cycloart-24-ene-3{β},26-diol from the leaves of Aglaia exima","Acta Crystallographica Section E","2010","66","8","o2142","","10.1107/S1600536810029168","","","0.71073","MoKα","","0.0973","0.0552","","","0.1213","0.1427","","","","","","0.956","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226977","9.2836","0.0002","9.1103","0.0002","10.2999","0.0002","90","","90.395","0.001","90","","871.11","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Bromo-2-(10β-dihydroartemisinoxy)ethane","","- C17 H27 Br O5 -","- C17 H27 Br O5 -","- C34 H54 Br2 O10 -","2","1","JJ2039","Lombard, Marli C.; Fernandes, Manuel A.; Breytenbach, Jaco C.; N'Da, David D.","1-Bromo-2-(10β-dihydroartemisinoxy)ethane","Acta Crystallographica Section E","2010","66","8","o2182","o2183","10.1107/S1600536810029090","","","0.71073","MoKα","","0.0443","0.0344","","","0.0758","0.0782","","","","","","0.946","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226982","5.9596","0.0006","11.3897","0.0011","9.8667","0.0009","90","","93.519","0.001","90","","668.47","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,5-Dichloro-4,8-dinitroanthraquinone","","- C14 H4 Cl2 N2 O6 -","- C14 H4 Cl2 N2 O6 -","- C28 H8 Cl4 N4 O12 -","2","1","KP2270","Armaghan, Mahsa; Amini, Mostafa M.; Ng, Seik Weng","1,5-Dichloro-4,8-dinitroanthraquinone","Acta Crystallographica Section E","2010","66","8","o2130","","10.1107/S1600536810029156","","","0.71073","MoKα","","0.0409","0.0366","","","0.0907","0.0945","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226995","10.4315","0.0012","15.3345","0.0018","12.632","0.0016","90","","113.28","0.02","90","","1856.1","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","Clopidogrel hydrogen sulfate","(+)-(S)-5-[(2-chlorophenyl)(methoxycarbonyl)methyl]-4,5,6,7- tetrahydrothieno[3,2-c]pyridin-5-ium hydrogen sulfate]","","- C16 H18 Cl N O6 S2 -","- C16 H18 Cl N O6 S2 -","- C64 H72 Cl4 N4 O24 S8 -","4","2","LH5082","Chernyshev, Vladimir V.; Pirogov, Sergey V.; Shishkina, Irina N.; Velikodny, Yurii A.","Monoclinic form I of clopidogrel hydrogen sulfate from powder diffraction data","Acta Crystallographica Section E","2010","66","8","o2101","o2102","10.1107/S1600536810028783","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.7268","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2227055","6.7789","0.0003","12.3122","0.0006","15.4524","0.0007","90","","99.644","0.002","90","","1271.48","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Oxo-18α-olean-28,13β-olide","","- C30 H46 O3 -","- C30 H46 O3 -","- C60 H92 O6 -","2","1","RK2222","Santos, R. C.; Pinto, R. M. A.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","3-Oxo-18α-olean-28,13β-olide","Acta Crystallographica Section E","2010","66","8","o2139","o2140","10.1107/S160053681002903X","","","0.71073","MoKα","","0.0782","0.0423","","","0.0843","0.0995","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227111","7.2872","0.0002","8.457","0.0003","8.0268","0.0002","90","","91.994","0.001","90","","494.37","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","KPr(PO3)4","Potassium praseodymium polyphosphate","","- K O12 P4 Pr -","- K O12 P4 Pr -","- K2 O24 P8 Pr2 -","2","1","WM2370","Oudahmane, Abdelghani; Daoud, Mohamed; Tanouti, Boumediene; Avignant, Daniel; Zambon, Daniel","KPr(PO~3~)~4~","Acta Crystallographica Section E","2010","66","8","i59","i60","10.1107/S1600536810026942","","","0.71073","MoKα","","0.0181","0.0177","","","0.043","0.0431","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227118","11.915","0.003","9.854","0.002","14.246","0.003","90","","102.66","0.03","90","","1632","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,11α-Dihydroxy-17a-oxa-D-homoandrost-5-en-17-one","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","2","WN2398","Świzdor, Alina; Białońska, Agata; Kołek, Teresa; Panek, Anna","3β,11α-Dihydroxy-17a-oxa-D-homoandrost-5-en-17-one","Acta Crystallographica Section E","2010","66","8","o2003","","10.1107/S1600536810026516","","","0.71073","MoKα","","0.132","0.0918","","","0.1514","0.1673","","","","","","1.129","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227127","7.383","0.005","13.2","0.009","9.843","0.007","90","","95.687","0.01","90","","954.5","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","10,13-Dimethyl-16-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro- 1H-cyclopenta[a]phenanthren-17-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","XU2791","Shi, Rui; Zhang, Chun-Sheng; Huang, Rong; Wei, Kun","10,13-Dimethyl-16-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate","Acta Crystallographica Section E","2010","66","8","o2092","","10.1107/S1600536810028412","","","0.71073","MoKα","","0.1881","0.0534","","","0.1034","0.1361","","","","","","0.86","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227170","8.9005","0.0008","14.9221","0.0014","9.2426","0.0009","90","","91.432","0.002","90","","1227.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9S,13R,14S)-7,8-Didehydro-4-(4-iodobenzyloxy)-3,7- dimethoxy-17-methylmorphinan-6-one monohydrate","","- C26 H30 I N O5 -","- C26 H30 I N O5 -","- C52 H60 I2 N2 O10 -","2","1","BH2309","Zheng, Xing-Liang; Jiang, Ning-Fei","(9S,13R,14S)-7,8-Didehydro-4-(4-iodobenzyloxy)-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate","Acta Crystallographica Section E","2010","66","11","o2817","","10.1107/S1600536810040286","","","0.71073","MoKα","","0.0375","0.036","","","0.0862","0.0872","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227188","3.948","0.0008","9.023","0.0018","12.018","0.002","90","","94.1","0.03","90","","427.02","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-amino-5-chlorobenzoate","","- C8 H8 Cl N O2 -","- C8 H8 Cl N O2 -","- C16 H16 Cl2 N2 O4 -","2","1","BQ2241","Shi, Ya-Bin; Xia, Song; He, Fei-Fei; Wang, Hai-Bo","Methyl 2-amino-5-chlorobenzoate","Acta Crystallographica Section E","2010","66","11","o3025","","10.1107/S1600536810042510","","","0.71073","MoKα","","0.0601","0.0505","","","0.1359","0.1596","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227206","11.2232","0.0009","7.2386","0.0006","17.9766","0.0014","90","","107.147","0.001","90","","1395.51","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Bis(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C64 H64 N16 O8 -","4","2","BT5318","Yang, Hui; Huang, Zhan-Dong; Yang, Guang; Ng, Seik Weng","3,5-Bis(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2010","66","9","o2236","","10.1107/S1600536810030898","","","0.71073","MoKα","","0.073","0.0543","","","0.1332","0.1473","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227246","16.3616","0.0014","7.2587","0.0005","25.786","0.002","90","","107.5","0.009","90","","2920.7","0.4","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","oleanolic acid ethanolate","3β-hydroxyolean-12-en-28-oic acid ethanol monosolvate","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","2","BT5364","Froelich, Anna; Gzella, Andrzej K.","Oleanolic acid ethanol monosolvate","Acta Crystallographica Section E","2010","66","11","o2790","","10.1107/S1600536810039929","","","1.54184","CuKα","","0.0389","0.0374","","","0.1103","0.1142","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227254","11.5648","0.0009","8.4355","0.0006","14.5082","0.0011","90","","112.985","0.001","90","","1302.98","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","6-O-acetylswietenolide","(αR,4R,4aR,6aS,7R,8S,10R, 11S)-Methyl α-acetoxy-4-(3-furanyl)-10-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo- 1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-7,11-methano-2H- cycloocta[f][2]benzopyran-8-acetate","","- C29 H36 O9 -","- C29 H36 O9 -","- C58 H72 O18 -","2","1","BT5372","Goh, Bey Hing; Abdul Kadir, Habsah; Abdul Malek, Sri Nurestri; Ng, Seik Weng","(αR,4R,4aR,6aS,7R,8S,10R,11S)-Methyl α-acetoxy-4-(3-furanyl)-10-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-7,11-methano-2H-cycloocta[f][2]benzopyran-8-acetate (6-O-acetylswietenolide) from the seeds of Swietenia macrophylla","Acta Crystallographica Section E","2010","66","11","o2802","o2803","10.1107/S1600536810039942","","","0.71073","MoKα","","0.0384","0.0338","","","0.0918","0.1003","","","","","","0.998","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227303","5.086","0.0004","9.672","0.0006","11.834","0.0008","90","","95.311","0.008","90","","579.64","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Asparagine‒L-tartaric acid (1/1)","2-Ammonio-3-carbamoylpropanoate‒2,3-dihydroxybutanedioic acid (1/1)","","- C8 H14 N2 O9 -","- C8 H14 N2 O9 -","- C16 H28 N4 O18 -","2","1","CI5134","Natarajan, S.; Hema, V.; Sundar, J. Kalyana; Suresh, J.; Lakshman, P. L. Nilantha","L-Asparagine‒L-tartaric acid (1/1)","Acta Crystallographica Section E","2010","66","9","o2239","","10.1107/S1600536810030771","","","0.71073","MoKα","","0.0587","0.0526","","","0.2201","0.2255","","","","","","1.378","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227319","9.2295","0.0003","9.5431","0.0003","9.3787","0.0003","90","","118.662","0.002","90","","724.84","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","9β-Hydroxy-1β,10α-epoxyparthenolide","5-hydroxy-1a,4a-dimethyl-7- methyleneperhydrodioxireno[5,6:9,10]cyclodeca[1,2-b]furan-8-one","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","CI5157","Moumou, Mohamed; Akssira, Mohamed; El Ammari, Lahcen; Benharref, Ahmed; Berraho, Moha","9β-Hydroxy-1β,10α-epoxyparthenolide","Acta Crystallographica Section E","2010","66","9","o2395","","10.1107/S1600536810033404","","","0.71073","MoKα","","0.0417","0.0325","","","0.09","0.0903","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227385","10.1069","0.0003","4.7469","0.0002","12.9922","0.0004","90","","95.668","0.002","90","","620.27","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[(E)-2,4-Dichlorobenzylidene]-4-methylaniline","","- C14 H11 Cl2 N -","- C14 H11 Cl2 N -","- C28 H22 Cl4 N2 -","2","1","DN2602","Tahir, M. Nawaz; Shad, Hazoor Ahmad; Tariq, Muhammad Ilyas; Tariq, Riaz H.","N-[(E)-2,4-Dichlorobenzylidene]-4-methylaniline","Acta Crystallographica Section E","2010","66","10","o2583","","10.1107/S1600536810036640","","","0.71073","MoKα","","0.0327","0.0298","","","0.0764","0.0786","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227450","5.7944","0.0004","6.9359","0.0003","15.0491","0.001","90","","97.895","0.002","90","","599.08","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ranunculin","(5S)-5-[(β-D-glucopyranosyloxy)methyl]furan-2(5H)-one","","- C11 H16 O8 -","- C11 H16 O8 -","- C22 H32 O16 -","2","1","FL2315","Benn, Michael; Yelland, Lois Jean; Parvez, Masood","Ranunculin","Acta Crystallographica Section E","2010","66","10","o2503","","10.1107/S1600536810034847","","","0.71073","MoKα","","0.026","0.026","","","0.068","0.069","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227511","6.0643","0.0006","5.3676","0.0005","18.2443","0.0017","90","","91.78","0.001","90","","593.58","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(3-Nitrophenoxy)quinoxaline","","- C14 H9 N3 O3 -","- C14 H9 N3 O3 -","- C28 H18 N6 O6 -","2","1","HB5615","Hassan, Noor Doha; Abdullah, Zanariah; Tajuddin, Hairul Anuar; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(3-Nitrophenoxy)quinoxaline","Acta Crystallographica Section E","2010","66","9","o2429","","10.1107/S1600536810034100","","","0.71073","MoKα","","0.037","0.034","","","0.091","0.093","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227519","7.1462","0.0001","8.9874","0.0002","11.1418","0.0002","90","","108.09","0.001","90","","680.22","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-3-Carbamoyl-2-(4-methoxybenzenesulfonamido)propanoic acid","","- C11 H14 N2 O6 S -","- C11 H14 N2 O6 S -","- C22 H28 N4 O12 S2 -","2","1","HB5624","Mubashar-ur-Rehman, Hafiz; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Holman, K. Travis","(2S)-3-Carbamoyl-2-(4-methoxybenzenesulfonamido)propanoic acid","Acta Crystallographica Section E","2010","66","10","o2596","","10.1107/S160053681003607X","","","0.71073","MoKα","","0.0253","0.0243","","","0.0624","0.0631","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227532","6.46","0.0013","10.641","0.002","12.411","0.003","90","","94.52","0.03","90","","850.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(tert-Butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid","","- C15 H18 Cl N O4 S -","- C15 H18 Cl N O4 S -","- C30 H36 Cl2 N2 O8 S2 -","2","1","HB5637","Ding, Shu-Min","3-(tert-Butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid","Acta Crystallographica Section E","2010","66","10","o2633","","10.1107/S1600536810037396","","","0.71073","MoKα","","0.0761","0.0619","","","0.1453","0.1592","","","","","","1.084","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227562","9.3495","0.0007","12.535","0.001","11.7727","0.0009","90","","96.532","0.001","90","","1370.76","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","curcumenol","9-isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.0^1,5^]undec-6-en-8-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","2","HB5676","Ahmed Hamdi, Omer Abdalla; Awang, Khalijah; Hadi, A. Hamid A.; Syamsir, Devi Rosmy; Ng, Seik Weng","Curcumenol from Curcuma zedoaria: a second monoclinic modification","Acta Crystallographica Section E","2010","66","11","o2844","","10.1107/S1600536810040559","","","0.71073","MoKα","","0.047","0.037","","","0.0841","0.09","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227649","7.8095","0.0002","20.2827","0.0006","11.5304","0.0003","90","","90.075","0.002","90","","1826.39","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Chlorophenyl)-4-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]- 5-methyl-1H-pyrazol-3(2H)-one","","- C20 H16 Cl2 N4 O -","- C20 H16 Cl2 N4 O -","- C80 H64 Cl8 N16 O4 -","4","2","IM2224","Rabnawaz, Muhammad; Raza Shah, Muhammad; Ng, Seik Weng","2-(4-Chlorophenyl)-4-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-5-methyl-1H-pyrazol-3(2H)-one","Acta Crystallographica Section E","2010","66","10","o2569","","10.1107/S1600536810035713","","","0.71073","MoKα","","0.0956","0.0811","","","0.1938","0.2067","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227655","5.9316","0.0002","11.772","0.0003","13.3535","0.0004","90","","99.603","0.003","90","","919.37","0.05","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2α,8α-Diacetoxy-cis-himachalane","","- C19 H32 O4 -","- C19 H32 O4 -","- C38 H64 O8 -","2","1","IM2232","Benharref, Ahmed; Daran, Jean Claude; Berraho, Moha","2α,8α-Diacetoxy-cis-himachalane","Acta Crystallographica Section E","2010","66","10","o2619","","10.1107/S160053681003727X","","","0.71073","MoKα","","0.0311","0.0296","","","0.0785","0.0793","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227658","6.668","0.0007","18.776","0.0016","12.7696","0.0012","90","","90.43","0.003","90","","1598.7","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","6α,7α-dichlorocarbene-himachal-3-en-2-one","(1S,2R,8R)-2,2-Dichloro-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","","- C16 H22 Cl2 O -","- C16 H22 Cl2 O -","- C64 H88 Cl8 O4 -","4","2","IM2235","Benharref, Ahmed; El Ammari, Lahcen; Berraho, Moha","(1S,2R,8R)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","Acta Crystallographica Section E","2010","66","11","o2911","","10.1107/S1600536810040213","","","0.71073","MoKα","","0.0586","0.0387","","","0.0848","0.0939","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227735","5.9713","0.0011","7.478","0.0012","19.992","0.002","90","","92.923","0.001","90","","891.5","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Hydroxy-3-octyloxy-N,N,N-trimethylpropan-1-aminium bromide","","- C14 H32 Br N O2 -","- C14 H32 Br N O2 -","- C28 H64 Br2 N2 O4 -","2","1","JJ2054","Liu, Jiuqiang; Wei, Zengbin; Wei, Xilian; Zhang, Chong","2-Hydroxy-3-octyloxy-N,N,N-trimethylpropan-1-aminium bromide","Acta Crystallographica Section E","2010","66","11","o2865","","10.1107/S1600536810040705","","","0.71073","MoKα","","0.1837","0.081","","","0.167","0.1989","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227740","9.159","0.0004","10.0764","0.0005","10.7644","0.0006","90","","95.718","0.001","90","","988.5","0.09","296","1","296","1","","","","","","","","6","P 1 21 1","P 2yb","4","","[(3R,4S)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate","","- C20 H24 F N O3 S -","- C20 H24 F N O3 S -","- C40 H48 F2 N2 O6 S2 -","2","1","KJ2148","Qi, Jianfeng; Chen, Hanjing; Zhang, Chen","[(3R,4S)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2010","66","10","o2660","","10.1107/S1600536810038249","","","0.71073","MoKα","","0.0559","0.031","","","0.0714","0.0836","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227759","7.1604","0.0002","8.256","0.0002","11.0342","0.0003","90","","103.45","0.001","90","","634.41","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-Methoxy-5-methylphenyl)-2H-benzotriazole","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C28 H26 N6 O2 -","2","1","LH5100","Chen, Ming-Jen; Li, Chen-Yu; Tsai, Chen-Yen; Ko, Bao-Tsan","2-(2-Methoxy-5-methylphenyl)-2H-benzotriazole","Acta Crystallographica Section E","2010","66","9","o2279","","10.1107/S1600536810031363","","","0.71073","MoKα","","0.0533","0.0457","","","0.1296","0.1364","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227776","7.7338","0.0005","24.3478","0.0016","9.8593","0.0006","90","","90.074","0.001","90","","1856.5","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Benzoyl-1,1-dibenzylthiourea","","- C22 H20 N2 O S -","- C22 H20 N2 O S -","- C88 H80 N8 O4 S4 -","4","2","LH5120","Gunasekaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Benzoyl-1,1-dibenzylthiourea","Acta Crystallographica Section E","2010","66","10","o2572","o2573","10.1107/S1600536810036226","","","0.71073","MoKα","","0.0627","0.0584","","","0.1542","0.1572","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227781","8.7793","0.0007","10.8729","0.001","10.0801","0.0009","90","","104.552","0.001","90","","931.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Guanidinium L-glutamate","bis(carbamimidoylazanium) (2R)-2-aminopentanedioate","","- C6 H14 N4 O4 -","- C6 H14 N4 O4 -","- C24 H56 N16 O16 -","4","2","LH5125","Peng, Bing; Peng, Qingrong; Zhou, Wenfeng; Zhou, Zhiqiang","Guanidinium L-glutamate","Acta Crystallographica Section E","2010","66","10","o2679","","10.1107/S1600536810036354","","","0.71073","MoKα","","0.0333","0.0309","","","0.0791","0.081","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227854","4.4611","0.0007","9.4546","0.0014","13.464","0.002","90","","91.642","0.002","90","","567.65","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-chloro-[2-(4-chlorophenyl)hydrazin-1-ylidene]acetate","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C20 H20 Cl4 N4 O4 -","2","1","NK2055","Asiri, Abdullah M.; Zayed, Mohie E. M.; Ng, Seik Weng","Ethyl 2-chloro-[2-(4-chlorophenyl)hydrazin-1-ylidene]acetate","Acta Crystallographica Section E","2010","66","9","o2375","","10.1107/S1600536810032599","","","0.71073","MoKα","","0.0806","0.072","","","0.1807","0.188","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227865","11.9171","0.0012","7.3523","0.0004","23.679","0.002","90","","92.775","0.008","90","","2072.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","17-Acetoxymulinic acid","5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b- dodecahydro-7,10-endo-epidioxycyclohepta[e]indene- 3a-carboxylic acid","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","2","OM2352","Brito, Iván; Bórquez, Jorge; Albanez, Joselyn; Bolte, Michael; Peña-Rodríguez, Luis Manuel","17-Acetoxymulinic acid","Acta Crystallographica Section E","2010","66","9","o2452","o2453","10.1107/S1600536810032952","","","0.71073","MoKα","","0.0867","0.0551","","","0.1267","0.137","","","","","","0.903","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227894","9.3988","0.0013","6.2511","0.0008","10.8575","0.0015","90","","105.731","0.009","90","","614.02","0.15","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-(1-Ammoniopropyl)phosphonate","","- C3 H10 N O3 P -","- C3 H10 N O3 P -","- C12 H40 N4 O12 P4 -","4","2","PK2268","Fernandes, José A.; Vilela, Sérgio M. F.; Almeida Paz, Filipe A.","(R)-(1-Ammoniopropyl)phosphonate","Acta Crystallographica Section E","2010","66","11","o2823","o2824","10.1107/S1600536810040304","","","0.71073","MoKα","","0.0603","0.0421","","","0.0813","0.0876","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227983","8.1588","0.0004","10.1498","0.0004","8.9242","0.0005","90","","105.545","0.004","90","","711.98","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-N-[(S)-1-phenylethyl]benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","SI2286","Keleşoğlu, Zeynep; Gültekin, Zeynep; Büyükgüngör, Orhan","4-Methyl-N-[(S)-1-phenylethyl]benzenesulfonamide","Acta Crystallographica Section E","2010","66","9","o2363","o2364","10.1107/S1600536810032113","","","0.71073","MoKα","","0.0294","0.0285","","","0.0751","0.0757","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228009","4.0013","0.0003","11.0211","0.0009","14.6931","0.0011","90","","95.781","0.002","90","","644.65","0.09","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thienyl)prop-2-en-1-one","","- C14 H9 Br O3 S -","- C14 H9 Br O3 S -","- C28 H18 Br2 O6 S2 -","2","1","SU2204","Harrison, William T. A.; Chidan Kumar, C. S.; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.","(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","10","o2477","","10.1107/S1600536810035129","","","0.71073","MoKα","","0.0493","0.038","","","0.0872","0.0906","","","","","","0.943","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228018","14.011","0.004","8.516","0.003","17.403","0.005","90","","109.637","0.006","90","","1955.7","1.1","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-(Disulfanediyl)dibenzoic acid‒2,9-dimethylphenanthroline‒tetrahydrofuran (1/2/1)","","- C46 H42 N4 O5 S2 -","- C46 H42 N4 O5 S2 -","- C92 H84 N8 O10 S4 -","2","1","SU2213","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","2,2'-(Disulfanediyl)dibenzoic acid‒2,9-dimethylphenanthroline‒tetrahydrofuran (1/2/1)","Acta Crystallographica Section E","2010","66","10","o2602","","10.1107/S1600536810037165","","","0.71073","MoKα","","0.073","0.068","","","0.162","0.169","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228020","10.914","0.003","6.459","0.002","11.358","0.002","90","","93","0.003","90","","799.6","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-N'-(4-methoxybenzylidene)benzohydrazide methanol monosolvate","","- C16 H17 Cl N2 O3 -","- C16 H17 Cl N2 O3 -","- C32 H34 Cl2 N4 O6 -","2","1","SU2215","Huang, Hai-Tao; Wu, Hong-Yuan","4-Chloro-N'-(4-methoxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2010","66","11","o2729","o2730","10.1107/S1600536810038857","","","0.71073","MoKα","","0.1278","0.0599","","","0.1005","0.1231","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228023","4.6033","0.0002","5.3915","0.0002","15.9444","0.0008","90","","97.994","0.003","90","","391.87","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Bromophenyl)urea","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C14 H14 Br2 N4 O2 -","2","1","SU2219","Štěpnička, Petr; Císařová, Ivana","N-(4-Bromophenyl)urea","Acta Crystallographica Section E","2010","66","11","o2879","","10.1107/S1600536810041735","","","0.71073","MoKα","","0.025","0.0234","","","0.0555","0.0562","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228038","4.8255","0.0002","10.852","0.0005","12.7701","0.0006","90","","96.055","0.004","90","","664.99","0.05","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C30 H28 Cl2 N2 O4 -","2","1","TK2709","Davis, Rohan A.; Healy, Peter C.","N-Benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide","Acta Crystallographica Section E","2010","66","10","o2521","","10.1107/S1600536810035397","","","0.7107","MoKα","","0.0375","0.0303","","","0.0686","0.0704","","","","","","0.959","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228102","4.6645","0.0004","10.4006","0.0009","13.5381","0.0011","90","","98.674","0.001","90","","649.27","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-1-(2,4,6-Trihydroxybenzylidene)-4-ethylthiosemicarbazide dihydrate","","- C10 H17 N3 O5 S -","- C10 H17 N3 O5 S -","- C20 H34 N6 O10 S2 -","2","1","XU5011","Shawish, Hana Bashir; Tan, Kong Wai; Maah, M. Jamil; Ng, Seik Weng","(E)-1-(2,4,6-Trihydroxybenzylidene)-4-ethylthiosemicarbazide dihydrate","Acta Crystallographica Section E","2010","66","9","o2230","","10.1107/S1600536810030783","","","0.71073","MoKα","","0.0299","0.0284","","","0.0729","0.0741","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228108","8.6013","0.0017","6.4495","0.0013","12.024","0.002","90","","101.64","0.03","90","","653.3","0.2","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II)","","- C5 H18 Cl4 Fe N2 O2 -","- C5 H18 Cl4 Fe N2 O2 -","- C10 H36 Cl8 Fe2 N4 O4 -","2","1","XU5019","Peng, Cong-Hu; Li, Yun-Peng","(R)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II)","Acta Crystallographica Section E","2010","66","10","m1224","","10.1107/S1600536810035506","","","0.71073","MoKα","","0.0245","0.0225","","","0.0498","0.0504","","","","","","1.077","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228138","8.246","0.0016","5.966","0.0012","18.132","0.004","90","","99.81","0.03","90","","879","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2R,4R)-3-(tert-Butoxycarbonyl)-2-(3-chlorophenyl)- 1,3-thiazolidine-4-carboxylic acid monohydrate","","- C15 H20 Cl N O5 S -","- C15 H20 Cl N O5 S -","- C30 H40 Cl2 N2 O10 S2 -","2","1","XU5054","Song, Zhong-Cheng; Guo, Ying; Liu, Wen-Hong; Hu, Li-Chun; Cai, Sheng-Nan","(2R,4R)-3-(tert-Butoxycarbonyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid monohydrate","Acta Crystallographica Section E","2010","66","11","o2934","","10.1107/S1600536810042133","","","0.71073","MoKα","","0.107","0.0677","","","0.1444","0.1668","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228141","5.1332","0.0001","18.0803","0.0006","15.0202","0.0004","90","","90.449","0.002","90","","1393.98","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4-Cyanophenyl)-N-phenyloxirane-2-carboxamide","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","2","XU5057","He, Long","3-(4-Cyanophenyl)-N-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2010","66","11","o2959","","10.1107/S1600536810043059","","","1.54184","CuKα","","0.0884","0.0834","","","0.1763","0.1778","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228171","6.9741","0.0003","13.0892","0.0005","16.9594","0.0005","90","","101.701","0.003","90","","1515.97","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-diclorocamphorquinoxaline","(1R,4S)-7,8-Dichloro-1,2,3,4-tetrahydro-1,11,11-trimethyl- 1,4-methanophenazine","","- C16 H16 Cl2 N2 -","- C16 H16 Cl2 N2 -","- C64 H64 Cl8 N8 -","4","2","ZL2314","Crundwell, Guy; Glagovich, Neil","(1R,4S)-7,8-Dichloro-1,2,3,4-tetrahydro-1,11,11-trimethyl-1,4-methanophenazine","Acta Crystallographica Section E","2010","66","11","o3042","","10.1107/S1600536810044016","","","0.71073","MoKα","","0.1045","0.0584","","","0.1417","0.1628","","","","","","0.927","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228219","9.244","0.0018","6.5","0.0013","13.448","0.003","90","","110.1","0.03","90","","758.8","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","Diethyl 2-[(4-bromoanilino)methylidene]propanedioate","Diethyl 2-[(4-bromoanilino)methylidene]malonate","","- C14 H16 Br N O4 -","- C14 H16 Br N O4 -","- C28 H32 Br2 N2 O8 -","2","1","BQ2249","Feng, Zhi-Qiang; Yang, Xiao-Li; Ye, Yuan-Feng; Dong, Tao; Wang, Huai-Qing","Diethyl 2-[(4-bromoanilino)methylidene]malonate","Acta Crystallographica Section E","2010","66","12","o3119","","10.1107/S1600536810045150","","","0.71073","MoKα","","0.115","0.066","","","0.1365","0.1535","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228272","10.6447","0.0008","8.3655","0.0008","14.0123","0.0013","90","","92.263","0.002","90","","1246.8","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-tetra-O-acetyl-2-phthalimido-β-D-glucopyranoside","","- C24 H27 N O12 -","- C24 H27 N O12 -","- C48 H54 N2 O24 -","2","1","CV2796","Gervasio, Giuliana; Marabello, Domenica; Bertolotti, Federica","2,3,4,6-Tetra-O-acetyl-2-phthalimido-β-D-glucopyranoside","Acta Crystallographica Section E","2010","66","12","o3299","","10.1107/S1600536810048099","","","0.71073","MoKα","","0.0764","0.0512","","","0.1202","0.132","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228309","8.239","0.0003","10.6482","0.0004","9.4633","0.0003","90","","102.039","0.002","90","","811.96","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","9α-Acetoxy-1β,10α-epoxyparthenolide","1a,5-dimethyl-8-methylene-9-oxoperhydro-4β,5α- epoxyoxireno[9,10]cyclodeca[1,2-b]furan-6α-yl acetate","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","FJ2367","Moumou, Mohamed; Akssira, Mohamed; El Hakmaoui, Ahmed; Elammari, Lahcen; Benharref, Ahmed; Berraho, Moha","9α-Acetoxy-1β,10α-epoxyparthenolide","Acta Crystallographica Section E","2010","66","12","o3239","","10.1107/S1600536810047471","","","0.71073","MoKα","","0.043","0.0381","","","0.107","0.1146","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228361","8.31483","0.00009","10.31672","0.0001","10.33015","0.00011","90","","91.0961","0.001","90","","885.976","0.016","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-2-[(2S*,5R*,6R*)-5,6-Dimethoxy-5,6- dimethyl-1,4-dioxan-2-yl]-1-[(S)-1,1-dimethylethylsulfonyl]aziridine","","- C14 H27 N O6 S -","- C14 H27 N O6 S -","- C28 H54 N2 O12 S2 -","2","1","HB5738","Moragas Solà, Toni; Lewis, William; Bettigeri, Sampada V.; Stockman, Robert A.; Forbes, David C.","(2S)-2-[(2S*,5R*,6R*)-5,6-Dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-1-[(S)-1,1-dimethylethylsulfonyl]aziridine","Acta Crystallographica Section E","2010","66","12","o3335","","10.1107/S1600536810048816","","","1.5418","CuKα","","0.038","0.0379","","","0.1034","0.1035","","","","","","1.101","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228365","9.997","0.002","9.563","0.002","12.751","0.003","90","","95.008","0.004","90","","1214.4","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-(4-tert-Butylphenyl)-1-(4-chloro-1-ethyl-3-methyl- 1H-pyrazol-5-yl)-2-cyanoethenyl 2,2-dimethylpropanoate","","- C24 H30 Cl N3 O2 -","- C24 H30 Cl N3 O2 -","- C48 H60 Cl2 N6 O4 -","2","1","HB5743","Xu, Man; Yu, Haibo; Li, Bin","(E)-2-(4-tert-Butylphenyl)-1-(4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-yl)-2-cyanoethenyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2010","66","12","o3271","","10.1107/S1600536810048087","","","0.71073","MoKα","","0.0371","0.0331","","","0.0837","0.0874","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228366","5.1634","0.0002","32.3173","0.0011","5.703","0.0002","90","","103.918","0.002","90","","923.7","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl N-[(S)-2-hydroxy-1-({[(E)-2-hydroxy- 4-methoxybenzylidene]hydrazinyl}carbonyl)ethyl]carbamate","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C38 H42 N6 O12 -","2","1","HB5744","de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","Benzyl N-[(S)-2-hydroxy-1-({[(E)-2-hydroxy-4-methoxybenzylidene]hydrazinyl}carbonyl)ethyl]carbamate","Acta Crystallographica Section E","2010","66","12","o3253","o3254","10.1107/S1600536810047720","","","0.71073","MoKα","","0.037","0.032","","","0.074","0.078","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228377","7.4602","0.0002","12.7353","0.0003","24.9325","0.0005","90","","92.319","0.002","90","","2366.84","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","carbazole","1-(1-Hydroxy-8-methyl-9H-carbazol-2-yl)ethanone","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","4","HG2736","Archana, R.; Prabakaran, K.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","1-(1-Hydroxy-8-methyl-9H-carbazol-2-yl)ethanone","Acta Crystallographica Section E","2010","66","12","o3146","","10.1107/S1600536810045769","","","1.54184","CuKα","","0.0514","0.0422","","","0.1123","0.1223","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228387","7.47","0.0019","5.8973","0.0015","9.952","0.002","90","","109.939","0.006","90","","412.13","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-2,6-dinitrophenol","","- C6 H3 Cl N2 O5 -","- C6 H3 Cl N2 O5 -","- C12 H6 Cl2 N4 O10 -","2","1","HG2748","Ng, Seik Weng","4-Chloro-2,6-dinitrophenol","Acta Crystallographica Section E","2010","66","12","o3204","","10.1107/S1600536810046490","","","0.71073","MoKα","","0.1211","0.0506","","","0.0747","0.0976","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228422","11.339","0.0015","5.383","0.0008","12.049","0.0018","90","","91.581","0.007","90","","735.16","0.18","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-3-[(4-Ethoxyphenyl)(hydroxy)methylidene]-1-isopropylpyrrolidine-2,4- dione","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","IS2629","Liu, Shang-Yuan; Xu, Hai-Zhen; Zhu, You-Quan","(Z)-3-[(4-Ethoxyphenyl)(hydroxy)methylidene]-1-isopropylpyrrolidine-2,4-dione","Acta Crystallographica Section E","2010","66","12","o3202","","10.1107/S1600536810046465","","","0.71075","MoKα","","0.0358","0.032","","","0.0772","0.0789","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228451","6.4299","0.0013","9.784","0.002","10.279","0.002","90","","90.12","0.03","90","","646.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,4R)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2- carboxylic acid","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C22 H38 N2 O10 -","2","1","KP2285","Yuan, Jing; Cai, Zhi-Qiang; Huang, Chang-Jiang; Xu, Wei-Ren","(2R,4R)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid","Acta Crystallographica Section E","2010","66","12","o3258","","10.1107/S1600536810047707","","","0.71073","MoKα","","0.0521","0.037","","","0.0804","0.0863","","","","","","0.938","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228505","11.2444","0.0001","15.772","0.0002","20.6204","0.0002","90","","95.998","0.001","90","","3636.94","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Levocetirizinium dipicrate","1-[2-(Carboxymethoxy)ethyl]-4-[(R)-(4- chlorophenyl)phenylmethyl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate)","","- C33 H31 Cl N8 O17 -","- C33 H31 Cl N8 O17 -","- C132 H124 Cl4 N32 O68 -","4","2","OM2375","Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Ramesha, A. R.","Levocetirizinium dipicrate","Acta Crystallographica Section E","2010","66","12","o3167","","10.1107/S1600536810045733","","","1.54178","CuKα","","0.0456","0.0441","","","0.1207","0.1223","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228507","11.2372","0.0003","10.191","0.0003","22.5084","0.0007","90","","104.103","0.003","90","","2499.93","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2:3,5-Bis[(4-tert-butylphenyl)boranediyl]-α-D-glucofuranose","","- C26 H34 B2 O6 -","- C26 H34 B2 O6 -","- C104 H136 B8 O24 -","4","2","PB2045","Dabrowski, Marek; Luliński, Sergiusz; Serwatowski, Janusz; Wilmowicz, Agnieszka","1,2:3,5-Bis[(4-tert-butylphenyl)boranediyl]-α-D-glucofuranose","Acta Crystallographica Section E","2010","66","12","o3166","","10.1107/S1600536810046222","","","0.71073","MoKα","","0.0404","0.0307","","","0.0703","0.0718","","","","","","0.991","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228529","13.87","0.005","10.153","0.004","15.715","0.006","90","","106.831","0.004","90","","2118.2","1.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3:4,5-Di-O-isopropylidenefructos-1-yl p-toluenesulfonate","","- C19 H26 O8 S -","- C19 H26 O8 S -","- C76 H104 O32 S4 -","4","2","RK2243","Huo, Shiyong; Li, Yueqing; Liang, Chaoyan; Liu, Jihong; Zhao, Weijie","2,3:4,5-Di-O-isopropylidenefructos-1-yl p-toluenesulfonate","Acta Crystallographica Section E","2010","66","12","o3097","","10.1107/S1600536810044582","","","0.71073","MoKα","","0.0427","0.0342","","","0.0833","0.0884","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228543","7.859","0.0006","10.0153","0.0011","14.4884","0.0016","90","","90.123","0.001","90","","1140.4","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichlorido{1-[(2-hydroxyethyl)iminomethyl]-2-naphtholato}pyridineiron(III) pyridine monosolvate","","- C23 H22 Cl2 Fe N3 O2 -","- C23 H22 Cl2 Fe N3 O2 -","- C46 H44 Cl4 Fe2 N6 O4 -","2","1","RZ2519","Liu, Shizheng; Yang, Jie; Lv, Lei; Li, Dacheng","Dichlorido{1-[(2-hydroxyethyl)iminomethyl]-2-naphtholato}pyridineiron(III) pyridine monosolvate","Acta Crystallographica Section E","2010","66","12","m1585","","10.1107/S1600536810046623","","","0.71073","MoKα","","0.0364","0.032","","","0.0801","0.0845","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228604","6.205","0.001","11.853","0.002","6.716","0.001","90","","114.78","0.03","90","","448.47","0.16","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(4-hydroxyphenoxy)propanoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C18 H20 O8 -","2","1","XU5075","Gu, Zhun; Jia, Hong-Sheng; Cheng, Wei","2-(4-Hydroxyphenoxy)propanoic acid","Acta Crystallographica Section E","2010","66","12","o3366","","10.1107/S1600536810049469","","","0.71073","MoKα","","0.0507","0.0399","","","0.0958","0.1372","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228606","11.1981","0.0012","10.419","0.0011","21.298","0.002","90","","98.552","0.001","90","","2457.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[N-(3-Methoxy-2-oxidobenzylidene-κO^2^)leucinato- κ^2^N,O](1,10-phenanthroline- κ^2^N,N')copper(II) monohydrate","","- C26 H27 Cu N3 O5 -","- C26 H27 Cu N3 O5 -","- C104 H108 Cu4 N12 O20 -","4","2","XU5077","Huang, Lei; Dong, Jianfang; Jing, Buqin; Li, Lianzhi; Wang, Daqi","[N-(3-Methoxy-2-oxidobenzylidene-κO^2^)leucinato-κ^2^N,O](1,10-phenanthroline-κ^2^N,N')copper(II) monohydrate","Acta Crystallographica Section E","2010","66","12","m1553","","10.1107/S160053681004554X","","","0.71073","MoKα","","0.0603","0.0381","","","0.0886","0.101","","","","","","1.006","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228607","10.687","0.005","7.76","0.005","12.03","0.005","90","","97.455","0.005","90","","989.2","0.9","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Diethyl 4-acetyl-5-(2-nitrophenyl)pyrrolidine-2,2-dicarboxylate","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","XU5078","He, Long","Diethyl 4-acetyl-5-(2-nitrophenyl)pyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section E","2010","66","12","o3205","","10.1107/S1600536810045691","","","1.54184","CuKα","","0.0847","0.0807","","","0.1646","0.166","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228619","4.8552","0.001","7.5862","0.0015","10.884","0.002","90","","92.88","0.03","90","","400.38","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(1H-Tetrazol-5-yl)pyridinium chloride","","- C6 H6 Cl N5 -","- C6 H6 Cl N5 -","- C12 H12 Cl2 N10 -","2","1","XU5091","Zhang, Yan-Wei","4-(1H-Tetrazol-5-yl)pyridinium chloride","Acta Crystallographica Section E","2010","66","12","o3297","","10.1107/S1600536810047756","","","0.71073","MoKα","","0.0356","0.0312","","","0.0694","0.0712","","","","","","1.109","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228623","17.033","0.0018","11.227","0.0012","17.404","0.002","90","","100.073","0.002","90","","3276.9","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5S)-4-(2,2-Dimethylpropyl)-5-isopropyl-1,3,4-oxadiazinan-2-one","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C110 H220 N20 O20 -","10","5","ZL2318","Edler, Kate L.; Kirk, Sharon E. E.; Davis, Ryan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(5S)-4-(2,2-Dimethylpropyl)-5-isopropyl-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2010","66","12","o3329","o3330","10.1107/S1600536810048798","","","0.71073","MoKα","","","0.0521","","","","0.1444","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228627","15.639","0.003","30.002","0.006","22.532","0.004","90","","90.53","0.03","90","","10572","3","153","2","153","2","","","","","","","","9","P 1 21 1","P 2yb","4","","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-\ κ^2^O,O')cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag Ce N14 O10 P4 S4 W -","- C24 H72 Ag Ce N14 O10 P4 S4 W -","- C192 H576 Ag8 Ce8 N112 O80 P32 S32 W8 -","8","4","ZQ2066","Wei, Hongyang; Zhang, Jinfang; Zhang, Chi","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ^2^O,O')cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2010","66","12","m1657","m1658","10.1107/S1600536810044260","","","0.71073","MoKα","","0.0369","0.0344","","","0.066","0.068","","","","","","1.063","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228686","4.6777","0.0016","11.726","0.004","13.328","0.005","90","","94.224","0.007","90","","729.1","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1H-1,2,3-Benzotriazol-1-yl)-N'-(2- chlorobenzylidene)acetohydrazide","","- C15 H12 Cl N5 O -","- C15 H12 Cl N5 O -","- C30 H24 Cl2 N10 O2 -","2","1","CV5009","He, Guo-Fang; Shi, Zhi-Qiang","2-(1H-1,2,3-Benzotriazol-1-yl)-N'-(2-chlorobenzylidene)acetohydrazide","Acta Crystallographica Section E","2011","67","1","o48","","10.1107/S1600536810050440","","","0.71073","MoKα","","0.0747","0.0433","","","0.0757","0.0894","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228710","6.0593","0.0004","7.2095","0.0007","21.8937","0.0019","90","","91.86","0.007","90","","955.91","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-[4-(Dimethylamino)phenyl]-1-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a- octahydronaphthalen-2-yl)prop-2-en-1-one","","- C23 H31 N O -","- C23 H31 N O -","- C46 H62 N2 O2 -","2","1","FJ2378","Tebbaa, Mohamed; Akssira, Mohamed; Elhakmaoui, Ahmed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","3-[4-(Dimethylamino)phenyl]-1-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","1","o237","","10.1107/S160053681005333X","","","0.71073","MoKα","","0.0377","0.0327","","","0.0864","0.0886","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228720","5.8281","0.0004","24.5421","0.0016","5.8776","0.0004","90","","105.908","0.004","90","","808.5","0.1","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2R,4S)-1-[(Benzylamino)methyl]-4-(prop-1-en-2- yl)cyclohexane-1,2-diol","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","GK2332","Outouch, Rachid; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado","(1S,2R,4S)-1-[(Benzylamino)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol","Acta Crystallographica Section E","2011","67","1","o195","o196","10.1107/S1600536810052323","","","1.54178","CuKα","","0.033","0.0314","","","0.0905","0.0919","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228767","8.6159","0.0008","10.067","0.0009","10.1392","0.0009","90","","108.686","0.002","90","","833.08","0.13","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-benzyl-acid","(3S)-2-Benzyl-3-carboxy-1,2,3,4-tetrahydroisoquinolinium chloride monohydrate","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C34 H40 Cl2 N2 O6 -","2","1","IS2635","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(3S)-2-Benzyl-3-carboxy-1,2,3,4-tetrahydroisoquinolinium chloride monohydrate","Acta Crystallographica Section E","2011","67","1","o228","","10.1107/S1600536810053122","","","0.71073","MoKα","","0.0491","0.0364","","","0.0764","0.0819","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228776","9.1777","0.0004","5.2179","0.0002","15.1621","0.0007","90","","103.518","0.002","90","","705.97","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Methoxyphenyl)-4-methylbenzenesulfonamide","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C28 H30 N2 O6 S2 -","2","1","IS2644","Akkurt, Mehmet; Mariam, Irfana; Naseer, Ifrah; Khan, Islam Ullah; Sharif, Shahzad","N-(4-Methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o186","","10.1107/S1600536810052633","","","0.71073","MoKα","","0.067","0.043","","","0.0947","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228784","8.9224","0.0003","11.9605","0.0005","9.6827","0.0004","90","","110.782","0.001","90","","966.07","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,1'-Dibutyl-isoindigo","(E)-1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","JH2237","Yuan, Mao-Sen; Fang, Qi","(E)-1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione","Acta Crystallographica Section E","2011","67","1","o52","","10.1107/S160053681005066X","","","0.71073","MoKα","","0.0563","0.0436","","","0.1104","0.1205","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228799","13.0478","0.0004","10.5547","0.0003","16.5552","0.0006","90","","97.0347","0.0011","90","","2262.75","0.13","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Azido-3-O-benzyl-6-deoxy-N,N-diethyl-1,2-O- isopropylidene-D-glycero-α-D-gluco- heptofuranuronamide","","- C21 H30 N4 O6 -","- C21 H30 N4 O6 -","- C84 H120 N16 O24 -","4","2","LH5169","Jenkinson, S. F.; Oña, N.; Romero, A.; Fleet, G. W. J.; Thompson, A. L.; Pino-González, M. S.","6-Azido-3-O-benzyl-6-deoxy-N,N-diethyl-1,2-O-isopropylidene-D-glycero-α-D-gluco-heptofuranuronamide","Acta Crystallographica Section E","2011","67","1","o38","o39","10.1107/S1600536810048944","","","0.71073","MoKα","","0.0719","0.053","","0.1216","0.1111","0.1216","","","","","","0.9618","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228843","4.8688","0.001","7.685","0.0015","11.174","0.002","90","","92.38","0.03","90","","417.73","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(1H-Tetrazol-5-yl)pyridinium bromide","","- C6 H6 Br N5 -","- C6 H6 Br N5 -","- C12 H12 Br2 N10 -","2","1","PK2287","Zheng, Wen-Ni; Chen, Xin-Yuan","4-(1H-Tetrazol-5-yl)pyridinium bromide","Acta Crystallographica Section E","2011","67","1","o53","","10.1107/S1600536810050658","","","0.71073","MoKα","","0.0339","0.0294","","","0.0559","0.0576","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228867","11.3166","0.0003","19.4841","0.0003","14.0155","0.0004","90","","110.172","0.003","90","","2900.77","0.13","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2'-Bis(methoxymethoxy)-3,3'-diphenyl-1,1'-binaphthalene","","- C36 H30 O4 -","- C36 H30 O4 -","- C144 H120 O16 -","4","2","RZ2537","Zong, Hua; Huang, Hua-Yin; Hu, Bing; Bian, Guang-Ling; Song, Ling","2,2'-Bis(methoxymethoxy)-3,3'-diphenyl-1,1'-binaphthalene","Acta Crystallographica Section E","2011","67","1","o222","","10.1107/S1600536810053018","","","0.71073","MoKα","","0.056","0.0363","","","0.0662","0.0692","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228870","6.0991","0.0012","19.63","0.004","8.3699","0.0016","90","","93.073","0.002","90","","1000.6","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[(Dimethylamino)methyl]phenyl}bis(4-methylphenyl)bismuthane","","- C23 H26 Bi N -","- C23 H26 Bi N -","- C46 H52 Bi2 N2 -","2","1","SI2298","Kawahata, Masatoshi; Yasuike, Shuji; Kinebuchi, Izumi; Yamaguchi, Kentaro; Kurita, Jyoji","{2-[(Dimethylamino)methyl]phenyl}bis(4-methylphenyl)bismuthane","Acta Crystallographica Section E","2011","67","1","m25","","10.1107/S1600536810043655","","","0.71073","MoKα","","0.0221","0.0192","","","0.0362","0.037","","","","","","0.995","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228873","8.2827","0.0004","10.9513","0.0005","9.6201","0.0003","90","","92.536","0.002","90","","871.75","0.06","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(Trimethylsilyl)methanesulfonamide","","- C4 H13 N O2 S Si -","- C4 H13 N O2 S Si -","- C16 H52 N4 O8 S4 Si4 -","4","2","SI2314","McWilliams, Andrew R.; Gezahegna, Sossina; Lough, Alan J.","N-(Trimethylsilyl)methanesulfonamide","Acta Crystallographica Section E","2011","67","1","o93","","10.1107/S1600536810050336","","","0.71073","MoKα","","0.0518","0.0392","","","0.0841","0.0939","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228886","9.658","0.002","11.723","0.002","14.732","0.003","90","","93.216","0.002","90","","1665.3","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N'-(2-Hydroxy-3,5-diiodobenzylidene)-2-methylbenzohydrazide","","- C15 H12 I2 N2 O2 -","- C15 H12 I2 N2 O2 -","- C60 H48 I8 N8 O8 -","4","2","SJ5075","Tang, Chun-Bao","N'-(2-Hydroxy-3,5-diiodobenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","1","o166","","10.1107/S1600536810052050","","","0.71073","MoKα","","0.0651","0.0433","","","0.0808","0.0894","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228887","9.3455","0.0003","23.6079","0.0006","10.0517","0.0004","90","","103.819","0.004","90","","2153.49","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Disopropyl {[(2S,3S)-2-amino-3-methylpentanamido](phenyl)methyl}phosphonate","","- C19 H33 N2 O4 P -","- C19 H33 N2 O4 P -","- C76 H132 N8 O16 P4 -","4","2","SU2222","Cheng, Hong-Ming; Zhang, Han-Wen; Fang, Hua; Wu, Zhen; Zhao, Yu-Fen","Disopropyl {[(2S,3S)-2-amino-3-methylpentanamido](phenyl)methyl}phosphinate","Acta Crystallographica Section E","2011","67","1","o194","","10.1107/S1600536810051354","","","0.71073","MoKα","","0.0707","0.0432","","","0.0636","0.068","","","","","","0.822","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228921","7.9501","0.0016","15.324","0.003","9.0252","0.0018","90","","97.97","0.03","90","","1088.9","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4,6-Trimethylpyridinium dihydrogen phosphate","","- C8 H14 N O4 P -","- C8 H14 N O4 P -","- C32 H56 N4 O16 P4 -","4","2","XU5121","Dai, Jing; Xu, Jie","2,4,6-Trimethylpyridinium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","1","o149","","10.1107/S1600536810052153","","","0.71073","MoKα","","0.0584","0.0439","","","0.0947","0.1011","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228945","7.5652","0.001","29.263","0.003","7.6067","0.001","90","","118.741","0.002","90","","1476.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[hepta-μ~2~-aqua-bis(μ~2~-pyrazine-2-carboxylato)dibarium] bis(pyrazine-2-carboxylate)]","","- C10 H13 Ba N4 O7.5 -","- C10 H13 Ba N4 O7.5 -","- C40 H52 Ba4 N16 O30 -","4","2","BH2331","Shuai, Qi; Ding, Ke-Lian; Hu, Fan; Yu, Ping","Poly[[hepta-μ~2~-aqua-bis(μ~2~-pyrazine-2-carboxylato)dibarium] bis(pyrazine-2-carboxylate)]","Acta Crystallographica Section E","2011","67","2","m283","m284","10.1107/S1600536811003023","","","0.71073","MoKα","","0.0488","0.046","","","0.1186","0.1206","","","","","","1.024","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2229007","9.9615","0.0011","7.6586","0.0008","11.3461","0.0014","90","","98.979","0.001","90","","855","0.17","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,4S)-2-(2,4-Difluorophenyl)-5-[(4-methylphenyl)sulfonyl]- 2,5-diazabicyclo[2.2.1]heptane","","- C18 H18 F2 N2 O2 S -","- C18 H18 F2 N2 O2 S -","- C36 H36 F4 N4 O4 S2 -","2","1","CV5024","Wu, Chunli; Zhang, Jingyu; Li, Pan; Zhang, Junxia; Wu, Jizhou","(1S,4S)-2-(2,4-Difluorophenyl)-5-[(4-methylphenyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane","Acta Crystallographica Section E","2011","67","2","o272","","10.1107/S1600536810054541","","","0.71073","MoKα","","0.0713","0.0448","","","0.0897","0.103","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229008","5.083","0.003","27.336","0.013","5.22","0.003","90","","91.977","0.012","90","","724.9","0.7","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","CV5025","Liu, Jing; Liu, Yong-Feng; Zhang, Shi; Gao, Ying; Chen, Hong","N-Cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide","Acta Crystallographica Section E","2011","67","2","o288","","10.1107/S1600536810054656","","","0.71073","MoKα","","0.0416","0.0345","","","0.0723","0.0755","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229009","9.812","0.003","7.578","0.002","16.13","0.005","90","","92.832","0.004","90","","1197.9","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(22E,24R)-5α-Ergosta-2,22-dien-6-one","","- C28 H44 O -","- C28 H44 O -","- C56 H88 O2 -","2","1","CV5027","Sheng, Liu-qing; Zeng, Fang; Chen, Fei; Xia, Chun-nian","(22E,24R)-5α-Ergosta-2,22-dien-6-one","Acta Crystallographica Section E","2011","67","2","o507","","10.1107/S1600536811002388","","","0.71073","MoKα","","0.0478","0.0416","","","0.0866","0.0913","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229070","13.338","0.003","8.101","0.0016","14.311","0.003","90","","106.26","0.03","90","","1484.5","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Carboxymethyl ursolate monohydrate","","- C32 H52 O6 -","- C32 H52 O6 -","- C64 H104 O12 -","2","1","HB5787","Zhong, Yan; Dai, ZhaoHui; Teng, YanBo; Wu, Bin; Zhou, JianPing","Carboxymethyl ursolate monohydrate","Acta Crystallographica Section E","2011","67","2","o428","","10.1107/S1600536811001619","","","0.71073","MoKα","","0.0611","0.0476","","","0.1232","0.134","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229122","6.2193","0.0002","8.8411","0.0004","9.9699","0.0004","90","","90.791","0.001","90","","548.15","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(piperidin-1-yl)methanone","","- C11 H20 N2 O -","- C11 H20 N2 O -","- C22 H40 N4 O2 -","2","1","JH2250","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","Bis(piperidin-1-yl)methanone","Acta Crystallographica Section E","2011","67","2","o397","","10.1107/S1600536811001334","","","0.71073","MoKα","","0.0303","0.0297","","","0.0804","0.081","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229211","11.02755","0.00013","16.8178","0.0002","12.50787","0.00014","90","","115.246","0.0014","90","","2098.14","0.05","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","(1-Ferrocenyl-4,4,4-trifluorobutane-1,3-dionato- κ^2^O,O)bis(triphenylphosphane)copper(I)","","- C50 H40 Cu F3 Fe O2 P2 -","- C50 H40 Cu F3 Fe O2 P2 -","- C100 H80 Cu2 F6 Fe2 O4 P4 -","2","1","SI2308","Rüffer, Tobias; Joubert, Chris C.; Buitendach, Blenerhassit E.; Swarts, Jannie C.; Jakob, Alexander; Lang, Heinrich","(1-Ferrocenyl-4,4,4-trifluorobutane-1,3-dionato-κ^2^O,O)bis(triphenylphosphane)copper(I)","Acta Crystallographica Section E","2011","67","2","m231","m232","10.1107/S1600536811001796","","","0.71073","MoKα","","0.0231","0.0204","","","0.0501","0.0523","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229242","12.986","0.003","25.583","0.005","14.292","0.003","90","","116.19","0.03","90","","4260.6","1.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^] hexadec-15-ene-5,14-dimethanol","","- C23 H38 O2 -","- C23 H38 O2 -","- C184 H304 O16 -","8","4","SU2242","Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yanqing","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,14-dimethanol","Acta Crystallographica Section E","2011","67","2","o359","","10.1107/S1600536811000705","","","0.71073","MoKα","","0.1132","0.0564","","","0.1257","0.1601","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229272","8.3622","0.0017","35.073","0.007","12.28","0.003","90","","105.4","0.03","90","","3472.3","1.4","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1-Ethyl-5-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)- 2-oxoacetamide","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","4","XU5111","Chen, Li-Ting; Lu, Yan-Ling; Chen, Hong; Zhou, Jing","2-(1-Ethyl-5-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide","Acta Crystallographica Section E","2011","67","2","o358","","10.1107/S1600536810054668","","","0.71073","MoKα","","0.0781","0.0615","","","0.1342","0.1444","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229286","7.546","0.0007","14.8102","0.0004","11.5773","0.0003","90","","109.905","0.001","90","","1216.56","0.12","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","Triamcinolone acetonide acetate","2-(4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa- pentaleno[2,1-a]phenanthren-6b-yl)-2-oxoethyl acetate","","- C26 H33 F O7 -","- C26 H33 F O7 -","- C52 H66 F2 O14 -","2","1","XU5133","Lu, Xiao; Tang, Gu-Ping; Gu, Jian-Ming; Hu, Xiu-Rong","Triamcinolone acetonide acetate","Acta Crystallographica Section E","2011","67","2","o360","","10.1107/S1600536811000316","","","0.71073","MoKα","","0.0465","0.035","","","0.0851","0.0997","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229334","14.1022","0.0002","6.6481","0.0001","15.2632","0.0002","90","","90.621","0.001","90","","1430.88","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","3β-acetoxy-12α-chloro-14α-izooleanano-28,14α-olide","3β-acetoxy-12α-chloro-D-friedooleanano-28,14β-olide","","- C32 H49 Cl O4 -","- C32 H49 Cl O4 -","- C64 H98 Cl2 O8 -","2","1","BT5473","Froelich, Anna; Kowiel, Marcin; Bednarczyk-Cwynar, Barbara; Zaprutko, Lucjusz; Gzella, Andrzej K.","3β-Acetoxy-12α-chloro-D-friedooleanan-28,14β-olide","Acta Crystallographica Section E","2011","67","3","o679","","10.1107/S160053681100585X","","","1.54184","CuKα","","0.0442","0.0429","","","0.1175","0.1188","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229375","6.4919","0.0007","9.4057","0.0009","10.3638","0.0011","90","","97.286","0.01","90","","627.71","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8- dimethylperhydronaphthalen-2-yl]ethan-1-one","","- C14 H24 O2 -","- C14 H24 O2 -","- C28 H48 O4 -","2","1","FJ2393","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","1-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethylperhydronaphthalen-2-yl]ethan-1-one","Acta Crystallographica Section E","2011","67","3","o601","","10.1107/S1600536811004454","","","0.71073","MoKα","","0.0474","0.043","","","0.1162","0.1188","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229376","7.757","0.0007","9.7041","0.0009","10.6901","0.001","90","","93.432","0.003","90","","803.25","0.13","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,3R,8R)-9-(1-Aminoethylidene)-2,2-dichloro-3,7,7- trimethyltricyclo[6.4.0.0^1,3^]undecan-10-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C32 H46 Cl4 N2 O2 -","2","1","FJ2396","Benharref, Ahmed; Lassaba, Essêdiya; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha","(1S,3R,8R)-9-(1-Aminoethylidene)-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]undecan-10-one","Acta Crystallographica Section E","2011","67","3","o645","o646","10.1107/S1600536811005307","","","0.71073","MoKα","","0.0294","0.0284","","","0.0783","0.0798","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229461","7.3604","0.0005","4.431","0.0006","14.0245","0.001","90","","92.482","0.001","90","","456.97","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Dibromo-2,3-dimethylphenol","","- C8 H8 Br2 O -","- C8 H8 Br2 O -","- C16 H16 Br4 O2 -","2","1","NG5106","Liu, Qiaoru; Wang, Jungang; Xue, Weijian; Li, Qi","4,6-Dibromo-2,3-dimethylphenol","Acta Crystallographica Section E","2011","67","3","o712","","10.1107/S1600536811003151","","","0.71073","MoKα","","0.0468","0.0366","","","0.0851","0.0899","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229478","9.06","0.0002","10.9238","0.0002","12.7845","0.0003","90","","102.759","0.002","90","","1234.03","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Di-tert-butylchlorido(N,N-dibenzyldithiocarbamato)tin(IV)","","- C23 H32 Cl N S2 Sn -","- C23 H32 Cl N S2 Sn -","- C46 H64 Cl2 N2 S4 Sn2 -","2","1","PK2305","Abdul Muthalib, Amirah Faizah; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","Di-tert-butylchlorido(N,N-dibenzyldithiocarbamato)tin(IV)","Acta Crystallographica Section E","2011","67","3","m386","","10.1107/S1600536811006866","","","0.71073","MoKα","","0.0359","0.0317","","","0.0689","0.0718","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229494","8.0487","0.0011","6.7247","0.0009","12.7467","0.0017","90","","101.802","0.007","90","","675.33","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-6-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","RZ2548","Dai, Wei-Min; Zhou, He; Hu, Yi-Qiao","2-Amino-6-methylpyridinium 4-nitrobenzoate","Acta Crystallographica Section E","2011","67","3","o578","","10.1107/S1600536811003539","","","0.71073","MoKα","","0.0521","0.0389","","","0.0933","0.1052","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229575","10.6558","0.0007","10.3017","0.0006","6.3119","0.0003","90","","91.251","0.005","90","","692.71","0.07","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-4-(2-Chloropropan-2-yl)-1-(2,2,2-trichloroethyl)cyclohexene","","- C11 H16 Cl4 -","- C11 H16 Cl4 -","- C22 H32 Cl8 -","2","1","BG2395","Boualy, Brahim; Harrad, Mohamed Anoir; Firdoussi, Larbi El; Ali, Mustapha Ait; Rizzoli, Corrado","(S)-4-(2-Chloropropan-2-yl)-1-(2,2,2-trichloroethyl)cyclohexene","Acta Crystallographica Section E","2011","67","4","o960","","10.1107/S1600536811010257","","","1.54178","CuKα","","0.0458","0.0398","","","0.1198","0.1293","","","","","","1.156","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229579","8.457","0.0017","5.414","0.0011","12.125","0.002","90","","92.28","0.03","90","","554.72","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate","","- C11 H9 F2 N3 O2 -","- C11 H9 F2 N3 O2 -","- C22 H18 F4 N6 O4 -","2","1","BQ2275","Dong, Su-Lan; Cheng, Xiao-Chun","Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2011","67","4","o769","","10.1107/S1600536811006684","","","0.71073","MoKα","","0.0371","0.032","","","0.084","0.0882","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229583","8.6934","0.0008","5.4716","0.0005","22.1","0.002","90","","101.006","0.001","90","","1031.89","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Isopropyl-5-methylcyclohexyl diphenylphosphonamidate","N-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}(phenyl)phosphoryl)aniline","","- C22 H30 N O2 P -","- C22 H30 N O2 P -","- C44 H60 N2 O4 P2 -","2","1","BQ2285","Meng, Fan-Jie; Zhao, Chang-Qiu","2-Isopropyl-5-methylcyclohexyl diphenylphosphonamidate","Acta Crystallographica Section E","2011","67","4","o998","","10.1107/S1600536811010580","","","0.71073","MoKα","","0.0632","0.0447","","","0.0948","0.1044","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229584","11.088","0.002","5.349","0.0007","12.344","0.002","90","","104.45","0.02","90","","709","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methyl-N-(4-nitrobenzoyl)benzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C28 H24 N4 O10 S2 -","2","1","BQ2287","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","2-Methyl-N-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o929","","10.1107/S1600536811009846","","","0.71073","MoKα","","0.0712","0.0581","","","0.1335","0.1458","","","","","","1.219","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229585","4.8698","0.0002","8.2761","0.0004","6.998","0.0003","90","","109.65","0.002","90","","265.62","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","indium iron lithium diphosphate","","- Fe0.49 In0.51 Li O7 P2 -","- Fe0.4862 In0.5138 Li O7 P2 -","- Fe0.9724 In1.0276 Li2 O14 P4 -","2","1","BR2162","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen","A mixed indium‒iron lithium diphosphate, In~0.51~Fe~0.49~LiP~2~O~7~","Acta Crystallographica Section E","2011","67","4","i27","","10.1107/S1600536811009111","","","0.71073","MoKα","","0.0137","0.0134","","","0.0317","0.0318","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229596","11.713","0.002","5.0681","0.0007","12.476","0.002","90","","104.45","0.01","90","","717.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-Chloro-N-(4-nitrobenzoyl)benzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C26 H18 Cl2 N4 O10 S2 -","2","1","BT5491","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-N-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o904","","10.1107/S160053681100969X","","","0.71073","MoKα","","0.0338","0.0293","","","0.069","0.0713","","","","","","0.974","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229598","11.097","0.002","5.3063","0.0007","12.319","0.002","90","","104.24","0.02","90","","703.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-Chloro-N-(4-nitrobenzoyl)benzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C26 H18 Cl2 N4 O10 S2 -","2","1","BT5494","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","2-Chloro-N-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o930","","10.1107/S1600536811009913","","","0.71073","MoKα","","0.0363","0.033","","","0.0849","0.0872","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229610","11.4892","0.0013","5.8872","0.0006","16.3531","0.0017","90","","94.696","0.001","90","","1102.4","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Isopropyl-5-methylcyclohexyl cyclohexyl(phenyl)phosphinate","","- C22 H35 O2 P -","- C22 H35 O2 P -","- C44 H70 O4 P2 -","2","1","CV5058","Xu, Hao; Liu, Li-Juan; Meng, Fan-Jie; Zhao, Chang-Qiu","2-Isopropyl-5-methylcyclohexyl cyclohexyl(phenyl)phosphinate","Acta Crystallographica Section E","2011","67","4","o991","","10.1107/S1600536811010592","","","0.71073","MoKα","","0.0941","0.0528","","","0.106","0.1192","","","","","","0.92","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229611","7.0263","0.0009","9.9443","0.0013","10.6462","0.0014","90","","93.975","0.002","90","","742.08","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2- dioxaphosphinane 2-oxide","","- C12 H15 Cl2 O4 P -","- C12 H15 Cl2 O4 P -","- C24 H30 Cl4 O8 P2 -","2","1","CV5059","Wang, Chubei; Peng, Hao; Tan, Xiaosong; He, Hongwu","(S)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2011","67","4","o920","","10.1107/S1600536811009585","","","0.71073","MoKα","","0.044","0.0424","","","0.1036","0.105","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229630","11.8358","0.0004","5.6664","0.0002","17.5079","0.0006","90","","109.616","0.004","90","","1106.05","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Formylphenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C42 H48 O22 -","2","1","EZ2236","Hussen, Rusnah Syahila Duali; Heidelberg, Thorsten; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.","4-Formylphenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside","Acta Crystallographica Section E","2011","67","4","o826","","10.1107/S1600536811008257","","","0.71073","MoKα","","0.04","0.035","","","0.083","0.086","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229642","11.6731","0.0008","6.4314","0.0004","12.1488","0.001","90","","111.592","0.009","90","","848.06","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-4a,9,10,10a-tetrahydro- phenanthren-2(1H)-one","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","FJ2405","Benharref, Ahmed; Lassaba, Essêdiya; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-4a,9,10,10a-tetrahydro-phenanthren-2(1H)-one","Acta Crystallographica Section E","2011","67","4","o906","","10.1107/S1600536811009561","","","0.71073","MoKα","","0.0583","0.0466","","","0.1168","0.1279","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229664","11.3934","0.0013","9.6588","0.0011","25.018","0.003","90","","93.466","0.002","90","","2748.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3β-Acetoxy-6-hydroxyiminocholestane","(3S,8S,9S,10R,13R,14S,17R)- 17-[(1R)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H- cyclopenta[a]phenanthren-3-yl acetate","","- C29 H49 N O3 -","- C29 H49 N O3 -","- C116 H196 N4 O12 -","4","2","HB5806","Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3β-Acetoxy-6-hydroxyiminocholestane","Acta Crystallographica Section E","2011","67","4","o773","o774","10.1107/S1600536811007306","","","0.71073","MoKα","","0.092","0.05","","","0.096","0.114","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229682","12.0755","0.0002","9.0033","0.0002","13.9112","0.0002","90","","108.667","0.001","90","","1432.86","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Chloro-3-cyclohexylsulfinyl-2-methyl-1-benzofuran","","- C15 H17 Cl O2 S -","- C15 H17 Cl O2 S -","- C60 H68 Cl4 O8 S4 -","4","2","HG5004","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Chloro-3-cyclohexylsulfinyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o804","","10.1107/S1600536811007859","","","0.71073","MoKα","","0.0365","0.0333","","","0.0818","0.0843","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229754","7.4255","0.0004","7.6613","0.0004","16.151","0.0009","90","","98.16","0.005","90","","909.51","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-picryl(phenylazo)aniline","2,4,6-Trinitro-N-[4-(phenyldiazenyl)phenyl]aniline","","- C18 H12 N6 O6 -","- C18 H12 N6 O6 -","- C36 H24 N12 O12 -","2","1","LH5220","Smith, Graham; Wermuth, Urs D.","2,4,6-Trinitro-N-[4-(phenyldiazenyl)phenyl]aniline","Acta Crystallographica Section E","2011","67","4","o948","","10.1107/S160053681101004X","","","0.71073","MoKα","","0.0824","0.0371","","","0.0516","0.0576","","","","","","0.861","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229755","7.2342","0.0002","6.3815","0.0002","9.9419","0.0004","90","","92.216","0.002","90","","458.63","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-rhododendrol","(2S)-4-(4-hydroxyphenyl)butan-2-ol","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","LH5221","Yousuf, S.; Musharraf, S. G.; Khan, I.; Samiullah; Fun, Hoong-Kun","Absolute configuration of (2S)-4-(4-hydroxyphenyl)butan-2-ol","Acta Crystallographica Section E","2011","67","4","o952","","10.1107/S1600536811010026","","","1.54178","CuKα","","0.0292","0.029","","","0.0748","0.075","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229760","7.9707","0.0016","31.874","0.006","10.863","0.002","90","","107.24","0.03","90","","2635.8","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-Chloro-N-{5-[(4R,5R,10S)-dehydroabietyl]-1,3,4- thiadiazol-2-yl}benzamide","2-Chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a- dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-1,3,4- thiadiazol-2-yl}benzamide","","- C28 H32 Cl N3 O S -","- C28 H32 Cl N3 O S -","- C112 H128 Cl4 N12 O4 S4 -","4","2","LX2187","Mo, Qijin; Duan, Wengui; Ma, Xianli; Huang, Jianxin; Ma, Zhen","2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide","Acta Crystallographica Section E","2011","67","4","o816","o817","10.1107/S1600536811007665","","","0.71073","MoKα","","0.0723","0.0451","","","0.0969","0.1047","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229838","10.7673","0.0007","7.2986","0.0005","11.5145","0.0008","90","","116.124","0.001","90","","812.44","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-Bis(4-fluorophenyl)-2-methylsulfanyl-1-benzofuran","","- C21 H14 F2 O S -","- C21 H14 F2 O S -","- C42 H28 F4 O2 S2 -","2","1","SJ5110","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,5-Bis(4-fluorophenyl)-2-methylsulfanyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o782","","10.1107/S1600536811007458","","","0.71073","MoKα","","0.0407","0.0379","","","0.0986","0.1006","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229859","12.1057","0.0007","17.5943","0.0008","16.7084","0.0008","90","","95.946","0.003","90","","3539.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris(tetrabutylammonium) tris(nitrato-κ^2^O,O')tetrakis(thiocyanato-κN)thorium(IV)","","- C52 H108 N10 O9 S4 Th -","- C52 H108 N10 O9 S4 Th -","- C104 H216 N20 O18 S8 Th2 -","2","1","TK2728","Lozano-Rodriguez, M. Janeth; Thuéry, Pierre; Petit, Sébastien; Copping, Roy; Mustre de Leon, Jose; Den Auwer, Christophe","Tris(tetrabutylammonium) tris(nitrato-κ^2^O,O')tetrakis(thiocyanato-κN)thorium(IV)","Acta Crystallographica Section E","2011","67","4","m487","","10.1107/S1600536811009792","","","0.71073","MoKα","","0.0526","0.0372","","","0.0832","0.089","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229867","11.722","0.003","5.137","0.001","12.488","0.003","90","","105.09","0.02","90","","726","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-N-(4-nitrobenzoyl)benzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C28 H24 N4 O10 S2 -","2","1","VM2084","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","4-Methyl-N-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o917","","10.1107/S1600536811009470","","","0.71073","MoKα","","0.0614","0.0506","","","0.1194","0.1275","","","","","","1.171","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229956","4.7089","0.0003","17.9073","0.0013","10.7965","0.0008","90","","98.047","0.002","90","","901.44","0.11","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat methanol monosolvate","[2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid methanol monosolvate","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C34 H40 N4 O8 S2 -","2","1","CV5075","Jiang, Qi-Ying; Qian, Jing-Jing; Gu, Jian-Ming; Tang, Gu-Ping; Hu, Xiu-Rong","Febuxostat methanol solvate","Acta Crystallographica Section E","2011","67","5","o1232","","10.1107/S1600536811014905","","","0.71073","MoKα","","0.065","0.0427","","","0.0711","0.0782","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229992","10.2247","0.0002","7.6353","0.0001","10.7292","0.0002","90","","97.992","0.001","90","","829.48","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Royleanone","(4bS,8aS)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","HB5812","Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok","Redetermined structure, intermolecular interactions and absolute configuration of royleanone","Acta Crystallographica Section E","2011","67","5","o1032","o1033","10.1107/S1600536811011457","","","1.54178","CuKα","","0.0363","0.0361","","","0.0976","0.0978","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230016","6.0775","0.0005","8.8106","0.0005","12.5794","0.0007","90","","99.904","0.007","90","","663.54","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4-Chloroanilino)-2,5-dimethylcyclohex-2-en-1-one","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C28 H32 Cl2 N2 O2 -","2","1","HG2794","North, Henry; Wutoh, Kwame; Odoom, M'egya K.; Karla, Pradeep; Scott, Kenneth R.; Butcher, Ray J.","3-(4-Chloroanilino)-2,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1283","o1284","10.1107/S1600536811005678","","","1.54178","CuKα","","0.0601","0.0537","","","0.1444","0.1496","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230023","9.493","0.003","12.459","0.005","21.28","0.008","90","","102.241","0.007","90","","2459.6","1.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-Benzyl-N-(2,6-diisopropylphenyl)-1,2,3,4- tetrahydroisoquinoline-3-carboxamide","","- C29 H34 N2 O -","- C29 H34 N2 O -","- C116 H136 N8 O4 -","4","2","HG5021","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(S)-2-Benzyl-N-(2,6-diisopropylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2011","67","5","o1106","","10.1107/S1600536811012554","","","0.71073","MoKα","","0.1397","0.0567","","","0.1158","0.1457","","","","","","0.976","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230044","7.0942","0.0002","11.7149","0.0004","10.1921","0.0003","90","","90.805","0.001","90","","846.96","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Fibaruretin B","2β,3α-dihydroxy-2,3,7,8α-tetrahydropenianthic acid lactone","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","IS2703","Fun, Hoong-Kun; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Khairuddean, Melati; Chantrapromma, Suchada","Absolute configuration of fibaruretin B","Acta Crystallographica Section E","2011","67","5","o1246","o1247","10.1107/S1600536811014887","","","1.54178","CuKα","","0.0254","0.0254","","","0.0656","0.0656","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230060","8.8866","0.0004","14.6386","0.0007","9.186","0.0004","90","","91.618","0.001","90","","1194.51","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(8S,9S,10R)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7- dimethoxy-17-methylmorphinan-6-one monohydrate","","- C26 H30 Cl N O5 -","- C26 H30 Cl N O5 -","- C52 H60 Cl2 N2 O10 -","2","1","KP2320","Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui","(8S,9S,10R)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate","Acta Crystallographica Section E","2011","67","5","o1190","","10.1107/S1600536811013973","","","0.71073","MoKα","","0.0322","0.0299","","","0.0796","0.082","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230063","8.0761","0.0008","7.7874","0.0008","11.776","0.0011","90","","95.033","0.007","90","","737.76","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-N-Benzylidene-1-(1-naphthyl)ethylamine","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","LD2008","Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René","(S)-(+)-N-Benzylidene-1-(1-naphthyl)ethylamine","Acta Crystallographica Section E","2011","67","5","o1257","","10.1107/S1600536811012980","","","0.71073","MoKα","","0.0475","0.0343","","","0.086","0.0941","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230123","12.3268","0.0006","11.0271","0.0006","13.1142","0.0007","90","","106.933","0.001","90","","1705.32","0.15","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2E,25E)-11,14,17,33,36,39,42- Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta- 1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione","","- C40 H40 O9 -","- C40 H40 O9 -","- C80 H80 O18 -","2","1","RK2273","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N.","(2E,25E)-11,14,17,33,36,39,42-Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione","Acta Crystallographica Section E","2011","67","5","o1128","o1129","10.1107/S1600536811013201","","","0.71073","MoKα","","0.0601","0.0508","","","0.12","0.1278","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230128","11.3875","0.0005","11.4582","0.0005","13.4885","0.0006","90","","109.752","0.001","90","","1656.43","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1H,1'H-4,4'-bipyrazole-5,5'(4H,4'H)-dione","","- C38 H36 F2 N4 O4 -","- C38 H36 F2 N4 O4 -","- C76 H72 F4 N8 O8 -","2","1","RZ2574","Fun, Hoong-Kun; Hemamalini, Madhukar; Venkat Ragavan, R.; Vijayakumar, V.; Venkatesh, M.","1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1H,1'H-4,4'-bipyrazole-5,5'(4H,4'H)-dione","Acta Crystallographica Section E","2011","67","5","o1036","","10.1107/S1600536811011664","","","0.71073","MoKα","","0.0393","0.036","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230151","6.7605","0.0008","7.2626","0.0011","28.461","0.002","90","","96.083","0.001","90","","1389.5","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(22E,24R)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate","","- C28 H46 O5 -","- C28 H46 O5 -","- C56 H92 O10 -","2","1","SU2267","Xu, Zhi-Hong; Peng, Xiao-Ping; Wang, Yi; Zhu, Wei-Ming","(22E,24R)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate","Acta Crystallographica Section E","2011","67","5","o1141","o1142","10.1107/S160053681101347X","","","0.71073","MoKα","","0.0894","0.0512","","","0.0992","0.1077","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230152","8.4292","0.0002","11.9399","0.0003","18.1716","0.0004","90","","98.685","0.003","90","","1807.89","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diaquabis(N,N-diethylnicotinamide-κN^1^)bis(4- ethylbenzoato-κO)cobalt(II)","","- C38 H50 Co N4 O8 -","- C38 H50 Co N4 O8 -","- C76 H100 Co2 N8 O16 -","2","1","SU2268","Necefoğlu, Hacali; Maracı, Ali; Özbek, Füreya Elif; Tercan, Barış; Hökelek, Tuncer","Diaquabis(N,N-diethylnicotinamide-κN^1^)bis(4-ethylbenzoato-κO)cobalt(II)","Acta Crystallographica Section E","2011","67","5","m619","m620","10.1107/S1600536811014188","","","0.71073","MoKα","","0.0622","0.0444","","","0.0888","0.0946","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230166","8.6495","0.0006","17.9486","0.0012","9.113","0.0006","90","","110.603","0.001","90","","1324.27","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1H-imidazolido- κN}bis(N,N-diethylamido)titanium(IV)","","- C29 H36 N4 Ti -","- C29 H36 N4 Ti -","- C58 H72 N8 Ti2 -","2","1","WM2469","Cai, Xianfeng; Xu, Yingying; Nie, Wanli; Borzov, Maxim V.","{2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1H-imidazolido-κN}bis(N,N-diethylamido)titanium(IV)","Acta Crystallographica Section E","2011","67","5","m549","m550","10.1107/S1600536811012396","","","0.71073","MoKα","","0.056","0.0399","","","0.0956","0.1018","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230179","5.8847","0.0004","17.196","0.003","9.7075","0.0009","90","","95.184","0.001","90","","978.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate","","- C19 H31 O2 P -","- C19 H31 O2 P -","- C38 H62 O4 P2 -","2","1","XU5176","Liu, Li-Juan; Xu, Hao; Meng, Fan-Jie; Wang, Da-Qi; Zhao, Chang-Qiu","(R~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate","Acta Crystallographica Section E","2011","67","5","o1186","","10.1107/S1600536811013390","","","0.71073","MoKα","","0.0782","0.0465","","","0.068","0.073","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230222","14.547","0.003","12.247","0.002","19.035","0.004","90","","112.46","0.03","90","","3134","1.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-N-Methyl-4-[(S)2,6,6-trimethyl- 4-oxocyclohex-2-enyl]but-3-en-2-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C112 H192 Cl8 N8 O8 -","8","4","BH2347","Chang, Liu-Shuan; Duan, Hong-Quan","(S,E)-N-Methyl-4-[(S)2,6,6-trimethyl-4-oxocyclohex-2-enyl]but-3-en-2-aminium chloride","Acta Crystallographica Section E","2011","67","6","o1289","","10.1107/S1600536811015297","","","0.71073","MoKα","","0.0612","0.0472","","","0.0854","0.0916","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230264","10.9869","0.0005","7.0054","0.0003","12.1883","0.0006","90","","105.726","0.002","90","","902.99","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4-Chlorophenyl)-1-[(2R,4aR,8aR)-4a,8-dimethyl- 1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]prop-2-en-1-one","","- C21 H25 Cl O -","- C21 H25 Cl O -","- C42 H50 Cl2 O2 -","2","1","CI5186","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","3-(4-Chlorophenyl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1358","","10.1107/S1600536811016886","","","0.71073","MoKα","","0.0523","0.0387","","","0.0975","0.1056","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230269","7.1577","0.0002","10.3456","0.0002","12.3663","0.0003","90","","95.557","0.001","90","","911.43","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)- 3-(4-methylphenyl)prop-2-en-1-one","","- C22 H28 O -","- C22 H28 O -","- C44 H56 O2 -","2","1","CV5077","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1381","","10.1107/S1600536811016941","","","0.71073","MoKα","","0.0424","0.039","","","0.0975","0.1022","","","","","","1.109","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230271","12.472","0.002","9.2853","0.0017","12.505","0.002","90","","115.305","0.002","90","","1309.2","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-{(1R,2R)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}isoindoline- 1,3-dione","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C60 H64 N4 O4 -","2","1","CV5079","Li, Chao; Fu, Xiang-Kai; Wu, Chuan-Long; Huang, Jing","2-{(1R,2R)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","6","o1483","","10.1107/S1600536811018101","","","0.71073","MoKα","","0.0626","0.0471","","","0.1041","0.1117","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230281","10.188","0.002","11.53","0.003","11.691","0.003","90","","96.192","0.004","90","","1365.3","0.6","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-{[4-(Dimethylamino)benzyl]amino}-5-(3,4,5-trimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol- 6(8H)-one","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C62 H68 N4 O14 -","2","1","CV5091","Li, Yan; Wang, Huo; Chen, Hong; Chen, Li-Ting; Liu, Jing","9-{[4-(Dimethylamino)benzyl]amino}-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one","Acta Crystallographica Section E","2011","67","6","o1538","o1539","10.1107/S1600536811019234","","","0.71073","MoKα","","0.035","0.0278","","","0.0592","0.0605","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230327","9.7797","0.0007","5.4646","0.0004","20.6959","0.0015","90","","96.986","0.001","90","","1097.82","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","TIQester","(1S,3S)-Methyl 2-benzyl-6,7-dimethoxy- 1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C52 H54 N2 O8 -","2","1","GW2101","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E. M.","(1S,3S)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1403","","10.1107/S1600536811017430","","","0.71073","MoKα","","0.0358","0.0314","","","0.0832","0.0866","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230346","8.5313","0.0017","6.5413","0.0013","16.167","0.003","90","","97.37","0.03","90","","894.8","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)- 5-hydroxy-6-methoxypyrimidine-4-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C36 H42 N6 O12 -","2","1","HG5023","Shang, Zhenhua; Qi, Shan; Tao, Xiao; Zhang, Guangbo","Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-6-methoxypyrimidine-4-carboxylate","Acta Crystallographica Section E","2011","67","6","o1335","","10.1107/S160053681101628X","","","0.71073","MoKα","","0.0513","0.0393","","","0.0828","0.0883","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230380","9.3841","0.0003","6.3453","0.0002","14.2048","0.0004","90","","94.475","0.002","90","","843.25","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,3S)-Methyl 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","IS2714","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(1S,3S)-Methyl 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1501","","10.1107/S1600536811018782","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.082","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230436","7.5725","0.0004","27.7907","0.0013","8.762","0.0006","90","","99.884","0.005","90","","1816.55","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(tetraethylammonium) bis(hydrogen L-tartrate) L-tartaric acid monohydrate","","- C28 H58 N2 O19 -","- C28 H58 N2 O19 -","- C56 H116 N4 O38 -","2","1","NR2003","Rajalakshmi, M.; Indirajith, R.; Gopalakrishnan, R.; Ramamurthi, K.; Stoeckli-Evans, Helen","Bis(tetraethylammonium) bis(hydrogen L-tartrate) L-tartaric acid monohydrate","Acta Crystallographica Section E","2011","67","6","o1315","o1316","10.1107/S1600536811015479","","","0.71073","MoKα","","0.0395","0.0321","","","0.062","0.0639","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230465","10.6938","0.0002","19.4062","0.0003","11.1763","0.0002","90","","93.663","0.001","90","","2314.63","0.07","100","1","100","1","","","","","","","","2","P 1 21 1","P 2yb","4","","Cholest-5-ene","","- C27 H46 -","- C27 H46 -","- C108 H184 -","4","2","RZ2593","Khan, Mohd Shaheen; Sulaiman, Othman; Hashim, Rokiah; Hemamalini, Madhukar; Fun, Hoong-Kun","Cholest-5-ene","Acta Crystallographica Section E","2011","67","6","o1368","","10.1107/S1600536811016783","","","0.71073","MoKα","","0.0671","0.0538","","","0.1175","0.1244","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230475","19.5847","0.0003","10.2404","0.0002","26.6224","0.0004","90","","110.284","0.0008","90","","5008.16","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","catena-Poly[[tribenzyltin(IV)]-μ-(E)-3-phenylprop-2- enoato-κ^2^O:O']","","- C30 H28 O2 Sn -","- C30 H28 O2 Sn -","- C240 H224 O16 Sn8 -","8","4","SI2355","Lo, Kong Mun; Ng, Seik Weng","catena-Poly[[tribenzyltin(IV)]-μ-(E)-3-phenylprop-2-enoato-κ^2^O:O']","Acta Crystallographica Section E","2011","67","6","m744","m745","10.1107/S1600536811017247","","","0.71073","MoKα","","0.0551","0.0424","","","0.0809","0.087","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230495","8.3607","0.0002","12.4053","0.0004","17.8932","0.0006","90","","98.132","0.003","90","","1837.17","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diaquabis(N,N'-diethylnicotinamide-κN^1^)bis(4- ethylbenzoato-κO)copper(II)","","- C38 H50 Cu N4 O8 -","- C38 H50 Cu N4 O8 -","- C76 H100 Cu2 N8 O16 -","2","1","SU2274","Necefoğlu, Hacali; Maracı, Ali; Aktaş, Vedat; Tercan, Barış; Hökelek, Tuncer","Diaquabis(N,N'-diethylnicotinamide-κN^1^)bis(4-ethylbenzoato-κO)copper(II)","Acta Crystallographica Section E","2011","67","6","m780","m781","10.1107/S1600536811018666","","","0.71073","MoKα","","0.0807","0.0561","","","0.1175","0.1304","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230497","11.1067","0.0008","11.9406","0.0009","14.693","0.0011","90","","106.315","0.002","90","","1870.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","12-Anilinomethyl-9α-hydroxy-4,8-dimethyl-3,14- dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","2","TK2738","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","12-Anilinomethyl-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2011","67","6","o1388","o1389","10.1107/S1600536811015303","","","0.71073","MoKα","","0.0494","0.0438","","","0.1209","0.1309","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230532","9.233","0.0003","7.211","0.0002","14.7678","0.0004","90","","99.313","0.003","90","","970.27","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Rauniticine-allo-oxindole B methanol monosolvate","2-oxo-1,2,2',3',5',5'a,6',9'a,10',10'a-decahydrospiro[indole-3,1'- pyrano[3,4-f]indolizine]-9'-carboxylic acid methanol monosolvate","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C42 H52 N4 O10 -","2","1","XU5205","Salim, Fatimah; Ahmad, Rohaya; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng","Rauniticine-allo-oxindole B methanol monosolvate","Acta Crystallographica Section E","2011","67","6","o1345","","10.1107/S1600536811016710","","","0.71073","MoKα","","0.0435","0.0374","","","0.0882","0.0927","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230550","8.1768","0.0016","9.0613","0.0018","15.591","0.003","90","","94.56","0.03","90","","1151.5","0.4","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-6-deoxy-3,6-iminomethylene-1,2,3,5-O-tetraacetyl- α-D-1(S)-epiallofuranose","","- C22 H27 N O9 -","- C22 H27 N O9 -","- C44 H54 N2 O18 -","2","1","ZK2010","Zhang, Qiurong; Wu, Chunli; Li, Pengyun; Cheng, Weiyan; Liu, Hongmin","N-Benzyl-6-deoxy-3,6-iminomethylene-1,2,3,5-O-tetraacetyl-α-D-1(S)-epiallofuranose","Acta Crystallographica Section E","2011","67","6","o1545","","10.1107/S1600536811019702","","","0.71073","MoKα","","0.052","0.0426","","","0.1024","0.1068","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230602","8.613","0.0009","5.9961","0.0004","13.1284","0.0012","90","","97.935","0.019","90","","671.52","0.11","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate","","- C13 H14 O3 S2 -","- C13 H14 O3 S2 -","- C26 H28 O6 S4 -","2","1","CV5113","Liang, Yan-Shu; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke","2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","7","o1787","","10.1107/S1600536811023907","","","0.71073","MoKα","","0.0419","0.0349","","","0.0859","0.0877","","","","","","0.827","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230645","6.5722","0.0003","8.4802","0.0004","10.8022","0.0005","90","","104.435","0.004","90","","583.04","0.05","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R)-5-[(1R)-2,2-Dichloro-1-methylcyclopropyl]-2-methylcyclohex- 2-en-1-one","","- C11 H14 Cl2 O -","- C11 H14 Cl2 O -","- C22 H28 Cl4 O2 -","2","1","GK2382","Boualy, Brahim; Harrad, Mohamed Anoir; El Firdoussi, Larbi; Ali, Mustapha Ait; Rizzoli, Corrado","(5R)-5-[(1R)-2,2-Dichloro-1-methylcyclopropyl]-2-methylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1638","","10.1107/S1600536811021933","","","1.54178","CuKα","","0.0469","0.0463","","","0.1259","0.1264","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230662","3.893","0.002","7.312","0.004","14.137","0.008","90","","93.416","0.013","90","","401.7","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydrazinyl-4-methyl-1,3-benzothiazole","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C16 H18 N6 S2 -","2","1","HB5894","Liu, Xu-Feng; Yu, Xiao-Yong; Jiang, Shao-Liang","2-Hydrazinyl-4-methyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","7","o1641","","10.1107/S1600536811020149","","","0.71073","MoKα","","0.0321","0.0281","","","0.0563","0.0568","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230671","6.7514","0.0002","23.7537","0.0008","8.073","0.0003","90","","90","0.001","90","","1294.67","0.08","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Micromelin","7-Methoxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6- dioxabicyclo[3.1.0]hexan-2-yl]-2H-chromen-2-one","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","2","HB5904","Fun, Hoong-Kun; Siridechakorn, Ittipon; Laphookhieo, Surat; Chantrapromma, Suchada","Absolute configuration of micromelin","Acta Crystallographica Section E","2011","67","7","o1706","o1707","10.1107/S1600536811022720","","","1.54178","CuKα","","0.022","0.022","","","0.0591","0.0591","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230685","5.0338","0.0005","31.357","0.003","5.5882","0.0006","90","","97.89","0.003","90","","873.72","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl N-(2-hydroxy-1-{N'-[(1E)-2- hydroxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C18 H19 N3 O5 -","- C18 H19 N3 O5 -","- C36 H38 N6 O10 -","2","1","HB5935","Tiekink, Edward R. T.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Wardell, Solange M. S. V.; Wardell, James L.","Benzyl N-(2-hydroxy-1-{N'-[(1E)-2-hydroxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","Acta Crystallographica Section E","2011","67","7","o1866","o1867","10.1107/S1600536811025128","","","0.71073","MoKα","","0.0857","0.0529","","","0.0863","0.0979","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230691","12.737","0.003","10.351","0.002","12.921","0.003","90","","117.897","0.005","90","","1505.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[aquabis(4,4'-bipyridine-κN)zinc -μ-L-tyrosinato-κ^3^N,O^1^:O^1'^] nitrate dihydrate]","","- C29 H32 N6 O9 Zn -","- C29 H32 N6 O9 Zn -","- C58 H64 N12 O18 Zn2 -","2","1","HG5047","Li, Shu-Qiang; Hu, Ning-Hai","catena-Poly[[[aquabis(4,4'-bipyridine-κN)zinc]-μ-L-tyrosinato-κ^3^N,O^1^:O^1'^] nitrate dihydrate]","Acta Crystallographica Section E","2011","67","7","m884","m885","10.1107/S1600536811021088","","","0.71073","MoKα","","0.0928","0.056","","","0.0775","0.0912","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230830","6.9972","0.0012","14.506","0.003","10.2828","0.0017","90","","98.413","0.004","90","","1032.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Diazido{(S)-1-phenyl-N,N-bis[(2- pyridyl)methyl]ethanamine}copper(II)","","- C20 H21 Cu N9 -","- C20 H21 Cu N9 -","- C40 H42 Cu2 N18 -","2","1","PK2326","Rowthu, Sankara Rao; Shin, Jong Won; Kim, Seung-Hui; Kim, Jong Jin; Min, Kil Sik","Diazido{(S)-1-phenyl-N,N-bis[(2-pyridyl)methyl]ethanamine}copper(II)","Acta Crystallographica Section E","2011","67","7","m873","m874","10.1107/S1600536811021234","","","0.71073","MoKα","","0.1135","0.0584","","","0.0819","0.1152","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230831","11.8328","0.0011","6.0084","0.0004","15.2205","0.0015","90","","96.705","0.004","90","","1074.72","0.16","150","1","150","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2S,4R)-7-tert-Butoxybicyclo[2.2.1]hept-5-en-2-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate","","- C25 H30 O4 -","- C25 H30 O4 -","- C50 H60 O8 -","2","1","PK2333","Lough, Alan J.; Petrone, David A.; Tam, William","(1S,2S,4R)-7-tert-Butoxybicyclo[2.2.1]hept-5-en-2-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate","Acta Crystallographica Section E","2011","67","7","o1848","","10.1107/S1600536811024238","","","0.71073","MoKα","","0.071","0.0478","","","0.1098","0.1223","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230849","17.1061","0.0011","5.3062","0.0004","24.0376","0.0016","90","","101.502","0.001","90","","2138","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Bromophenyl)-2-oxoethyl 4-chlorobenzoate","","- C15 H10 Br Cl O3 -","- C15 H10 Br Cl O3 -","- C90 H60 Br6 Cl6 O18 -","6","3","RZ2606","Fun, Hoong-Kun; Yeap, Chin Sing; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-chlorobenzoate","Acta Crystallographica Section E","2011","67","7","o1723","","10.1107/S1600536811022963","","","0.71073","MoKα","","0.0757","0.0449","","","0.1264","0.1416","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230875","6.4151","0.0002","7.901","0.0002","10.1888","0.0003","90","","106.607","0.001","90","","494.89","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Methyl-2-phenyl-4,5-dihydropyridazin-3(2H)-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C22 H24 N4 O2 -","2","1","SU2275","Sekkak, Hanan; Rakib, El Mostapha; Zouihri, Hafid","6-Methyl-2-phenyl-4,5-dihydropyridazin-3(2H)-one","Acta Crystallographica Section E","2011","67","7","o1709","","10.1107/S1600536811021970","","","0.71073","MoKα","","0.0344","0.0322","","","0.092","0.0943","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230884","9.3721","0.0019","13.036","0.003","13.132","0.003","90","","109.47","0.03","90","","1512.7","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Acetamidobenzenesulfonamido)benzoic acid","","- C15 H14 N2 O5 S -","- C15 H14 N2 O5 S -","- C60 H56 N8 O20 S4 -","4","2","TK2747","Sharif, Shahzad; Khan, Islam Ullah; Mahmood, Tariq; Kang, Sung Kwon","2-(4-Acetamidobenzenesulfonamido)benzoic acid","Acta Crystallographica Section E","2011","67","7","o1570","","10.1107/S1600536811020307","","","0.71073","MoKα","","0.111","0.0452","","","","0.0922","","","","","","0.82","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230929","7.0066","0.0002","11.616","0.0004","9.1568","0.0002","90","","108.157","0.001","90","","708.15","0.04","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclopenol","3'-(3-Hydroxyphenyl)-4-methylspiro[benzo[e][1,4]diazepine-3,2'- oxirane]-2,5(1H,4H)-dione","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","XU5236","Liu, Jun-Liang; Hu, Zhi-Yu; Xu, Qing-Yan","3'-(3-Hydroxyphenyl)-4-methylspiro[benzo[e][1,4]diazepine-3,2'-oxirane]-2,5(1H,4H)-dione","Acta Crystallographica Section E","2011","67","7","o1670","","10.1107/S1600536811022161","","","0.71073","MoKα","","0.0347","0.033","","","0.1003","0.1066","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230935","8.835","0.0003","6.7002","0.0002","14.7347","0.0004","90","","103.117","0.003","90","","849.48","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","angustoline monohydrate","1-(1-Hydroxyethyl)-7,8-dihydroindolo[2,3-a]pyridine[3,4- g]quinolizin-5(13H)-one monohydrate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","XU5242","Liew, Sook Yee; Mukhtar, Mat Ropi; Awang, Khalijah; Mustafa, Mohd Rais; Ng, Seik Weng","1-(1-Hydroxyethyl)-7,8-dihydroindolo[2,3-a]pyridine[3,4-g]quinolizin-5(13H)-one (angustoline) monohydrate from Nauclea subdita (Rubiaceae)","Acta Crystallographica Section E","2011","67","7","o1727","o1728","10.1107/S1600536811022768","","","1.54184","CuKα","","0.0401","0.0359","","","0.0952","0.0981","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230942","8.155","0.0004","13.5093","0.0007","16.0248","0.0009","90","","103.899","0.005","90","","1713.74","0.16","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-Ethyl-N-(3-nitrobenzylidene)-9H-carbazol-3-amine","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","2","YA2140","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","9-Ethyl-N-(3-nitrobenzylidene)-9H-carbazol-3-amine","Acta Crystallographica Section E","2011","67","7","o1799","","10.1107/S1600536811023890","","","1.54184","CuKα","","0.106","0.08","","","0.215","0.246","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230959","11.7539","0.0003","6.8304","0.0002","11.8585","0.0003","90","","101.328","0.002","90","","933.5","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]- 2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan- 9(1aH)-one","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","ZL2378","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed","(Z)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one","Acta Crystallographica Section E","2011","67","7","o1698","o1699","10.1107/S1600536811022616","","","0.71073","MoKα","","0.0349","0.0327","","","0.0913","0.0947","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230960","5.6584","0.001","7.961","0.0012","19.808","0.004","90","","91.968","0.006","90","","891.8","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,6-Anhydro-1,3-di-O-benzyl-D-mannitol","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","ZL2379","de Siqueira, Edmilson Clarindo; Doboszewski, Bogdan; McGarrah, James; Nazarenko, Alexander Y.","2,6-Anhydro-1,3-di-O-benzyl-D-mannitol","Acta Crystallographica Section E","2011","67","7","o1653","o1654","10.1107/S1600536811022306","","","0.71073","MoKα","","0.0418","0.0348","","","0.0787","0.0815","","","","","","0.985","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230967","7.052","0.008","17.862","0.016","9.715","0.008","90","","111.158","0.009","90","","1141.2","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate","","- C9 H11 N7 O2 -","- C9 H11 N7 O2 -","- C36 H44 N28 O8 -","4","2","ZS2114","Liu, Shang Yuan; Wang, Ying","2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate","Acta Crystallographica Section E","2011","67","7","o1631","","10.1107/S1600536811022215","","","0.71073","MoKα","","0.0455","0.0355","","","0.0884","0.0935","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230997","8.9076","0.0018","6.6025","0.0013","11.778","0.002","90","","102.85","0.03","90","","675.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cyclohexylammonium 4-methoxybenzoate","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C28 H42 N2 O6 -","2","1","BH2364","Wei, Bin","Cyclohexylammonium 4-methoxybenzoate","Acta Crystallographica Section E","2011","67","8","o2185","","10.1107/S1600536811027127","","","0.71073","MoKα","","0.0493","0.0406","","","0.0915","0.0952","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231069","3.8034","0.0001","6.8144","0.0002","11.1807","0.0004","90","","95.102","0.001","90","","288.632","0.015","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxypyridinium-2-carboxylate","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","1","EZ2254","Betz, Richard; Gerber, Thomas","3-Hydroxypyridinium-2-carboxylate","Acta Crystallographica Section E","2011","67","8","o2039","","10.1107/S1600536811027462","","","0.71073","MoKα","","0.0306","0.0303","","","0.083","0.0834","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231080","11.0117","0.0007","5.4299","0.0002","11.7454","0.0007","90","","117.574","0.008","90","","622.52","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Phenylnaphtho[1,8-de][1,3,2]diazaborinane","","- C16 H13 B N2 -","- C16 H13 B N2 -","- C32 H26 B2 N4 -","2","1","FJ2411","Slabber, Cathryn A.; Grimmer, Craig; Akerman, Matthew P.; Robinson, Ross S.","2-Phenylnaphtho[1,8-de][1,3,2]diazaborinane","Acta Crystallographica Section E","2011","67","8","o1995","","10.1107/S1600536811026985","","","0.71073","MoKα","","0.0524","0.0392","","0.1205","0.1133","0.1205","","","","","","0.9047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231081","5.8272","0.0005","7.8358","0.0006","11.0387","0.001","90","","102.117","0.007","90","","492.81","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Methyl 6-azido-6-deoxy-α-D-galactoside","","","- C7 H13 N3 O5 -","- C7 H13 N3 O5 -","- C14 H26 N6 O10 -","2","1","FJ2434","Cheng, Janice M. H.; Gulab, Shivali A.; Timmer, Mattie S. M.; Stocker, Bridget L.; Gainsford, Graeme J.","Methyl 6-azido-6-deoxy-α-D-galactoside","Acta Crystallographica Section E","2011","67","8","o1941","o1942","10.1107/S1600536811025323","","","1.54178","CuKα","","0.0498","0.0474","","","0.1212","0.1254","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231082","4.6371","0.0003","19.2731","0.001","5.8593","0.0003","90","","102.498","0.002","90","","511.24","0.05","296","2","296","2","101","","","","","","","4","P 1 21 1","P 2yb","4","","5-(Pyridin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin- 4(5H)-one","","- C11 H9 N5 O -","- C11 H9 N5 O -","- C22 H18 N10 O2 -","2","1","FJ2436","Alsubari, Abdulsalam; Ramli, Youssef; Essassi, El Mokhtar; Zouihri, Hafid","5-(Pyridin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one","Acta Crystallographica Section E","2011","67","8","o1926","","10.1107/S1600536811025025","","","0.71073","MoKα","","0.0471","0.0355","","","0.0792","0.0845","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231083","9.0378","0.0006","11.3939","0.0008","9.539","0.0006","90","","106.133","0.003","90","","943.6","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-tert-butyl-2-methylpropanamide","","- C8 H17 N O -","- C8 H17 N O -","- C32 H68 N4 O4 -","4","2","FJ2438","Kluge, Kelly A.; Fridyland, Diana; MacBeth, Cora E.; Hardcastle, Kenneth I.","N-tert-Butyl-2-methylpropanamide","Acta Crystallographica Section E","2011","67","8","o2143","","10.1107/S1600536811028947","","","1.54178","CuKα","","0.0356","0.0352","","","0.1051","0.1056","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231105","9.414","0.005","9.664","0.005","12.644","0.004","90","","94.245","0.005","90","","1147.2","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-Bis(diphenylphosphanyl)cyclobutanamine","","- C28 H27 N P2 -","- C28 H27 N P2 -","- C56 H54 N2 P4 -","2","1","GO2019","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","N,N-Bis(diphenylphosphanyl)cyclobutanamine","Acta Crystallographica Section E","2011","67","8","o2041","o2042","10.1107/S1600536811027656","","","0.71073","MoKα","","0.0254","0.0239","","","","0.0637","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231108","7.7422","0.0013","11.0505","0.0015","8.2318","0.0013","90","","103.697","0.007","90","","684.24","0.18","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-(+)-2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfinyl}- 1H-benzimidazole","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C28 H24 N8 O6 S2 -","2","1","GW2104","Naga Raju, Manne; Uday Kumar, Neelam; Kolla, Naveenkumar; Bandichhor, Rakeshwar; Vishweshwar, Peddy","(R)-(+)-2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole","Acta Crystallographica Section E","2011","67","8","o2190","","10.1107/S1600536811029990","","","0.7107","MoKα","","","0.0367","","","","0.0375","","","","","","1.254","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231111","10.1796","0.0007","10.5648","0.0007","12.3632","0.0008","90","","110.613","0.001","90","","1244.48","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-2-(4-tert-Butylphenyl)-1-(4-chloro-1-ethyl-3-methyl- 1H-pyrazol-5-yl)-2-cyanovinyl pivalate","","- C24 H30 Cl N3 O2 -","- C24 H30 Cl N3 O2 -","- C48 H60 Cl2 N6 O4 -","2","1","HB5916","Wang, Bao; Yu, Haibo; Li, Bin","(Z)-2-(4-tert-Butylphenyl)-1-(4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-yl)-2-cyanovinyl pivalate","Acta Crystallographica Section E","2011","67","8","o2027","","10.1107/S1600536811027255","","","0.71073","MoKα","","0.0472","0.0388","","","0.0934","0.1004","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231117","3.9852","0.0002","9.1078","0.0005","12.1409","0.0007","90","","95.238","0.003","90","","438.83","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-amino-5-bromobenzoate","","- C8 H8 Br N O2 -","- C8 H8 Br N O2 -","- C16 H16 Br2 N2 O4 -","2","1","HB5930","Khan, Islam Ullah; Khan, Muneeb Hayat; Akkurt, Mehmet","Methyl 2-amino-5-bromobenzoate","Acta Crystallographica Section E","2011","67","8","o1887","","10.1107/S1600536811025165","","","0.71073","MoKα","","0.0297","0.0226","","","0.0439","0.0454","","","","","","0.943","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231179","5.1687","0.0003","28.5511","0.0013","7.8006","0.0004","90","","98.152","0.005","90","","1139.52","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-Diphenylacetamide","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","2","JH2307","Jasinski, Jerry P.; Golen, James A.; Siddegowda, M. S.; Yathirajan, H. S.; Swamy, M. T.","2,2-Diphenylacetamide","Acta Crystallographica Section E","2011","67","8","o1992","o1993","10.1107/S1600536811026717","","","1.54178","CuKα","","0.0383","0.037","","","0.1051","0.1069","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231226","5.348","0.0004","18.111","0.0014","14.823","0.0011","90","","91.162","0.002","90","","1435.43","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,5-Anhydro-2-deoxy-1,2-C-dichloromethylene-3,4,6-tri-O-\ (4-methoxybenzyl)-D-glycero-D-gulo-hexitol","","- C31 H34 Cl2 O7 -","- C31 H34 Cl2 O7 -","- C62 H68 Cl4 O14 -","2","1","MW2012","Kinfe, Henok H.; Moshapo, Paseka T.; Muller, Alfred","1,5-Anhydro-2-deoxy-1,2-C-dichloromethylene-3,4,6-tri-O-(4-methoxybenzyl)-D-glycero-D-gulo-hexitol","Acta Crystallographica Section E","2011","67","8","o2012","o2013","10.1107/S1600536811026870","","","0.71073","MoKα","","0.0236","0.0233","","","","0.0622","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231243","4.7165","0.0002","10.2815","0.0004","13.5711","0.0006","90","","96.555","0.004","90","","653.8","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Chlorophenyl)naphtho[1,8-de][1,3,2]diazaborinane","","- C16 H12 B Cl N2 -","- C16 H12 B Cl N2 -","- C32 H24 B2 Cl2 N4 -","2","1","OM2441","Akerman, Matthew P.; Robinson, Ross S.; Slabber, Cathryn A.","2-(4-Chlorophenyl)naphtho[1,8-de][1,3,2]diazaborinane","Acta Crystallographica Section E","2011","67","8","o1873","","10.1107/S1600536811025487","","","0.71073","MoKα","","0.0445","0.0386","","","0.0945","0.0977","","","","","","0.997","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2231245","6.649","0.002","18.712","0.006","9.349","0.003","90","","104.903","0.005","90","","1124","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol- 4-ylidene)(thiophen-2-yl)methyl]-amino}-3-phenylpropionate","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C50 H46 N6 O6 S2 -","2","1","OM2448","Zhu, Hualing; Zhao, Xinxin; Wang, Zhan; Ren, Junjie; Zhang, Miao","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)(thiophen-2-yl)methyl]amino}-3-phenylpropionate","Acta Crystallographica Section E","2011","67","8","o2200","","10.1107/S1600536811029904","","","0.71073","MoKα","","0.0408","0.0338","","","0.0617","0.0639","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231248","6.6954","0.0003","6.9447","0.0003","31.6168","0.0018","90","","90.095","0.007","90","","1470.1","0.12","180","2","179.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-(3a,8a-dimethyl-4-oxodecahydroazulen-6-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","OM2451","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","Methyl 2-(3a,8a-dimethyl-4-oxodecahydroazulen-6-yl)acrylate","Acta Crystallographica Section E","2011","67","8","o2187","o2188","10.1107/S1600536811029928","","","0.7107","MoKα","","0.0483","0.0419","","","0.1029","0.1097","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231249","9.003","0.0009","12.6382","0.0013","18.583","0.0002","90","","100.169","0.002","90","","2081.2","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2aR,2bR)-6-(1-Hydroxypropan-2-yl)-2a,2b-diphenyl-2a,2b,6,7- tetrahydro-5H-2,3,4a,6,7a-pentaazacyclopenta[cd]indene- 1,4(2H,3H)-dithione","(4R,11R)-9-(1-hydroxypropan-2-yl)-4,11-diphenyl-1,3,5,7,9- pentaazatricyclo[5.3.1.0^4,11^]undecane-2,6-dithione","","- C21 H23 N5 O S2 -","- C21 H23 N5 O S2 -","- C84 H92 N20 O4 S8 -","4","2","PK2329","Wang, Meng; Wang, Jungang; Xiang, Jiacheng","(4R,11R)-9-(1-hydroxypropan-2-yl)-4,11-diphenyl-1,3,5,7,9-pentaazatricyclo[5.3.1.0^4,11^]undecane-2,6-dithione","Acta Crystallographica Section E","2011","67","8","o2060","","10.1107/S160053681102736X","","","0.71073","MoKα","","0.0594","0.0549","","","0.1293","0.1332","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231258","7.5895","0.001","31.355","0.003","9.8912","0.0012","90","","93.056","0.006","90","","2350.4","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-3α-(1,3-Dioxoisoindolin-2-yl)-17(20)-pregnene","","- C29 H37 N O2 -","- C29 H37 N O2 -","- C116 H148 N4 O8 -","4","2","PV2421","Qi, Yue; Qin, Nan; Duan, Hong-Quan","(Z)-3α-(1,3-Dioxoisoindolin-2-yl)-17(20)-pregnene","Acta Crystallographica Section E","2011","67","8","o2065","","10.1107/S1600536811027632","","","0.71073","MoKα","","0.0435","0.0388","","","0.0914","0.0956","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231265","9.1077","0.0006","6.8328","0.0004","14.1765","0.0009","90","","96.807","0.003","90","","876","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3H-2λ^6^,1-benzothiazine-2,2-dione","","- C17 H16 Br N3 O2 S -","- C17 H16 Br N3 O2 S -","- C34 H32 Br2 N6 O4 S2 -","2","1","PV2429","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2011","67","8","o2092","","10.1107/S1600536811028406","","","0.71073","MoKα","","0.0616","0.0338","","","0.0695","0.0776","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231291","11.7374","0.0015","8.4087","0.0008","11.8848","0.0016","90","","102.693","0.005","90","","1144.3","0.2","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[(Furan-2-ylmethyl)amino]-5-(3,4,5-trimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol- 6(8H)-one","","- C27 H27 N O8 -","- C27 H27 N O8 -","- C54 H54 N2 O16 -","2","1","RZ2621","Luo, Gang; Chen, Hong; Zhou, Jing; Tian, Dan-Li; Zhang, Shi","9-[(Furan-2-ylmethyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one","Acta Crystallographica Section E","2011","67","8","o2087","","10.1107/S1600536811027735","","","0.71073","MoKα","","0.0355","0.0296","","","0.0661","0.0673","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231305","12.7999","0.0003","15.8414","0.0004","13.6869","0.0003","90","","102.461","0.001","90","","2709.89","0.11","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{N-methyl-N'-[1-(pyridin-2-yl)ethylidene]ethane- 1,2-diamine}zinc bis(perchlorate)","","- C20 H30 Cl2 N6 O8 Zn -","- C20 H30 Cl2 N6 O8 Zn -","- C80 H120 Cl8 N24 O32 Zn4 -","4","2","SJ5175","Wang, Chen-Yi","Bis{N-methyl-N'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine}zinc bis(perchlorate)","Acta Crystallographica Section E","2011","67","8","m1038","m1039","10.1107/S1600536811026079","","","0.71073","MoKα","","0.0757","0.0586","","","0.1539","0.1683","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231331","10.7364","0.0002","6.8925","0.0001","16.3901","0.0003","90","","101.87","0.001","90","","1186.94","0.04","296","2","296","2","101","","","","","","","4","P 1 21 1","P 2yb","4","","6-Nitro-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine- 5,11(10H,11aH)-dione","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","2","VM2102","Jebani, Abdessamad; Zouihri, Hafid; El Hakmaoui, Ahmed; Lazar, Saïd; Akssira, Mohamed","6-Nitro-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione","Acta Crystallographica Section E","2011","67","8","o2003","","10.1107/S1600536811024500","","","0.71073","MoKα","","0.0311","0.0298","","","0.0789","0.08","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231337","7.0569","0.0003","15.5302","0.0008","7.6947","0.0004","90","","95.415","0.004","90","","839.54","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","IB07","(2R)-3-(1H-indol-3-yl)-2-(4-nitro-1,3-dioxoisoindolin- 2-yl)propanoic acid","","- C19 H13 N3 O6 -","- C19 H13 N3 O6 -","- C38 H26 N6 O12 -","2","1","VM2109","Tilborg, Anaelle; Boittiaux, Irving; Norberg, Bernadette; Lambert, Didier; Wouters, Johan","4-Nitro-N-phthalyl-L-tryptophan","Acta Crystallographica Section E","2011","67","8","o2116","","10.1107/S1600536811029138","","","1.54184","CuKα","","0.0347","0.0307","","","0.0813","0.0906","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231354","6.1169","0.0007","7.4708","0.0008","18.2536","0.0018","90","","97.975","0.011","90","","826.09","0.15","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-Chlorophenyl)-N-[(E)-4-(dimethylamino)benzylidene]- 1,3-thiazol-2-amine","","- C18 H16 Cl N3 S -","- C18 H16 Cl N3 S -","- C36 H32 Cl2 N6 S2 -","2","1","XU5251","Vijaya, S.; Vasu; Gowda, K. V. Arjuna; Narasimhamurthy, T.; Rathore, R. S.","4-(4-Chlorophenyl)-N-[(E)-4-(dimethylamino)benzylidene]-1,3-thiazol-2-amine","Acta Crystallographica Section E","2011","67","8","o2115","","10.1107/S1600536811028078","","","0.71073","MoKα","","0.1542","0.0479","","","0.0492","0.0619","","","","","","0.777","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231363","11.0572","0.0003","7.657","0.0002","12.4613","0.0003","90","","105.063","0.003","90","","1018.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one","","- C10 H11 Cl N2 O -","- C10 H11 Cl N2 O -","- C40 H44 Cl4 N8 O4 -","4","2","XU5262","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng","1-Chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2011","67","8","o1964","","10.1107/S1600536811026419","","","1.54184","CuKα","","0.0475","0.0445","","","0.1212","0.1245","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231373","7.5882","0.0009","11.3506","0.0013","10.5462","0.0012","90","","102.258","0.002","90","","887.64","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Steroid","21-Hydroxypregna-1,4-diene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","ZB2014","Yousuf, S.; Bibi, M.; Choudhary, M. I.","21-Hydroxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section E","2011","67","8","o2122","","10.1107/S1600536811028674","","","0.71073","MoKα","","0.0476","0.0383","","","0.0975","0.1067","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231385","4.8366","0.0002","25.7449","0.0011","8.542","0.0004","90","","96.509","0.002","90","","1056.77","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydroxy-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1- c][1,4]benzodiazepine-5,11-dione","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","2","ZS2124","Ourahou, Sarah; Zouihri, Hafid; Massoui, Mohamed; Essassi, El Mokhtar; Ng, Seik Weng","2-Hydroxy-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E","2011","67","8","o1906","","10.1107/S1600536811025244","","","0.71073","MoKα","","0.0577","0.0438","","","0.1018","0.1101","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231412","5.937","0.003","13.407","0.003","11.573","0.003","90","","95.87","0.04","90","","916.4","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(3-chloro-4-methylphenyl)-1,2,3,5-dithiadiazol-3-yl","","- C8 H6 Cl N2 S2 -","- C8 H6 Cl N2 S2 -","- C32 H24 Cl4 N8 S8 -","4","2","BT5594","Cole, Jacqueline M.; Aherne, Christine M.; Howard, Judith A. K.; Banister, Arthur J.; Waddell, Paul G.","The 4-(3-chloro-4-methylphenyl)-1,2,3,5-dithiadiazol-3-yl radical","Acta Crystallographica Section E","2011","67","9","o2514","","10.1107/S1600536811034751","","","0.71073","MoKα","","0.1071","0.0416","","","","0.0982","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231418","8.9116","0.0003","6.7167","0.0003","20.6377","0.0008","90","","98.685","0.003","90","","1221.14","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Opipramolium fumarate","4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]- 1-(2-hydroxyethyl)piperazin-1-ium (2Z)-3-carboxyprop-2-enoate","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","BT5601","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Swamy, M. T.","Opipramolium fumarate","Acta Crystallographica Section E","2011","67","9","o2296","","10.1107/S160053681103159X","","","0.71073","MoKα","","0.0422","0.0378","","","0.0939","0.0965","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231434","9.1","0.0006","5.4032","0.0003","10.4515","0.0007","90","","108.139","0.007","90","","488.35","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-1H-pyrazole","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C20 H18 F6 N4 O2 -","2","1","BT5617","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","5-Hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-1H-pyrazole","Acta Crystallographica Section E","2011","67","9","o2442","","10.1107/S160053681103368X","","","0.71073","MoKα","","0.0474","0.0365","","","0.0808","0.0866","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231471","12.492","0.005","6.629","0.004","16.042","0.007","90","","96.74","0.03","90","","1319.2","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","10062a","(S)-(-)-1-Phenylethanaminium 4-(4,4-difluoro-1,3,5,7-tetramethyl-3a,4a-diaza-4-borata-s-indacen- 8-yl)benzoate","","- C28 H30 B F2 N3 O2 -","- C28 H30 B F2 N3 O2 -","- C56 H60 B2 F4 N6 O4 -","2","1","FL2344","Hinkle, Lindsay M.; Chitta, Raghu; Mann, Kent R.","(S)-({-})-1-Phenylethanaminium 4-(4,4-difluoro-1,3,5,7-tetramethyl-3a,4a-diaza-4-borata-s-indacen-8-yl)benzoate","Acta Crystallographica Section E","2011","67","9","o2265","o2266","10.1107/S1600536811019167","","","0.71073","MoKα","","0.0818","0.0494","","","0.1142","0.1303","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231487","3.9595","0.0002","22.6656","0.0011","8.0285","0.0004","90","","104.257","0.002","90","","698.32","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-2-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","2","HB6334","Khan, Muneeb Hayat; Khan, Islam Ullah; Akkurt, Mehmet","4-Amino-2-chlorobenzoic acid","Acta Crystallographica Section E","2011","67","9","o2247","","10.1107/S1600536811030728","","","0.71073","MoKα","","0.0299","0.0288","","","0.0755","0.0766","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231496","8.4351","0.0002","9.3038","0.0003","9.5023","0.0003","90","","98.683","0.002","90","","737.18","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-{[1-Carboxy-2-(1H-indol-3-yl)ethyliminio]methyl}-6- hydroxyphenolate","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","HB6347","Ba-Salamah, Salah Ahmed; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Lo, Kong Mun","(E)-2-{[1-Carboxy-2-(1H-indol-3-yl)ethyliminio]methyl}-6-hydroxyphenolate","Acta Crystallographica Section E","2011","67","9","o2389","","10.1107/S1600536811031709","","","0.71073","MoKα","","0.0432","0.0384","","","0.0905","0.0934","","","","","","1.141","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231519","8.912","0.0007","6.341","0.0004","11.8471","0.001","90","","109.98","0.004","90","","629.2","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","HB6372","Raza, Abdul Rauf; Saddiqa, Aisha; Tahir, M. Nawaz; Saddiq, Sadia","(2R)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid","Acta Crystallographica Section E","2011","67","9","o2435","","10.1107/S1600536811033393","","","0.71073","MoKα","","0.0575","0.0412","","","0.0918","0.1","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231605","8.1794","0.0002","13.9441","0.0003","9.1838","0.0002","90","","102.503","0.003","90","","1022.61","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","8-Hydroxy-2-methylquinolinium diiodido(2-methylquinolin-8-olato-κ^2^N,O)zincate","","- C20 H18 I2 N2 O2 Zn -","- C20 H18 I2 N2 O2 Zn -","- C40 H36 I4 N4 O4 Zn2 -","2","1","LH5307","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium diiodido(2-methylquinolin-8-olato-κ^2^N,O)zincate","Acta Crystallographica Section E","2011","67","9","m1282","","10.1107/S1600536811032351","","","0.71073","MoKα","","0.0363","0.0335","","","0.0865","0.0872","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231696","8.3621","0.0002","12.2183","0.0003","17.6504","0.0004","90","","101.478","0.003","90","","1767.29","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diaquabis(4-bromobenzoato-κO)bis(N,N- diethylnicotinamide-κN^1^)copper(II)","","- C34 H40 Br2 Cu N4 O8 -","- C34 H40 Br2 Cu N4 O8 -","- C68 H80 Br4 Cu2 N8 O16 -","2","1","SU2303","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Diaquabis(4-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN^1^)copper(II)","Acta Crystallographica Section E","2011","67","9","m1317","m1318","10.1107/S1600536811034787","","","0.71073","MoKα","","0.0451","0.0348","","","0.0742","0.079","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231722","8.4531","0.001","5.2521","0.0005","20.867","0.002","90","","98.056","0.004","90","","917.28","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-3-(1H-Indol-3-yl)-2-(4-methylbenzenesulfonamido)propionic acid monohydrate","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C36 H40 N4 O10 S2 -","2","1","WN2443","Khan, Islam Ullah; Arshad, Muhammad Nadeem; Mubashar-ur-Rehman, Hafiz; Harrison, William T. A.; Ali, Muhammad Baqir","(2S)-3-(1H-Indol-3-yl)-2-(4-methylbenzenesulfonamido)propionic acid monohydrate","Acta Crystallographica Section E","2011","67","9","o2325","","10.1107/S1600536811032089","","","0.71073","MoKα","","0.1518","0.0546","","","0.083","0.1072","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231730","3.8788","0.0008","13.634","0.003","6.1094","0.0012","90","","90.51","0.03","90","","323.07","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Methylnicotinic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","XU5270","Pan, Mei-Ling; Luo, Yang-Hui; Mao, Shu-Lin","6-Methylnicotinic acid","Acta Crystallographica Section E","2011","67","9","o2345","","10.1107/S1600536811031837","","","0.71073","MoKα","","0.0596","0.0487","","","0.1177","0.1255","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231785","5.2212","0.0002","9.6032","0.0005","18.4081","0.0008","90","","96.329","0.004","90","","917.36","0.07","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Methyl-L-leucyl-L-leucine hydrochloride monohydrate","","- C13 H29 Cl N2 O4 -","- C13 H29 Cl N2 O4 -","- C26 H58 Cl2 N4 O8 -","2","1","ZS2126","Lu, Tao; Xu, Mu-Wu; Liao, Xiao-Jian; Xu, Shi-Hai","N-Methyl-L-leucyl-L-leucine hydrochloride monohydrate","Acta Crystallographica Section E","2011","67","9","o2394","","10.1107/S1600536811031126","","","0.7107","MoKα","","0.0507","0.0419","","","0.1069","0.1136","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231807","12.6048","0.0002","7.3389","0.0002","14.3877","0.0003","90","","107.622","0.001","90","","1268.48","0.05","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H- pyrazol-4-yl)carboximidoyl]benzylidene}amino)-1,5-dimethyl-2-phenyl- 2,3-dihydro-1H-pyrazol-3-one","","- C30 H28 N6 O2 -","- C30 H28 N6 O2 -","- C60 H56 N12 O4 -","2","1","BH2383","Potgieter, Kim; Hosten, Eric; Gerber, Thomas; Betz, Richard","4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carboximidoyl]benzylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one","Acta Crystallographica Section E","2011","67","10","o2785","o2786","10.1107/S1600536811039158","","","0.71073","MoKα","","0.0494","0.0355","","","0.0748","0.0791","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231810","5.5307","0.001","8.1324","0.0015","14.857","0.002","90","","95.12","0.004","90","","665.57","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate","","- C15 H11 Cl O4 -","- C15 H11 Cl O4 -","- C30 H22 Cl2 O8 -","2","1","BQ2305","Fun, Hoong-Kun; Shahani, Tara; Garudachari, B.; Isloor, Arun M.; Shivananda, Kammasandra N.","2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate","Acta Crystallographica Section E","2011","67","10","o2682","","10.1107/S1600536811037500","","","0.71073","MoKα","","0.0713","0.0443","","","0.0929","0.1057","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231821","9.2115","0.0002","11.584","0.0002","10.464","0.0002","90","","101.591","0.002","90","","1093.8","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[3-(5-Hydroxy-5H-dibenzo[a,d]cyclohepten-5- yl)propyl]dimethylammonium 3-carboxyprop-2-enoate","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","BT5634","Jasinski, Jerry P.; Golen, James A.; Siddegowda, M. S.; Yathirajan, H. S.; Narayana, B.","[3-(5-Hydroxy-5H-dibenzo[a,d]cyclohepten-5-yl)propyl]dimethylammonium 3-carboxyprop-2-enoate","Acta Crystallographica Section E","2011","67","10","o2600","o2601","10.1107/S1600536811036257","","","0.71073","MoKα","","0.0356","0.0334","","","0.091","0.0933","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231835","11.839","0.0006","6.7053","0.0003","12.0875","0.0006","90","","101.399","0.005","90","","940.63","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-Hydroxy-4,8-dimethyl-12-(piperidin-1-ylmethyl)-3,14-dioxatricyclo [9.3.0.0^2,4^]tetradec-7-en-13-one","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C40 H62 N2 O8 -","2","1","BT5649","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Elhakmaoui, Ahmed; Berraho, Moha","9-Hydroxy-4,8-dimethyl-12-(piperidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2011","67","10","o2768","o2769","10.1107/S1600536811038803","","","0.71073","MoKα","","0.0293","0.0279","","","0.07","0.0706","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231837","8.233","0.0002","35.5366","0.001","10.1505","0.0003","90","","112.925","0.001","90","","2735.2","0.13","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate","1-(4,4'-Difluorobenzhydryl)piperazinium 2-(2-phenylethyl)benzoate","","- C32 H32 F2 N2 O2 -","- C32 H32 F2 N2 O2 -","- C128 H128 F8 N8 O8 -","4","2","BT5651","Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate","Acta Crystallographica Section E","2011","67","10","o2783","o2784","10.1107/S160053681103902X","","","0.71073","MoKα","","0.0541","0.0504","","","0.1264","0.1293","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231851","10.9637","0.0012","8.0627","0.0008","11.0352","0.0013","90","","94.746","0.001","90","","972.13","0.18","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Phenyl-7H-dinaphtho[2,1-b:1',2'-d]phosphole 7-oxide","","- C26 H17 O P -","- C26 H17 O P -","- C52 H34 O2 P2 -","2","1","CV5145","Yao, Lan; Zhao, Chang-Qiu","7-Phenyl-7H-dinaphtho[2,1-b:1',2'-d]phosphole 7-oxide","Acta Crystallographica Section E","2011","67","10","o2799","","10.1107/S1600536811038177","","","0.71073","MoKα","","0.0622","0.0424","","","0.0608","0.0646","","","","","","1.028","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2231857","4.919","0.003","9.995","0.007","10.382","0.007","90","","99.05","0.03","90","","504.1","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-Oxo-N-phenylpyrrolidine-2-carboxamide","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","DN2719","Qin, Wei-Yan; Liu, Bo; Ma, Jing; Wang, Hui-Juan","(S)-5-Oxo-N-phenylpyrrolidine-2-carboxamide","Acta Crystallographica Section E","2011","67","10","o2763","","10.1107/S160053681103786X","","","0.71073","MoKα","","0.0364","0.032","","","0.0787","0.082","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231896","10.6439","0.0015","7.2006","0.001","11.7226","0.0017","90","","115.396","0.002","90","","811.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-(4-Fluorophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran","","- C21 H15 F O S -","- C21 H15 F O S -","- C42 H30 F2 O2 S2 -","2","1","HB6402","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-(4-Fluorophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2011","67","10","o2742","","10.1107/S1600536811036713","","","0.71073","MoKα","","0.062","0.0383","","","0.0918","0.1055","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231915","4.79932","0.00007","16.6308","0.0002","10.76331","0.00014","90","","93.225","0.001","90","","857.73","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2R,3S,6S)-3-Acetyloxy-6-(1-phenyl-1H-1,2,3- triazol-4-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate","","- C18 H19 N3 O5 -","- C18 H19 N3 O5 -","- C36 H38 N6 O10 -","2","1","HG5093","Zukerman-Schpector, Julio; Stefani, Hélio A.; Silva, Nathalia C. S.; Ng, Seik Weng; Tiekink, Edward R. T.","[(2R,3S,6S)-3-Acetyloxy-6-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate","Acta Crystallographica Section E","2011","67","10","o2757","o2758","10.1107/S1600536811037305","","","1.54184","CuKα","","0.0335","0.0329","","","0.083","0.0838","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231956","6.2718","0.0001","19.0285","0.0003","8.453","0.0002","90","","110.184","0.002","90","","946.85","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-{(1S,2S,4aR,8R,8aR)-8-Hydroxy- 4a,8-dimethyl-1-[(2E)-2-methylbut-2-enoyloxy]decahydronaphthalen- 2-yl}acrylic acid","","- C20 H30 O5 -","- C20 H30 O5 -","- C40 H60 O10 -","2","1","JH2330","Kheyrabadi, Rasool; Habibi, Zohreh; Ng, Seik Weng","2-{(1S,2S,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyl-1-[(2E)-2-methylbut-2-enoyloxy]perhydronaphthalen-2-yl}acrylic acid from Sclerorhachis platyrachis","Acta Crystallographica Section E","2011","67","10","o2699","","10.1107/S1600536811037640","","","1.54184","CuKα","","0.0281","0.0279","","","0.0755","0.0758","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231965","12.7479","0.0008","15.8091","0.001","22.8897","0.0015","90","","97.378","0.002","90","","4574.8","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1344 [RuCl(p-cym)(Walphos-002-1)]PF6","(R,R~Fc~,S~Ru~)-Chlorido(η^6^-p-cymene){1-[1- (diphenylphosphanyl)ethyl]-2-[2-(diphenylphosphanyl)phenyl]ferrocene- κ^2^P,P'}ruthenium(II) hexafluoridophosphate","","- C52 H50 Cl F6 Fe P3 Ru -","- C52 H50 Cl F6 Fe P3 Ru -","- C208 H200 Cl4 F24 Fe4 P12 Ru4 -","4","2","KP2346","Schuecker, Raffael; Weissensteiner, Walter; Mereiter, Kurt","(R,R~Fc~,S~Ru~)-Chlorido(η^6^-p-cymene){1-[1-(diphenylphosphanyl)ethyl]-2-[2-(diphenylphosphanyl)phenyl]ferrocene-κ^2^P,P'}ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","10","m1379","m1380","10.1107/S1600536811036506","","","0.71073","MoKα","","0.0282","0.027","","","0.0681","0.0688","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231990","6.1409","0.0004","5.1952","0.0015","13.1844","0.0018","90","","95.118","0.012","90","","418.95","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-O-Acetyl-D-ribono-1,4-lactone","","- C7 H10 O6 -","- C7 H10 O6 -","- C14 H20 O12 -","2","1","LR2026","Bortoluzzi, Adailton J.; Sebrão, Damianni; Sá, Marcus M.; Nascimento, M. G.","5-O-Acetyl-D-ribono-1,4-lactone","Acta Crystallographica Section E","2011","67","10","o2778","","10.1107/S1600536811038670","","","0.71073","MoKα","","0.0741","0.0468","","","0.1234","0.1346","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232035","9.014","0.004","10.242","0.004","9.289","0.004","90","","108.194","0.004","90","","814.7","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,4,4a,5,6,7,9,9a-Octahydro-4a-hydroxyl-9-(4-hydroxyphenyl)-1H- xanthene-1,8(2H)-dione","4a-Hydroxy-9-(4-hydroxyphenyl)-4,4a,5,6,9,9a-hexahydro-3H-xanthene- 1,8(2H,7H)-dione","","- C19 H20 O5 -","- C19 H20 O5 -","- C38 H40 O10 -","2","1","RK2296","Wang, Liying; Lu, Weicheng; Yang, Yan; Zhu, Yulin","4a-Hydroxy-9-(4-hydroxyphenyl)-4,4a,5,6,9,9a-hexahydro-3H-xanthene-1,8(2H,7H)-dione","Acta Crystallographica Section E","2011","67","10","o2751","","10.1107/S1600536811038335","","","0.71073","MoKα","","0.0485","0.042","","","0.1069","0.1126","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232068","6.812","0.0006","8.7659","0.0007","12.1393","0.001","90","","97.009","0.003","90","","719.46","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-Hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)urea","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","TK2785","Choi, Hyeong; Shim, Yong Suk; Lee, Sung Chun; Kang, Sung Kwon; Sung, Chang Keun","1-(2-Hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)urea","Acta Crystallographica Section E","2011","67","10","o2632","","10.1107/S1600536811036464","","","0.71073","MoKα","","0.0646","0.0603","","","","0.1655","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232098","5.53418","0.00008","18.7308","0.0003","5.5157","0.00008","90","","95.2195","0.0014","90","","569.385","0.015","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-Aminoheptylazanium iodide","7-Aminoheptylazanium iodide","","- C7 H19 I N2 -","- C7 H19 I N2 -","- C14 H38 I2 N4 -","2","1","WN2452","Reiss, Guido J.","7-Aminoheptylazanium iodide","Acta Crystallographica Section E","2011","67","10","o2684","o2685","10.1107/S1600536811037329","","","0.71073","MoKα","","0.0174","0.0173","","","0.0392","0.0393","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232130","3.8878","0.0006","21.686","0.003","7.3919","0.0011","90","","90.294","0.011","90","","623.21","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-nitro-N-(3-nitrophenyl)benzamide","4-Nitro-N-(3-nitrophenyl)benzamide","","- C13 H9 N3 O5 -","- C13 H9 N3 O5 -","- C26 H18 N6 O10 -","2","1","ZL2389","Johnston, Dean H.; Taylor, Colin R.","4-Nitro-N-(3-nitrophenyl)benzamide","Acta Crystallographica Section E","2011","67","10","o2735","","10.1107/S1600536811038062","","","0.71073","MoKα","","0.0409","0.0339","","","0.078","0.0831","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232131","7.977","0.003","13.88","0.005","12.134","0.004","90","","97.944","0.007","90","","1330.6","0.8","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^N^2^,N^1^,N^6^)manganese(II) iodide monohydrate","","- C24 H22 I2 Mn N6 O3 -","- C24 H22 I2 Mn N6 O3 -","- C48 H44 I4 Mn2 N12 O6 -","2","1","ZQ2121","Ha, Kwang","Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^N^2^,N^1^,N^6^)manganese(II) iodide monohydrate","Acta Crystallographica Section E","2011","67","10","m1333","","10.1107/S1600536811035434","","","0.71073","MoKα","","0.0647","0.0399","","","0.0718","0.115","","","","","","1.227","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232155","5.973","0.0002","15.3905","0.0003","11.7713","0.0004","90","","100.499","0.0013","90","","1063.99","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate","","- C24 H29 Fe N O3 -","- C24 H29 Fe N O3 -","- C48 H58 Fe2 N2 O6 -","2","1","BH2388","Štěpnička, Petr; Císařová, Ivana","(R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate","Acta Crystallographica Section E","2011","67","11","m1619","m1620","10.1107/S1600536811044096","","","0.71073","MoKα","","0.0358","0.0302","","","0.0642","0.067","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232187","8.8808","0.0004","4.894","0.0002","13.7792","0.0005","90","","96.136","0.004","90","","595.45","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Methoxy-4-methyl-9,10-anthraquinone","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","BT5675","Osman, Che Puteh; Ahmad, Rohaya; Ismail, Nor Hadiani; Awang, Khalijah; Ng, Seik Weng","1-Methoxy-4-methyl-9,10-anthraquinone","Acta Crystallographica Section E","2011","67","11","o2973","","10.1107/S1600536811041912","","","1.54184","CuKα","","0.0375","0.0362","","","0.1056","0.1077","","","","","","1.159","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232201","11.128","0.004","8.757","0.003","15.057","0.005","90","","105.093","0.006","90","","1416.7","0.8","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-{[4-(Dimethylamino)benzyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol- 6(8H)-one methanol monosolvate","","- C31 H36 N2 O8 -","- C31 H36 N2 O8 -","- C62 H72 N4 O16 -","2","1","CV5160","Chen, Hong; Tian, Dan-Li; Chen, Hong; Shi, Shao-Yu; Ai, Ting","9-{[4-(Dimethylamino)benzyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one methanol monosolvate","Acta Crystallographica Section E","2011","67","11","o3042","","10.1107/S1600536811043054","","","0.71073","MoKα","","0.0628","0.0519","","","0.1002","0.1071","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232209","7.581","0.0004","9.2635","0.0004","21.4193","0.0009","90","","91.612","0.002","90","","1503.61","0.12","91","2","91","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-Acryloyl-2,2,6,6-tetramethylpiperidin-4-yl)acrylamide","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","2","CV5174","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","N-(1-Acryloyl-2,2,6,6-tetramethylpiperidin-4-yl)acrylamide","Acta Crystallographica Section E","2011","67","11","o3024","o3025","10.1107/S1600536811042693","","","0.71073","MoKα","","0.031","0.0295","","","0.067","0.0692","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232237","5.233","0.0004","13.47","0.001","11.176","0.0009","90","","97.291","0.002","90","","781.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phenyl 4,6-di-O-acetyl-2,3-dideoxy-1-thio-α-D-erythro-hex-2-\ enopyranoside","","- C16 H18 O5 S -","- C16 H18 O5 S -","- C32 H36 O10 S2 -","2","1","FJ2451","Kinfe, Henok H.; Mebrahtu, Fanuel M.; Muller, Alfred","Phenyl 4,6-di-O-acetyl-2,3-dideoxy-1-thio-α-D-erythro-hex-2-enopyranoside","Acta Crystallographica Section E","2011","67","11","o2840","o2841","10.1107/S1600536811040165","","","0.71073","MoKα","","0.0253","0.0247","","","","0.0658","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232291","15.7241","0.0005","6.8989","0.0002","20.66","0.0008","90","","97.196","0.003","90","","2223.52","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11- diene-κ^4^N,N',N'',N''')bis(nitrito- κN)cobalt(III) perchlorate hemihydrate","","- C16 H33 Cl Co N6 O8.5 -","- C16 H33 Cl Co N6 O8.5 -","- C64 H132 Cl4 Co4 N24 O34 -","4","2","HB6448","Roy, Tapashi G.; Nath, Babul C.; Begum, Khadija; Ng, Seik Weng; Tiekink, Edward R. T.","trans-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-κ^4^N,N',N'',N''')bis(nitrito-κN)cobalt(III) perchlorate hemihydrate","Acta Crystallographica Section E","2011","67","11","m1576","m1577","10.1107/S1600536811042784","","","0.71073","MoKα","","0.0566","0.0426","","","0.1153","0.135","","","","","","1.074","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232294","11.074","0.006","8.906","0.005","15.814","0.008","90","","91.815","0.012","90","","1558.9","1.4","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[N,N-Bis(diphenylphosphanyl)benzylamine-κ^2^P,P']dichloridonickel(II) dichloromethane monosolvate","","- C32 H29 Cl4 N Ni P2 -","- C32 H29 Cl4 N Ni P2 -","- C64 H58 Cl8 N2 Ni2 P4 -","2","1","HB6452","Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng","[N,N-Bis(diphenylphosphanyl)benzylamine-κ^2^P,P']dichloridonickel(II) dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","11","m1571","","10.1107/S1600536811042759","","","0.71073","MoKα","","0.0287","0.0258","","","0.0483","0.0486","","","","","","0.925","","","","has coordinates,has Fobs","211407","2020-10-21","18:00:00",""
"2232315","12.008","0.003","13.016","0.004","13.663","0.004","90","","97.154","0.004","90","","2118.8","1","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(E)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3- [3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one","","- C22 H26 O9 -","- C22 H26 O9 -","- C88 H104 O36 -","4","2","HG5103","Chang, Liu-Shuan; Li, Chen-Yang; Zhao, Yan-Mei; Xu, Fang; Gu, Zheng-Yi","(E)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o2931","","10.1107/S1600536811041213","","","0.71073","MoKα","","0.0443","0.0384","","","0.0734","0.0756","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232318","8.3387","0.0009","9.6266","0.001","13.9398","0.0014","90","","99.442","0.002","90","","1103.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,3-tribenzylindolin-2-one","1,3,3-Tribenzylindolin-2-one","","- C29 H25 N O -","- C29 H25 N O -","- C58 H50 N2 O2 -","2","1","HG5107","Liu, Yufang; Liu, Bo; Dong, Zhenming; Jin, Shuo","1,3,3-Tribenzylindolin-2-one","Acta Crystallographica Section E","2011","67","11","o2998","","10.1107/S1600536811042425","","","0.71073","MoKα","","0.0424","0.0329","","","0.0719","0.0762","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232368","6.0712","0.0006","13.4343","0.0013","10.0821","0.001","90","","96.882","0.002","90","","816.39","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","rac-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7- hexahydrobenzo[c][1,2]oxazole-5-carboxylate","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","KP2333","Ismiyev, Arif I.; Maharramov, Abel M.; Rashidov, Bahruz A.; Mammadova, Gunay Z.; Askerov, Rizvan K.","rac-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexahydrobenzo[c][1,2]oxazole-5-carboxylate","Acta Crystallographica Section E","2011","67","11","o3018","","10.1107/S1600536811042395","","","0.71073","MoKα","","0.1138","0.0586","","","0.0997","0.1151","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232414","8.2377","0.001","23.513","0.003","9.0894","0.001","90","","113.512","0.003","90","","1614.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Trityl-2-(tritylsulfanyl)aniline","","- C44 H35 N S -","- C44 H35 N S -","- C88 H70 N2 S2 -","2","1","NK2100","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","N-Trityl-2-(tritylsulfanyl)aniline","Acta Crystallographica Section E","2011","67","11","o2887","","10.1107/S1600536811039183","","","0.71073","MoKα","","0.0874","0.058","","","0.0909","0.0992","","","","","","0.907","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232433","7.1583","0.0008","13.2036","0.0012","11.251","0.0014","90","","90.642","0.009","90","","1063.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9R,10R,10aR)-9-(2-Bromophenyl)-10-nitro-6-phenyl- 10,10a-dihydro-9H-benzo[c]chromene-8-carbaldehyde","","- C26 H18 Br N O4 -","- C26 H18 Br N O4 -","- C52 H36 Br2 N2 O8 -","2","1","QM2032","Dufour, Jeremy; Maji, Modhu Sudan; Bolte, Michael","(9R,10R,10aR)-9-(2-Bromophenyl)-10-nitro-6-phenyl-10,10a-dihydro-9H-benzo[c]chromene-8-carbaldehyde","Acta Crystallographica Section E","2011","67","11","o2844","","10.1107/S160053681103995X","","","0.71073","MoKα","","0.0399","0.0358","","","0.0854","0.087","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232440","5.3359","0.0002","19.2285","0.0006","5.6017","0.0002","90","","97.334","0.003","90","","570.04","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-benzyl-3-nitroaniline","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C26 H24 N4 O4 -","2","1","RK2302","Stilinović, Vladimir; Portada, Tomislav","N-Benzyl-3-nitroaniline","Acta Crystallographica Section E","2011","67","11","o3013","","10.1107/S1600536811042632","","","0.71073","MoKα","","0.0391","0.0343","","","","0.0808","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232481","10.3679","0.0005","8.8238","0.0004","15.7591","0.0008","90","","90.893","0.003","90","","1441.53","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ammine-triphenylborane","Ammonia‒triphenylborane","","- C18 H18 B N -","- C18 H18 B N -","- C72 H72 B4 N4 -","4","2","TK5004","Dabrowski, Marek; Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz; Warkocka, Jolanta","Ammonia‒triphenylborane","Acta Crystallographica Section E","2011","67","11","o3098","","10.1107/S1600536811044503","","","0.71073","MoKα","","0.0747","0.0432","","","0.0948","0.0961","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232536","7.2302","0.0004","14.4055","0.0006","14.6663","0.0006","90","","94.414","0.001","90","","1523.03","0.12","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","4-(E)-3-(2-Chlorophenyl)acryloyloxytrichodermin","8-{[(E)-3-(2-Chlorophenyl)acryloyloxy]imino}-12,13-epoxytrichethec- 9-en-4-yl (E)-3-(2-chlorophenyl)acrylate","","- C33 H31 Cl2 N O6 -","- C33 H31 Cl2 N O6 -","- C66 H62 Cl4 N2 O12 -","2","1","ZQ2124","Xu, Xiao-Jun; Li, Xiao-Liang; Cheng, Jing-li; Zhao, Jin-hao","8-{[(E)-3-(2-Chlorophenyl)acryloyloxy]imino}-12,13-epoxytrichethec-9-en-4-yl (E)-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2011","67","11","o2834","","10.1107/S1600536811039638","","","0.71073","MoKα","","0.0952","0.0396","","","0.0885","0.1298","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232560","7.612","0.0013","13.883","0.002","13.049","0.002","90","","105.117","0.003","90","","1331.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Fluoro-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole","","- C16 H11 F N2 O S -","- C16 H11 F N2 O S -","- C64 H44 F4 N8 O4 S4 -","4","2","BQ2315","Fun, Hoong-Kun; Hemamalini, Madhukar; Umesha, K.; Sarojini, B. K.; Narayana, B.","6-Fluoro-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole","Acta Crystallographica Section E","2011","67","12","o3265","o3266","10.1107/S1600536811046666","","","0.71073","MoKα","","0.1186","0.0514","","","0.0943","0.1164","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232567","8.18603","0.00014","10.82977","0.00014","8.19874","0.00013","90","","110.369","0.0019","90","","681.39","0.02","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihydroxy- 4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium iodide","","- C11 H22 I N O2 -","- C11 H22 I N O2 -","- C22 H44 I2 N2 O4 -","2","1","BQ2323","Vrábel, Viktor; Sivý, Július; Švorc, Ľubomír; Šafář, Peter; Žužiová, Jozefína","(4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihydroxy-4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium iodide","Acta Crystallographica Section E","2011","67","12","o3520","o3521","10.1107/S1600536811051099","","","0.71073","MoKα","","0.0203","0.0188","","","0.0488","0.0494","","","","","","0.913","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232602","3.8564","0.0005","27.178","0.003","10.4681","0.0009","90","","99.966","0.009","90","","1080.6","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Cyano-3-(2,3-dimethoxyphenyl)acrylic acid","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","2","BT5719","Khalaji, Aliakbar Dehno; Fejfarová, Karla; Dušek, Michal","(E)-2-Cyano-3-(2,3-dimethoxyphenyl)acrylic acid","Acta Crystallographica Section E","2011","67","12","o3508","o3509","10.1107/S1600536811051129","","","1.5418","CuKα","","0.0565","0.0487","","","0.124","0.1291","","","","","","1.73","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232614","11.389","0.002","15.714","0.003","11.766","0.002","90","","98.925","0.003","90","","2080.2","0.6","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,11α-Dihydroxy-12-ursen-3-yl palmitate","","- C46 H80 O3 -","- C46 H80 O3 -","- C92 H160 O6 -","2","1","BX2380","Yuan, Yong-Liang; Bai, Su-Ping; Liang, Hui-Juan; Ye, Dan-Dan","3β,11α-Dihydroxy-12-ursen-3-yl palmitate","Acta Crystallographica Section E","2011","67","12","o3355","","10.1107/S1600536811047106","","","0.71073","MoKα","","0.0468","0.0429","","","0.0962","0.0979","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232686","9.7843","0.0004","3.9514","0.0002","11.6076","0.0005","90","","96.353","0.004","90","","446.01","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Bromo-2-methylsulfanyl-1,3-benzothiazole","","- C8 H6 Br N S2 -","- C8 H6 Br N S2 -","- C16 H12 Br2 N2 S4 -","2","1","GK2424","Dobrowolski, Michał A.; Struga, Marta; Szulczyk, Daniel","6-Bromo-2-methylsulfanyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","12","o3446","o3447","10.1107/S160053681105015X","","","0.71073","MoKα","","0.0195","0.0165","","","0.0329","0.0332","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232754","10.882","0.001","6.6015","0.0009","11.656","0.001","90","","102.53","0.02","90","","817.39","0.16","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aS,4bR,7R,10aS)-3,7-Dimethyl- 10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","HG5119","Caracelli, Ignez; Zukerman-Schpector, Julio; Machado, André T. Lousada; Brocksom, Timothy J.; Ferreira, M. Lúcia; Tiekink, Edward R. T.","(4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione","Acta Crystallographica Section E","2011","67","12","o3192","","10.1107/S160053681104517X","","","0.71073","MoKα","","0.137","0.0369","","","0.093","0.1222","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232821","8.3492","0.0003","7.4954","0.0002","14.9246","0.0003","90","","90.674","0.0018","90","","933.93","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R)-4-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methylpiperazin-1-ium chloride","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","KP2361","Ertan, Anne; Sharma, Parhalad; Nagaraju, Dokka; Deepthi, K.; Manjunatha, Sulur G.","(2R)-4-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methylpiperazin-1-ium chloride","Acta Crystallographica Section E","2011","67","12","o3386","o3387","10.1107/S1600536811048306","","","0.71073","MoKα","","0.0454","0.0359","","","0.0797","0.0858","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232834","6.2303","0.0006","5.5941","0.0005","15.1364","0.0015","90","","97.049","0.001","90","","523.56","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Benzyl-3,5-dimethyl-1H-pyrazole","","- C12 H14 N2 -","- C12 H14 N2 -","- C24 H28 N4 -","2","1","LH5342","Wang, Su-Qing; Kong, Cheng","4-Benzyl-3,5-dimethyl-1H-pyrazole","Acta Crystallographica Section E","2011","67","12","o3199","","10.1107/S1600536811045405","","","0.71073","MoKα","","0.0618","0.0447","","","0.1004","0.1072","","","","","","0.949","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232857","10.2218","0.0003","8.4535","0.0002","15.7633","0.0004","90","","100.3","0.002","90","","1340.16","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-Methyl 3-(3,4-dimethoxyphenyl)-2-[2-(diphenylphosphanyl)benzamido]propanoate","","- C31 H30 N O5 P -","- C31 H30 N O5 P -","- C62 H60 N2 O10 P2 -","2","1","LR2034","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(S)-Methyl 3-(3,4-dimethoxyphenyl)-2-[2-(diphenylphosphanyl)benzamido]propanoate","Acta Crystallographica Section E","2011","67","12","o3285","","10.1107/S1600536811047179","","","0.71073","MoKα","","0.0499","0.0343","","","0.0731","0.0788","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232879","9.228","0.003","7.752","0.002","11.359","0.004","90","","100.88","0.004","90","","798","0.4","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","N^1^,N^4^-Diethynyl-N^1^,N^4^-diphenylbenzene- 1,4-diamine","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","1","NK2117","Tabata, Hideyuki; Okuno, Tsunehisa","N^1^,N^4^-Diethynyl-N^1^,N^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section E","2011","67","12","o3169","","10.1107/S1600536811045351","","","0.71075","MoKα","","","0.0428","","","","0.0926","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232954","7.153","0.002","15.503","0.004","13.446","0.004","90","","100.763","0.005","90","","1464.8","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindoline-1,3-dione","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","2","SU2339","Xu, Hua-Jie; Su, Peng-Fei; Liu, Zhao-Di","2-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","12","o3165","","10.1107/S1600536811045569","","","0.71073","MoKα","","0.0631","0.0427","","","0.0977","0.1089","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233103","10.868","0.002","5.1693","0.0013","13.327","0.003","90","","102.623","0.018","90","","730.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2H-1,3-benzoxazine)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","BT5748","Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2H-1,3-benzoxazine)","Acta Crystallographica Section E","2012","68","1","o148","","10.1107/S1600536811053530","","","1.5418","CuKα","","0.1055","0.067","","","0.1503","0.1706","","","","","","1.38","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233122","10.066","0.002","6.7887","0.0014","11.05","0.002","90","","99.3","0.03","90","","745.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethane-1,2-diaminium (R)-2-[4-(1-carboxylatoethoxy)phenoxy]acetate","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C26 H40 N4 O12 -","2","1","CV5213","Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","Ethane-1,2-diaminium (R)-2-[4-(1-carboxylatoethoxy)phenoxy]acetate","Acta Crystallographica Section E","2012","68","1","o223","","10.1107/S1600536811054535","","","0.71073","MoKα","","0.1247","0.0662","","","0.15","0.1764","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233132","11.7552","0.0009","5.9139","0.0004","13.8789","0.0011","90","","109.023","0.009","90","","912.16","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R)-4-Benzyl-3-{(4S)-4-chloro-4-[(S)-2,2- dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one","","- C19 H24 Cl N O5 -","- C19 H24 Cl N O5 -","- C38 H48 Cl2 N2 O10 -","2","1","FF2045","Börding, Sandra; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4R)-4-Benzyl-3-{(4S)-4-chloro-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","1","o169","","10.1107/S1600536811053840","","","0.71073","MoKα","","0.0653","0.039","","","0.0447","0.0469","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233144","17.669","0.005","3.911","0.0011","18.38","0.005","90","","108.177","0.004","90","","1206.7","0.6","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione","","","- C9 H4 S7 -","- C9 H4 S7 -","- C36 H16 S28 -","4","2","FY2030","Ueda, Kazumasa; Suzuki, Kenta; Kunimoto, Kei; Yoza, Kenji","2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione","Acta Crystallographica Section E","2012","68","1","o52","","10.1107/S1600536811051518","","","0.71073","MoKα","","0.1058","0.0609","","","0.0926","0.1072","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233184","14.1361","0.0007","32.2264","0.0017","28.9417","0.0016","90","","90.572","0.001","90","","13183.9","1.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]- 2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene","","- C76 H80 O16 -","- C76 H80 O16 -","- C608 H640 O128 -","8","4","HG5129","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]-2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene","Acta Crystallographica Section E","2012","68","1","o97","o98","10.1107/S1600536811051567","","","0.71073","MoKα","","0.0879","0.0561","","","0.1438","0.1624","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233206","7.582","0.0001","9.7487","0.0001","17.8588","0.0002","90","","93.1792","0.0018","90","","1318","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α,6α-Epoxy-7-norcholestan-3β-yl acetate","","- C28 H46 O3 -","- C28 H46 O3 -","- C56 H92 O6 -","2","1","IM2347","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Carvalho, J. F. S.; Cruz Silva, M. M.","5α,6α-Epoxy-7-norcholestan-3β-yl acetate","Acta Crystallographica Section E","2012","68","1","o237","","10.1107/S1600536811054249","","","0.71073","MoKα","","0.105","0.0483","","","0.1114","0.1378","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233225","18.2082","0.0019","10.6028","0.0011","20.287","0.002","90","","93.003","0.002","90","","3911.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-Di-tert-butyl-6-[(R/S)-1-(3,5-di-tert-butyl-2- hydroxyphenyl)ethyl]phenyl [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1- yl]methanesulfonate","","- C40 H60 O5 S -","- C40 H60 O5 S -","- C160 H240 O20 S4 -","4","2","KP2372","Wang, Cheng; Wu, Jincai","2,4-Di-tert-butyl-6-[(R/S)-1-(3,5-di-tert-butyl-2-hydroxyphenyl)ethyl]phenyl [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate","Acta Crystallographica Section E","2012","68","1","o93","","10.1107/S1600536811052664","","","0.71073","MoKα","","0.1236","0.069","","","0.1755","0.2034","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233239","10.374","0.002","19.624","0.004","15.576","0.004","90","","100.065","0.0013","90","","3122.1","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclo-(Met-Leu-Ile-Pro-Pro-Phe-Phe-Val-Ile)","Cyclolinopeptide B methanol trisolvate","","- C59 H95 N9 O12 S -","- C59 H95 N9 O12 S -","- C118 H190 N18 O24 S2 -","2","1","LH5387","Schatte, Gabriele; Labiuk, Shaunivan; Li, Bonnie; Burnett, Peta-Gaye; Reaney, Martin; Grochulski, Pawel; Fodje, Michel; Yang, Jian; Sammynaiken, Ramaswami","Cyclolinopeptide B methanol trisolvate","Acta Crystallographica Section E","2012","68","1","o50","o51","10.1107/S1600536811051488","","","0.68878","synchrotron","","0.0601","0.0484","","","0.102","0.1156","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233243","11.6772","0.0009","6.9524","0.0004","11.8244","0.0009","90","","102.16","0.002","90","","938.42","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C38 H58 N2 O12 -","2","1","LH5393","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","1","o167","o168","10.1107/S1600536811053207","","","0.71073","MoKα","","0.0578","0.0435","","","0.1014","0.1101","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233261","9.6237","0.0007","6.6547","0.0004","12.0503","0.0008","90","","105.794","0.002","90","","742.6","0.09","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-Acetyl-3-[(R)-1-(4-bromophenyl)-2-nitroethyl]oxolan-2-one","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","PK2367","Wang, Yifeng; Chen, Ruxiang; Li, Zhaobo; Xu, Danqian","(S)-3-Acetyl-3-[(R)-1-(4-bromophenyl)-2-nitroethyl]oxolan-2-one","Acta Crystallographica Section E","2012","68","1","o110","","10.1107/S1600536811051725","","","0.71073","MoKα","","0.0876","0.0328","","","0.0655","0.1039","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233343","7.122","0.0014","5.469","0.0011","12.981","0.003","90","","98.13","0.03","90","","500.53","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Fluorophenyl)-2-(1H-imidazol-1-yl)ethanol","","- C11 H11 F N2 O -","- C11 H11 F N2 O -","- C22 H22 F2 N4 O2 -","2","1","ZQ2137","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(4-Fluorophenyl)-2-(1H-imidazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","1","o152","","10.1107/S1600536811053505","","","0.71073","MoKα","","0.0496","0.0413","","","0.1173","0.1237","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233359","7.708","0.003","13.187","0.005","9.501","0.003","90","","97.679","0.006","90","","957.1","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl- 4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12- methanobenzofuro[3,2-e]isoquinolin-3-ium bromide","","- C21 H26 Br N O4 -","- C21 H26 Br N O4 -","- C42 H52 Br2 N2 O8 -","2","1","BG2437","Chen, Xiangfeng; Zong, Zaiwei; Du, Youguo; Li, Jianguo; Sun, Min","(3R,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide","Acta Crystallographica Section E","2012","68","2","o405","o406","10.1107/S1600536812000645","","","0.71073","MoKα","","0.0482","0.0352","","","0.0703","0.0729","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233374","5.7558","0.0003","21.6262","0.0009","15.1337","0.0007","90","","93.72","0.001","90","","1879.81","0.15","296","2","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3S)-2-benzoyl-3-(4-bromophenyl)-4-nitrobutanoate","","- C19 H18 Br N O5 -","- C19 H18 Br N O5 -","- C76 H72 Br4 N4 O20 -","4","2","BT5738","Wang, Yifeng; Wang, Ke; Li, Zhaobo; Xu, Danqian","Ethyl (2R,3S)-2-benzoyl-3-(4-bromophenyl)-4-nitrobutanoate","Acta Crystallographica Section E","2012","68","2","o499","","10.1107/S1600536812002073","","","0.71073","MoKα","","0.103","0.0457","","","0.097","0.1272","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233381","11.8609","0.0006","4.6429","0.0002","14.4712","0.0008","90","","93.053","0.004","90","","795.78","0.07","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1H-benzotriazole)","","- C17 H18 N8 -","- C17 H18 N8 -","- C34 H36 N16 -","2","1","BT5768","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1H-benzotriazole)","Acta Crystallographica Section E","2012","68","2","o312","o313","10.1107/S1600536812000232","","","1.5418","CuKα","","0.0285","0.0269","","","0.0719","0.0729","","","","","","1.52","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233384","7.6224","0.0004","7.9139","0.0004","11.7536","0.0005","90","","91.341","0.004","90","","708.82","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C32 H24 N4 O4 S2 -","2","1","BT5774","Inaç, Hasan; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(E)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene","Acta Crystallographica Section E","2012","68","2","o361","","10.1107/S1600536812000190","","","0.7107","MoKα","","","0.0374","","","","0.089","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233420","10.4653","0.0015","8.0606","0.0012","13.711","0.002","90","","108.702","0.001","90","","1095.5","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Dimethyl-N^1^,N^4^-bis(1-phenylethyl)-1,4-dihydro- 1,2,4,5-tetrazine-1,4-dicarboxamide","","- C22 H26 N6 O2 -","- C22 H26 N6 O2 -","- C44 H52 N12 O4 -","2","1","CV5230","Rao, Guo-Wu; Li, Qi; Lu, Xiao-Jing","3,6-Dimethyl-N^1^,N^4^-bis(1-phenylethyl)-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","2","o428","","10.1107/S160053681200133X","","","0.71073","MoKα","","0.0298","0.0278","","","0.0704","0.0722","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233439","6.8549","0.001","11.711","0.002","17.356","0.003","90","","91.607","0.013","90","","1392.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Cyano-11-oxo-3,4-seco-12a-aza-C-homoolean-4(23)-en-28-oic acid methyl ester","","- C31 H48 N2 O3 -","- C31 H48 N2 O3 -","- C62 H96 N4 O6 -","2","1","FJ2500","Froelich, A.; Bednarczyk-Cwynar, B.; Gzella, A. K.","3-Cyano-11-oxo-3,4-seco-12a-aza-C-homoolean-4(23)-en-28-oic acid methyl ester","Acta Crystallographica Section E","2012","68","2","o532","","10.1107/S1600536812002863","","","1.54178","CuKα","","0.0414","0.0387","","","0.1097","0.1124","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233442","10.475","0.002","7.4792","0.0015","11.533","0.002","90","","92.339","0.004","90","","902.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[N- (thiophen-2-ylmethylidene)methanamine]","","- C17 H20 N2 O2 S2 -","- C17 H20 N2 O2 S2 -","- C34 H40 N4 O4 S4 -","2","1","FK2048","Jiang, Yan; Bian, Jing; Sun, Xiaoqiang","[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[N-(thiophen-2-ylmethylidene)methanamine]","Acta Crystallographica Section E","2012","68","2","o430","","10.1107/S1600536812001298","","","0.71073","MoKα","","0.055","0.0381","","","0.0839","0.0924","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233476","5.7311","0.0011","13.136","0.003","6.7373","0.0013","90","","102.52","0.03","90","","495.15","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(2-Hydroxyethyl)azaniumyl]ethanaminium oxalate monohydrate","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C12 H32 N4 O12 -","2","1","HB6584","Jin, Yu","2-[(2-Hydroxyethyl)azaniumyl]ethanaminium oxalate monohydrate","Acta Crystallographica Section E","2012","68","2","o337","","10.1107/S1600536811056157","","","0.71073","MoKα","","0.0507","0.038","","","0.0816","0.0861","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233519","17.1691","0.0002","9.6694","0.0001","19.1447","0.0003","90","","109.171","0.001","90","","3002.05","0.07","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone","6-[2-(2-Cyanoacetyl)hydrazin-1-ylidene]-5α-cholestan-3β-yl acetate","","- C32 H51 N3 O3 -","- C32 H51 N3 O3 -","- C128 H204 N12 O12 -","4","2","IS5021","Yusufzai, Samina Khan; Osman, Hasnah; Sulaiman, Othman; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone","Acta Crystallographica Section E","2012","68","2","o473","o474","10.1107/S1600536812001432","","","0.71073","MoKα","","0.0868","0.0537","","","0.1038","0.1174","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233536","11.5129","0.0002","7.0934","0.0001","22.3946","0.0004","90","","96.75","0.001","90","","1816.19","0.05","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","ent-15S-prima-8(14)-ene-15,16-diol Ceriotagalsin L","(S)-1-[(2S,4aR,8aR)-2,4b,8,8-tetramethyl- 2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]ethane-1,2-diol","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","2","IS5054","Fun, Hoong-Kun; Chantrapromma, Suchada; Pakhathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Kan","ent-(15S)-Pimar-8(14)-ene-15,16-diol","Acta Crystallographica Section E","2012","68","2","o520","o521","10.1107/S1600536812002565","","","0.71073","MoKα","","0.0491","0.0414","","","0.1008","0.1057","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233589","11.4723","0.0004","8.9548","0.0002","15.0543","0.0005","90","","96.99","0.002","90","","1535.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl (1R,1'S,2'S,7a'R)-2-oxo- 1'-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7- tetramethyltetrahydro-3aH- bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-1',2',5',6',7',7a'- hexahydro-2H-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate","","- C32 H37 N O8 -","- C32 H37 N O8 -","- C64 H74 N2 O16 -","2","1","PV2491","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl (1R,1'S,2'S,7a'R)-2-oxo-1'-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-1',2',5',6',7',7a'-hexahydro-2H-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate","Acta Crystallographica Section E","2012","68","2","o382","o383","10.1107/S1600536811055760","","","0.71073","MoKα","","0.0741","0.0455","","","0.1091","0.1244","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233602","8.064","0.002","10.775","0.003","10.462","0.004","90","","109.7","0.02","90","","855.8","0.5","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,4S,5S,8S,10R,13R)- 3-Hydroxykaura-9(11),16-dien-18-oic acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","QK2025","Beattie, Karren D.; Bhadbhade, Mohan M.; Craig, Donald C.; Leach, David N.","(3R,4S,5S,8S,10R,13R)-3-Hydroxykaura-9(11),16-dien-18-oic acid","Acta Crystallographica Section E","2012","68","2","o526","o527","10.1107/S1600536812002206","","","0.71073","MoKα","","0.0689","0.0444","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233625","10.7108","0.0014","7.2772","0.0007","11.469","0.0014","90","","114.366","0.014","90","","814.32","0.19","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2E,6E)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","SU2352","Abaee, M. Saeed; Massa, Werner; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","(2E,6E)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one","Acta Crystallographica Section E","2012","68","2","o355","","10.1107/S1600536811055632","","","0.71073","MoKα","","0.0565","0.0353","","","0.0665","0.0707","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233631","3.992","0.0008","7.367","0.0015","20.885","0.004","90","","94.87","0.03","90","","612","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzaldehyde","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","SU2359","He, Xue-Jun; Song, Jun-Song; Huang, Qin-Qin; Wang, De-Cai; Ou-yang, Ping-Kai","2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzaldehyde","Acta Crystallographica Section E","2012","68","2","o423","","10.1107/S1600536812000840","","","0.71073","MoKα","","0.0596","0.0462","","","0.1208","0.1305","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233632","6.0728","0.0003","16.1595","0.0008","12.849","0.0006","90","","90.238","0.003","90","","1260.91","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-1-(3-Ethoxy-2-hydroxybenzylidene)thiosemicarbazide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","SU2360","Adabi Ardakani, Amir; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-1-(3-Ethoxy-2-hydroxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","2","o340","o341","10.1107/S1600536812000487","","","0.71073","MoKα","","0.1788","0.0564","","","0.0877","0.1188","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233637","7.7661","0.0017","22.148","0.003","9.7002","0.0016","90","","100.382","0.002","90","","1641.2","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-(3-Ethoxy-2-hydroxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","2","SU2365","Zhu, Zhao-Fu; Shao, Li-Juen; Shen, Xi-Hai","N'-(3-Ethoxy-2-hydroxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o500","","10.1107/S1600536812002127","","","0.71073","MoKα","","0.1418","0.0537","","","0.0856","0.1134","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233652","7.0967","0.0013","6.2911","0.0008","8.429","0.0013","90","","100.606","0.014","90","","369.89","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hydrogen 4-ammoniophenylphosphonate","","- C6 H8 N O3 P -","- C6 H8 N O3 P -","- C12 H16 N2 O6 P2 -","2","1","VM2144","Thiele, Kerstin; Wagner, Christoph; Merzweiler, Kurt","Hydrogen 4-ammoniophenylphosphonate","Acta Crystallographica Section E","2012","68","2","o263","","10.1107/S1600536811055218","","","0.71073","MoKα","","0.0331","0.0287","","","0.0613","0.0626","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233673","9.2079","0.0009","8.5034","0.0005","14.3199","0.0012","90","","100.804","0.009","90","","1101.35","0.16","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl butyrate","(2S,3R,4S,5S,6R)-3,4,5-triacetoxy- 6-(acetoxymethyl)oxinan-2-yl butyrate","","- C18 H26 O11 -","- C18 H26 O11 -","- C36 H52 O22 -","2","1","XU5405","Cui, Yan-Li; Xu, Ming-Han; Mao, Jian-Wei; Yu, Yong-Ping","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl butyrate","Acta Crystallographica Section E","2012","68","2","o320","","10.1107/S1600536811055814","","","0.71073","MoKα","","0.0719","0.0484","","","0.1297","0.1467","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233681","11.3342","0.0005","8.4744","0.0003","13.7868","0.0006","90","","103.864","0.004","90","","1285.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]- 1H-1,2,4-triazole-5(4H)-thione","","- C29 H35 N5 S -","- C29 H35 N5 S -","- C58 H70 N10 S2 -","2","1","XU5420","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali; Ng, Seik Weng","3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","2","o345","","10.1107/S1600536811055711","","","0.71073","MoKα","","0.0659","0.0597","","","0.1485","0.1535","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233700","9.493","0.002","21.406","0.006","15.743","0.004","90","","93.562","0.004","90","","3192.9","1.4","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(4R,5R)-(2,2-Dimethyl-1,3-dioxolane-4,5- diyl)bis(diphenylmethanolato)]-κ^2^O:O']bis(N- methylmethanaminato)titanium(IV)","","- C35 H40 N2 O4 Ti -","- C35 H40 N2 O4 Ti -","- C140 H160 N8 O16 Ti4 -","4","2","YK2040","Roteta, Leslie; Tanski, Joseph M.","[(4R,5R)-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^O:O']bis(N-methylmethanaminato)titanium(IV)","Acta Crystallographica Section E","2012","68","2","m217","","10.1107/S1600536812002929","","","0.71073","MoKα","","0.1165","0.0677","","","0.1462","0.1695","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233721","5.677","0.003","9.186","0.004","16.531","0.007","90","","98.91","0.03","90","","851.7","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","cis-Zearalenone","(3S,11Z)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro- 1H-2-benzoxacyclotetradecine-1,7(8H)-dione","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","BG2443","Köppen, Robert; Riedel, Juliane; Emmerling, Franziska; Koch, Matthias","(3S,11Z)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione (cis-zearalenone): a redetermination","Acta Crystallographica Section E","2012","68","3","o832","","10.1107/S1600536812002735","","","0.71073","MoKα","","0.0893","0.0383","","","0.0862","0.1237","","","","","","0.865","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233725","11.5157","0.0002","9.8239","0.0001","14.0922","0.0002","90","","99.035","0.002","90","","1574.46","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S,7S,8S,8aS)-6-Ethyl-3-oxo- 1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","BQ2336","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Marchalín, Štefan","(6S,7S,8S,8aS)-6-Ethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate","Acta Crystallographica Section E","2012","68","3","o662","o663","10.1107/S1600536812005144","","","0.71073","MoKα","","0.0521","0.0371","","","0.0985","0.1037","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233743","8.0446","0.001","8.8031","0.0009","10.2809","0.001","90","","98.989","0.011","90","","719.12","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline","","- C17 H15 N S -","- C17 H15 N S -","- C34 H30 N2 S2 -","2","1","BT5806","Kahveci Yağcı, Nermin; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(E)-N-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline","Acta Crystallographica Section E","2012","68","3","o623","o624","10.1107/S1600536812004151","","","0.71073","MoKα","","0.0478","0.04","","","0.0921","0.101","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233752","14.583","0.002","6.3366","0.0017","24.697","0.003","90","","93.598","0.014","90","","2277.7","0.7","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 F N2 O4 -","- C25 H33 F N2 O4 -","- C100 H132 F4 N8 O16 -","4","2","BT5817","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Outouch, Rachid; Berraho, Moha","12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2012","68","3","o741","o742","10.1107/S1600536812006411","","","0.71073","MoKα","","0.0743","0.0676","","","0.1916","0.1968","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233756","5.6401","0.0001","16.104","0.0002","11.3759","0.0002","90","","99.762","0.002","90","","1018.29","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-Bis[(S)-1-phenylethyl]-1H,5H- pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone","","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","- C52 H40 N4 O8 -","2","1","BT5823","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","2,6-Bis[(S)-1-phenylethyl]-1H,5H-pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone","Acta Crystallographica Section E","2012","68","3","o907","","10.1107/S1600536812007684","","","1.5418","CuKα","","0.0326","0.0326","","","0.0992","0.0992","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233761","13.501","0.002","10.3222","0.0015","14.889","0.002","90","","100.453","0.005","90","","2040.5","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4- carboxylate dimethyl sulfoxide hemisolvate","","- C18 H16 Cl3 N4 O2.5 S0.5 -","- C18 H16 Cl3 N4 O2.5 S0.5 -","- C72 H64 Cl12 N16 O10 S2 -","4","2","BT5829","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate dimethyl sulfoxide hemisolvate","Acta Crystallographica Section E","2012","68","3","o917","o918","10.1107/S1600536812008264","","","0.71069","MoKα","","0.1507","0.0679","","","0.1075","0.1329","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233776","10.974","0.003","9.662","0.002","14.45","0.004","90","","105.059","0.015","90","","1479.5","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ergotaminine","(6aR,9S)-N-[(2R,5S,10aS, 10bS)-5-Benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H- oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide","","- C33 H35 N5 O5 -","- C33 H35 N5 O5 -","- C66 H70 N10 O10 -","2","1","DS2173","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Ergotaminine","Acta Crystallographica Section E","2012","68","3","o610","o611","10.1107/S1600536812003674","","","0.71073","MoKα","","0.0633","0.0466","","","0.0862","0.0926","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233780","6.5766","0.0005","4.8877","0.0004","18.2211","0.0013","90","","98.316","0.007","90","","579.55","0.08","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Benzylisatin","1-benzylindoline-2,3-dione","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","EZ2282","Schutte, M.; Visser, H. G.; Roodt, A.; Braband, H.","N-Benzylisatin","Acta Crystallographica Section E","2012","68","3","o777","","10.1107/S1600536812006575","","","0.71073","MoKα","","0.1242","0.0621","","","","0.1282","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233792","5.8222","0.0004","15.5982","0.001","10.7299","0.0009","90","","97.693","0.006","90","","965.67","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 Dapsone-3,5-dinitrobenzoic acid adduct","4-[(4-Aminophenyl)sulfonyl]aniline‒3,5-dinitrobenzoic acid (1/1)","","- C19 H16 N4 O8 S -","- C19 H16 N4 O8 S -","- C38 H32 N8 O16 S2 -","2","1","FJ2510","Smith, Graham; Wermuth, Urs D.","4-[(4-Aminophenyl)sulfonyl]aniline‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","3","o669","","10.1107/S1600536812004709","","","0.71073","MoKα","","0.0875","0.0557","","","0.0945","0.102","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233800","13.0321","0.0009","6.7332","0.0004","17.3091","0.001","90","","104.479","0.003","90","","1470.6","0.16","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-tryptophan tris(p-nitrophenol)","L-Tryptophan 4-nitrophenol trisolvate","","- C29 H27 N5 O11 -","- C29 H27 N5 O11 -","- C58 H54 N10 O22 -","2","1","FK2052","Rodrigues, V. H.; Costa, M. M. R. R.; Belsley, M.; de Matos Gomes, E.","L-Tryptophan 4-nitrophenol trisolvate","Acta Crystallographica Section E","2012","68","3","o920","","10.1107/S1600536812007817","","","0.71073","MoKα","","0.0648","0.0348","","","0.0876","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233821","4.6983","0.0003","14.5424","0.001","5.5271","0.0004","90","","99.663","0.003","90","","372.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro- 1H-pyrrolizin-3-one","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C14 H22 N2 O8 -","2","1","HB6566","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro-1H-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","3","o586","","10.1107/S1600536812002292","","","1.54178","CuKα","","0.0294","0.0294","","","0.0728","0.0729","","","","","","1.143","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233831","5.9894","0.0001","10.6483","0.0001","19.6676","0.0002","90","","96.324","0.001","90","","1246.71","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Di-tert-butyl (2R,3R)-2-{[(2E)-3-(4-acetyloxy- 3-methoxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioate","","- C24 H32 O10 -","- C24 H32 O10 -","- C48 H64 O20 -","2","1","HB6612","Hixson, Josh L.; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","Di-tert-butyl (2R,3R)-2-{[(2E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioate","Acta Crystallographica Section E","2012","68","3","o568","o569","10.1107/S1600536812002784","","","1.54184","CuKα","","0.0568","0.0565","","","0.159","0.1593","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233870","13.0338","0.0005","10.8079","0.0002","14.0431","0.0005","90","","92.031","0.001","90","","1976.98","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","2","HG5180","Naicker, Tricia; Chelopo, Madichaba; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(S)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","3","o883","","10.1107/S1600536812007969","","","0.71073","MoKα","","0.047","0.0393","","","0.0917","0.095","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233893","13.3344","0.0017","5.0484","0.0006","25.767","0.003","90","","98.25","0.002","90","","1716.6","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Methoxy-N'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","2","IS5059","Fun, Hoong-Kun; Promdet, Premrudee; Horkaew, Jirapa; Chantrapromma, Suchada","(E)-4-Methoxy-N'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o562","o563","10.1107/S1600536812003534","","","0.71073","MoKα","","0.1084","0.09","","","0.2581","0.2753","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233926","8.2882","0.0004","9.0722","0.0004","10.0179","0.0005","90","","91.882","0.001","90","","752.86","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)","","- C12 H14 Cr2 N2 O7 -","- C12 H14 Cr2 N2 O7 -","- C24 H28 Cr4 N4 O14 -","2","1","LH5410","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Kia, Mehdi; Rheingold, Arnold L.; Golen, James A.","1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)","Acta Crystallographica Section E","2012","68","3","m305","","10.1107/S1600536812005430","","","0.71073","MoKα","","0.0285","0.0273","","","0.0661","0.0673","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233929","5.8772","0.0016","10.892","0.002","12.562","0.002","90","","100.29","0.02","90","","791.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,4-Dimethylpiperazinium 3-hydroxy-2-naphthoate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","LH5414","Craig, Gemma E.; Johnson, Carla; Kennedy, Alan R.","1,4-Dimethylpiperazin-1-ium 3-hydroxy-2-naphthoate","Acta Crystallographica Section E","2012","68","3","o787","","10.1107/S1600536812005375","","","0.71073","MoKα","","0.0871","0.0456","","","0.1061","0.1208","","","","","","0.829","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233968","11.722","0.002","9.227","0.0018","19.615","0.004","90","","104.52","0.03","90","","2053.8","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2,3,4-tri-O-acetyl-β-D-xyloside","","- C19 H19 N O10 -","- C19 H19 N O10 -","- C76 H76 N4 O40 -","4","2","RK2311","Tian, Runan; Haoriqinbatu; Liu, Hongchang; Wang, Xiaoming; Yang, Yonghua","1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2,3,4-tri-O-acetyl-β-D-xyloside","Acta Crystallographica Section E","2012","68","3","o635","","10.1107/S1600536812004369","","","0.71073","MoKα","","0.0723","0.0474","","","0.1182","0.1312","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233993","11.1716","0.0007","19.4025","0.0012","12.0025","0.0007","90","","106.245","0.001","90","","2497.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate","","- C41 H81.86 N O16.43 S2 -","- C41 H81.864 N O16.432 S2 -","- C82 H163.728 N2 O32.864 S4 -","2","1","SJ5188","Brüning, Jürgen; Trepte, Tanja K.; Bats, Jan W.; Schmidt, Martin U.","Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate","Acta Crystallographica Section E","2012","68","3","o700","o701","10.1107/S1600536812005223","","","0.71073","MoKα","","0.099","0.0621","","","0.1269","0.1422","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2234023","6.6942","0.0001","16.058","0.0004","10.9672","0.0003","90","","98.693","0.002","90","","1165.38","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Secohellebrigeninamide","","- C26 H37 N O5 -","- C26 H37 N O4.998 -","- C52 H74 N2 O9.996 -","2","1","VM2153","Yuan, Xiao-Feng; Tian, Hai-Yan; Li, Jin-Hang; Yu, Tong; Jiang, Ren-Wang","Secohellebrigeninamide","Acta Crystallographica Section E","2012","68","3","o682","","10.1107/S160053681200520X","","","1.54184","CuKα","","0.0471","0.0458","","","0.1279","0.1298","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234057","8.038","0.003","5.678","0.002","12.656","0.005","90","","105.476","0.004","90","","556.7","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3R,6R)-6-methyl-2,5-dioxomorpholin-3-yl]- N-(propan-2-yl)acetamide","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","1","YK2036","Lu, De-dai; Zhang, Hu; Luo, Juan; Yang, Li-qiang; Duan, Peng-xue","2-[(3R,6R)-6-Methyl-2,5-dioxomorpholin-3-yl]-N-(propan-2-yl)acetamide","Acta Crystallographica Section E","2012","68","3","o896","","10.1107/S1600536812007945","","","0.71073","MoKα","","0.0436","0.0362","","","0.0818","0.085","","","","","","1.16","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234108","4.8272","0.0005","32.617","0.004","6.0585","0.0007","90","","105.995","0.001","90","","916.97","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-Diaquabis(L-phenylalaninato- κ^2^N,O)nickel(II)","","- C18 H24 N2 Ni O6 -","- C18 H24 N2 Ni O6 -","- C36 H48 N4 Ni2 O12 -","2","1","BR2191","Ghorbanloo, Massomeh; Shahbakhsh, Nahid; Choquesillo-Lazarte, Duane","trans-Diaquabis(L-phenylalaninato-κ^2^N,O)nickel(II)","Acta Crystallographica Section E","2012","68","4","m446","","10.1107/S160053681201080X","","","0.71073","MoKα","","0.0237","0.0232","","","0.0577","0.058","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234127","11.1489","0.0002","25.8458","0.0004","12.5941","0.0003","90","","110.263","0.002","90","","3404.43","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dicarbonyl{3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κP]biphenyl}hydridorhodium(I) diethyl ether monosolvate","","- C80 H79 O11 P2 Rh -","- C80 H79 O11 P2 Rh -","- C160 H158 O22 P4 Rh2 -","2","1","BT5848","Selent, Detlef; Spannenberg, Anke; Börner, Armin","Dicarbonyl{3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κP]biphenyl}hydridorhodium(I) diethyl ether monosolvate","Acta Crystallographica Section E","2012","68","4","m488","","10.1107/S1600536812011786","","","0.71073","MoKα","","0.0326","0.0277","","","0.0617","0.0625","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234203","6.251","0.004","6.179","0.003","10.259","0.006","90","","107.72","0.02","90","","377.5","0.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","(D-penicillaminato)lead(II)","catena-poly[(μ-2-amino-3-methyl-3-sulfidobutanoato)lead(II)]","","- C5 H9 N O2 Pb S -","- C5 H9 N O2 Pb S -","- C10 H18 N2 O4 Pb2 S2 -","2","1","HB6608","Schell, Adam C.; Parvez, Masood; Jalilehvand, Farideh","Redetermination of (D-penicillaminato)lead(II)","Acta Crystallographica Section E","2012","68","4","m489","m490","10.1107/S1600536812011877","","","0.71073","MoKα","","0.0363","0.0323","","","0.0816","0.0846","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234231","5.4116","0.0001","25.5513","0.0008","9.8615","0.0003","90","","101.641","0.002","90","","1335.54","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1- phenylbutan-2-yl]carbamate","","- C28 H33 F N2 O5 S -","- C28 H33 F N2 O5 S -","- C56 H66 F2 N4 O10 S2 -","2","1","HB6679","Moreth, Marcele; de Souza, Marcus V.N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1-phenylbutan-2-yl]carbamate","Acta Crystallographica Section E","2012","68","4","o1138","o1139","10.1107/S1600536812011440","","","0.71073","MoKα","","0.0547","0.0424","","","0.0956","0.1027","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234236","9.2343","0.0004","8.7162","0.0004","11.0798","0.0005","90","","108.197","0.002","90","","847.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-Methylideneandrost-4-ene-3,17-dione","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","HB6686","Andrade, L. C. R.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.","6-Methylideneandrost-4-ene-3,17-dione","Acta Crystallographica Section E","2012","68","4","o1263","","10.1107/S1600536812013207","","","0.71073","MoKα","","0.0671","0.0398","","","0.0891","0.1002","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234325","7.6603","0.0003","15.7249","0.0006","20.8434","0.0008","90","","94.069","0.002","90","","2504.41","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","3β-Chloro-5α-cholestan-6-one","","- C27 H45 Cl O -","- C27 H45 Cl O -","- C108 H180 Cl4 O4 -","4","2","LH5434","Yusufzai, Samina Khan; Osman, Hasnah; Rahim, Aisyah Saad Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Chloro-5α-cholestan-6-one","Acta Crystallographica Section E","2012","68","4","o1211","o1212","10.1107/S1600536812012482","","","0.71073","MoKα","","0.098","0.0666","","","0.1598","0.1789","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234347","7.4419","0.0004","18.4394","0.0008","8.3517","0.0004","90","","108.301","0.005","90","","1088.09","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Doxylaminium (R,R)-tartrate","(R)-dimethyl{2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl}azanium (R,R)-3-carboxy-2,3-dihydroxypropanoate","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C42 H56 N4 O14 -","2","1","NR2021","Dayananda, A.S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","(R)-Doxylaminium (R,R)-tartrate","Acta Crystallographica Section E","2012","68","4","o1054","o1055","10.1107/S160053681200935X","","","0.7107","MoKα","","0.0406","0.0354","","","0.0752","0.079","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234358","4.0956","0.0005","13.3066","0.0017","13.3656","0.0016","90","","92.711","0.007","90","","727.59","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4',5-dichloro-2-hydroxy-4,6-dimethylbiphenyl-3-carboxylate","","- C16 H14 Cl2 O3 -","- C16 H14 Cl2 O3 -","- C32 H28 Cl4 O6 -","2","1","PV2517","Adeel, Muhammad; Langer, Peter; Hein, Martin; Reinke, Helmut","Methyl 4',5-dichloro-2-hydroxy-4,6-dimethylbiphenyl-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1224","","10.1107/S1600536812012676","","","0.71073","MoKα","","0.0385","0.0302","","","0.07","0.0742","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234380","7.893","0.002","7.034","0.002","12.166","0.004","90","","101.154","0.003","90","","662.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","RN2102","Gao, Xue; Chen, Gang","5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide","Acta Crystallographica Section E","2012","68","4","o1208","","10.1107/S1600536812012470","","","0.71073","MoKα","","0.0427","0.036","","","0.0799","0.0835","","","","","","1.082","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234385","10.1013","0.0003","5.7749","0.0002","11.2295","0.0003","90","","95.207","0.001","90","","652.36","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","7-oxo-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl acetate","8-O-Acetyl-8-epi-9-deoxygoniopypyrone","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","RZ2717","Fun, Hoong-Kun; Chantrapromma, Suchada; Prawat, Uma; Boonnak, Nawong; Razak, Ibrahim Abdul","8-O-Acetyl-8-epi-9-deoxygoniopypyrone","Acta Crystallographica Section E","2012","68","4","o1072","o1073","10.1107/S1600536812010483","","","0.71073","MoKα","","0.0274","0.0267","","","0.0732","0.0738","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234387","8.7676","0.0008","6.4662","0.0006","11.1677","0.0012","90","","105.29","0.001","90","","610.72","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Anilino-1-(isopropylamino)propan-2-ol","","- C12 H20 N2 O -","- C12 H20 N2 O -","- C24 H40 N4 O2 -","2","1","RZ2719","Hou, Xuehui; Hu, Ping; Lv, Quanjian","3-Anilino-1-(isopropylamino)propan-2-ol","Acta Crystallographica Section E","2012","68","4","o1264","","10.1107/S1600536812013256","","","0.71073","MoKα","","0.0695","0.0458","","","0.1048","0.1156","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234409","12.261","0.003","4.52","0.0009","15.656","0.003","90","","112.27","0.03","90","","802.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R*,5R*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C30 H34 N2 O16 -","2","1","SU2384","Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai","(4R*,5R*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate","Acta Crystallographica Section E","2012","68","4","o1128","","10.1107/S160053681201118X","","","0.71073","MoKα","","0.058","0.0459","","","0.13","0.1421","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234476","6.7713","0.0016","8.917","0.002","20.339","0.005","90","","92.489","0.004","90","","1226.9","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- ylidene)(4-nitrophenyl)methyl]amino}-3-phenylpropanoate","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","YK2041","Zhang, Xin; Sun, Chen; Li, Fei-ran; Zhang, Hua","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)(4-nitrophenyl)methyl]amino}-3-phenylpropanoate","Acta Crystallographica Section E","2012","68","4","o1062","","10.1107/S1600536812010343","","","0.71073","MoKα","","0.0551","0.0399","","","0.0967","0.1062","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234488","10.9397","0.0001","9.4251","0.0001","15.4833","0.001","90","","96.414","0.007","90","","1586.46","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Deoxy-1,2-di-O-isopropylidene-5-O-tosyl-D-threo- pentofuranose","","- C15 H20 O6 S -","- C15 H20 O6 S -","- C60 H80 O24 S4 -","4","2","ZL2463","Doboszewski, Bogdan; e Silva, Maria J.; Nazarenko, Alexander Y.; Nemykin, Victor N.","3-Deoxy-1,2-di-O-isopropylidene-5-O-tosyl-D-threo-pentofuranose","Acta Crystallographica Section E","2012","68","4","o1109","o1110","10.1107/S1600536812010884","","","1.54187","CuKα","","0.0378","0.0343","","","0.0829","0.0865","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234567","6.6873","0.0013","12.433","0.003","6.9298","0.0014","90","","116.96","0.03","90","","513.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4-Aza-1-azoniabicyclo[2.2.2]octane-κN^4^)trichloridocobalt(II)","","- C6 H13 Cl3 Co N2 -","- C6 H13 Cl3 Co N2 -","- C12 H26 Cl6 Co2 N4 -","2","1","CV5276","Zhou, Qinqin; Zhu, Bo-Han","(4-Aza-1-azoniabicyclo[2.2.2]octane-κN^4^)trichloridocobalt(II)","Acta Crystallographica Section E","2012","68","5","m675","","10.1107/S1600536812017199","","","0.71073","MoKα","","0.025","0.0238","","","0.0531","0.0537","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234642","5.9082","0.0005","18.8626","0.0015","9.0088","0.0007","90","","91.867","0.002","90","","1003.44","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,R)-4,4'-dibromo-2,2'- [cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","1","HB6734","Ha, Kwang","A monoclinic polymorph of (R,R)-4,4'-dibromo-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","5","o1449","","10.1107/S1600536812016376","","","0.71073","MoKα","","0.0765","0.039","","","0.0814","0.1083","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234646","3.9829","0.0008","9.095","0.0019","12.122","0.003","90","","95.162","0.009","90","","437.33","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-bromo-2-hydroxybenzoate","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C16 H14 Br2 O6 -","2","1","HB6740","Mustafa, Ghulam; Khan, Islam Ullah; Ashiq, Muhammad Zar; Akkurt, Mehmet","Methyl 5-bromo-2-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1467","","10.1107/S1600536812016297","","","0.71073","MoKα","","0.0879","0.0584","","","0.127","0.1423","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234694","6.1984","0.0002","17.0998","0.0004","13.7007","0.0003","90","","91.036","0.001","90","","1451.92","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Xerophenone A","(1R,3R,4R,6S,8E,10R)-10-hydroxy-8- [hydroxy(phenyl)methylene]-4-methyl-1,6-bis(3-methylbut-2-en-1-yl)-3-(3- methylbut-3-en-1-yl)-11-oxatricyclo[4.3.1.1^4,10^]undecane-7,9-dione","","- C33 H42 O5 -","- C33 H42 O5 -","- C66 H84 O10 -","2","1","IS5112","Fun, Hoong-Kun; Tantapakul, Cholpisut; Laphookhieo, Surat; Boonnak, Nawong; Chantrapromma, Suchada","Absolute configuration of xerophenone A","Acta Crystallographica Section E","2012","68","5","o1451","o1452","10.1107/S1600536812015267","","","1.54178","CuKα","","0.0371","0.0365","","","0.0985","0.099","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234697","10.4357","0.0006","12.4953","0.0008","12.8706","0.0005","90","","107.019","0.003","90","","1604.79","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-5,5-dimethylcyclohex-2-enone","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","IS5115","Ghorab, Mostafa M.; Al-Said, Mansour S.; Alqasoumi, Saleh I.; Chia, Tze Shyang; Fun, Hoong-Kun","3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2012","68","5","o1436","o1437","10.1107/S160053681201570X","","","1.54178","CuKα","","0.0699","0.0515","","","0.1391","0.1504","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234721","9.282","0.002","15.849","0.004","14.711","0.004","90","","108.048","0.004","90","","2057.7","0.9","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(μ-4-Bromo-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^)-μ-chlorido- bis[bis(4-bromo-3,5-dimethylpyrazole-κN^2^)chloridocopper(II)] acetonitrile monosolvate","","- C27 H37 Br5 Cl3 Cu2 N11 -","- C27 H37 Br5 Cl3 Cu2 N11 -","- C54 H74 Br10 Cl6 Cu4 N22 -","2","1","LH5445","Wei, Wei; Xu, Yanhui","(μ-4-Bromo-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^)-μ-chlorido-bis[bis(4-bromo-3,5-dimethylpyrazole-κN^2^)chloridocopper(II)] acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","5","m557","","10.1107/S160053681201402X","","","0.71073","MoKα","","0.0284","0.0244","","","0.0352","0.036","","","","","","0.875","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234731","5.936","0.0003","8.1992","0.0004","15.9068","0.0008","90","","91.222","0.003","90","","774.02","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C32 H28 N4 O8 S2 -","2","1","LH5455","Mustafa, Ghulam; Akkurt, Mehmet; Khan, Islam Ullah; Muhmood, Tahir","Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1488","","10.1107/S1600536812017126","","","0.71073","MoKα","","0.0707","0.0461","","","0.0957","0.1064","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234744","10.3039","0.0004","24.9425","0.001","11.574","0.0004","90","","93.197","0.001","90","","2969.95","0.19","187","2","187","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tris(μ-4,4'-bipyridine-κ^2^N:N')bis(μ-L- lysinato-κ^3^N^1^,O^1^:O^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]","","- C48 H67.2 N16 O18.6 Zn2 -","- C48 H67.2 N16 O18.6 Zn2 -","- C96 H134.4 N32 O37.2 Zn4 -","2","1","NK2149","Li, Shu-Qiang; Hu, Ning-Hai","Poly[[tris(μ-4,4'-bipyridine-κ^2^N:N')bis(μ-L-lysinato-κ^3^N^1^,O^1^:O^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]","Acta Crystallographica Section E","2012","68","5","m633","m634","10.1107/S1600536812016121","","","0.71073","MoKα","","0.0464","0.0414","","","0.1032","0.1067","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234750","6.8289","0.0006","7.0433","0.0006","26.618","0.003","90","","92.335","0.004","90","","1279.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2E,6R,7aR)-1,6-Dihydroxy-2- (4-nitrobenzylidene)-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","2","PV2525","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1S,2E,6R,7aR)-1,6-Dihydroxy-2-(4-nitrobenzylidene)-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","5","o1570","o1571","10.1107/S1600536812018235","","","1.54178","CuKα","","0.0255","0.025","","","0.0664","0.0673","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234759","9.4988","0.0019","6.0803","0.0012","12.109","0.002","90","","95.21","0.03","90","","696.5","0.2","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydroxyanilinium 3,5-dinitrobenzoate","","- C13 H11 N3 O7 -","- C13 H11 N3 O7 -","- C26 H22 N6 O14 -","2","1","QK2032","Zhao, Qun","2-Hydroxyanilinium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","5","o1535","","10.1107/S1600536812014973","","","0.71073","MoKα","","0.1144","0.0835","","","0.1998","0.2176","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234798","7.7899","0.0004","10.1254","0.0005","13.0136","0.0007","90","","91.156","0.002","90","","1026.25","0.09","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","All-cis-4,6-diamino-cyclohexane-1,2,3-triol dihydrochloride","1,3-diammonio-1,2,3-trideoxy-cis-inositol dichloride","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C24 H64 Cl8 N8 O12 -","4","2","SJ5213","Neis, Christian; Merten, Günter J.; Altenhofer, Philipp; Hegetschweiler, Kaspar","Redetermination of 1,3-diammonio-1,2,3-trideoxy-cis-inositol dichloride","Acta Crystallographica Section E","2012","68","5","o1411","o1412","10.1107/S1600536812012366","","","0.71073","MoKα","","0.0176","0.0174","","","0.0471","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234886","3.7219","0.0012","16.429","0.005","7.791","0.002","90","","97.167","0.006","90","","472.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-[4-(1H-Imidazol-1-yl)phenyl]-1H-tetrazole","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","ZS2194","Tong, Shao-Wei; Song, Wen-Dong; Li, Shi-Jie; Miao, Dong-Liang; An, Jing-Bo","5-[4-(1H-Imidazol-1-yl)phenyl]-1H-tetrazole","Acta Crystallographica Section E","2012","68","5","o1274","","10.1107/S1600536812013670","","","0.71073","MoKα","","0.0495","0.0392","","","0.0906","0.1198","","","","","","1.347","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234938","9.6216","0.0002","4.9206","0.0001","12.1623","0.0003","90","","106.628","0.002","90","","551.73","0.02","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methylsulfonyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","","- C10 H8 N4 O3 S -","- C10 H8 N4 O3 S -","- C20 H16 N8 O6 S2 -","2","1","BT5915","Al-Salahi, Rashad; Marzouk, Mohamed; Abbas, Mohammed; Ng, Seik Weng","2-Methylsulfonyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1806","","10.1107/S1600536812021769","","","1.54184","CuKα","","0.0311","0.0299","","","0.0807","0.082","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234968","5.227","0.005","7.364","0.005","17.493","0.005","90","0.005","95.232","0.005","90","0.005","670.5","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Alanine‒(S)-2-phenoxypropionic acid (1/1)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","DS2190","Amimoto, Kiichi; Nishioka, Yuma","(S)-Alanine‒(S)-2-phenoxypropionic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1720","","10.1107/S1600536812020727","","","0.71069","MoKα","","0.0298","0.0294","","","","0.0812","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234975","11.219","0.0011","14.3742","0.0016","12.0189","0.0013","90","","96.43","0.001","90","","1926","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrakis(ethyl pyridine-4-carboxylate-κN)bis(thiocyanato-κN)cobalt(II)","","- C34 H36 Co N6 O8 S2 -","- C34 H36 Co N6 O8 S2 -","- C68 H72 Co2 N12 O16 S4 -","2","1","EZ2290","Feng, Xiu-Ling; Zhang, Yu-Ping","Tetrakis(ethyl pyridine-4-carboxylate-κN)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2012","68","6","m786","","10.1107/S1600536812021988","","","0.71073","MoKα","","0.0874","0.0474","","","0.0996","0.1221","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234992","5.1851","0.0004","21.408","0.002","5.6833","0.0004","90","","98.01","0.007","90","","624.71","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-Methylbenzyl)-3-nitroaniline","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","FJ2555","Daković, Marijana; Portada, Tomislav; Klačić, Tin","N-(4-Methylbenzyl)-3-nitroaniline","Acta Crystallographica Section E","2012","68","6","o1967","","10.1107/S1600536812024348","","","0.71073","MoKα","","0.0638","0.0459","","","0.1097","0.1165","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234997","7.5864","0.0003","7.4083","0.0003","13.7673","0.0006","90","","105.337","0.002","90","","746.2","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-[2-({N-[(2S)-2-ammoniopropanoyl]glycyl}amino)ethyl]-1H- imidazol-3-ium dichloride","L-Alanylglycylhistamine dihydrochloride","","- C10 H19 Cl2 N5 O2 -","- C10 H19 Cl2 N5 O2 -","- C20 H38 Cl4 N10 O4 -","2","1","FY2052","Selmeczi, Katalin; Gizzi, Patrick; Wenger, Emmanuel; Henry, Bernard","L-Alanylglycylhistamine dihydrochloride","Acta Crystallographica Section E","2012","68","6","o1917","o1918","10.1107/S1600536812023562","","","0.71073","MoKα","","0.0298","0.0271","","","0.0678","0.07","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235101","7.5243","0.0003","14.1861","0.0006","12.4488","0.0006","90","","107.508","0.001","90","","1267.23","0.1","100","1","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one","","- C13 H11 Br N2 O S -","- C13 H11 Br N2 O S -","- C52 H44 Br4 N8 O4 S4 -","4","2","IS5131","Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.; Chia, Tze Shyang; Fun, Hoong-Kun","1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1738","o1739","10.1107/S160053681201954X","","","0.71073","MoKα","","0.0305","0.0265","","","0.0498","0.0508","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235237","10.1705","0.0006","20.749","0.0012","12.3584","0.0007","90","","109.241","0.001","90","","2462.3","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","[μ-Bis(di-o-tolylphosphanyl)methane- 1:2κ^2^P:P']nonacarbonyl- 1κ^3^C,2κ^3^C,3κ^3^C-[tris(2-chloroethyl) phosphite-3κP]-triangulo-triruthenium(0)","","- C44 H42 Cl3 O12 P3 Ru3 -","- C44 H42 Cl3 O12 P3 Ru3 -","- C88 H84 Cl6 O24 P6 Ru6 -","2","1","RZ2762","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(di-o-tolylphosphanyl)methane-1:2κ^2^P:P']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-[tris(2-chloroethyl) phosphite-3κP]-triangulo-triruthenium(0)","Acta Crystallographica Section E","2012","68","6","m838","m839","10.1107/S1600536812023707","","","0.71073","MoKα","","0.0161","0.0159","","","0.0414","0.0415","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235242","10.7628","0.0004","6.6016","0.0002","14.6376","0.0005","90","","94.224","0.003","90","","1037.2","0.06","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","14,15-Didehydrohellebrigenin","","- C24 H30 O5 -","- C24 H30 O5 -","- C48 H60 O10 -","2","1","SU2412","Yu, Tong; Tian, Hai-Yan; Yuan, Xiao-Feng; Hu, Shu-Zhi; Jiang, Ren-Wang","14,15-Didehydrohellebrigenin","Acta Crystallographica Section E","2012","68","6","o1614","o1615","10.1107/S1600536812018570","","","1.54184","CuKα","","0.0458","0.0415","","","0.1104","0.1152","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235250","6.8472","0.0017","4.8269","0.0016","21.414","0.003","90","","96.696","0.002","90","","702.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxy-N'-(3-nitrobenzylidene)benzohydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","SU2422","Hou, Jin-Long; Bi, Ye","4-Methoxy-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1725","","10.1107/S1600536812020454","","","0.71073","MoKα","","0.0404","0.0343","","","0.0806","0.0849","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235262","6.4594","0.0013","4.5998","0.0013","20.598","0.005","90","","95.08","0.04","90","","609.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Amino-N'-(2-nitrobenzylidene)benzohydrazide","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C28 H24 N8 O6 -","2","1","TK5092","Shi, Zhong-Feng; Li, Jia-Ming","(E)-4-Amino-N'-(2-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1726","","10.1107/S1600536812020855","","","0.71073","MoKα","","0.0471","0.0448","","","0.1092","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235289","7.434","0.003","10.554","0.004","13.537","0.005","90","","103.118","0.005","90","","1034.4","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","17βH-periplogenin","4-[(3S,5S,8R,9S,10R,13R,14S,17S)-3,5,14-trihydroxy-10,13-dimethyl-hexadecahydro-1H- cyclopenta[a]phenanthren-17-yl]furan-2(5H)-one","","- C23 H34 O5 -","- C23 H34 O5 -","- C46 H68 O10 -","2","1","WN2470","Zhang, Yu-Wei; Bao, Yong-Li; Wu, Yin; Yu, Chun-Lei; Li, Yu-Xin","17βH-Periplogenin, a cardiac aglycone from the root bark of Periploca sepium Bunge","Acta Crystallographica Section E","2012","68","6","o1582","o1583","10.1107/S1600536812018521","","","0.71073","MoKα","","0.1187","0.0526","","","0.1016","0.1259","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235389","5.7443","0.0008","21.558","0.003","9.0075","0.0011","90","","95.074","0.006","90","","1111.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2'-((1E,1'E)-(((2S,3S)-1,4-dioxaspiro[4.5]decane-2,3-diylbis(methylene)) bis(azanylylidene))bis(methanylylidene))diphenol","2-[(E)-({3-[(E)-(2-Hydroxybenzylidene)aminomethyl]- 1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","BX2417","Jiang, Yan; Wang, Lili; Bian, Jing; Du, Xiaoying; Sun, Xiaoqiang","2-[(E)-({3-[(E)-(2-Hydroxybenzylidene)aminomethyl]-1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","7","o2296","","10.1107/S1600536812029182","","","0.71073","MoKα","","0.0795","0.0566","","","0.152","0.1687","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235425","11.6919","0.0005","10.5844","0.0004","27.323","0.0011","90","","101.226","0.001","90","","3316.6","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholesteryl p-ethoxycinnamate","Cholest-5-en-3β-yl 3-(4-ethoxyphenyl)prop-2-enoate","","- C38 H56 O3 -","- C38 H56 O3 -","- C152 H224 O12 -","4","2","GK2477","Bugenhagen, Bernhard; Munk, Ariane; Vill, Volkmar; Al-Jasem, Yosef; Thiemann, Thies","Cholest-5-en-3β-yl 3-(4-ethoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2012","68","7","o2064","","10.1107/S160053681202452X","","","0.71073","MoKα","","0.0463","0.0406","","","0.1042","0.1084","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235426","11.8299","0.0005","6.9788","0.0003","12.1306","0.0004","90","","112.765","0.002","90","","923.47","0.06","293","2","293","2","98.6","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diphenyl-8-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline","","- C23 H14 F3 N3 -","- C23 H14 F3 N3 -","- C46 H28 F6 N6 -","2","1","GK2493","Szlachcic, Paweł; Stadnicka, Katarzyna","1,3-Diphenyl-8-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline","Acta Crystallographica Section E","2012","68","7","o2287","","10.1107/S1600536812028206","","","0.71073","MoKα","","0.0611","0.0442","","0.1037","","0.1037","","","1.051","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235457","6.121","0.0012","18.134","0.004","7.0006","0.0014","90","","90.22","0.03","90","","777","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Piperazine-1,4-diium (R)-2-[4-(1-carboxylatomethoxy)phenoxy]propanoate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","HB6827","Ye, Han-Tao; Ren, Chang-Yue; Gao, Jin-Sheng","Piperazine-1,4-diium (R)-2-[4-(1-carboxylatomethoxy)phenoxy]propanoate","Acta Crystallographica Section E","2012","68","7","o2159","","10.1107/S1600536812027213","","","0.71073","MoKα","","0.033","0.0289","","","0.0727","0.0743","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235496","10.3943","0.0002","6.6089","0.0002","10.6563","0.0003","90","","94.982","0.002","90","","729.27","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-(3,5-dimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C28 H32 N4 O8 S2 -","2","1","HG5223","Bhatt, Nilay; Bhatt, Pralav; Vyas, Kartik B.; Nimavat, Kiran; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Ethyl 2-(3,5-dimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoate","Acta Crystallographica Section E","2012","68","7","o2160","","10.1107/S1600536812024907","","","0.71073","MoKα","","0.0305","0.0265","","","0.0647","0.0668","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235538","6.7996","0.0004","13.3136","0.0008","11.3167","0.0008","90","","94.449","0.005","90","","1021.38","0.11","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)- 1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide","","- C23 H28 Br N O -","- C23 H28 Br N O -","- C46 H56 Br2 N2 O2 -","2","1","LD2065","Rybakov, Victor B.; Belov, Dmitry S.; Lukyanenko, Evgeny R.; Kurkin, Alexander V.; Yurovskaya, Marina A.","(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide","Acta Crystallographica Section E","2012","68","7","o2227","","10.1107/S1600536812028073","","","0.71073","MoKα","","0.0694","0.043","","","0.094","0.1043","","","","","","0.974","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235539","9.6627","0.0005","12.1821","0.0007","10.9665","0.0006","90","","109.584","0.001","90","","1216.21","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[trans-bis(cyclohexane-1,2-diamine- κ^2^N,N)cadmium]-μ-iodido-(diiodidocadmium)-μ-iodido]","","- C12 H28 Cd2 I4 N4 -","- C12 H28 Cd2 I4 N4 -","- C24 H56 Cd4 I8 N8 -","2","1","LH5467","Cui, Sheng-Feng; Wen, Qin-Mei; Zhou, Cheng-He","catena-Poly[[trans-bis(cyclohexane-1,2-diamine-κ^2^N,N)cadmium]-μ-iodido-(diiodidocadmium)-μ-iodido]","Acta Crystallographica Section E","2012","68","7","m889","","10.1107/S1600536812024828","","","0.71073","MoKα","","0.0219","0.0214","","","0.0495","0.0497","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235544","10.1715","0.0002","6.1169","0.0001","11.515","0.0003","90","","110.332","0.002","90","","671.8","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C28 H40 N4 O4 S2 -","2","1","LH5485","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.","N-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2032","","10.1107/S1600536812025421","","","1.54184","CuKα","","0.0243","0.0242","","","0.0658","0.066","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235581","8.6224","0.0002","7.114","0.0001","10.021","0.0002","90","","106.707","0.002","90","","588.74","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(11R,12S)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca- 2(7),3,5,9(14),10,12-hexaen-15-ol","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","PV2558","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.","(11R,12S)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ol","Acta Crystallographica Section E","2012","68","7","o2137","","10.1107/S1600536812026542","","","1.54184","CuKα","","0.0292","0.029","","","0.0769","0.0771","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235584","6.5442","0.0008","11.0267","0.0014","8.0991","0.001","90","","111.402","0.002","90","","544.14","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-Hydroxy-6-[(E)-2-phenylethenyl]-5,6-dihydro-2H-pyran-2-one","","- C13 H12 O3 -","- C13 H12 O3 -","- C26 H24 O6 -","2","1","PV2562","Jusoh, Samsiah; Din, Laily B.; Zakaria, Zuriati; Khaledi, Hamid","5-Hydroxy-6-[(E)-2-phenylethenyl]-5,6-dihydro-2H-pyran-2-one isolated from Goniothalamus ridleyi","Acta Crystallographica Section E","2012","68","7","o2274","","10.1107/S1600536812028334","","","0.71073","MoKα","","0.0277","0.0267","","","0.0678","0.0689","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235619","6.0798","0.0002","4.8565","0.0001","15.1126","0.0005","90","","98.003","0.002","90","","441.88","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Bromophenyl)acetohydrazide","","- C8 H9 Br N2 O -","- C8 H9 Br N2 O -","- C16 H18 Br2 N4 O2 -","2","1","SU2429","Ahmad, Shakeel; Jabbar, Abdul; Hussain, Muhammad Tahir; Tahir, M. Nawaz","2-(4-Bromophenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2269","","10.1107/S1600536812027006","","","0.71073","MoKα","","0.0264","0.0233","","","0.0575","0.0585","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235678","10.0176","0.0004","11.7075","0.0005","14.3449","0.0005","90","","92.528","0.003","90","","1680.75","0.11","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","8-O-Ethylyunaconitine","(1α,3α,6α,8β,13β,14α,16β)-20-ethyl-8-ethoxy-3,13-dihydroxy-1,6,16- trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate","","- C35 H51 N O10 -","- C35 H51 N O10 -","- C70 H102 N2 O20 -","2","1","XU5540","Wu, San-Lin; Liu, Fang","8-O-Ethylyunaconitine from the roots of Aconitum carmichaeli Debx.","Acta Crystallographica Section E","2012","68","7","o2238","","10.1107/S1600536812026463","","","0.7107","MoKα","","0.0725","0.0527","","","0.1116","0.1313","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235740","4.7376","0.0005","13.27","0.002","11.7265","0.0016","90","","98.459","0.004","90","","729.2","0.17","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Amino-N'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","BQ2366","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-4-Amino-N'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","8","o2321","o2322","10.1107/S1600536812026633","","","0.71073","MoKα","","0.0446","0.0353","","","0.0796","0.0852","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235745","7.538","0.0003","12.6705","0.0006","7.9255","0.0004","90","","91.776","0.004","90","","756.6","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","BT5939","Romero, Oscar; Ramírez, Johana; Terán, Joel L.; Flores-Alamo, Marcos; Juárez, Jorge R.","(R)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one","Acta Crystallographica Section E","2012","68","8","o2356","","10.1107/S1600536812025433","","","0.71073","MoKα","","0.0494","0.0441","","","","0.1141","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235759","9.1876","0.0002","19.5284","0.0005","17.9187","0.0005","90","","102.658","0.002","90","","3136.82","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S,4R)-3,4-Isopropylidenedioxy-2- (phenylsulfonylmethyl)pyrrolidin-1-ol","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C112 H152 N8 O40 S8 -","8","4","BT5981","Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(2R,3S,4R)-3,4-Isopropylidenedioxy-2-(phenylsulfonylmethyl)pyrrolidin-1-ol","Acta Crystallographica Section E","2012","68","8","o2560","","10.1107/S1600536812033028","","","1.54178","CuKα","","0.0519","0.0484","","","0.1314","0.1347","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235789","5.864","0.0002","13.4454","0.0005","8.0118","0.0003","90","","92.258","0.002","90","","631.19","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2R)-1-[(E)-(Thiophen-2-ylmethylidene)amino]indan-2-ol","","- C14 H13 N O S -","- C14 H13 N O S -","- C28 H26 N2 O2 S2 -","2","1","FF2077","Go, Min Jeong; Park, Ka Hyun; Lee, Hwi Hyun; Lee, Junseong","(1S,2R)-1-[(E)-(Thiophen-2-ylmethylidene)amino]indan-2-ol","Acta Crystallographica Section E","2012","68","8","o2568","","10.1107/S1600536812032783","","","0.71073","MoKα","","0.0481","0.0434","","","0.1242","0.1305","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235798","16.8655","0.0002","21.0838","0.0005","7.0741","0.0005","90","","90.817","0.002","90","","2515.22","0.19","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","4","FK2064","Khalaji, Aliakbar Dehno; Nikookar, Mahsa; Fejfarová, Karla; Dušek, Michal","2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","8","o2445","o2446","10.1107/S1600536812031212","","","1.5418","CuKα","","0.0365","0.0329","","","0.0837","0.0867","","","","","","1.38","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235807","10.3396","0.0006","7.6466","0.0004","29.9511","0.0017","90","","97.207","0.005","90","","2349.3","0.2","136","2","136","2","","","","","","","","3","P 1 21 1","P 2yb","4","Diosgenone","(20S,22R,25R)-Spirost-4-en-3-one","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","2","GG2086","Hernández Linares, María-Guadalupe; Guerrero-Luna, Gabriel; Bernès, Sylvain; Flores-Alamo, Marcos; Fernández-Herrera, María A.","Diosgenone: a second P2~1~ polymorph","Acta Crystallographica Section E","2012","68","8","o2358","","10.1107/S160053681202908X","","","0.71073","MoKα","","0.0818","0.0519","","","0.0877","0.0985","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235822","10.0534","0.0009","13.0076","0.0012","23.808","0.002","90","","102.076","0.001","90","","3044.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-tert-Butyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)- 1,3-thiazole","","- C16 H20 N2 S -","- C16 H20 N2 S -","- C128 H160 N16 S8 -","8","4","GW2121","Pawar, Sunayna; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(S)-4-tert-Butyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","Acta Crystallographica Section E","2012","68","8","o2487","","10.1107/S160053681203173X","","","0.71073","MoKα","","0.11","0.0918","","","0.2818","0.2993","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235826","9.417","0.004","9.33","0.004","14.449","0.006","90","","100.127","0.005","90","","1249.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E,6E)-2,6-Bis(ferrocenylmethylidene)cyclohexanone dichloromethane monosolvate","","- C29 H28 Cl2 Fe2 O -","- C29 H28 Cl2 Fe2 O -","- C58 H56 Cl4 Fe4 O2 -","2","1","HB6805","Long, Shi-Jia; Yang, Wu; Liu, Yong-Hong","(2E,6E)-2,6-Bis(ferrocenylmethylidene)cyclohexanone dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1064","","10.1107/S1600536812030899","","","0.71073","MoKα","","0.0856","0.0516","","","0.1098","0.1274","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235858","9.3257","0.0019","9.1312","0.0018","11.652","0.002","90","","101.344","0.004","90","","972.8","0.3","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^N:N')[μ~3~-3-bromo-2- (carboxylatomethyl)benzoato-κ^3^O^1^:O^1'^:O^2^]cadmium] monohydrate]","","- C19 H17 Br Cd N2 O6 -","- C19 H17 Br Cd N2 O6 -","- C38 H34 Br2 Cd2 N4 O12 -","2","1","HY2559","Liu, Yangmei; Cao, Kai; Wang, Fenglin","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^N:N')[μ~3~-3-bromo-2-(carboxylatomethyl)benzoato-κ^3^O^1^:O^1'^:O^2^]cadmium] monohydrate]","Acta Crystallographica Section E","2012","68","8","m1071","","10.1107/S1600536812031297","","","0.71073","MoKα","","0.053","0.049","","","0.1155","0.1175","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235910","9.1674","0.0002","5.7551","0.0001","13.1112","0.0003","90","","106.954","0.0008","90","","661.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-3,5-dideoxy-3,5-imino-1,2-O-isopropylidene- β-L-lyxofuranose","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","LH5500","Edgeley, David S.; Jenkinson, Sarah F.; Lenagh-Snow, Gabriel; Rutherford, Catherine; Fleet, George W. J.; Thompson, Amber L.","N-Benzyl-3,5-dideoxy-3,5-imino-1,2-O-isopropylidene-β-L-lyxofuranose","Acta Crystallographica Section E","2012","68","8","o2410","","10.1107/S1600536812030656","","","0.71073","MoKα","","0.0354","0.0333","","0.0872","0.0839","0.0872","","","","","","0.9426","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235919","15.8861","0.0013","7.4891","0.0006","17.1018","0.0018","90","","117.45","0.005","90","","1805.6","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","bis(2-bromoethyl)ammonium bromide","","- C4 H10 Br3 N -","- C4 H10 Br3 N -","- C32 H80 Br24 N8 -","8","4","LR2074","Padayachy, Kamentheren; Fernandes, Manuel A.; Marques, Helder M.; de Sousa, Alvaro S.","Bis(2-bromoethyl)ammonium bromide","Acta Crystallographica Section E","2012","68","8","o2570","o2571","10.1107/S1600536812033417","","","0.71073","MoKα","","0.1492","0.1073","","","0.2555","0.2846","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235949","8.588","0.005","20.446","0.005","8.851","0.005","90","0.005","93.282","0.005","90","0.005","1551.6","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol- 5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'H,2H-spiro[acenaphthylene- 1,5'-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxylate","","- C34 H35 N O7 S -","- C34 H35 N O7 S -","- C68 H70 N2 O14 S2 -","2","1","PV2565","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'H,2H-spiro[acenaphthylene-1,5'-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxylate","Acta Crystallographica Section E","2012","68","8","o2505","o2506","10.1107/S1600536812032291","","","0.71073","MoKα","","0.0465","0.0367","","","0.0783","0.0834","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236031","15.2674","0.0003","12.2422","0.0003","22.3402","0.0005","90","","131.425","0.001","90","","3130.91","0.13","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(Anilino{(Z)-2-[(E)-5-bromo-3-methoxy-2- oxidobenzylidene]hydrazin-1-ylidene-κ^2^O^2^,N^2^} methanethiolato-κS)(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc N,N-dimethylformamide monosolvate","","- C30 H31 Br N6 O3 S Zn -","- C30 H31 Br N6 O3 S Zn -","- C120 H124 Br4 N24 O12 S4 Zn4 -","4","2","XU5589","Jacob, Jinsa Mary; Prathapachandra Kurup, M. R.; Ng, Seik Weng","(Anilino{(Z)-2-[(E)-5-bromo-3-methoxy-2-oxidobenzylidene]hydrazin-1-ylidene-κ^2^O^2^,N^2^}methanethiolato-κS)(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')zinc N,N-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","8","m1089","","10.1107/S1600536812031777","","","0.71073","MoKα","","0.1204","0.0697","","","0.1751","0.2105","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236061","7.1095","0.0003","22.5186","0.0009","8.6486","0.0004","90","","105.946","0.001","90","","1331.33","0.1","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","","- C11 H12 Br2 N O4.5 -","- C11 H12 Br2 N O4.5 -","- C44 H48 Br8 N4 O18 -","4","2","BG2470","Bovonsombat, Pakorn; Snyder, John; Caruso, Francesco; Rossi, Miriam","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","Acta Crystallographica Section E","2012","68","9","o2601","o2602","10.1107/S1600536812032928","","","0.71073","MoKα","","0.0266","0.0223","","","0.0467","0.0479","","","","","","0.918","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236065","5.7428","0.0011","10.17","0.002","12.486","0.002","90","","102.09","0.03","90","","713.1","0.2","298","2","298","2","101.3","","","","","","","5","P 1 21 1","P 2yb","4","","N-[2-(Phenylsulfonyl)ethyl]benzylamine","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","BG2477","Aubry, David A.; Fronczek, Frank R.; Watkins, Steven F.","N-[2-(Phenylsulfonyl)ethyl]benzylamine","Acta Crystallographica Section E","2012","68","10","o2940","","10.1107/S160053681203886X","","","0.71073","MoKα","","","0.0288","","","","0.0864","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236070","8.0592","0.0001","7.6653","0.0001","9.7659","0.0002","90","","107.25","0.001","90","","576.164","0.016","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis(2-hydroxyethyl)ammonium 2-bromophenolate","bis(2-hydroxyethyl)ammonium 2-bromophenolate","","- C10 H16 Br N O3 -","- C10 H16 Br N O3 -","- C20 H32 Br2 N2 O6 -","2","1","BH2446","Padayachy, Kamentheren; Fernandes, Manuel A.; Marques, Helder M.; Lemmerer, Andreas; de Sousa, Alvaro S.","Bis(2-hydroxyethyl)ammonium 2-bromophenolate","Acta Crystallographica Section E","2012","68","9","o2610","","10.1107/S1600536812033752","","","0.71073","MoKα","","0.0199","0.0183","","","0.0417","0.0421","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236080","6.7337","0.0006","18.123","0.0014","9.8216","0.0008","90","","104.918","0.003","90","","1158.18","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N,N',N'-Tetramethylphthalamide","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","2","BQ2372","Hamada, Adel; Boudinar, Yamina; Beghidja, Adel; Boutebdja, Mehdi","N,N,N',N'-Tetramethylphthalamide","Acta Crystallographica Section E","2012","68","9","o2710","","10.1107/S1600536812035167","","","0.71073","MoKα","","0.0552","0.0488","","","0.1183","0.1235","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236105","6.2467","0.0012","10.394","0.002","11.971","0.002","90","","92.42","0.03","90","","776.6","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N'-[(E)-2-Hydroxy-5-iodobenzylidene]-4- methylbenzenesulfonohydrazide","","- C14 H13 I N2 O3 S -","- C14 H13 I N2 O3 S -","- C28 H26 I2 N4 O6 S2 -","2","1","BT5993","Ghorbanloo, Massomeh; Notash, Behrouz","N'-[(E)-2-Hydroxy-5-iodobenzylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2012","68","9","o2760","","10.1107/S1600536812035738","","","0.71073","MoKα","","0.0632","0.0463","","","0.1086","0.1144","","","","","","0.916","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236133","11.2646","0.0002","5.6471","0.0001","25.7507","0.0004","90","","99.595","0.001","90","","1615.15","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-{[1-(2,3,5-Tri-O-benzoyl-β-D-ribofuranos-1-yl)- 1H-1,2,3-triazol-4-yl]methyl}quinazolin-4(3H)-one","","- C37 H29 N5 O8 -","- C37 H29 N5 O8 -","- C74 H58 N10 O16 -","2","1","BT6845","Ouahrouch, Abdelaaziz; Taourirte, Moha; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","3-{[1-(2,3,5-Tri-O-benzoyl-β-D-ribofuranos-1-yl)-1H-1,2,3-triazol-4-yl]methyl}quinazolin-4(3H)-one","Acta Crystallographica Section E","2012","68","11","o3166","","10.1107/S1600536812042778","","","0.71073","MoKα","","0.0475","0.0332","","","0.0746","0.0812","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236192","10.8053","0.0006","4.8952","0.0002","16.3601","0.001","90","","95.813","0.002","90","","860.9","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(E)-4-Benzyloxy-2-hydroxybenzylidene]benzohydrazide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","FJ2591","Reshma, P. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","N'-[(E)-4-Benzyloxy-2-hydroxybenzylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","9","o2785","","10.1107/S1600536812036306","","","0.71073","MoKα","","0.0327","0.0292","","","0.0777","0.082","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236214","11.2561","0.0017","7.7049","0.0011","13.9688","0.0014","90","","91.672","0.008","90","","1211","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris[(6S)-6-hydroxy-4-epi-shikimic acid] monohydrate","","- C7 H10.667 O6.333 -","- C7 H10.6667 O6.33333 -","- C42 H64 O38 -","6","3","GG2099","Griesbeck, Axel G.; Miara, Claus; Neudörfl, Jörg-M.","Tris[(6S)-6-hydroxy-4-epi-shikimic acid] monohydrate: an enantiomerically pure hydroxylated shikimic acid derived from methyl shikimate","Acta Crystallographica Section E","2012","68","11","o3149","o3150","10.1107/S1600536812041256","","","0.71073","MoKα","","0.1503","0.0535","","","0.0812","0.1021","","","","","","0.881","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236233","8.7455","0.0003","8.2968","0.0003","14.0638","0.0004","90","","104.474","0.003","90","","988.08","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","7-[(7S)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1- [(1S,2R)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline- 3-carboxylate methanol monosolvate","","- C20 H22 Cl F2 N3 O4 -","- C20 H22 Cl F2 N3 O4 -","- C40 H44 Cl2 F4 N6 O8 -","2","1","GO2064","Xu, Wen-jie; Qiu, Xue-hui; Hua, Huai-jie; Tan, Song-de; Ding, Hai-yan","7-[(7S)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate methanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2794","","10.1107/S160053681203632X","","","1.54184","CuKα","","0.0434","0.0383","","","0.0955","0.0998","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236251","9.7836","0.0004","6.3682","0.0003","16.233","0.0006","90","","100.351","0.003","90","","994.92","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)- 3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C48 H36 N4 O6 S2 -","2","1","HB6913","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(Z)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile","Acta Crystallographica Section E","2012","68","9","o2727","","10.1107/S1600536812035039","","","1.54178","CuKα","","0.0616","0.044","","","0.1096","0.1191","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236259","5.4954","0.0003","15.5097","0.001","15.5106","0.0009","90","","94.043","0.003","90","","1318.71","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Benzenesulfonamido-3-methylbutyric acid","","- C11 H15 N O4 S -","- C11 H15 N O4 S -","- C44 H60 N4 O16 S4 -","4","2","HB6922","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Aabideen, Zain Ul; Asiri, Abdullah M.","2-Benzenesulfonamido-3-methylbutyric acid","Acta Crystallographica Section E","2012","68","9","o2665","","10.1107/S1600536812034393","","","0.71073","MoKα","","0.0411","0.0358","","","0.0906","0.0934","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236269","5.1513","0.0004","10.6761","0.0009","13.2849","0.0008","90","","93.689","0.004","90","","729.1","0.09","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Acetyl-5-chloro-3-nitro-L-tyrosine ethyl ester","","- C13 H15 Cl N2 O6 -","- C13 H15 Cl N2 O6 -","- C26 H30 Cl2 N4 O12 -","2","1","HB6933","Mutahi, Teresa T.; Edagwa, Benson J.; Fronczek, Frank R.; Uppu, Rao M.","N-Acetyl-5-chloro-3-nitro-L-tyrosine ethyl ester","Acta Crystallographica Section E","2012","68","9","o2810","o2811","10.1107/S1600536812036380","","","1.54184","CuKα","","0.0345","0.0344","","","0.091","0.0912","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236288","8.1183","0.0007","6.0636","0.0005","14.1453","0.0011","90","","91.904","0.001","90","","695.93","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","","- C12 H12 N4 O7 -","- C12 H12 N4 O7 -","- C24 H24 N8 O14 -","2","1","HB6958","Wei, Shuaishuai; Jin, Shouwen; Hu, Zhaofeng; Zhou, Yong; Zhou, Yingping","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2012","68","11","o3117","","10.1107/S1600536812041906","","","0.71073","MoKα","","0.0669","0.0466","","","0.0969","0.1047","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236310","13.7535","0.0007","9.5266","0.0004","18.681","0.001","90","","102.829","0.003","90","","2386.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Hydroxyimino-5α-cholestane","","- C27 H47 N O -","- C27 H47 N O -","- C108 H188 N4 O4 -","4","2","HG5240","Uzzaman, Shams; Khanam, Hena; Mashrai, Ashraf; Mabkhot, Yahia Nasser; Husain, Ahmad","6-Hydroxyimino-5α-cholestane","Acta Crystallographica Section E","2012","68","10","o3037","o3038","10.1107/S1600536812040093","","","0.71073","MoKα","","0.0766","0.0494","","","0.1125","0.1291","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236397","9.615","0.0002","7.1362","0.0001","13.9716","0.0002","90","","100.118","0.0018","90","","943.75","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-O-α-L-fucopyranosyl β-D-glucopyranoside tetrahydrate","","- C13 H32 O14 -","- C13 H32 O14 -","- C26 H64 O28 -","2","1","IS5198","Eriksson, Lars; Widmalm, Göran","Methyl 3-O-α-L-fucopyranosyl β-D-glucopyranoside tetrahydrate","Acta Crystallographica Section E","2012","68","11","o3180","o3181","10.1107/S1600536812041992","","","0.71073","MoKα","","0.0299","0.0283","","","0.0724","0.0729","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236404","8.9311","0.0007","6.0283","0.0004","13.8694","0.001","90","","99.699","0.002","90","","736.05","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one","","- C11 H14 Cl3 N O6 -","- C11 H14 Cl3 N O6 -","- C22 H28 Cl6 N2 O12 -","2","1","IS5207","Oishi, Takeshi; Oishi, Hiroki; Tsuzaki, Syun; Sato, Takaaki; Chida, Noritaka","(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one","Acta Crystallographica Section E","2012","68","11","o3185","","10.1107/S1600536812042912","","","0.71073","MoKα","","0.0278","0.0266","","","0.0671","0.0687","","","","","","1.341","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236407","9.1085","0.0002","16.2431","0.0004","9.4192","0.0002","90","","92.096","0.001","90","","1392.64","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","FK228","(1S,4S,7Z,10S,16E,21R)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone","","- C24 H36 N4 O6 S2 -","- C24 H36 N4 O6 S2 -","- C48 H72 N8 O12 S4 -","2","1","JJ2148","Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang","FK228 from Burkholderia thailandensis MSMB43","Acta Crystallographica Section E","2012","68","9","o2757","o2758","10.1107/S160053681203601X","","","1.54178","CuKα","","0.0252","0.0248","","","0.0645","0.0648","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236416","7.649","0.004","13.591","0.008","14.399","0.008","90","","101.371","0.007","90","","1467.5","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(8-Methoxycarbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren- 3-yl)amino]-3,5-dinitrobenzoic acid ethyl acetate monosolvate","","- C29 H35 N3 O10 -","- C29 H35 N3 O10 -","- C58 H70 N6 O20 -","2","1","KP2429","Tong, Bihai; Zhang, Ye","2-[(8-Methoxycarbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl)amino]-3,5-dinitrobenzoic acid ethyl acetate monosolvate","Acta Crystallographica Section E","2012","68","9","o2674","","10.1107/S1600536812032278","","","0.71073","MoKα","","0.0541","0.0413","","","0.0995","0.1074","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236430","12.9734","0.0005","4.99","0.0002","13.775","0.0004","90","","96.482","0.003","90","","886.06","0.06","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","N,N'-Dibenzyl-N''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide","","- C16 H17 Cl F2 N3 O2 P -","- C16 H17 Cl F2 N3 O2 P -","- C32 H34 Cl2 F4 N6 O4 P2 -","2","1","LH5506","Pourayoubi, Mehrdad; Keikha, Mojtaba; Jasinski, Jerry P.; Keeley, Amanda C.","N,N'-Dibenzyl-N''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","10","o3009","","10.1107/S1600536812039712","","","0.71073","MoKα","","0.0586","0.0512","","","0.1169","0.1222","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236454","11.9975","0.0002","9.962","0.0002","12.7511","0.0002","90","","94.468","0.001","90","","1519.37","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2H-Benzotriazol-2-yl)-6-[(dicyclohexylamino)methyl]-4-(2,4,4- trimethylpentan-2-yl)phenol","","- C33 H48 N4 O -","- C33 H48 N4 O -","- C66 H96 N8 O2 -","2","1","LH5530","Chen, Ming-Jen; Wu, Ban-Hsin; Li, Chen-Yu; Lin, Chia-Her; Ko, Bao-Tsan","2-(2H-Benzotriazol-2-yl)-6-[(dicyclohexylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol","Acta Crystallographica Section E","2012","68","10","o2944","","10.1107/S1600536812038962","","","0.71073","MoKα","","0.0427","0.0356","","","0.0949","0.1007","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236460","12.366","0.014","6.789","0.008","12.579","0.014","90","","105.15","0.014","90","","1019","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-chlorobenzoyl)-N-(2-chlorophenyl)-O-[2-(2- nitrophenyl)acetyl]hydroxylamine","","- C21 H14 Cl2 N2 O5 -","- C21 H14 Cl2 N2 O5 -","- C42 H28 Cl4 N4 O10 -","2","1","LH5536","Ma, Jing; Ma, Yi; He, Dian","N-(4-chlorobenzoyl)-N-(2-chlorophenyl)-O-[2-(2-nitrophenyl)acetyl]hydroxylamine","Acta Crystallographica Section E","2012","68","11","o3067","","10.1107/S1600536812040883","","","0.71073","MoKα","","0.142","0.0542","","","","0.0686","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236486","6.158","0.001","9.223","0.002","15.407","0.004","90","","95.785","0.008","90","","870.6","0.3","100","0.5","100","0.5","101.3","","","","","","","4","P 1 21 1","P 2yb","4","","2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]- L-iditol","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C40 H40 O8 S2 -","2","1","MW2079","Gibson, Jerrell G.; Cho, Jung Young; Fronczek, Frank R.; Watkins, Steven F.","Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-L-iditol","Acta Crystallographica Section E","2012","68","9","o2668","o2669","10.1107/S1600536812034514","","","0.71073","MoKα","","","0.037","","","","0.0882","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236488","6.4225","0.0004","12.4973","0.0007","9.8176","0.0007","90","","101.243","0.006","90","","772.88","0.09","298","2","298","1","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4'-[rel-(2R,3R,4R,5R)-3,4- Dimethyltetrahydrofuran-2,5-diyl]diphenol","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","MW2082","Favela-Hernández, Juan Manuel de Jesús; Camacho-Corona, María del Rayo; Bernès, Sylvain; Flores-Alamo, Marcos","4,4'-[(2R*,3R*,4R*,5R*)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol","Acta Crystallographica Section E","2012","68","10","o3019","o3020","10.1107/S1600536812039359","","","0.71073","MoKα","","0.0752","0.0444","","","0.0925","0.1057","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236498","4.8159","0.0005","10.2482","0.0005","8.3573","0.0009","90","","102.842","0.004","90","","402.15","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2E,4R,5R,6S)-2-(4,5,6-Trihydroxycyclohex-2-en-1- ylidene)acetonitrile","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","NC2287","Guedem, Alphonsine N.; Sandjo, Louis P.; Opatz, Till; Schollmeyer, Dieter; Ngadjui, Bonaventure T.","(2E,4R,5R,6S)-2-(4,5,6-Trihydroxycyclohex-2-en-1-ylidene)acetonitrile","Acta Crystallographica Section E","2012","68","9","o2737","","10.1107/S1600536812035313","","","1.54178","CuKα","","0.0258","0.0255","","","0.0708","0.0711","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236500","10.898","0.005","6.23","0.003","15.095","0.008","90","","108.928","0.006","90","","969.5","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-[(2-Aminophenyl)iminomethyl]-4,6-di-tert-butylphenol","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C42 H56 N4 O2 -","2","1","NC2289","Ding, Liqin; Lü, Xingqiang; Zhao, Shunsheng; Zhu, Yuqin","(E)-2-[(2-Aminophenyl)iminomethyl]-4,6-di-tert-butylphenol","Acta Crystallographica Section E","2012","68","10","o2942","","10.1107/S1600536812038615","","","0.71073","MoKα","","0.0481","0.0438","","","0.1232","0.1285","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236519","4.6813","0.001","6.1986","0.0016","12.993","0.003","90","","92.995","0.017","90","","376.51","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Sodium pentafluorophenylborate","","- C6 H3 B F5 Na -","- C6 H3 B F5 Na -","- C12 H6 B2 F10 Na2 -","2","1","NG5300","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Sodium pentafluorophenylborate","Acta Crystallographica Section E","2012","68","11","m1371","","10.1107/S1600536812042584","","","0.71073","MoKα","","0.0757","0.0583","","","0.1297","0.1379","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236520","10.215","0.003","7.4588","0.0019","11.819","0.003","90","","100.17","0.005","90","","886.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2-carboxy-2-cyanovinyl) julolidine or CCVJ","2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin- 9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C36 H44 N4 O6 S2 -","2","1","NG5301","Yennawar, Hemant; He, Gang; Rumble, Christopher; Maroncelli, Mark","2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","11","o3204","o3205","10.1107/S1600536812043383","","","0.71073","MoKα","","0.0708","0.0512","","","0.1314","0.1455","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236564","6.8697","0.0005","3.9809","0.0002","20.5002","0.0011","90","","93.813","0.002","90","","559.39","0.06","223","","223","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C28 H16 Br4 -","2","1","QK2043","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","3,6-Dibromophenanthrene","Acta Crystallographica Section E","2012","68","11","o3100","","10.1107/S1600536812041621","","","0.71073","MoKα","","0.0216","0.0181","","","0.0353","0.0368","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236607","10.383","0.001","6.0303","0.0006","18.7366","0.0017","90","","95.591","0.004","90","","1167.57","0.19","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-tert-Butyl 5-methyl (2R,4S,5R)- 2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate","","- C23 H26 N2 O8 -","- C23 H26 N2 O8 -","- C46 H52 N4 O16 -","2","1","RZ5008","Montiel-Smith, Sara; Bernès, Sylvain; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Dubois, Joëlle","3-tert-Butyl 5-methyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","11","o3146","o3147","10.1107/S160053681204192X","","","0.71073","MoKα","","0.0661","0.0386","","","0.0827","0.0953","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236620","7.8438","0.0014","11.555","0.002","10.9649","0.0018","90","","108.375","0.003","90","","943.1","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(5-Benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate","","- C22 H26 O3 -","- C22 H26 O3 -","- C44 H52 O6 -","2","1","SJ5266","Kim, Tae Ho; Park, Ki-Min; Jeon, Youngeun; Kim, Jineun","Bioresmethrin: (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate","Acta Crystallographica Section E","2012","68","11","o3060","","10.1107/S1600536812040767","","","0.71073","MoKα","","0.052","0.043","","","0.0924","0.0961","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236631","9.5947","0.0015","6.6293","0.0008","12.34","0.002","90","","92.221","0.005","90","","784.3","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","SU2485","Nasirullah; Islam, Nazar Ul; Tahir, M. Nawaz; Khan, Ikhtiar; Zulfiqar, Muhammad","2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2636","","10.1107/S1600536812034083","","","0.71073","MoKα","","0.0964","0.0541","","","0.1198","0.142","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236636","8.6455","0.0002","10.7338","0.0003","12.331","0.0003","90","","99.055","0.001","90","","1130.04","0.05","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,8R,15S,19R)-17-Benzyl-17- azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca- 2(7),3,5,9(14),10,12-hexaene chloroform monosolvate","","","- C26 H24 Cl3 N -","- C26 H24 Cl3 N -","- C52 H48 Cl6 N2 -","2","1","SU2490","Bratko, Ielyzaveta; Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","(1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate","Acta Crystallographica Section E","2012","68","10","o2881","","10.1107/S1600536812037749","","","0.71073","MoKα","","0.0465","0.0419","","","0.1137","0.1186","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236650","9.1568","0.0008","11.4452","0.001","11.4928","0.0011","90","","110.84","0.004","90","","1125.66","0.18","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Di-tert-butyl N-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}iminodiacetate","","- C20 H29 N5 O4 -","- C20 H29 N5 O4 -","- C40 H58 N10 O8 -","2","1","SU2510","François, Alison; Marty, Louise; Picard, Claude; Mallet-Ladeira, Sonia; Benoist, Eric","Di-tert-butyl N-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}iminodiacetate","Acta Crystallographica Section E","2012","68","11","o3162","","10.1107/S1600536812042596","","","0.71073","MoKα","","0.1306","0.0585","","","0.1016","0.122","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236777","5.6325","0.0003","8.1666","0.0003","13.4836","0.0006","90","","96.798","0.004","90","","615.86","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methoxy-2-{(E)-[(thiophen-2-yl)methylimino]methyl}phenol","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C26 H26 N2 O4 S2 -","2","1","ZQ2177","Kantar, Esen Nur; Köysal, Yavuz; Macit, Mustafa; Er, Ebru; Soylu, Mustafa Serkan","4-Methoxy-2-{(E)-[(thiophen-2-yl)methylimino]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2801","","10.1107/S1600536812036586","","","0.71073","MoKα","","0.0594","0.0469","","","0.0965","0.1094","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236805","7.804","0.0005","7.98","0.0004","10.2903","0.0005","90","","99.458","0.005","90","","632.13","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S,11aS)-5-Hydroperoxy-1,5,11,11a- tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C28 H26 N2 O6 S2 -","2","1","BG2481","Vrábel, Viktor; Švorc, Ľubomír; Marchalín, Štefan; Šafář, Peter","(5S,11aS)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one","Acta Crystallographica Section E","2012","68","12","o3327","o3328","10.1107/S1600536812045394","","","0.71073","MoKα","","0.035","0.0274","","","0.066","0.068","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236831","10.4825","0.0016","6.9213","0.0009","11.0212","0.0018","90","","95.97","0.007","90","","795.3","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","acetyldihydromicromylin A","(1R,3R,4R,6S)-4-(7-Methoxy-2-oxo-2H- chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate","","- C17 H16 O7 -","- C17 H16 O7 -","- C34 H32 O14 -","2","1","BX2427","Phakhodee, Wong; Laphookhieo, Surat; Prior, Timothy John; Rujiwatra, Apinpus","(1R,3R,4R,6S)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate","Acta Crystallographica Section E","2012","68","12","o3421","o3422","10.1107/S1600536812047617","","","0.71073","MoKα","","0.0592","0.046","","","0.1236","0.136","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236909","10.72","0.0003","7.4015","0.0002","20.8517","0.0006","90","","93.044","0.001","90","","1652.12","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","2","HG5267","Nyamori, Vincent O.; Keru, Godfrey; Omondi, Bernard","(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene","Acta Crystallographica Section E","2012","68","12","m1535","","10.1107/S1600536812047812","","","0.71073","MoKα","","0.0239","0.0221","","","0.0593","0.0607","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236935","6.6962","0.0005","4.9388","0.0004","13.3593","0.0012","90","","92.361","0.008","90","","441.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-Nitrophenyl)acetohydrazide","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C16 H18 N6 O6 -","2","1","IS5219","Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B.","2-(2-Nitrophenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3436","","10.1107/S1600536812047381","","","1.54184","CuKα","","0.041","0.0377","","","0.0916","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237018","9.833","0.006","5.011","0.003","9.841","0.006","90","","118.27","0.01","90","","427.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-N,3-dimethylbenzamide","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C18 H24 N4 O2 -","2","1","RZ5025","Mei, Xiang-dong; Liang, Yan-hui; Li, Ke-Bin","2-Amino-N,3-dimethylbenzamide","Acta Crystallographica Section E","2012","68","12","o3474","","10.1107/S1600536812048027","","","0.71073","MoKα","","0.0433","0.0422","","","0.1099","0.1109","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237031","4.748","0.0002","9.9256","0.0004","13.3084","0.0004","90","","91.468","0.003","90","","626.98","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate","","- C11 H13 Cl N2 O3 -","- C11 H13 Cl N2 O3 -","- C22 H26 Cl2 N4 O6 -","2","1","SU2515","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Alamry, Khalid A.; Shafiq, Muhammad","Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate","Acta Crystallographica Section E","2012","68","12","o3274","","10.1107/S1600536812044285","","","1.54184","CuKα","","0.041","0.038","","","0.104","0.1087","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237119","12.0263","0.0006","10.742","0.0004","13.0499","0.0008","90","","112.849","0.006","90","","1553.58","0.15","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[[O,O'-bis(2-methylphenyl) dithiophosphato- κ^2^S,S]lead(II)]-μ-O,O'-bis(2-methylphenyl) dithiophosphato-κ^3^S,S':S]","","- C28 H28 O4 P2 Pb S4 -","- C28 H28 O4 P2 Pb S4 -","- C56 H56 O8 P4 Pb2 S8 -","2","1","BT6859","Butcher, Ray J.; Ratnani, Raju; Öztürk Yildirim, Sema; Falola, Oluwaseun","catena-Poly[[[O,O'-bis(2-methylphenyl) dithiophosphato-κ^2^S,S]lead(II)]-μ-O,O'-bis(2-methylphenyl) dithiophosphato-κ^3^S,S':S]","Acta Crystallographica Section E","2013","69","1","m29","m30","10.1107/S1600536812047964","","","1.54184","CuKα","","0.0326","0.0303","","","0.0731","0.075","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237176","5.0843","0.0001","8.0771","0.0001","11.1928","0.0002","90","","91.214","0.001","90","","459.545","0.013","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3-Diaminopyridinium hydrogen malonate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","IS5228","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,3-Diaminopyridinium hydrogen malonate","Acta Crystallographica Section E","2013","69","1","o92","o93","10.1107/S1600536812050386","","","0.71073","MoKα","","0.0389","0.0367","","","0.0914","0.0936","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237180","9.004","0.007","5.767","0.005","12.617","0.01","90","","90.415","0.016","90","","655.1","0.9","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","2-Amino-5-methylpyridinium 5-chlorosalicylate","2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C26 H26 Cl2 N4 O6 -","2","1","IS5232","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate","Acta Crystallographica Section E","2013","69","1","o132","o133","10.1107/S160053681205101X","","","0.71073","MoKα","","0.1005","0.0733","","","0.1743","0.2012","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237183","4.6273","0.0001","15.8565","0.0003","6.1719","0.0002","90","","95.598","0.002","90","","450.69","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~4~-3-carboxypyrazine-2-carboxylato)(μ~4~-nitrato)dilithium]","","- C6 H3 Li2 N3 O7 -","- C6 H3 Li2 N3 O7 -","- C12 H6 Li4 N6 O14 -","2","1","KP2442","Starosta, Wojciech; Leciejewicz, Janusz","Poly[(μ~4~-3-carboxypyrazine-2-carboxylato)(μ~4~-nitrato)dilithium]","Acta Crystallographica Section E","2013","69","1","m62","","10.1107/S1600536812050738","","","0.71073","MoKα","","0.0398","0.0359","","","0.0804","0.0835","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237190","5.75357","0.00019","16.0368","0.0005","8.3114","0.0003","90","","95.34","0.003","90","","763.56","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Diphenylmethyl benzoate","","- C20 H16 O2 -","- C20 H16 O2 -","- C40 H32 O4 -","2","1","LH5566","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Siddegowda, M. S.","Diphenylmethyl benzoate","Acta Crystallographica Section E","2013","69","1","o81","","10.1107/S1600536812050064","","","1.54184","CuKα","","0.0374","0.0351","","","0.092","0.0944","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237213","10.90063","0.00008","20.37357","0.00017","11.88385","0.00009","90","","104.355","0.0008","90","","2556.82","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Narciclasine hemihydrate","(2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5- tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one hemihydrate","","- C14 H14 N O7.5 -","- C14 H13.75 N O7.5 -","- C112 H110 N8 O60 -","8","4","RK2387","Jucov, Evgheni; Kornienko, Alexander; Masi, Marco; Evidente, Antonio; Antipin, Mikhail","(2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one hemihydrate","Acta Crystallographica Section E","2013","69","1","o9","o10","10.1107/S1600536812048763","","","1.5418","CuKα","","0.0475","0.0474","","","0.1212","0.1215","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237280","9.4225","0.0012","9.9313","0.0012","11.3641","0.0015","90","","98.482","0.009","90","","1051.8","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Isopropyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","","- C17 H26 O10 -","- C17 H26 O10 -","- C34 H52 O20 -","2","1","BT6870","Mönch, Bettina; Emmerling, Franziska; Kraus, Werner; Becker, Roland; Nehls, Irene","Isopropyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","Acta Crystallographica Section E","2013","69","2","o157","","10.1107/S1600536812051483","","","0.71073","MoKα","","0.0998","0.0582","","","0.1292","0.1505","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237283","8.8807","0.0006","11.628","0.0008","9.0596","0.0006","90","","107.665","0.002","90","","891.42","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3R,8R,9S,11R)-2,2,10,10-Tetrachloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H24 Cl4 -","- C17 H24 Cl4 -","- C34 H48 Cl8 -","2","1","BT6883","Ourhriss, Najia; Benharref, Ahmed; Saadi, Mohamed; El Ammari, Lahcen; Berraho, Moha","(1S,3R,8R,9S,11R)-2,2,10,10-Tetrachloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","2","o275","","10.1107/S1600536813001700","","","0.71073","MoKα","","0.0374","0.032","","","0.0813","0.0847","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237294","9.6864","0.0005","15.5706","0.0008","9.746","0.0006","90","","109.221","0.007","90","","1387.98","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,3aS,4S,7aS)-Ethyl 1-benzyl-2-(4-methoxybenzyl)-6,7-dimethyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate dichloromethane monosolvate","","- C29 H35 Cl2 N O4 -","- C29 H35 Cl2 N O4 -","- C58 H70 Cl4 N2 O8 -","2","1","CV5380","Lin, Benguo; Wu, Jin-Long","(1S,3aS,4S,7aS)-Ethyl 1-benzyl-2-(4-methoxybenzyl)-6,7-dimethyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate dichloromethane monosolvate","Acta Crystallographica Section E","2013","69","2","o316","","10.1107/S1600536813002560","","","0.71073","MoKα","","0.0659","0.0476","","","0.1088","0.127","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237304","6.1787","0.0002","8.2696","0.0002","12.3665","0.0004","90","","101.632","0.002","90","","618.89","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Hydroxy-1-methyl-3-phenylquinolin-2(1H)-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","FY2079","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","4-Hydroxy-1-methyl-3-phenylquinolin-2(1H)-one","Acta Crystallographica Section E","2013","69","2","o231","","10.1107/S1600536813000226","","","0.71073","MoKα","","0.0503","0.0393","","","0.0942","0.1023","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237361","9.0248","0.0003","8.7602","0.0003","13.1792","0.0004","90","","101.062","0.002","90","","1022.58","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate monohydrate","","- C19 H23 N3 O6 S -","- C19 H23 N3 O6 S -","- C38 H46 N6 O12 S2 -","2","1","LR2095","Abbassi, Najat; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate monohydrate","Acta Crystallographica Section E","2013","69","2","o190","o191","10.1107/S1600536812051975","","","0.71073","MoKα","","0.032","0.0305","","","0.0756","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237432","9.5934","0.0007","9.2266","0.0007","10.3565","0.0007","90","","96.172","0.004","90","","911.39","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,3'-dideoxy-myxochelin A","(S)-2,2'-Dihydroxy-N,N'-(6-hydroxyhexane- 1,5-diyl)dibenzamide","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","YK2084","Wilbrand, Sabine; Neis, Christian; Hegetschweiler, Kaspar","(S)-2,2'-Dihydroxy-N,N'-(6-hydroxyhexane-1,5-diyl)dibenzamide","Acta Crystallographica Section E","2013","69","2","o223","","10.1107/S1600536813000354","","","0.71073","MoKα","","0.0355","0.0309","","","0.0734","0.0759","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237443","5.6434","0.0004","9.2179","0.0006","16.5472","0.0009","90","","101.782","0.003","90","","842.65","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,4R)-2-[(1R)-1-(4-Bromophenyl)-2-nitroethyl]- 4-ethylcyclohexanone","","- C16 H20 Br N O3 -","- C16 H20 Br N O3 -","- C32 H40 Br2 N2 O6 -","2","1","ZQ2194","Zhang, Chi-Xiao; Zhang, Yan-Peng; Xia, Ai-Bao","(2S,4R)-2-[(1R)-1-(4-Bromophenyl)-2-nitroethyl]-4-ethylcyclohexanone","Acta Crystallographica Section E","2013","69","2","o263","","10.1107/S1600536813001426","","","0.71073","MoKα","","0.1233","0.0555","","","0.1306","0.1754","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237447","9.414","0.001","14.226","0.002","9.551","0.001","90","","117.26","0.007","90","","1137","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Pyridine-2-aldoximato-κ^2^N,N')bis[2-(pyridin-2-yl)phenyl-κ^2^C^1^,N]iridium(III)","","- C28 H21 Ir N4 O -","- C28 H21 Ir N4 O -","- C56 H42 Ir2 N8 O2 -","2","1","BG2497","Pal, Satyanarayan; Singh, Bimal Chandra","(Pyridine-2-aldoximato-κ^2^N,N')bis[2-(pyridin-2-yl)phenyl-κ^2^C^1^,N]iridium(III)","Acta Crystallographica Section E","2013","69","3","m159","","10.1107/S1600536813004297","","","0.71073","MoKα","","0.0479","0.0366","","","0.0595","0.0627","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237514","15.0413","0.0002","7.7866","0.0001","19.6443","0.0003","90","","96.231","0.001","90","","2287.16","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Stevioside","Stevioside methanol tetrasolvate","","- C42 H76 O22 -","- C42 H76 O22 -","- C84 H152 O44 -","2","1","JJ2161","Wu, Yunshan; Rodenburg, Douglas L.; Ibrahim, Mohamed A.; McChesney, James D.; Avery, Mitchell A.","Stevioside methanol tetrasolvate","Acta Crystallographica Section E","2013","69","3","o410","o411","10.1107/S1600536813003954","","","1.54178","CuKα","","0.0304","0.0297","","","0.0754","0.0759","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237545","12.064","0.0005","31.81","0.002","21.9207","0.0015","90","","98.029","0.005","90","","8329.7","0.9","90","0.5","90","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κS}bis(triphenylphosphane-κP)silver(I)","","- C45 H43 Ag Cl N5 P2 S -","- C45 H43 Ag Cl N5 P2 S -","- C360 H344 Ag8 Cl8 N40 P16 S8 -","8","4","RK2386","Venkatraman, Ramaiyer; Ruddock, Kleopatra D.; Das, Himangshu S.; Hossain, Md. Alamgir; Fronczek, Frank R.","Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κS}bis(triphenylphosphane-κP)silver(I)","Acta Crystallographica Section E","2013","69","3","m137","m138","10.1107/S1600536813003152","","","0.71073","MoKα","","0.06","0.042","","","0.094","0.103","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237597","8.278","0.002","9.714","0.003","11.847","0.003","90","","90.578","0.009","90","","952.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-Dichloroacetyl-t-3,t-5-dimethyl-r-2,c-6-diphenylpiperidin-4-one","1-Dichloroacetyl-t-3,t-5-dimethyl-r-2,c-6-diphenylpiperidin-4-one","","- C21 H21 Cl2 N O2 -","- C21 H21 Cl2 N O2 -","- C42 H42 Cl4 N2 O4 -","2","1","BT6893","Sugumar, P.; Kayalvizhi, R.; Mini, R.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Dichloroacetyl-t-3,t-5-dimethyl-r-2,c-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","4","o609","","10.1107/S1600536813007927","","","0.71073","MoKα","","0.0353","0.032","","","0.0847","0.0878","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237607","10.5304","0.0005","12.6363","0.0005","10.7246","0.0005","90","","92.865","0.001","90","","1425.29","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triazapentacyclo[19.7.1.0^2,7^.0^15,20^.0^22,27^]nonacosa-2,4,6,15(20),16,18,21,26-octaene-26-carboxylate","","- C33 H35 N3 O5 -","- C33 H35 N3 O5 -","- C66 H70 N6 O10 -","2","1","CV5393","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Vasil'ev, Vasily G.; Khrustalev, Victor N.","Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triazapentacyclo[19.7.1.0^2,7^.0^15,20^.0^22,27^]nonacosa-2,4,6,15(20),16,18,21,26-octaene-26-carboxylate","Acta Crystallographica Section E","2013","69","4","o565","o566","10.1107/S1600536813007241","","","0.71073","MoKα","","0.052","0.0403","","","0.0887","0.0937","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237620","5.381","0.003","15.225","0.007","13.749","0.007","90","","94.92","0.03","90","","1122.2","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-iodo-3-phenylbenzo[c]isoxazole","5-Iodo-3-phenyl-2,1-benzoxazole","","- C13 H8 I N O -","- C13 H8 I N O -","- C52 H32 I4 N4 O4 -","4","2","GK2554","Teslenko, Yuriy; Matiychuk, Vasyl S.; Kinzhybalo, Vasyl; Lis, Tadeusz; Obushak, Mykola D.","5-Iodo-3-phenyl-2,1-benzoxazole","Acta Crystallographica Section E","2013","69","4","o508","","10.1107/S1600536813005862","","","0.71073","MoKα","","0.0578","0.0413","","","0.085","0.0898","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237633","13.7309","0.0008","6.9177","0.0004","14.8539","0.0009","90","","90.943","0.002","90","","1410.73","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","4,5,9,9,13,19,20-Heptamethyl-23-oxo-24- oxahexacyclo[15.5.2.0^1,18^.0^4,17^.0^5,14^.0^8,13^]tetracos- 15-en-10-yl acetate","4,4,6a,6b,11,12,14b-Heptamethyl-16-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl acetate","","- C32 H48 O4 -","- C32 H48 O4 -","- C64 H96 O8 -","2","1","HB7057","Nisar, Mohammad; Ali, Sajid; Tahir, M. Nawaz; Ahmad, Bashir; Hameed, Shahid","4,4,6a,6b,11,12,14b-Heptamethyl-16-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl acetate","Acta Crystallographica Section E","2013","69","4","o573","","10.1107/S1600536813007253","","","0.71073","MoKα","","0.0565","0.0406","","","0.0919","0.1008","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2237650","8.9769","0.0017","5.6601","0.0012","12.753","0.002","90","","90.662","0.005","90","","647.9","0.2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","2-Amino-5-bromopyridinium 5-chloro-2-hydroxybenzoate","","- C12 H10 Br Cl N2 O3 -","- C12 H10 Br Cl N2 O3 -","- C24 H20 Br2 Cl2 N4 O6 -","2","1","IS5251","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-bromopyridinium 5-chloro-2-hydroxybenzoate","Acta Crystallographica Section E","2013","69","4","o537","o538","10.1107/S160053681300665X","","","0.71073","MoKα","","0.083","0.0457","","","0.0786","0.0907","","","","","","0.909","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237701","9.2188","0.0005","7.2767","0.0004","9.562","0.0005","90","","93.625","0.006","90","","640.16","0.06","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-1-(2-Hydroxyethyl)-4-(2-methoxybenzylidene)-2-methyl-1H-imidazol-5(4H)-one","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","SJ5304","Wu, Hongyi; Wang, Weihua; Walker, Jr, Edwin H.; Fronczek, Frank R.","(Z)-1-(2-Hydroxyethyl)-4-(2-methoxybenzylidene)-2-methyl-1H-imidazol-5(4H)-one","Acta Crystallographica Section E","2013","69","4","o604","o605","10.1107/S1600536813007770","","","0.71073","MoKα","","0.0334","0.0315","","","0.0852","0.0865","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237774","10.3312","0.001","7.1692","0.0008","10.8502","0.0006","90","","115.958","0.005","90","","722.56","0.12","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,4S,4aS,8S,8aS)-4-Hydroxy-8,8a-dimethyl-10-oxo-2,3,4,7,8,8a-hexahydro-1H- 4a,1-(epoxymethano)naphthalen-2-yl acetate","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","BT6907","Selaïmia-Ferdjani, Ouassila; Bidjou-Haiour, Chahra; Planchat, Aurelien; Pipelier, Muriel","(1R,2S,4S,4aS,8S,8aS)-4-Hydroxy-8,8a-dimethyl-10-oxo-2,3,4,7,8,8a-hexahydro-1H-4a,1-(epoxymethano)naphthalen-2-yl acetate","Acta Crystallographica Section E","2013","69","6","o938","o939","10.1107/S1600536813013524","","","0.71069","MoKα","","0.0705","0.0502","","","0.1229","0.1383","","","","","","1.84","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237785","7.281","0.001","17.467","0.002","9.131","0.0012","90","","106.447","0.007","90","","1113.7","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-3β-(2-Chloroanilino)-17(20)-pregnene","","- C27 H38 Cl N -","- C27 H38 Cl N -","- C54 H76 Cl2 N2 -","2","1","CV5384","Hu, Jun-yi; Wang, Jiang; Xu, Ying-qian; Gao, Yun; Xiao, Guo-yong","(Z)-3β-(2-Chloroanilino)-17(20)-pregnene","Acta Crystallographica Section E","2013","69","5","o635","","10.1107/S1600536813007290","","","0.71073","MoKα","","0.0375","0.0292","","","0.064","0.0657","","","","","","0.972","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237788","8.7761","0.0018","5.088","0.001","10.636","0.002","90","","101.381","0.004","90","","465.59","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium hydrogen malonate","3,4-Diaminopyridinium 2-carboxyethanoate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","CV5392","Thapa, Surendra; Draguta, Sergiu; Sandhu, Bhupinder; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","3,4-Diaminopyridinium hydrogen malonate","Acta Crystallographica Section E","2013","69","5","o670","","10.1107/S1600536813008763","","","0.71073","MoKα","","0.0486","0.0395","","","0.0966","0.1022","","","","","","1.183","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237792","9.0112","0.0006","11.6772","0.0008","9.0849","0.0006","90","","108.045","0.005","90","","908.94","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,3R,8R,9S,11R)-2,2-Dibromo-10,10-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H24 Br2 Cl2 -","- C17 H24 Br2 Cl2 -","- C34 H48 Br4 Cl4 -","2","1","CV5397","Ourhriss, Najia; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","(1S,3R,8R,9S,11R)-2,2-Dibromo-10,10-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","5","o724","","10.1107/S1600536813009070","","","0.71073","MoKα","","0.0587","0.0382","","","0.084","0.0916","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237796","4.6408","0.0008","18.263","0.003","9.4482","0.0016","90","","94.294","0.003","90","","798.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(4-Methoxyphenyl)-1,3-selenazolo[2,3-b][1,3]benzothiazol-4-ium hydrogen sulfate","","- C16 H13 N O5 S2 Se -","- C16 H13 N O5 S2 Se -","- C32 H26 N2 O10 S4 Se2 -","2","1","CV5401","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Borisova, Galina N.; Borisov, Alexander V.; Khrustalev, Victor N.","3-(4-Methoxyphenyl)-1,3-selenazolo[2,3-b][1,3]benzothiazol-4-ium hydrogen sulfate","Acta Crystallographica Section E","2013","69","5","o703","o704","10.1107/S1600536813009288","","","0.71073","MoKα","","0.0516","0.0395","","","0.0803","0.0845","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237827","10.3457","0.0007","5.4662","0.0005","13.2446","0.0012","90","","102.849","0.002","90","","730.25","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4aR,9R,9aR)-7-Bromo-9-nitromethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-one","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C28 H28 Br2 N2 O8 -","2","1","FY2090","Wu, Chao; Guo, Yan-Jun; Xia, Ai-Bao","(4aR,9R,9aR)-7-Bromo-9-nitromethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-one","Acta Crystallographica Section E","2013","69","5","o794","","10.1107/S1600536813008659","","","0.71073","MoKα","","0.096","0.0517","","","0.1147","0.1367","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237833","6.3535","0.0003","10.7304","0.0006","8.5629","0.0004","90","","99.49","0.002","90","","575.79","0.05","290","2","290","2","","","","","","","","7","P 1 21 1","P 2yb","4","","fac-diaquatrichlorido[(dimethylphosphoryl)methanaminium-κO]manganese(II)","","- C3 H15 Cl3 Mn N O3 P -","- C3 H15 Cl3 Mn N O3 P -","- C6 H30 Cl6 Mn2 N2 O6 P2 -","2","1","GG2113","Reiss, Guido J.","Pseudosymmetric fac-diaquatrichlorido[(dimethylphosphoryl)methanaminium-κO]manganese(II)","Acta Crystallographica Section E","2013","69","5","m250","m251","10.1107/S1600536813008751","","","0.71073","MoKα","","0.0143","0.0142","","","0.0375","0.0377","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237843","10.015","0.005","4.647","0.003","10.904","0.005","90","","109.755","0.007","90","","477.6","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(2S,3aR,6aR)-5-Oxohexahydrofuro[3,2-b]furan-2-yl]methyl acetate","","- C9 H12 O5 -","- C9 H12 O5 -","- C18 H24 O10 -","2","1","GO2086","González, María; Martínez, Andrea; Rivadulla, Marcos L.; Matos, Maria J.","[(2S,3aR,6aR)-5-Oxohexahydrofuro[3,2-b]furan-2-yl]methyl acetate","Acta Crystallographica Section E","2013","69","5","o772","","10.1107/S1600536813010313","","","0.71073","MoKα","","0.0535","0.0436","","","0.0924","0.0967","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237892","17.233","0.003","22.001","0.004","28.26","0.005","90","","92.49","0.02","90","","10704","3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetraphenylphosphonium iodide‒1,3,5-trifluoro-2,4,6-triiodobenzene‒methanol (3/4/1)","","- C97 H64 F12 I15 O P3 -","- C97 H64 F12 I15 O P3 -","- C388 H256 F48 I60 O4 P12 -","4","2","IM2426","Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Tetraphenylphosphonium iodide‒1,3,5-trifluoro-2,4,6-triiodobenzene‒methanol (3/4/1)","Acta Crystallographica Section E","2013","69","6","o865","o866","10.1107/S1600536813012397","","","0.71073","MoKα","","0.0455","0.0399","","","0.0787","0.0807","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237908","6.8142","0.0012","8.1942","0.0014","16.832","0.003","90","","100.081","0.004","90","","925.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methyl-3-(2-oxo-2H-chromen-3-yl)-1H-imidazol-3-ium picrate","","- C19 H13 N5 O9 -","- C19 H13 N5 O9 -","- C38 H26 N10 O18 -","2","1","IS5268","Tuyen, Nguyen Van; Anh, Le Tuan; Festa, Alexey A.; Voskressensky, Leonid G.; Khrustalev, Victor N.","1-Methyl-3-(2-oxo-2H-chromen-3-yl)-1H-imidazol-3-ium picrate","Acta Crystallographica Section E","2013","69","6","o839","","10.1107/S1600536813011690","","","0.71073","MoKα","","0.0754","0.0627","","","0.159","0.1647","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237925","7.2372","0.0001","6.6726","0.0001","11.7126","0.0002","90","","106.715","0.001","90","","541.714","0.015","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S)-4-[(R)-Chloro(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one","","- C10 H9 Cl N2 O4 -","- C10 H9 Cl N2 O4 -","- C20 H18 Cl2 N4 O8 -","2","1","KP2451","Gaumet, V.; Denis, C.; Madesclaire, M.; Zaitsev, V. P.","(4S)-4-[(R)-Chloro(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2013","69","5","o783","","10.1107/S1600536813010398","","","0.71073","MoKα","","0.0439","0.0369","","","0.0928","0.0981","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237927","6.3064","0.0002","5.4695","0.0002","14.6481","0.0005","90","","94.303","0.002","90","","503.83","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2R,3R)-3-(4-Nitrophenyl)aziridin-2-yl]methanol monohydrate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C18 H24 N4 O8 -","2","1","KP2453","Gaumet, V.; Denis, C.; Leal, F.; Madesclaire, M.; Zaitsev, V. P.","[(2R,3R)-3-(4-Nitrophenyl)aziridin-2-yl]methanol monohydrate","Acta Crystallographica Section E","2013","69","6","o927","","10.1107/S1600536813013391","","","0.71073","MoKα","","0.0439","0.0349","","","0.0797","0.086","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237964","7.1786","0.0011","7.3213","0.001","16.042","0.002","90","","102.196","0.004","90","","824.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl N-[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-N-methylcarbamate","","- C15 H25 N3 O3 -","- C15 H25 N3 O3 -","- C30 H50 N6 O6 -","2","1","NC2311","Gehringer, Matthias; Forster, Michael; Schollmeyer, Dieter; Laufer, Stefan","tert-Butyl N-[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-N-methylcarbamate","Acta Crystallographica Section E","2013","69","6","o935","","10.1107/S1600536813013512","","","0.71073","MoKα","","0.0476","0.0384","","","0.0949","0.1012","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237992","6.056","0.0012","10.963","0.002","18.554","0.004","90","","98.62","0.03","90","","1217.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-dimethyldehydroabietylamine hydrochloride ethanol solvate","1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-N,N-dimethylmethanaminium chloride ethanol monosolvate","","- C24 H42 Cl N O -","- C24 H42 Cl N O -","- C48 H84 Cl2 N2 O2 -","2","1","QK2059","Huang, Xiu-Zhi; Rao, Xiao-Ping; Cui, Yan-Jie","N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate","Acta Crystallographica Section E","2013","69","6","o959","","10.1107/S1600536813013846","","","0.71073","MoKα","","0.1174","0.0735","","","0.1665","0.1897","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237993","13.747","0.002","5.6695","0.0013","14.28","0.003","90","","106.94","0.02","90","","1064.7","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[3-(4-Bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole","","- C24 H17 Br F N3 S -","- C24 H17 Br F N3 S -","- C48 H34 Br2 F2 N6 S2 -","2","1","QM2094","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[3-(4-Bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2013","69","5","o735","","10.1107/S1600536813010039","","","0.71073","MoKα","","0.1329","0.052","","","0.0985","0.136","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238016","6.493","0.0002","29","0.0008","9.2854","0.0004","90","","110.454","0.001","90","","1638.18","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3S,8R,9S,11R)-10,10-Dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H26 Cl2 -","- C17 H26 Cl2 -","- C68 H104 Cl8 -","4","2","RZ5066","Benharref, Ahmed; Ourhriss, Najia; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1S,3S,8R,9S,11R)-10,10-Dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","6","o933","o934","10.1107/S1600536813013457","","","0.71073","MoKα","","0.0532","0.0498","","","0.1215","0.1233","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238017","10.217","0.003","7.848","0.003","11.369","0.003","90","","97.316","0.004","90","","904.2","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile","","- C21 H11 N5 S -","- C21 H11 N5 S -","- C42 H22 N10 S2 -","2","1","SJ5308","Okuno, Tsunehisa; Iwahashi, Hirokazu","2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile","Acta Crystallographica Section E","2013","69","5","o665","","10.1107/S1600536813008799","","","0.71075","MoKα","","","0.0317","","","","0.0778","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238030","10.7611","0.0005","14.3742","0.0007","11.6657","0.0006","90","","110.107","0.003","90","","1694.5","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,3'S,3a'R,6'S)-6'-(2-Chlorophenyl)-3'-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-2-oxo-3',3'a,4',6'-tetrahydro-2H,2'H-spiro[acenaphthylene-1,1'-pyrrolo[1,2-c][1,3]thiazole]-2',2'-dicarbonitrile","","- C41 H29 Cl N4 O3 S -","- C41 H29 Cl N4 O3 S -","- C82 H58 Cl2 N8 O6 S2 -","2","1","SU2576","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","(1S,3'S,3a'R,6'S)-6'-(2-Chlorophenyl)-3'-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-2-oxo-3',3'a,4',6'-tetrahydro-2H,2'H-spiro[acenaphthylene-1,1'-pyrrolo[1,2-c][1,3]thiazole]-2',2'-dicarbonitrile","Acta Crystallographica Section E","2013","69","5","o750","o751","10.1107/S1600536813009276","","","0.71073","MoKα","","0.0768","0.0446","","","0.0979","0.1139","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238050","6.606","0.0004","25.7003","0.0013","7.9627","0.0005","90","","107.532","0.007","90","","1289.08","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Histidinium dipicrate dihydrate","","- C18 H19 N9 O18 -","- C18 H19 N9 O18 -","- C36 H38 N18 O36 -","2","1","SU2602","Sethuram, M.; Rajasekharan, M. V.; Dhandapani, M.; Amirthaganesan, G.; NizamMohideen, M.","L-Histidinium dipicrate dihydrate","Acta Crystallographica Section E","2013","69","6","o957","o958","10.1107/S1600536813013949","","","0.71073","MoKα","","0.0491","0.0392","","","0.082","0.0883","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238058","12.5688","0.0006","25.3381","0.0009","13.1058","0.0007","90","","96.74","0.004","90","","4145","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","μ~3~-Methoxido-κ^3^O:O:O-tris(μ-L-p-tyrosinato-κ^3^N,O:O)tris(L-p-tyrosinato-κ^2^N,O)trinickel(II,III) methanol tetrasolvate","","- C59 H63 N6 Ni3 O23 -","- C59 H63 N6 Ni3 O23 -","- C118 H126 N12 Ni6 O46 -","2","1","TK5221","Tapala, Weerinradah; Prior, Timothy J.; Rujiwatra, Apinpus","μ~3~-Methoxido-κ^3^O:O:O-tris(μ-L-p-tyrosinato-κ^3^N,O:O)tris(L-p-tyrosinato-κ^2^N,O)trinickel(II,III) methanol tetrasolvate","Acta Crystallographica Section E","2013","69","5","m286","m287","10.1107/S1600536813010696","","","0.71073","MoKα","","0.0525","0.0401","","","0.0945","0.0969","","","","","","0.878","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238059","8.878","0.0003","10.334","0.0003","8.923","0.0003","90","","108.805","0.004","90","","774.94","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,3R,8R)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H22 Cl2 O -","- C16 H22 Cl2 O -","- C32 H44 Cl4 O2 -","2","1","TK5222","Ourhriss, Naja; Benharref, Ahmed; Oukhrib, Abdelouahd; Daran, Jean-Claude; Berraho, Moha","(1S,3R,8R)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2013","69","6","o830","","10.1107/S1600536813011781","","","1.5418","CuKα","","0.0288","0.0276","","","0.0631","0.0645","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238063","10.76","0.005","8.321","0.004","14.601","0.007","90","","98.997","0.009","90","","1291.2","1.1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (3R,4S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate","","- C21 H42 O5 Si2 -","- C21 H42 O5 Si2 -","- C42 H84 O10 Si4 -","2","1","VM2187","Liu, Ri; Shi, Yu; Xu, Chun-Xiu; Li, Yi-Liang","(3R,4S,5R)-Methyl 3,5-bis[(tert-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate","Acta Crystallographica Section E","2013","69","5","o632","","10.1107/S1600536813007551","","","0.71073","MoKα","","0.0613","0.0482","","","0.0694","0.0733","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238097","9.7918","0.0002","9.3938","0.0002","10.6998","0.0002","90","","112.176","0.002","90","","911.39","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2S,5R)-(-)-Menthyl (S)-2-(methoxycarbonyl)benzenesulfinate","","- C18 H26 O4 S -","- C18 H26 O4 S -","- C36 H52 O8 S2 -","2","1","YK2089","Altamura, Maria; Guidi, Antonio; Jierry, Loic; Paoli, Paola; Rossi, Patrizia","(1R,2S,5R)-(‒)-Menthyl (S)-2-(methoxycarbonyl)benzenesulfinate","Acta Crystallographica Section E","2013","69","5","o731","","10.1107/S1600536813009112","","","1.5418","CuKα","","0.0355","0.0311","","","0.0753","0.0782","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238154","10.964","0.002","9.155","0.001","14.74","0.002","90","","92.98","0.01","90","","1477.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,6α-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one","","- C31 H48 O7 -","- C31 H48 O7 -","- C62 H96 O14 -","2","1","FJ2632","Piccialli, Vincenzo; Tuzi, Angela; Oliviero, Giorgia; Borbone, Nicola; Centore, Roberto","3β,6α-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one","Acta Crystallographica Section E","2013","69","7","o1109","o1110","10.1107/S1600536813016206","","","0.71073","MoKα","","0.0909","0.047","","","0.087","0.1065","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238179","7.0399","0.0014","7.1795","0.0014","11.817","0.002","90","","102.72","0.03","90","","582.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzyl-5-ethyl-5-hydroxy-1H-pyrrol-2(5H)-one","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","HB7096","Gao, Yan-Jiao; Wang, Yu-Huang; Ye, Jian-Liang","1-Benzyl-5-ethyl-5-hydroxy-1H-pyrrol-2(5H)-one","Acta Crystallographica Section E","2013","69","7","o1136","","10.1107/S1600536813016887","","","0.71073","MoKα","","0.0519","0.044","","","","0.1451","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238243","8.8056","0.0013","15.648","0.003","12.139","0.0016","90","","91.769","0.01","90","","1671.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2R,7R,8S,10R)-9,9-Dibromo-2,6,6,10-tetramethyl-1α,2α-epoxytricyclo[5.5.0.0^8,10^]dodecane","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C64 H96 Br8 O4 -","4","2","RZ5070","Benharref, Ahmed; El Karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1S,2R,7R,8S,10R)-9,9-Dibromo-2,6,6,10-tetramethyl-1α,2α-epoxytricyclo[5.5.0.0^8,10^]dodecane","Acta Crystallographica Section E","2013","69","7","o1037","o1038","10.1107/S160053681301502X","","","0.71073","MoKα","","0.0579","0.0454","","","0.1047","0.1079","","","","","","0.958","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238270","11.4896","0.0015","7.9311","0.0011","13.4853","0.0017","90","","111.619","0.012","90","","1142.4","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate","","- C19 H34 N O8.5 S -","- C19 H31 N O7 S -","- C38 H62 N2 O14 S2 -","2","1","TK5228","Dmochowska, Barbara; Sikora, Karol; Chojnacki, Jaroslaw; Wojnowski, Wieslaw; Wiśniewski, Andrzej","N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate","Acta Crystallographica Section E","2013","69","7","o1019","o1020","10.1107/S1600536813014797","","","0.71073","MoKα","","0.0536","0.0514","","","0.1356","0.1392","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238301","7.889","0.0016","8.662","0.0017","16.629","0.003","90","","102.24","0.03","90","","1110.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-Cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphinan-6-yl benzoate","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C54 H54 N2 O10 -","2","1","ZS2258","Yang, Rui; Wang, Guo-Hai; Liu, Xia-Li; Wang, Dong; Li, Xiang","O-Benzoylnaltrexone","Acta Crystallographica Section E","2013","69","7","o1107","","10.1107/S1600536813016036","","","0.71073","MoKα","","0.1122","0.0672","","","0.1543","0.1804","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238333","7.1147","0.0009","8.3841","0.0009","12.9217","0.0013","90","","105.266","0.005","90","","743.59","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-Fluoro-N-[3,4,5-trimethoxybenzylidene]aniline","4-Fluoro-N-[(E)-3,4,5-trimethoxybenzylidene]aniline","","- C16 H16 F N O3 -","- C16 H16 F N O3 -","- C32 H32 F2 N2 O6 -","2","1","DS2233","Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban","4-Fluoro-N-[(E)-3,4,5-trimethoxybenzylidene]aniline","Acta Crystallographica Section E","2013","69","8","o1234","","10.1107/S1600536813017741","","","0.71073","MoKα","","0.0613","0.0401","","","0.1126","0.1282","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238404","4.9158","0.001","10.514","0.002","9.814","0.002","90","","93.716","0.003","90","","506.17","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-sulfomylanilinium perchlorate","4-Sulfomylanilinium perchlorate","","- C6 H9 Cl N2 O6 S -","- C6 H9 Cl N2 O6 S -","- C12 H18 Cl2 N4 O12 S2 -","2","1","NG5332","Anitha, R.; Athimoolam, S.; Gunasekaran, M.; Sridhar, B.","4-Sulfamoylanilinium perchlorate","Acta Crystallographica Section E","2013","69","8","o1236","","10.1107/S1600536813017972","","","0.71073","MoKα","","0.0216","0.0216","","","0.0611","0.0611","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238424","9.8733","0.0003","10.771","0.0004","14.1044","0.0005","90","","97.943","0.002","90","","1485.55","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-diethyl-2-(naphthalen-1-yloxy)propanamide","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","2","SJ5338","Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho","Napropamide","Acta Crystallographica Section E","2013","69","8","o1207","","10.1107/S1600536813017947","","","0.71073","MoKα","","0.0477","0.0365","","","0.0777","0.083","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238437","6.585","0.007","29.05","0.03","9.385","0.009","90","","110.29","0.02","90","","1684","3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3S,8R,9S,11R)-10,10-Dibromo-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H26 Br2 -","- C17 H26 Br2 -","- C68 H104 Br8 -","4","2","TK5238","Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1S,3S,8R,9S,11R)-10,10-Dibromo-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","8","o1261","","10.1107/S160053681301903X","","","0.71073","MoKα","","0.0631","0.0417","","","0.088","0.0952","","","","","","1.099","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238462","10.1828","0.0011","10.3414","0.0011","15.5542","0.0016","90","","102.688","0.002","90","","1597.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N^2^-(4-Methoxysalicylidene)arginine hemihydrate","(2S)-5-{[Amino(iminiumyl)methyl]amino}-2-{[(1Z)-4-methoxy-2-oxidobenzylidene]azaniumyl}pentanoate hemihydrate","","- C14 H21 N4 O4.5 -","- C14 H21 N4 O4.5 -","- C56 H84 N16 O18 -","4","2","ZS2267","Sethuram, M.; Bhargavi, G.; Dhandapani, M.; Amirthaganesan, G.; NizamMohideen, M.","N^2^-(4-Methoxysalicylidene)arginine hemihydrate","Acta Crystallographica Section E","2013","69","8","o1301","o1302","10.1107/S1600536813019727","","","0.71073","MoKα","","0.0907","0.0722","","","0.1561","0.1668","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238539","5.773","0.005","9.939","0.005","13.268","0.005","90","","95.876","0.005","90","","757.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E,4E)-Ethyl 5-(2,4-dichlorophenylsulfonyl)penta-2,4-dienoate","","- C13 H12 Cl2 O4 S -","- C13 H12 Cl2 O4 S -","- C26 H24 Cl4 O8 S2 -","2","1","PV2638","Sankar, U.; Sabari, V.; Mahalakshmi, S.; Balasubramanian, K. K.; Aravindhan, S.","(2E,4E)-Ethyl 5-(2,4-dichlorophenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2013","69","9","o1387","","10.1107/S1600536813021429","","","0.71073","MoKα","","0.0332","0.0298","","","0.0709","0.074","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238578","8.3121","0.0008","10.3911","0.001","8.3128","0.0008","90","","118.639","0.003","90","","630.15","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 6-deoxy-6-iodo-2,3-O-isopropylidene-α-D-mannopyranoside","","- C10 H17 I O5 -","- C10 H17 I O5 -","- C20 H34 I2 O10 -","2","1","XU5727","Gültekin, Zeynep; Frey, Wolfgang; Çaylak Delibaş, Nagihan; Hökelek, Tuncer","Methyl 6-deoxy-6-iodo-2,3-O-isopropylidene-α-D-mannopyranoside","Acta Crystallographica Section E","2013","69","9","o1449","o1450","10.1107/S1600536813022629","","","0.71073","MoKα","","0.0163","0.0162","","","0.0424","0.0425","","","","","","1.242","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238584","10.0914","0.0015","8.2388","0.0011","10.7592","0.001","90","","108.913","0.01","90","","846.24","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diyl dibenzoate","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","YK2098","Piccialli, Vincenzo; Zaccaria, Sabrina; Borbone, Nicola; Centore, Roberto; Tuzi, Angela","(3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diyl dibenzoate","Acta Crystallographica Section E","2013","69","9","o1396","o1397","10.1107/S1600536813021612","","","0.71073","MoKα","","0.0472","0.0346","","","0.0677","0.0726","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238586","6.3596","0.0019","18.495","0.003","8.3875","0.0015","90","","92.521","0.018","90","","985.6","0.4","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","Epibisdehydroneotuberostemonine J","(9R,10R,11S,14S,15R)-3-[(2S,5S)-4,5-dimethyloxolan-2-yl]-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0^4,16^.0^11,15^]hexadeca-1(16),2-dien-13-one","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C44 H58 N2 O8 -","2","1","ZL2558","Jin, Lu; Zhang, Rong-Rong; Tian, Hai-Yan; But, Paul Pui-Hay; Jiang, Ren-Wang","Epibisdehydroneotuberostemonine J","Acta Crystallographica Section E","2013","69","9","o1369","o1370","10.1107/S1600536813021077","","","0.71073","MoKα","","0.0767","0.0448","","","0.0818","0.0932","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238692","10.904","0.005","10.765","0.005","11.405","0.005","90","","91.681","0.005","90","","1338.2","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl 8-bromo-3-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-3a-carboxylate","","","- C30 H29 Br N2 O5 -","- C30 H29 Br N2 O5 -","- C60 H58 Br2 N4 O10 -","2","1","ZS2268","Sharmila, P.; Jagadeesan, G.; Raju, Rajesh; Raghavachary, Raghunathan; Aravindhan, S.","Methyl 8-bromo-3-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-3a-carboxylate","Acta Crystallographica Section E","2013","69","10","o1570","","10.1107/S1600536813024963","","","0.71073","MoKα","","0.0429","0.0297","","","0.0617","0.0652","","","","","","0.96","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238724","5.1524","0.0002","11.1467","0.0004","12.4478","0.0005","90","","99.967","0.004","90","","704.12","0.05","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(L-serinium) oxalate dihydrate","","- C8 H20 N2 O12 -","- C8 H20 N2 O12 -","- C16 H40 N4 O24 -","2","1","GK2581","Kulik, Marta; Pazio, Aleksandra; Wozniak, Krzysztof","Bis(L-serinium) oxalate dihydrate: polymorph II","Acta Crystallographica Section E","2013","69","11","o1667","o1668","10.1107/S160053681302727X","","","0.71073","MoKα","","0.0445","0.0316","","","0.0621","0.0653","","","","","","1.009","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238774","11.9315","0.0008","12.8805","0.001","15.3949","0.0013","90","","99.271","0.004","90","","2335","0.3","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis(μ-L-arginine-κ^3^N^2^,O:O')bis(L-arginine-κ^2^N^2^,O)tetra-μ-chlorido-tetrachloridotetracopper(II)","","- C6 H14 Cl2 Cu N4 O2 -","- C6 H14 Cl2 Cu N4 O2 -","- C48 H112 Cl16 Cu8 N32 O16 -","8","4","RK2413","Arularasan, P.; B.Sivakumar; Chakkaravarthi, G.; Mohan, R.","Bis(μ-L-arginine-κ^3^N^2^,O:O')bis(L-arginine-κ^2^N^2^,O)tetra-μ-chlorido-tetrachloridotetracopper(II)","Acta Crystallographica Section E","2013","69","11","m583","m584","10.1107/S1600536813026780","","","0.71073","MoKα","","0.0703","0.047","","","0.1013","0.1119","","","","","","0.978","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2238790","7.8312","0.0005","13.9334","0.0009","9.6313","0.0006","90","","112.269","0.002","90","","972.54","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","Tetra-n-butylammonium cyanotrihydroborate","N,N,N-Tributylbutan-1-aminium (T-4)-(cyano-κC)trihydroborate","","- C17 H39 B N2 -","- C17 H39 B N2 -","- C34 H78 B2 N4 -","2","1","SJ5361","Maris, Thierry","N,N,N-Tributylbutan-1-aminium (T-4)-(cyano-κC)trihydroborate","Acta Crystallographica Section E","2013","69","11","o1713","","10.1107/S1600536813028924","","","1.54178","CuKα","","0.0347","0.0346","","","0.0916","0.0919","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238806","6.048","0.003","7.312","0.004","9.024","0.005","90","","100.78","0.01","90","","392","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(1H-Pyrrol-2-yl)methyl]-1H-pyrrole","","- C9 H10 N2 -","- C9 H10 N2 -","- C18 H20 N4 -","2","1","TK5264","Kim, Chong-Hyeak; Jeon, Yea-Sel; Lynch, Vincent; Sessler, Jonathan L.; Hwang, Kwang-Jin","2-[(1H-Pyrrol-2-yl)methyl]-1H-pyrrole","Acta Crystallographica Section E","2013","69","11","o1697","","10.1107/S1600536813028365","","","0.71075","MoKα","","0.0815","0.0567","","","0.1195","0.1321","","","","","","1.048","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238808","13.439","0.003","15.636","0.003","18.644","0.004","90","","108.6","0.03","90","","3713.1","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl 2-(6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate","","- C40 H47 F N2 O5 -","- C40 H47 F N2 O5 -","- C160 H188 F4 N8 O20 -","4","2","VM2197","Wu, Ya-Ming","tert-Butyl 2-(6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate","Acta Crystallographica Section E","2013","69","11","o1621","","10.1107/S160053681302624X","","","0.71073","MoKα","","0.1243","0.059","","","0.0879","0.104","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238834","9.3327","0.0008","12.4575","0.0007","10.3103","0.0007","90","","105.469","0.008","90","","1155.27","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11aS)-1,5,11,11a-Tetrahydro-1-benzothieno[3,2-f]indolizin-3(2H)-one","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","BQ2390","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Kožíšek, Jozef","(11aS)-1,5,11,11a-Tetrahydro-1-benzothieno[3,2-f]indolizin-3(2H)-one","Acta Crystallographica Section E","2013","69","12","o1819","o1820","10.1107/S1600536813031693","","","0.71073","MoKα","","0.0735","0.0395","","","0.0581","0.0645","","","","","","0.944","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238839","6.5975","0.0002","15.2612","0.0003","8.2688","0.0002","90","","100.045","0.003","90","","819.79","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,3R,8R,10R)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C32 H48 Br4 O2 -","2","1","BT6944","Benharref, Ahmed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","(1S,3R,8R,10R)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2013","69","12","o1777","o1778","10.1107/S1600536813030936","","","1.54184","CuKα","","0.022","0.0219","","","0.0572","0.0573","","","","","","1.072","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238882","19.5","0.009","5.291","0.002","6.0809","0.0015","90","","94.27","0.03","90","","625.7","0.4","292","","292","","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-Benzyl 2,3-dideoxy-β-D-erythro-hex-2-enopyranoside","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","IS5321","Ohba, Shigeru; Okazaki, Hayato; Ueda, Yuji; Hanaya, Kengo; Shoji, Mitsuru; Sugai, Takeshi","({-})-Benzyl 2,3-dideoxy-β-D-erythro-hex-2-enopyranoside","Acta Crystallographica Section E","2013","69","12","o1811","","10.1107/S1600536813031140","","","0.71069","MoKα","","","0.0563","","","","0.2547","","","","","","1.044","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238919","15.007","0.002","10.3322","0.0008","16.019","0.002","90","","117.399","0.013","90","","2205.2","0.5","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(+)-cis-4'-Benzyloxypraziquantel","(S)-(+)-2-[cis-4-(Benzyloxy)cyclohexanecarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","2","RZ5093","Cedillo-Cruz, Alberto; Aguilar, María Isabel; Jung-Cook, Helgi","(S)-(+)-cis-4'-Benzyloxypraziquantel","Acta Crystallographica Section E","2013","69","12","o1835","o1836","10.1107/S1600536813031735","","","1.54184","CuKα","","0.0913","0.0521","","","0.1103","0.1373","","","","","","1.029","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238922","9.8073","0.0002","8.2784","0.0001","10.7741","0.0002","90","","95.015","0.001","90","","871.39","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","13-(Imidazol-1-yl)-11,13-dihydromelampomagnolide B monohydrate","(1aR,7aS,8R,10aS,10bS,E)-5-Hydroxymethyl-8-[(1H-imidazol-1-yl)methyl]-1a-methyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one monohydrate","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C36 H52 N4 O10 -","2","1","SJ5362","Janganati, Venumadhav; Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.","13-(Imidazol-1-yl)-11,13-dihydromelampomagnolide B monohydrate","Acta Crystallographica Section E","2013","69","12","o1734","o1735","10.1107/S1600536813029188","","","1.54178","CuKα","","0.0238","0.0237","","","0.061","0.0612","","","","","","1.043","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238932","7.473","0.002","11.977","0.004","9.661","0.003","90","","91.01","0.02","90","","864.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl N-(3-cyanopicolinoyl)-L-tryptophanate","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C38 H32 N8 O6 -","2","1","SU2666","Ovdiichuk, Olga; Hordiyenko, Olga; Voitenko, Zoia; Arrault, Axelle; Medviediev, Volodymyr","Methyl N-(3-cyanopicolinoyl)-L-tryptophanate","Acta Crystallographica Section E","2013","69","12","o1810","","10.1107/S160053681303153X","","","0.7107","MoKα","","0.108","0.0505","","","0.1068","0.1328","","","","","","0.925","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239017","10.824","0.002","20.021","0.004","11.826","0.002","90","","91.15","0.01","90","","2562.3","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Hydrido(prolinato-κ^2^N,O)tris(trimethylphosphane-κP)iridium hexafluoridophosphate","","- C14 H36 F6 Ir N O2 P4 -","- C14 H36 F6 Ir N O2 P4 -","- C56 H144 F24 Ir4 N4 O8 P16 -","4","2","PK2511","Merola, Joseph S.; Roy, Christopher P.","Hydrido(prolinato-κ^2^N,O)tris(trimethylphosphane-κP)iridium(III) hexafluoridophosphate","Acta Crystallographica Section E","2014","70","2","m73","m74","10.1107/S1600536814001834","","","0.71073","MoKα","","0.037","0.0315","","","0.0724","0.0751","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239048","7.631","0.004","10.878","0.007","8.35","0.003","90","","105.6","0.02","90","","667.6","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Ethyl-2,2-dimethyl-N-(3-methylphenyl)propanamide","","- C14 H21 N O -","- C14 H21 N O -","- C28 H42 N2 O2 -","2","1","HG5371","Palakshamurthy, B. S.; Suchetan, P. A.; Sreenivasa, S.; Lokanath, N. K.; Madhu Chakrapani Rao, T.","N-Ethyl-2,2-dimethyl-N-(3-methylphenyl)propanamide","Acta Crystallographica Section E","2014","70","2","o223","","10.1107/S1600536814001718","","","1.54178","CuKα","","0.0605","0.0571","","","0.1548","0.16","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239064","10.1324","0.0002","9.6887","0.0003","10.5399","0.0002","90","","106.537","0.002","90","","991.9","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,6-Dichloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine","","- C16 H16 Cl2 N4 O7 -","- C16 H16 Cl2 N4 O7 -","- C32 H32 Cl4 N8 O14 -","2","1","LD2116","Novosjolova, Irina; Stepanovs, Dmitrijs; Bizdēna, Ērika; Mishnev, Anatoly; Turks, Māris","2,6-Dichloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine","Acta Crystallographica Section E","2014","70","2","o108","o109","10.1107/S1600536813034521","","","0.71073","MoKα","","0.0754","0.0461","","","0.0942","0.107","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239159","6.4379","0.0002","7.8889","0.0003","13.5122","0.0005","90","","97.43","0.002","90","","680.49","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H24 O -","- C16 H24 O -","- C32 H48 O2 -","2","1","","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2014","70","1","o81","o82","10.1107/S1600536813034041","","","0.71073","MoKα","","0.0502","0.0413","","","0.1048","0.1112","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239162","8.4452","0.0003","13.2433","0.0005","15.3649","0.0006","90","","100.077","0.003","90","","1691.94","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride","","- C18 H23 Cl N2 O2 -","- C18 H23 Cl N2 O2 -","- C72 H92 Cl4 N8 O8 -","4","2","SJ5376","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride","Acta Crystallographica Section E","2014","70","1","o83","o84","10.1107/S1600536813033254","","","0.71073","MoKα","","0.0703","0.0423","","","0.0848","0.096","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239184","9.679","0.0004","7.071","0.0003","17.3117","0.0007","90","","94.872","0.002","90","","1180.54","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-{[4-(4-Bromophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 Br N2 O4 -","- C25 H33 Br N2 O4 -","- C50 H66 Br2 N4 O8 -","2","1","BT6970","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","12-{[4-(4-Bromophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2014","70","4","o497","o498","10.1107/S1600536814006473","","","0.71073","MoKα","","0.0357","0.0295","","","0.0737","0.0757","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239188","9.4964","0.0004","28.6497","0.0013","9.9511","0.0004","90","","96.727","0.004","90","","2688.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","2","FY2104","Gao, Yan-Jiao; Ma, Jie; Zheng, Xiao","(4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","4","o419","o420","10.1107/S1600536814003638","","","0.71073","MoKα","","0.0665","0.0481","","","0.1096","0.1225","","","","","","1.025","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2239195","8.66858","0.00016","21.82","0.0004","10.41956","0.00018","90","","108.171","0.0019","90","","1872.56","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","{2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","{2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C96 H80 N8 O4 S4 -","4","2","BT6971","Kaur, Manpreet; Jasinski, Jerry P.; Yamuna, Thammarse S.; Yathirajan, H. S.; Byrappa, K.","{2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","4","o501","o502","10.1107/S1600536814006345","","","1.54184","CuKα","","0.0408","0.0379","","","0.0955","0.0981","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239229","10.5563","0.001","5.7548","0.0005","11.7096","0.0013","90","","92.777","0.008","90","","710.52","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3S,8R,9S,10R)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H26 O -","- C16 H26 O -","- C32 H52 O2 -","2","1","","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1S,3S,8R,9S,10R)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2014","70","4","o480","","10.1107/S1600536814006230","","","0.71073","MoKα","","0.085","0.054","","","0.0867","0.1049","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239257","9.553","0.005","4.962","0.003","12.706","0.005","90","","104.117","0.005","90","","584.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Hydroxyisoquinolin-2-ium hydrogen succinate","1-Hydroxyisoquinolin-2-ium 3-carboxypropionate","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C26 H26 N2 O10 -","2","1","IS5349","Ambalatharasu, S.; Sankar, A.; Peramaiyan, G.; Chakkaravarthi, G.; Kanagadurai, R.","1-Hydroxyisoquinolin-2-ium hydrogen succinate","Acta Crystallographica Section E","2014","70","4","o491","","10.1107/S1600536814006485","","","0.71073","MoKα","","0.059","0.053","","","0.1585","0.1685","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239269","10.2233","0.0011","16.6581","0.0018","11.7146","0.0015","90","","95","0.001","90","","1987.4","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-closo-dodecaborane-2κ^2^P,P']di-μ-chlorido-1:2κ^4^Cl:Cl-dichlorido-1κ^2^Cl-dimercury(II)","","- C26 H54 B10 Cl4 Hg2 P2 -","- C26 H54 B10 Cl4 Hg2 P2 -","- C52 H108 B20 Cl8 Hg4 P4 -","2","1","RZ5109","Yang, Liguo","[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-closo-dodecaborane-2κ^2^P,P']di-μ-chlorido-1:2κ^4^Cl:Cl-dichlorido-1κ^2^Cl-dimercury(II)","Acta Crystallographica Section E","2014","70","4","m140","","10.1107/S1600536814006096","","","0.71073","MoKα","","0.0545","0.0491","","","0.1416","0.1477","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239276","9.1703","0.0004","10.2234","0.0005","9.2681","0.0004","90","","108.539","0.001","90","","823.81","0.06","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Trichodermaerin","(4E)-4,9,15,16,16-Pentamethyl-6-oxatetracyclo[10.3.1.0^1,10^.0^5,9^]hexadec-4-ene-7,13-dione","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","HB7180","Chantrapromma, Suchada; Jeerapong, Chotika; Phupong, Worrapong; Quah, Ching Kheng; Fun, Hoong-Kun","Trichodermaerin: a diterpene lactone from Trichoderma asperellum","Acta Crystallographica Section E","2014","70","4","o408","o409","10.1107/S1600536814004632","","","0.71073","MoKα","","0.0259","0.0257","","","0.0688","0.0691","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239287","6.7828","0.0002","16.8263","0.0006","10.4004","0.0004","90","","93.354","0.003","90","","1184.96","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-(4-fluoro-phenyl)-2H-pyrazol-1-ium trifluoro-acetate","5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate","","- C11 H8 F4 N2 O2 -","- C11 H8 F4 N2 O2 -","- C44 H32 F16 N8 O8 -","4","2","SU2707","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate","Acta Crystallographica Section E","2014","70","4","o429","o430","10.1107/S1600536814005200","","","0.71073","MoKα","","0.0754","0.0494","","","0.0958","0.1097","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239311","5.5794","0.0001","15.6118","0.0003","8.0653","0.0002","90","","98.913","0.001","90","","694.04","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{(3aR,5S,6R,6aR)-5-[(R)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl methanesulfonate","","- C11 H20 O8 S -","- C11 H20 O8 S -","- C22 H40 O16 S2 -","2","1","","Rjabovs, Vitālijs; Mishnev, Anatoly; Kiselovs, Glebs; Turks, Māris","{(3aR,5S,6R,6aR)-5-[(R)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl methanesulfonate","Acta Crystallographica Section E","2014","70","5","o524","o525","10.1107/S1600536814007387","","","0.71073","MoKα","","0.0303","0.0273","","","0.063","0.0646","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239330","11.642","0.002","8.5455","0.0016","11.846","0.002","90","","116.106","0.003","90","","1058.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-N-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline","","- C10 H8 Br F3 N2 -","- C10 H8 Br F3 N2 -","- C40 H32 Br4 F12 N8 -","4","2","CV5449","Bunev, Alexander S.; Vasiliev, Maksim A.; Ostapenko, Gennady I.; Peregudov, Alexander S.; Khrustalev, Victor N.","(Z)-N-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline","Acta Crystallographica Section E","2014","70","5","o550","","10.1107/S1600536814007867","","","0.71073","MoKα","","0.0579","0.0467","","","0.1135","0.1182","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239349","10.715","0.0003","11.1039","0.0002","16.3611","0.0004","90","","100.975","0.002","90","","1911.01","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]","","- C24 H42 Ce2 O30 -","- C24 H12 Ce2 O30 -","- C48 H24 Ce4 O60 -","2","1","LR2124","Fan, Xiao; Daiguebonne, Carole; Guillou, Olivier; Camara, Magatte","Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]","Acta Crystallographica Section E","2014","70","5","m181","m182","10.1107/S1600536814007727","","","0.71073","MoKα","","0.0423","0.0349","","","0.0838","0.0882","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239368","10.8558","0.0015","6.1867","0.0009","12.3057","0.0017","90","","94.911","0.004","90","","823.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-Ethyl S-{(S)-1-oxo-1-[(R)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate","","- C15 H17 N O4 S2 -","- C15 H17 N O4 S2 -","- C30 H34 N2 O8 S4 -","2","1","SU2715","García-Merinos, J. Pablo; López-Ruiz, Heraclio; López, Yliana; Rojas-Lima, Susana","O-Ethyl S-{(S)-1-oxo-1-[(R)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate","Acta Crystallographica Section E","2014","70","5","o584","o585","10.1107/S1600536814007636","","","0.71073","MoKα","","0.1195","0.0665","","","0.1489","0.1908","","","","","","0.871","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239369","6.297","0.003","16.418","0.008","12.29","0.006","90","","90.997","0.007","90","","1270.4","1.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","","- C11 H11 Cl N4 O S -","- C11 H11 Cl N4 O S -","- C44 H44 Cl4 N16 O4 S4 -","4","2","HB7205","Yuan, Cai-Xia; Yao, Xu-Mei; Zhu, Miao-Li; Zhu, Hong-Mei","4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","5","o574","o575","10.1107/S1600536814008320","","","0.71073","MoKα","","0.0544","0.0368","","","0.0764","0.0841","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239393","7.425","0.0002","10.5716","0.0003","12.0747","0.0003","90","","90.124","0.002","90","","947.79","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate","Acta Crystallographica Section E","2014","70","3","o317","","10.1107/S1600536814002748","","","1.54184","CuKα","","0.0288","0.0286","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239446","8.903","0.003","21.732","0.006","12.335","0.004","90","","108.48","0.004","90","","2263.5","1.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[tetrakis(pyridin-2-yl)methane-κ^3^N,N',N'']cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate","","- C47 H32 Co2 N12 O S4 -","- C47 H32 Co2 N12 O S4 -","- C94 H64 Co4 N24 O2 S8 -","2","1","","Tsunezumi, Yuya; Matsumoto, Kouzou; Hayami, Shinya; Fuyuhiro, Akira; Kawata, Satoshi","Bis[tetrakis(pyridin-2-yl)methane-κ^3^N,N',N'']cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","3","m96","m97","10.1107/S160053681400289X","","","0.71075","MoKα","","","0.0335","","","","0.0706","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239466","8.9362","0.0002","6.8766","0.0002","15.5039","0.0004","90","","91.54","0.001","90","","952.38","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-\ methylbenzenesulfonamide","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","TK5292","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.","N-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o248","o249","10.1107/S1600536814002189","","","1.54178","CuKα","","0.0322","0.0277","","","0.0628","0.0656","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239491","5.9617","0.001","12.068","0.002","9.5909","0.0015","90","","95.789","0.008","90","","686.51","0.19","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2R,3S,6S,7R)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","BT6976","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1S,2R,3S,6S,7R)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol","Acta Crystallographica Section E","2014","70","5","o595","","10.1107/S1600536814008642","","","0.71073","MoKα","","0.0524","0.0454","","","0.1252","0.1312","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239493","5.837","0.003","21.021","0.01","7.884","0.004","90","","100.256","0.007","90","","951.9","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C40 H42 N2 O12 S2 -","2","1","HG5390","Li, Feng; Zhao, Ming-Zhong; Jin, Chun-Hua; Zou, Jian-Wei","(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate","Acta Crystallographica Section E","2014","70","5","o606","","10.1107/S1600536814009106","","","0.71073","MoKα","","0.041","0.0354","","","0.0872","0.0914","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239519","8.0097","0.0002","12.1155","0.0004","11.3627","0.0003","90","","95.077","0.003","90","","1098.33","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","deacetylcinobufalactam monohydrate","Deacetylcinobufalactam monohydrate","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C48 H70 N2 O10 -","2","1","ZS2298","Tang, Hong-Jin; Yuan, Xiao-Feng; Tian, Hai-Yan; Ruan, Li-Juan; Jiang, Ren-Wang","Deacetylcinobufalactam monohydrate","Acta Crystallographica Section E","2014","70","6","o651","o652","10.1107/S1600536814010046","","","1.54184","CuKα","","0.0336","0.0312","","","0.0784","0.0806","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239524","9.8154","0.0006","10.4283","0.0009","13.4508","0.0009","90","","108.796","0.005","90","","1303.37","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Buprenorphine","(2S)-2-[(5R,6R,7R,14S)-9α-Cyclopropylmethyl-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethanomorphinan-7-yl]-3,3-dimethylbutan-2-ol","","- C29 H41 N O4 -","- C29 H41 N O4 -","- C58 H82 N2 O8 -","2","1","","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Anna; Cox, Phillip D.; Minardi, Mathew D.","Buprenorphine","Acta Crystallographica Section E","2014","70","6","o635","","10.1107/S1600536814009672","","","0.71073","MoKα","","0.0602","0.0521","","","0.137","0.1455","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239573","9.0635","0.0004","6.3973","0.0003","13.9872","0.0007","90","","104.241","0.005","90","","786.08","0.07","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","XU5788","Chen, Shao-Yuan; Zhang, Ya-Ping; Huang, Bing; Yu, Jia-Jun; Shi, Wei-Yong","1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene","Acta Crystallographica Section E","2014","70","6","o671","","10.1107/S1600536814010204","","","1.5418","CuKα","","0.0475","0.0386","","","0.1041","0.1137","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239592","9.472","0.002","8.8083","0.0019","12.335","0.003","90","","111.459","0.004","90","","957.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene","","- C20 H16 F4 N2 S2 -","- C20 H16 F4 N2 S2 -","- C40 H32 F8 N4 S4 -","2","1","BH2498","Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang","2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene","Acta Crystallographica Section E","2014","70","6","o698","","10.1107/S1600536814011398","","","0.71073","MoKα","","0.0545","0.0478","","","0.1221","0.129","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239609","4.61595","0.00013","17.6844","0.0004","11.7068","0.0003","90","","91.285","0.003","90","","955.39","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C44 H36 N4 O6 S2 -","2","1","TK5318","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, H. S.; Byrappa, K.","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","6","o738","o739","10.1107/S1600536814012185","","","1.54184","CuKα","","0.037","0.0346","","","0.0882","0.0898","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239651","6.1057","0.0002","12.1389","0.0002","9.2737","0.0002","90","","99.302","0.002","90","","678.3","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Corymbolone","(4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Burrett, Stacey; Taylor, Dennis K.; Tiekink, Edward R. T.","Corymbolone","Acta Crystallographica Section E","2014","70","7","o758","","10.1107/S1600536814012938","","","1.54184","CuKα","","0.0304","0.0303","","","0.0827","0.0829","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239669","6.0141","0.0005","7.8839","0.0008","13.5992","0.0014","90","","94.442","0.006","90","","642.86","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[4-(Allyloxy)phenyl](phenyl)methanone","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","LD2129","D'Vries, Richard F.; Grande, Carlos D.; Chaur, Manuel N.; Ellena, Javier A.; Advincula, Rigoberto C.","[4-(Allyloxy)phenyl](phenyl)methanone","Acta Crystallographica Section E","2014","70","7","o814","o815","10.1107/S1600536814014342","","","0.71073","MoKα","","0.0916","0.0487","","","0.1106","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239681","9.0437","0.0003","13.2792","0.0006","9.8199","0.0005","90","","104.694","0.003","90","","1140.73","0.09","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4R)-3-Hydroxy-7-isopropyl-4-methyl-5,6-dihydrobenzofuran-2(4H)-one","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","JJ2187","Heinemann, Frank W.; Herrera, Alberto; Agrifoglio, Giuseppe; Dorta, Romano; Pastrán, Jesús","(4R)-3-Hydroxy-7-isopropyl-4-methyl-5,6-dihydrobenzofuran-2(4H)-one","Acta Crystallographica Section E","2014","70","7","o824","","10.1107/S1600536814014524","","","0.71073","MoKα","","0.0432","0.037","","","0.0977","0.1034","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239696","7.4461","0.0001","11.0289","0.0002","33.7892","0.0006","90","","90.579","0.002","90","","2774.7","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl]propan-2-ol","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","4","","Burrett, Stacey; Taylor, Dennis K.; Tiekink, Edward R. T.","2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl]propan-2-ol","Acta Crystallographica Section E","2014","70","7","o776","o777","10.1107/S1600536814013543","","","1.54184","CuKα","","0.1039","0.1021","","","0.2759","0.278","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239733","12.2678","0.0005","16.0544","0.0006","12.9903","0.0005","90","","104.448","0.002","90","","2477.55","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-28-norolea-12,17-dien-11-one","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","2","FY2111","Seebacher, Werner; Weis, Robert; Faist, Johanna; Saf, Robert; Belaj, Ferdinand","3β-Hydroxy-28-norolea-12,17-dien-11-one","Acta Crystallographica Section E","2014","70","8","o842","","10.1107/S1600536814014998","","","0.71073","MoKα","","0.0474","0.0378","","","0.0948","0.1025","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239764","7.7369","0.0003","7.2079","0.0004","20.2499","0.0009","90","","99.816","0.004","90","","1112.74","0.09","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl benzoate","","- C27 H34 O2 -","- C27 H34 O2 -","- C54 H68 O4 -","2","1","","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl benzoate","Acta Crystallographica Section E","2014","70","8","o866","o867","10.1107/S1600536814015827","","","1.54184","CuKα","","0.0408","0.0379","","","0.0917","0.0947","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239782","11.4079","0.0006","13.1968","0.0008","14.3681","0.0007","90","","96.387","0.005","90","","2149.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-methylphenyl)-3-nitropyridin-2-amine","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","4","HB0011","Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","Crystal structure of a new monoclinic polymorph of N-(4-methylphenyl)-3-nitropyridin-2-amine","Acta Crystallographica Section E","2014","70","8","58","61","10.1107/S1600536814012227","","","1.54184","CuKα","","0.0614","0.0426","","","0.108","0.1236","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239811","6.323","0.004","16.459","0.011","12.461","0.008","90","","90.33","0.009","90","","1296.8","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","","- C11 H11 Br N4 O S -","- C11 H11 Br N4 O S -","- C44 H44 Br4 N16 O4 S4 -","4","2","FY2115","Yuan, Cai-Xia; Lan, Shu-Fen; Liu, Xin-Yu; Zhu, Miao-Li","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","8","o881","o882","10.1107/S1600536814016833","","","0.71073","MoKα","","0.0449","0.0308","","","0.0603","0.0646","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239846","9.2116","0.0009","5.5052","0.0004","10.2279","0.0008","90","","107.411","0.009","90","","494.91","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanol","","- C9 H6 F3 N O S -","- C9 H6 F3 N O S -","- C18 H12 F6 N2 O2 S2 -","2","1","LH5717","Shishkina, Svitlana V.; Kucher, Olexandr V.; Kolodiazhnaya, Anastasiya O.; Smolii, Oleg B.; Tolmachev, Andrey A.","Crystal structure of (S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol","Acta Crystallographica Section E","2014","70","9","o946","","10.1107/S1600536814016547","","","0.71073","MoKα","","0.053","0.0417","","","0.1003","0.1075","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239884","5.6744","0.0007","22.384","0.003","5.9991","0.0007","90","","105.372","0.012","90","","734.72","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^1^-Benzyl-N^1^,N^2^,N^2^-trimethylethane-1,2-diaminium dichloride","","- C12 H22 Cl2 N2 -","- C12 H22 Cl2 N2 -","- C24 H44 Cl4 N4 -","2","1","HB7244","Singh, Pushpendra; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of N^1^-benzyl-N^1^,N^2^,N^2^-trimethylethane-1,2-diaminium dichloride","Acta Crystallographica Section E","2014","70","9","o911","o912","10.1107/S1600536814015797","","","1.54178","CuKα","","0.083","0.0823","","","0.2283","0.229","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239910","4.472","0.004","5.353","0.004","17.573","0.012","90","","93.71","0.04","90","","419.8","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Ethylpyrazolo[3,4-d]pyrimidine-4(5H)-thione","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C14 H16 N8 S2 -","2","1","HB7262","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-ethylpyrazolo[3,4-d]pyrimidine-4(5H)-thione","Acta Crystallographica Section E","2014","70","9","o1005","o1006","10.1107/S160053681401825X","","","0.71073","MoKα","","0.0895","0.0531","","","0.1183","0.1387","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239915","8.2699","0.0007","13.1235","0.0012","10.0026","0.0009","90","","110.379","0.005","90","","1017.64","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(1-Allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-\ methoxybenzenesulfonamide","","- C19 H20 Cl N3 O4 S -","- C19 H20 Cl N3 O4 S -","- C38 H40 Cl2 N6 O8 S2 -","2","1","SU2771","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of N-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o1029","o1030","10.1107/S1600536814018492","","","0.71073","MoKα","","0.0448","0.035","","","0.0816","0.0877","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239927","8.877","0.003","9.914","0.003","10.294","0.003","90","","110.565","0.005","90","","848.2","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-2,3-Dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione","","- C18 H14 Cl2 O4 -","- C18 H14 Cl2 O4 -","- C36 H28 Cl4 O8 -","2","1","FY2117","Tittal, Ram K.; Kumar, Satish; Ram, R. N.","Crystal structure of (Z)-2,3-dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2014","70","9","o1049","o1050","10.1107/S1600536814018790","","","0.71073","MoKα","","0.0598","0.0565","","","0.1322","0.1343","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2240004","10.9391","0.0006","10.4655","0.0004","13.3159","0.0005","90","","97.419","0.004","90","","1511.68","0.12","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","moexipril hydrochloride","[(2S)-1-[(3S)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate","","- C29 H38 Cl N3 O7 -","- C29 H38 Cl N3 O7 -","- C58 H76 Cl2 N6 O14 -","2","1","KQ2014","Li, Ai-zhen; Xu, Wen-jie","Crystal structure of [(2S)-1-[(3S)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","10","o1126","o1127","10.1107/S160053681402090X","","","1.54184","CuKα","","0.0341","0.0331","","","0.0858","0.0869","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240038","8.894","0.002","13.7187","0.0016","10.68","0.002","90","","111.575","0.017","90","","1211.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4'-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl-\ methyl)-biphenyl-4-ol methanol disolvate","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","HB7266","Altomare, Angela; Capparelli, Elena; Carrieri, Antonio; Colabufo, Nicola A.; Moliterni, Anna; Rizzi, Rosanna; Siliqi, Dritan","Crystallographic study of PET radiotracers in clinical evaluation for early diagnosis of Alzheimers","Acta Crystallographica Section E","2014","70","11","o1149","o1150","10.1107/S1600536814021400","","","0.71073","MoKα","","0.1666","0.0607","","","0.0899","0.1147","","","","","","0.964","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240044","9.2752","0.0004","35.7838","0.0015","10.9515","0.0005","90","","100.721","0.004","90","","3571.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Triphenyl(vinyl)phosphonium tetraphenylborate","","- C45 H40 B P -","- C45 H40 B P -","- C180 H160 B4 P4 -","4","2","","Bradfield, Joseph L.; Braun, Richard A.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; Mirjafari, Arsalan","Crystal structure of triphenyl(vinyl)phosphonium tetraphenylborate","Acta Crystallographica Section E","2014","70","10","o1143","","10.1107/S1600536814021357","","","0.7107","MoKα","","0.088","0.058","","","0.0947","0.1054","","","","","","1.011","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240047","7.511","0.0005","4.9298","0.0003","16.6625","0.0016","90","","93.268","0.006","90","","615.97","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","LH5729","Kote, Santosh R.; Thopate, Shankar R.; Gupta, Sushil K.; Butcher, Ray J.","Crystal structure of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one","Acta Crystallographica Section E","2014","70","10","o1141","o1142","10.1107/S1600536814021370","","","0.71073","MoKα","","0.1409","0.0592","","","0.0976","0.1263","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240109","5.36167","0.00008","9.01474","0.00014","9.78623","0.00017","90","","102.814","0.0016","90","","461.228","0.013","140","2","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium (1R)-D-ribit-1-ylsulfonate","Potassium (1R,2R,3R,4R)-1,2,3,4,5-pentahydroxypentane-1-sulfonate","","- C5 H11 K O8 S -","- C5 H11 K O8 S -","- C10 H22 K2 O16 S2 -","2","1","","Haines, Alan H.; Hughes, David L.","Crystal structure of potassium (1R)-D-ribit-1-ylsulfonate","Acta Crystallographica Section E","2014","70","11","406","409","10.1107/S1600536814022685","","","0.71073","Mo-Kα","","0.0215","0.0207","","","0.052","0.0525","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240119","10.535","0.003","7.984","0.002","13.481","0.004","90","","103.519","0.005","90","","1102.5","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","wwb03","(R~S~)-N-[(1S,2R)-2-Benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide","","- C23 H33 N O2 S -","- C23 H33 N O2 S -","- C46 H66 N2 O4 S2 -","2","1","SU2794","Carbone, Matthew R.; Centola, Garrick A.; Haas, Adam; McClelland, Kevin P.; Moskowitz, Michael D.; Verderame, Angelo M.; Olezeski, Mikael S.; Papa, Louis J.; Dorn, Stephanie C. M.; Brennessel, William W.; Weix, Daniel J.","Crystal structures of (R~S~)-N-[(1R,2S)-2-benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide and (R~S~)-N-[(1S,2R)-2-benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols","Acta Crystallographica Section E","2014","70","11","365","369","10.1107/S1600536814022570","","","0.71073","MoKα","","0.0816","0.0554","","","0.1127","0.1255","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240131","7.1568","0.0003","12.6416","0.0005","19.1519","0.0008","90","","93.729","0.004","90","","1729.07","0.12","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","nicotinium 5-sulfosalicylate","(1R,2S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-1-ium 3-carboxy-4-hydroxybenzenesulfonate","","- C17 H20 N2 O6 S -","- C17 H20 N2 O6 S -","- C68 H80 N8 O24 S4 -","4","2","LH5736","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the proton-transfer salts of nicotine with 3,5-dinitrosalicylic acid and 5-sulfosalicylic acid","Acta Crystallographica Section E","2014","70","11","430","434","10.1107/S1600536814023253","","","0.71073","MoKα","","0.056","0.0457","","","0.1008","0.1079","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240148","7.6233","0.0006","12.8461","0.001","9.4625","0.0007","90","","98.155","0.001","90","","917.29","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[diaqua(4,5-diazafluoren-9-one-κ^2^N,N')cadmium]-μ-2-hydroxy-5-sulfonatobenzoato-κ^3^O^1^,O^1'^:O^5^]","","- C18 H14 Cd N2 O9 S -","- C18 H14 Cd N2 O9 S -","- C36 H28 Cd2 N4 O18 S2 -","2","1","","Wang, Chun-Xiang; Li, Zhi-Feng","Crystal structure of catena-poly[[diaqua(4,5-diazafluoren-9-one-κ^2^N,N')cadmium]-μ-2-hydroxy-5-sulfonatobenzoato-κ^3^O^1^,O^1'^:O^5^]","Acta Crystallographica Section E","2014","70","11","m387","m388","10.1107/S1600536814023472","","","0.71073","MoKα","","0.0151","0.0148","","","0.0373","0.0374","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240218","9.1491","0.0007","10.3099","0.0008","11.9347","0.001","90","","111.587","0.002","90","","1046.8","0.14","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(Z)-3-{3-(4-Chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one","","- C24 H14 Cl2 N2 O2 S -","- C24 H14 Cl2 N2 O2 S -","- C48 H28 Cl4 N4 O4 S2 -","2","1","ZS2320","Kayalvizhi, M.; Vasuki, G.; Kumar, R. Raj; Rao, V. Rajeswar","Crystal structure of (Z)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one","Acta Crystallographica Section E","2014","70","12","o1268","o1269","10.1107/S1600536814024775","","","0.71073","MoKα","","0.0629","0.0341","","","0.0646","0.0754","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240226","4.6205","0.0002","21.9423","0.001","21.1737","0.001","90","","93.263","0.002","90","","2143.2","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Propaquizafop","2-(Propan-2-ylideneaminooxy)ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate","","- C22 H22 Cl N3 O5 -","- C22 H22 Cl N3 O5 -","- C88 H88 Cl4 N12 O20 -","4","2","HG5418","Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Crystal structure of propaquizafop","Acta Crystallographica Section E","2014","70","12","o1266","o1267","10.1107/S1600536814024751","","","0.71073","MoKα","","0.0883","0.0537","","","0.0925","0.1031","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240247","6.959","0.0006","4.0517","0.0003","13.5858","0.0012","90","","91.754","0.008","90","","382.88","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxyquinazoline","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Crystal structure of 4-methoxyquinazoline","Acta Crystallographica Section E","2014","70","12","o1279","","10.1107/S1600536814025082","","","1.54184","CuKα","","0.0584","0.0538","","","0.1534","0.1585","","","","","","1.075","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240248","15.9691","0.0004","8.342","0.0002","19.1245","0.0005","90","","101.253","0.002","90","","2498.68","0.11","124","2","124","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2R,3S,4R,5R)-5-(1,3-Dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol","","- C20 H42 O3 S2 Si -","- C20 H42 O3 S2 Si -","- C80 H168 O12 S8 Si4 -","4","2","","Cruz-Montanez, Alejandra; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(2R,3S,4R,5R)-5-(1,3-dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol","Acta Crystallographica Section E","2014","70","12","o1285","o1286","10.1107/S160053681402443X","","","1.54178","CuKα","","0.041","0.0355","","","0.0839","0.0876","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240254","5.7173","0.001","7.7671","0.0012","21.955","0.004","90","","95.136","0.004","90","","971","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate","","- C18 H19 Cl N6 O4 -","- C18 H19 Cl N6 O4 -","- C36 H38 Cl2 N12 O8 -","2","1","RK2425","Qin, Yong-Qi; Xue, Jin-hui; Qiao, Yuan-Biao; Zhang, Zi-Feng","Crystal structure of bis(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate","Acta Crystallographica Section E","2014","70","12","o1290","o1291","10.1107/S1600536814024829","","","0.71073","MoKα","","0.0887","0.0533","","","0.1203","0.1373","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240287","5.9548","0.0003","10.551","0.0004","8.5747","0.0003","90","","100.568","0.002","90","","529.6","0.04","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2-Dichloro-1-(piperidin-1-yl)butane-1,3-dione","","- C9 H13 Cl2 N O2 -","- C9 H13 Cl2 N O2 -","- C18 H26 Cl4 N2 O4 -","2","1","","Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)butane-1,3-dione","Acta Crystallographica Section E","2015","71","1","o19","","10.1107/S2056989014026164","","","0.71073","MoKα","","0.0244","0.0239","","","0.0587","0.0592","","","","","","1.087","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240294","6.0101","0.0004","7.176","0.0005","9.8528","0.0006","90","","93.19","0.004","90","","424.28","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","γ-Methy-L-glutamate N-carboxy anhydride","(S)-4-[2-(Methoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione","","- C7 H9 N O5 -","- C7 H9 N O5 -","- C14 H18 N2 O10 -","2","1","IS5376","Kanazawa, Hitoshi; Inada, Aya; Sakon, Aya; Uekusa, Hidehiro","Crystal structure of γ-methyl L-glutamate N-carboxy anhydride","Acta Crystallographica Section E","2015","71","1","48","50","10.1107/S2056989014026917","","","1.54186","CuKα","","0.0594","0.0421","","","0.0826","0.0881","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240306","7.704","0.006","16.706","0.012","11.617","0.009","90","","93.88","0.014","90","","1492","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","PAIMP","(E)-2-{[(4-Anilinophenyl)imino]methyl}phenol","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","2","SU5028","Faizi, Md. Serajul Haque; Iskenderov, Turganbay S.; Sharkina, Natalia O.","Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","1","28","30","10.1107/S2056989014026309","","","0.71073","MoKα","","0.0596","0.0448","","","0.1102","0.1267","","","","","","0.971","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240320","6.33","0.0001","22.0241","0.0005","10.1179","0.0002","90","","95.2083","0.0012","90","","1404.74","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2R,4S)-1-[(Morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","2","RZ5144","Outouch, Rachid; Oubaassine, Saadia; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke","Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol","Acta Crystallographica Section E","2015","71","1","79","81","10.1107/S2056989014027169","","","0.71073","MoKα","","0.0326","0.031","","","0.081","0.0823","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240335","10.4965","0.0005","12.8118","0.0006","10.881","0.0004","90","","107.771","0.005","90","","1393.45","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[aqualithium(I)]-μ-pyrimidine-2-carboxylato-κ^4^N^1^,O^2^:N^3^,O^2'^] hemihydrate]","","- C5 H6 Li N2 O3.5 -","- C5 H6 Li N2 O3.5 -","- C40 H48 Li8 N16 O28 -","8","4","BG2542","Starosta, Wojciech; Leciejewicz, Janusz","Crystal structure of catena-poly[[[aqualithium(I)]-μ-pyrimidine-2-carboxylato-κ^4^N^1^,O^2^:N^3^,O^2'^] hemihydrate]","Acta Crystallographica Section E","2015","71","1","76","78","10.1107/S2056989014026735","","","1.54184","CuKα","","0.0841","0.0606","","","0.1527","0.1773","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240368","6.6198","0.0008","16.8318","0.0018","7.9506","0.0009","90","","97.141","0.011","90","","879.01","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-N'-{[(1R,3R)-3-Isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide","","- C17 H24 N2 O3 S -","- C17 H24 N2 O3 S -","- C34 H48 N4 O6 S2 -","2","1","","Tymann, David; Dragon, Dina Christina; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin","Crystal structure of (E)-N'-{[(1R,3R)-3-isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","2","o99","o100","10.1107/S2056989014026747","","","0.71073","MoKα","","0.0561","0.0437","","","0.085","0.0911","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240378","4.4953","0.0012","29.14","0.008","6.3889","0.0016","90","","97.86","0.009","90","","829","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,5-Dibenzyl-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione","","- C19 H16 N4 S -","- C19 H16 N4 S -","- C38 H32 N8 S2 -","2","1","TK5354","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","The crystal structure of 1,5-dibenzyl-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione","Acta Crystallographica Section E","2015","71","2","o95","o96","10.1107/S205698901402828X","","","0.71073","MoKα","","0.0745","0.0407","","","0.0742","0.084","","","","","","0.974","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240397","9.6982","0.0014","7.4802","0.0012","10.8293","0.0017","90","","111.252","0.005","90","","732.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ethyl 5-methoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-triene-13-carboxylate","Ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C30 H36 N4 O10 -","2","1","SU5057","Dhandapani, A.; Manivarman, S.; Subashchandrabose, S.; Gunasekaran, B.","Crystal structure of ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate","Acta Crystallographica Section E","2015","71","2","o117","o118","10.1107/S2056989015000559","","","0.71073","MoKα","","0.1091","0.0713","","","0.1621","0.1749","","","","","","1.14","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240474","8.7736","0.0002","8.8396","0.0002","17.681","0.0004","90","","98.822","0.0009","90","","1355.03","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","HB7347","Price, Ivy K.; Rougeot, Celine; Hein, Jason E.","Crystal structure of (S)-5,7-diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine","Acta Crystallographica Section E","2015","71","4","o220","o221","10.1107/S2056989015002996","","","1.54178","CuKα","","0.0548","0.0542","","","0.1193","0.1205","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240507","6.7987","0.0003","17.891","0.001","15.7161","0.0008","90","","100.482","0.004","90","","1879.74","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[[bis[(R)-propane-1,2-diamine-κ^2^N,N']copper(II)]-μ-cyanido-κ^2^N:C-[tris(cyanido-κC)(nitroso-κN)iron(III)]-μ-cyanido-κ^2^C:N] monohydrate]","","- C11 H22 Cu Fe N10 O2 -","- C11 H22 Cu Fe N10 O2 -","- C44 H88 Cu4 Fe4 N40 O8 -","4","2","","Sereda, Olha; Stoeckli-Evans, Helen","Crystal structures of {[Cu(Lpn)~2~][Fe(CN)~5~(NO)]·H~2~O}~n~ and {[Cu(Lpn)~2~]~3~[Cr(CN)~6~]~2~·5H~2~O}~n~ [where Lpn = (R)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers","Acta Crystallographica Section E","2015","71","4","392","397","10.1107/S2056989015005253","","","0.71073","MoKα","","0.0401","0.0313","","","0.0743","0.0775","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240508","10.1474","0.001","17.6136","0.001","15.5376","0.0014","90","","103.973","0.011","90","","2694.9","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[hexa-μ-cyanido-κ^12^C:N-hexacyanido-κ^6^C-hexakis[(R)-propane-1,2-diamine-κ^2^N,N']dichromiun(III)tricopper(II)] pentahydrate]","","- C30 H70 Cr2 Cu3 N24 O5 -","- C30 H68 Cr2 Cu3 N24 O5 -","- C60 H136 Cr4 Cu6 N48 O10 -","2","1","","Sereda, Olha; Stoeckli-Evans, Helen","Crystal structures of {[Cu(Lpn)~2~][Fe(CN)~5~(NO)]·H~2~O}~n~ and {[Cu(Lpn)~2~]~3~[Cr(CN)~6~]~2~·5H~2~O}~n~ [where Lpn = (R)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers","Acta Crystallographica Section E","2015","71","4","392","397","10.1107/S2056989015005253","","","0.71073","MoKα","","0.1223","0.0521","","","0.1109","0.1307","","","","","","0.787","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240589","5.3165","0.0003","10.5098","0.0004","13.6201","0.0007","90","","98.527","0.005","90","","752.62","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-3-[(naphthalen-1-yloxy)methyl]quinoline","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0344","0.0332","","","0.0883","0.0897","","","","","","1.075","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240591","7.355","0.0003","32.982","0.001","12.8849","0.0004","90","","90.709","0.003","90","","3125.41","0.19","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Anagyrine perchlorate","","- C15 H21 Cl N2 O5 -","- C15 H21 Cl N2 O5 -","- C120 H168 Cl8 N16 O40 -","8","4","","Turgunov, Kambarali K.; Rakhimov, Shukhrat B.; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir","Crystal structure of anagyrine perchlorate","Acta Crystallographica Section E","2015","71","5","o343","o344","10.1107/S2056989015007781","","","1.54184","CuKα","","0.0896","0.0644","","","0.156","0.1892","","","","","","1.02","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240622","6.3432","0.0006","9.5219","0.0009","12.4556","0.0015","90","","101.665","0.01","90","","736.77","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","tert-butyldiphenylphosphine oxide","tert-Butyldiphenylphosphine oxide","","- C16 H19 O P -","- C16 H19 O P -","- C32 H38 O2 P2 -","2","1","","Agbeworvi, George; Assefa, Zerihun; Sykora, Richard E.; Taylor, Jared D.","Crystal structure of tert-butyldiphenylphosphine oxide","Acta Crystallographica Section E","2015","71","6","o400","","10.1107/S2056989015008919","","","0.71073","MoKα","","0.0648","0.0443","","","0.0789","0.0859","","","","","","1.05","","","","has coordinates,has Fobs","136414","2020-10-21","18:00:00",""
"2240624","8.3416","0.0002","10.5161","0.0002","10.279","0.0002","90","","112.212","0.001","90","","834.77","0.03","173","","173.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Diphenylphosphoryl)-3,3-dimethylbutan-2-one","","- C18 H21 O2 P -","- C18 H21 O2 P -","- C36 H42 O4 P2 -","2","1","SU5111","Leach, Erin G.; Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of 1-(4-chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one and 1-(diphenylphosphoryl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section E","2015","71","5","523","527","10.1107/S2056989015006994","","","1.54178","CuKα","","0.0473","0.0417","","","0.1143","0.1179","","","","","","1.131","","","","has coordinates,has Fobs","136415","2020-10-21","18:00:00",""
"2240639","14.8343","0.0011","8.4771","0.0006","21.8112","0.0017","90","","91.78","0.007","90","","2741.5","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methoxyphenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-4-O-(9-fluorenylmethyloxycarbonyl)-α-D-glucopyranosyl]-2-O-benzoyl-3-O-benzyl-6-O-chloroacetyl-α-L-iodopyranoside","","- C59 H56 Cl N3 O16 -","- C59 H56 Cl N3 O16 -","- C118 H112 Cl2 N6 O32 -","2","1","SJ5456","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.","Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides","Acta Crystallographica Section E","2015","71","6","582","587","10.1107/S2056989015008518","","","1.54178","CuKα","","0.1479","0.088","","","0.2135","0.28","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240640","14.8595","0.0017","8.3873","0.0006","22.0138","0.0018","90","","90.939","0.01","90","","2743.2","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxyphenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-4-O-(9-fluorenylmethyloxycarbonyl)-α-D-glucopyranosyl]-2-O-benzoyl-3-O-benzyl-6-O-methoxyacetal-α-L-iodopyranoside","","- C60 H59 N3 O17 -","- C60 H59 N3 O17 -","- C120 H118 N6 O34 -","2","1","SJ5456","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.","Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides","Acta Crystallographica Section E","2015","71","6","582","587","10.1107/S2056989015008518","","","1.54184","CuKα","","0.1218","0.0834","","","0.1802","0.2011","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240689","5.549","0.0002","8.7759","0.0003","19.4428","0.0006","90","","92.815","0.002","90","","945.67","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-Acetyl-2-(4-chlorophenyl)-6-hydroxy-4-[(2-hydroxypropyl)amino]-6-methylcyclohex-3-en-1-yl}ethanone","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C40 H52 Cl2 N2 O8 -","2","1","XU5848","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 1-{3-acetyl-2-(4-chlorophenyl)-6-hydroxy-4-[(2-hydroxypropyl)amino]-6-methylcyclohex-3-en-1-yl}ethanone","Acta Crystallographica Section E","2015","71","5","o369","o370","10.1107/S2056989015008191","","","1.54178","CuKα","","0.068","0.0589","","","0.1398","0.1443","","","","","","1.056","","","","has coordinates,has Fobs","136471","2020-10-21","18:00:00",""
"2240701","9.1644","0.0006","6.0277","0.0006","13.1327","0.0009","90","","109.989","0.005","90","","681.75","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N-(3,4-Dimethoxybenzylidene)morpholin-4-amine","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","RZ5130","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Büyükgüngör, Orhan","Crystal structure of (E)-N-(3,4-dimethoxybenzylidene)morpholin-4-amine","Acta Crystallographica Section E","2014","70","9","o935","","10.1107/S160053681401678X","","","0.71073","MoKα","","0.0836","0.0456","","","0.0944","0.1055","","","","","","0.998","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240721","6.0451","0.0003","17.8151","0.001","16.8627","0.0008","90","","99.69","0.004","90","","1790.1","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-(Anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","XU5815","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Büyükgüngör, Orhan","Crystal structure of (E)-1(anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine","Acta Crystallographica Section E","2014","70","9","o1045","o1046","10.1107/S1600536814018807","","","0.71073","MoKα","","0.1916","0.0461","","","0.0539","0.0763","","","","","","0.713","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240773","8.9818","0.0011","6.8899","0.0007","14.685","0.0015","90","","93.565","0.009","90","","907","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","tryptaminium (2,4-dichlorophenoxy)acetate","2-(1H-Indol-3-yl)ethanaminium (2,4-dichlorophenoxy)acetate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C36 H36 Cl4 N4 O6 -","2","1","SJ5460","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the anhydrous tryptaminium salts of the isomeric (2,4-dichlorophenoxy)acetic and (3,5-dichlorophenoxy)acetic acids","Acta Crystallographica Section E","2015","71","6","671","674","10.1107/S205698901500907X","","","0.71073","MoKα","","0.0847","0.0677","","","0.1628","0.1868","","","","","","1.064","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240774","9.5154","0.0008","6.1951","0.0005","15.3646","0.0009","90","","102.579","0.007","90","","883.99","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","tryptaminium (3,5-dichlorphenoxy)acetate","2-(1H-Indol-3-yl)ethanaminium (3,5-dichlorophenoxy)acetate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C36 H36 Cl4 N4 O6 -","2","1","SJ5460","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the anhydrous tryptaminium salts of the isomeric (2,4-dichlorophenoxy)acetic and (3,5-dichlorophenoxy)acetic acids","Acta Crystallographica Section E","2015","71","6","671","674","10.1107/S205698901500907X","","","0.71073","MoKα","","0.0518","0.0417","","","0.0979","0.1051","","","","","","1.076","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240794","4.202","0.002","14.654","0.006","12.245","0.006","90","","92.758","0.018","90","","753.1","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3,6,8-Tetrabromo-9-ethyl-9H-carbazole","","- C14 H9 Br4 N -","- C14 H9 Br4 N -","- C28 H18 Br8 N2 -","2","1","","Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","Crystal structure of 1,3,6,8-tetrabromo-9-ethyl-9H-carbazole","Acta Crystallographica Section E","2015","71","6","o373","","10.1107/S2056989015010117","","","0.71075","MoKα","","","0.0556","","","","0.1298","","","","","","1.011","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240808","7.1612","0.0006","12.537","0.002","26.906","0.004","90","","91.331","0.008","90","","2415","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tetramethyltetrathiafulvalenium (1S)-camphor-10-sulfonate dihydrate","Tetramethyltetrathiafulvalenium (S)-(7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-yl)methanesulfonate dihydrate","","- C20 H31 O6 S5 -","- C20 H31 O6 S5 -","- C80 H124 O24 S20 -","4","2","BG2555","Sommer, Mathieu; Allain, Magali; Mézière, Cécile; Pop, Flavia; Giffard, Michel","Crystal structure of tetramethyltetrathiafulvalenium (1S)-camphor-10-sulfonate dihydrate","Acta Crystallographica Section E","2015","71","7","748","751","10.1107/S2056989015010294","","","0.71073","MoKα","","0.0714","0.0424","","","0.0975","0.1066","","","","","","1.085","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240809","11.509","0.003","5.929","0.0018","25.751","0.008","90","","98.307","0.003","90","","1738.7","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-{(R)-4-[(tert-Butoxycarbonyl)amino]-3-oxo-1,2-thiazolidin-2-yl}-3-methylbutanoate","","- C14 H24 N2 O5 S -","- C14 H24 N2 O5 S -","- C56 H96 N8 O20 S4 -","4","2","SU5136","Ruddraraju, Kasi Viswanatharaju; Hillebrand, Roman; Barnes, Charles L.; Gates, Kent S.","Crystal structure of methyl (S)-2-{(R)-4-[(tert-butoxycarbonyl)amino]-3-oxo-1,2-thiazolidin-2-yl}-3-methylbutanoate: a chemical model for oxidized protein tyrosine phosphatase 1B (PTP1B)","Acta Crystallographica Section E","2015","71","7","741","743","10.1107/S2056989015010051","","","0.71073","MoKα","","0.053","0.0398","","","0.0804","0.0857","","","","","","1.054","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240811","11.212","0.002","8.8943","0.0016","12.258","0.002","90","","105.345","0.002","90","","1178.8","0.4","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","HB7435","Krishnamurthy, Suvratha; Jalli, Venkataprasad; Vagvala, Tarun Chand; Moriguchi, Tetsuji; Tsuge, Akihiko","Crystal structure of benzyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate","Acta Crystallographica Section E","2015","71","7","o447","o448","10.1107/S2056989015010464","","","0.71073","MoKα","","0.0279","0.0272","","","0.0719","0.0733","","","","","","1.059","","","","has coordinates,has Fobs","138442","2020-10-21","18:00:00",""
"2240817","4.995","0.006","8.172","0.008","22.94","0.03","90","","93.48","0.03","90","","934.7","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl N-{(E)-1-[2-(4-cyanobenzylidene)-1-methylhydrazinyl]-3-hydroxy-1-oxopropan-2-yl}carbamate","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","1","HG5443","Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Different hydrogen-bonded chains in the crystal structures of three alkyl N-[(E)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates","Acta Crystallographica Section E","2015","71","7","752","756","10.1107/S2056989015010440","","","0.71073","MoKα","","0.1241","0.0951","","","0.2454","0.2783","","","","","","1.098","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240818","5.348","0.003","7.883","0.005","20.903","0.014","90","","92.763","0.001","90","","880.2","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl N-{(E)-1-[2-(4-cyanobenzylidene)-1-methylhydrazinyl]-3-hydroxy-1-oxopropan-2-yl}carbamate","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","1","HG5443","Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Different hydrogen-bonded chains in the crystal structures of three alkyl N-[(E)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates","Acta Crystallographica Section E","2015","71","7","752","756","10.1107/S2056989015010440","","","0.71073","MoKα","","0.0664","0.0573","","","0.1871","0.1936","","","","","","1.129","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240841","3.931","0.002","10.459","0.006","14.657","0.008","90","","94.201","0.014","90","","601","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-(2-Hydroxybenzoyl)-2-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C28 H20 N4 O6 S2 -","2","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Crystal structures of two 6-(2-hydroxybenzoyl)-5H-thiazolo[3,2-a]pyrimidin-5-ones","Acta Crystallographica Section E","2015","71","7","766","771","10.1107/S2056989015011044","","","0.71075","MoKα","","0.0394","0.0313","","","0.0625","0.0667","","","","","","1.043","","","","has coordinates,has Fobs","139208","2020-10-21","18:00:00",""
"2240861","9.913","0.005","11.414","0.005","12.144","0.005","90","","99.903","0.005","90","","1353.6","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-1^5^-Bromo-3^2^,3^2^-dimethyl-2^1^-nitro-2^2^,2^3^,2^5^,2^6^,2^7^,2^7a^,3^3a^,3^5^,3^6^,3^6a^-decahydro-2^1^H,6^1^H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane","","- C25 H29 Br N5 O7 -","- C25 H29 Br N5 O7 -","- C50 H58 Br2 N10 O14 -","2","1","SU5103","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two triazola-dioxola-benzenacyclononaphanes","Acta Crystallographica Section E","2015","71","7","827","831","10.1107/S205698901501141X","","","0.71073","MoKα","","0.0999","0.0437","","","0.0881","0.1051","","","","","","0.954","","","","has coordinates,has Fobs","139606","2020-10-21","18:00:00",""
"2240862","8.756","0.005","10.811","0.005","13.569","0.005","90","","101.122","0.005","90","","1260.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-3^2^,3^2^-Dimethyl-2^7^-nitro-2^5^,2^6^,2^7^,2^7a^,3^3a^,3^5^,3^6^,3^6a^-octahydro-2^1^H,2^3^H,6^1^H-4,9-dioxa-2(5,6)-pyrrolo[1,2-c]thiazola-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane","","- C24 H29 N5 O7 S -","- C24 H29 N5 O7 S -","- C48 H58 N10 O14 S2 -","2","1","SU5103","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two triazola-dioxola-benzenacyclononaphanes","Acta Crystallographica Section E","2015","71","7","827","831","10.1107/S205698901501141X","","","0.71073","MoKα","","0.0912","0.046","","","0.0873","0.1029","","","","","","1","","","","has coordinates,has Fobs","139606","2020-10-21","18:00:00",""
"2240865","8.8201","0.0007","7.885","0.0007","13.0639","0.001","90","","108.407","0.003","90","","862.06","0.12","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-5-Diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol","","- C19 H25 N3 O -","- C19 H25 N3 O -","- C38 H50 N6 O2 -","2","1","SU5157","Rani, C. Vidya; Chakkaravarthi, G.; Rajagopal, G.","Crystal structure of (E)-5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2015","71","7","o503","","10.1107/S2056989015011779","","","0.71073","MoKα","","0.0921","0.0524","","","0.1336","0.1591","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240867","8.9688","0.0008","8.0063","0.0008","10.9628","0.001","90","","106.015","0.004","90","","756.65","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cis-2-(2-Carboxycyclopropyl)glycine monohydrate","(αR,1R,2S)-rel-α-Amino-2-carboxycyclopropaneacetic acid monohydrate","","- C6 H11 N O5 -","- C6 H11 N O5 -","- C24 H44 N4 O20 -","4","2","","Lindeman, Sergey; Wallock, Nathaniel J.; Donaldson, William A.","Crystal structure of cis-2-(2-carboxycyclopropyl)glycine (CCG-III) monohydrate","Acta Crystallographica Section E","2015","71","7","844","846","10.1107/S2056989015011500","","","1.54178","CuKα","","0.021","0.0209","","","0.0549","0.0549","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240880","10.2495","0.0002","7.1061","0.0001","10.5275","0.0002","90","","100.026","0.001","90","","755.05","0.02","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4α-Hydroxy-5α,8β(H)-eudesm-7(11)-en-8,12-olide monohydrate","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Lu, Qiang-Qiang; Shi, Xin-Wei; Yang, Xing-Ke","Crystal structure of 4α-hydroxy-5α,8β(H)-eudesm-7(11)-en-8,12-olide monohydrate","Acta Crystallographica Section E","2015","71","7","o518","","10.1107/S2056989015011251","","","1.54178","CuKα","","0.0525","0.0518","","","0.1259","0.1273","","","","","","1.137","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240894","8.7706","0.0005","10.5467","0.0004","9.1639","0.0005","90","","115.71","0.007","90","","763.75","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","10,10-Dichloro-2,7,7,11-tetramethyl-3-oxatetracyclo[6.5.0.0^2,4^.0^9,11^]tridecane","(1R,2S,4R,7R,8S,9R)-3,3-Dichloro-8,9-epoxy-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodecane","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","1","XU5855","Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (1R,2S,4R,7R,8S,9R)-3,3-dichloro-8,9-epoxy-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodecane","Acta Crystallographica Section E","2015","71","8","o538","o539","10.1107/S205698901501244X","","","0.71073","MoKα","","0.0295","0.0285","","","0.0745","0.0756","","","","","","1.053","","","","has coordinates,has Fobs","139970","2020-10-21","18:00:00",""
"2240913","9.3742","0.0003","4.76845","0.00012","11.0212","0.0003","90","","114.202","0.004","90","","449.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-6-Fluoro-2-[(S)-oxiran-2-yl]chroman","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C22 H22 F2 O4 -","2","1","","Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre","Crystal structure of (R)-6-fluoro-2-[(S)-oxiran-2-yl]chroman","Acta Crystallographica Section E","2015","71","8","o552","o553","10.1107/S205698901501261X","","","1.54184","CuKα","","0.0323","0.0318","","","0.0912","0.092","","","","","","1.096","","","","has coordinates,has Fobs","140997","2020-10-21","18:00:00",""
"2240918","10.987","0.003","9.568","0.002","17.211","0.004","90","","107.478","0.004","90","","1725.8","0.7","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichlorido[(1S,5S)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κC^3^](triphenylphosphane-κP)palladium(IV)","","- C37 H43 Cl2 N2 P Pd -","- C37 H43 Cl2 N2 P Pd -","- C74 H86 Cl4 N4 P2 Pd2 -","2","1","WM5179","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structures of diiodidobis[(1S,5S)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κC^3^]palladium(IV) and dichlorido[(1S,5S)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κC^3^](triphenylphosphane-κP)palladium(IV)","Acta Crystallographica Section E","2015","71","8","919","922","10.1107/S2056989015013055","","","0.71073","MoKα","","0.07","0.0529","","","0.1062","0.1125","","","","","","0.922","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240973","10.14078","0.00018","9.10361","0.00014","17.5991","0.0003","90","","100.185","0.0016","90","","1599.11","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Phaeosphaeride A","3,4-Dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-3,4-dihydro-2H,7H-pyrano[2,3-c]pyrrol-5(6H)-one","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C60 H92 N4 O20 -","4","2","PK2560","Abzianidze, Victoria V.; Poluektova, Ekaterina V.; Bolshakova, Ksenia P.; Panikorovskii, Taras L.; Bogachenkov, Alexander S.; Berestetskiy, Alexander O.","Crystal structure of natural phaeosphaeride A","Acta Crystallographica Section E","2015","71","8","o625","o626","10.1107/S205698901501395X","","","1.54184","CuKα","","0.0592","0.058","","","0.1498","0.1504","","","","","","1.097","","","","has coordinates,has Fobs","153030","2020-10-21","18:00:00",""
"2240974","6.4235","0.0011","10.8139","0.0018","8.0123","0.0014","90","","109.462","0.002","90","","524.76","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-Dimethoxy-2,2'-bipyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","XU5860","Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi","Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine","Acta Crystallographica Section E","2015","71","8","o623","o624","10.1107/S2056989015013985","","","0.71073","MoKα","","0.0353","0.0325","","","0.0819","0.0836","","","","","","1.01","","","","has coordinates,has Fobs","153031","2020-10-21","18:00:00",""
"2241016","12.1786","0.0005","10.2422","0.0005","12.6306","0.0005","90","","113.082","0.002","90","","1449.36","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Ethnyl-2-methyl-1-phenylsulfonyl-1H-indole","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","2","BG2558","Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K.","Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenylsulfonyl-1H-indole, 4-phenylsulfonyl-3H,4H-cyclopenta[b]indol-1(2H)-one and 1-{2-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1H-indol-3-yl}ethan-1-one chloroform monosolvate","Acta Crystallographica Section E","2015","71","9","1036","1041","10.1107/S2056989015014917","","","0.71073","MoKα","","0.032","0.0285","","","0.0767","0.08","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241068","7.9254","0.0002","13.6161","0.0003","9.4632","0.0002","90","","103.32","0.001","90","","993.73","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4,4-Diphenylbut-3-en-1-yl)-N-iodomethyl-N,N-dimethylammonium iodide","","- C19 H23 I2 N -","- C19 H23 I2 N -","- C38 H46 I4 N2 -","2","1","","Múnera-Orozco, Carolina; Ocampo-Cardona, Rogelio; Cedeño, David L.; Toscano, Rubén A.; Ríos-Vásquez, Luz Amalia","Crystal structures of three new N-halomethylated quaternary ammonium salts","Acta Crystallographica Section E","2015","71","10","1230","1235","10.1107/S2056989015017181","","","0.71073","MoKα","","0.0178","0.0172","","","0.038","0.0383","","","","","","1.078","","","","has coordinates,has Fobs","158324","2020-10-21","18:00:00",""
"2241071","9.3235","0.0003","5.4118","0.0001","20.4381","0.0007","90","","96.748","0.001","90","","1024.1","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-C-(N-Benzyloxycarbonyl)aminomethyl-3-deoxy-1,2:5,6-di-\ O-isopropylidene-α-D-allofuranose","","- C21 H29 N O7 -","- C21 H29 N O7 -","- C42 H58 N2 O14 -","2","1","SU5210","Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris","Crystal structure of 3-C-(N-benzyloxycarbonyl)aminomethyl-3-deoxy-1,2:5,6-di-O-isopropylidene-α-D-allofuranose","Acta Crystallographica Section E","2015","71","10","1212","1215","10.1107/S2056989015017582","","","0.71073","MoKα","","0.0641","0.0447","","","0.0927","0.1004","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241081","7.9704","0.0016","7.5527","0.0015","14.57","0.003","90","","90.312","0.003","90","","877.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Cyano-1-methylpyridinium tetrafluoroborate","","- C7 H7 B F4 N2 -","- C7 H7 B F4 N2 -","- C28 H28 B4 F16 N8 -","4","2","TK5380","Vaccaro, Francesca A.; Koplitz, Lynn V.; Mague, Joel T.","Crystal structure of 2-cyano-1-methylpyridinium tetrafluoroborate","Acta Crystallographica Section E","2015","71","10","o697","o698","10.1107/S2056989015016011","","","0.71073","MoKα","","0.066","0.0504","","","0.1103","0.1221","","","","","","1.077","","","","has coordinates,has Fobs","158335","2020-10-21","18:00:00",""
"2241088","9.7467","0.0005","14.1245","0.0007","10.9866","0.0005","90","","94.206","0.001","90","","1508.42","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[(Diethylamino)methyl]indol-1-yl-κ^2^N,N'}dimethylaluminium","","- C15 H23 Al N2 -","- C15 H23 Al N2 -","- C60 H92 Al4 N8 -","4","2","ZL2630","Shephard, Logan E.; Kingsley, Nicholas B.","Synthesis, characterization and crystal structure of a 2-(diethylaminomethyl)indole ligated dimethylaluminium complex","Acta Crystallographica Section E","2015","71","10","1222","1225","10.1107/S2056989015017053","","","0.71073","MoKα","","0.0248","0.0244","","","0.0678","0.0682","","","","","","1.052","","","","has coordinates,has Fobs","158342","2020-10-21","18:00:00",""
"2241099","9.759","0.0011","6.8952","0.001","9.798","0.0014","90","","114.348","0.009","90","","600.67","0.15","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(1R)-2-Hydroxy-1-phenylethyl]piperidin-4-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C26 H34 N2 O4 -","2","1","XU5868","Romero, Nancy; Bernès, Sylvain; Roa, Luis F.; Terán, Joel L.; Gnecco, Dino","Crystal structures of two chiral piperidine derivatives: 1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-4-one and 8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione","Acta Crystallographica Section E","2015","71","10","1207","1211","10.1107/S2056989015017119","","","0.71073","MoKα","","0.0534","0.0355","","","0.0756","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","158355","2020-10-21","18:00:00",""
"2241117","5.4012","0.0001","8.2178","0.0002","10.2713","0.0002","90","","94.534","0.001","90","","454.475","0.016","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2R)-1-[(Methylsulfonyl)oxy]propan-2-aminium chloride","(2R)-2-Azaniumylpropyl methanesulfonate chloride","","- C4 H12 Cl N O3 S -","- C4 H12 Cl N O3 S -","- C8 H24 Cl2 N2 O6 S2 -","2","1","TK5365","Rajegowda, H. R.; Palakshamurthy, B. S.; Lokanath, N. K.; Naveen, S.; Raghavendra Kumar, P.","Crystal structure of (2R)-1-[(methylsulfonyl)oxy]propan-2-aminium chloride: a chiral molecular salt","Acta Crystallographica Section E","2015","71","10","o733","o734","10.1107/S2056989015015972","","","1.54178","CuKα","","0.0312","0.0311","","","0.0778","0.0779","","","","","","1.11","","","","has coordinates,has Fobs","158370","2020-10-21","18:00:00",""
"2241131","6.3001","0.0005","13.2663","0.001","12.7082","0.001","90","","96.983","0.002","90","","1054.26","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(1R,2R,4aS,8aS)-2-Hydroxy-2,5,5,8a-\ tetramethyldecahydronaphthalen-1-yl]-N-(o-tolyl)acetamide","","- C23 H35 N O2 -","- C23 H35 N O2 -","- C46 H70 N2 O4 -","2","1","","Li, Dang-Dang; Shi, Xin-Wei; Lu, Qiang-Qiang; Li, Sheng-Kun","Crystal structure of 2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-N-(o-tolyl)acetamide","Acta Crystallographica Section E","2015","71","10","o788","o789","10.1107/S2056989015017600","","","0.71073","MoKα","","0.0501","0.0397","","","0.0897","0.0954","","","","","","1.055","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241136","9.8539","0.0005","9.8671","0.0005","18.1633","0.0008","90","","100.578","0.005","90","","1736","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(2Z)-2-{(5Z)-5-[3-Fluoro-2-(4-phenylpiperidin-1-yl)benzylidene]-4-oxo-3-(p-tolyl)-1,3-thiazolidin-2-ylidene}-N-(p-tolyl)ethanethioamide dimethyl sulfoxide monosolvate","","- C39 H40 F N3 O2 S3 -","- C39 H40 F N3 O2 S3 -","- C78 H80 F2 N6 O4 S6 -","2","1","","Khamidullina, Liliya; Obydennov, Konstantin; Slepukhin, Pavel; Morzherin, Yury","Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenylpiperidin-1-yl)benzylidene]-4-oxo-3-(p-tolyl)-1,3-thiazolidin-2-ylidene}-N-(p-tolyl)ethanethioamide dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2015","71","10","o745","o746","10.1107/S2056989015016850","","","0.71073","MoKα","","0.0746","0.0462","","","0.0822","0.0892","","","","","","1","","","","has coordinates,has disorder,has Fobs","158386","2020-10-21","18:00:00",""
"2241139","8.1411","0.0004","7.308","0.0004","18.984","0.0009","90","","98.177","0.003","90","","1117.97","0.1","90","0.2","90","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4'-Bis{3-[(S)-2-methylpyrrolidin-1-yl]prop-1-yn-1-yl}-1,1'-biphenyl","","- C28 H32 N2 -","- C28 H32 N2 -","- C56 H64 N4 -","2","1","HG5457","Wan, Anqi; Penthala, Narsimha Reddy; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Comparison crystal structure conformations of two structurally related biphenyl analogues: 4,4'-bis[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl and 4,4'-bis{3-[(S)-2-methylpyrrolidin-1-yl]prop-1-yn-1-yl}-1,1'-biphenyl","Acta Crystallographica Section E","2015","71","10","1147","1150","10.1107/S2056989015016163","","","0.71073","MoKα","","0.0813","0.0543","","","0.1278","0.1442","","","","","","1.045","","","","has coordinates,has Fobs","158388","2020-10-21","18:00:00",""
"2241202","4.4358","0.0002","12.6281","0.0004","7.5588","0.0003","90","","91.91","0.001","90","","423.18","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride","","- C5 H11 Cl2 N3 -","- C5 H11 Cl2 N3 -","- C10 H22 Cl4 N6 -","2","1","WM5220","Louhibi, Samira; Belfilali, Imene; Boukli-Hacene, Leila; Roisnel, Thierry","Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination","Acta Crystallographica Section E","2015","71","11","o844","o845","10.1107/S2056989015018848","","","0.71073","MoKα","","0.0232","0.0225","","","0.0578","0.0583","","","","","","1.081","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241216","5.878","0.0012","34.503","0.007","8.812","0.0018","90","","92.42","0.03","90","","1785.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,5S,6R)-6-Azido-5-benzyloxy-3,3,4-trifluoroazepan-1-ium 2,2,2-trifluoroacetate","","- C15 H16 F6 N4 O3 -","- C15 H16 F6 N4 O3 -","- C60 H64 F24 N16 O12 -","4","2","SJ5470","Patel, Alpesh Ramanlal; Bhadbhade, Mohan M.; Liu, Fei","Crystal structure of (4R,5S,6R)-6-azido-5-benzyloxy-3,3,4-trifluoroazepan-1-ium 2,2,2-trifluoroacetate from synchrotron data","Acta Crystallographica Section E","2015","71","11","1361","1365","10.1107/S2056989015019416","","","0.7293","Synchrotron","","0.1545","0.1163","","","0.2349","0.2613","","","","","","0.967","","","","has coordinates,has Fobs","169811","2020-10-21","18:00:00",""
"2241228","12.8022","0.0005","6.4019","0.0002","15.9557","0.0006","90","","98.821","0.004","90","","1292.24","0.08","99.98","0.14","99.98","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","Aflatrem","(3R,5bS,7aS,13bS,13cR,15aS)-\ 9-(1,1-Dimethyl-2-propenyl)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-\ hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-\ benzoxepino[6',7':6,7]indeno[1,2-b]indol-4-one","","- C32 H39 N O4 -","- C32 H39 N O4 -","- C64 H78 N2 O8 -","2","1","LH5789","Lenta, Bruno N.; Ngatchou, Jules; Kenfack, Patrice T.; Neumann, Beate; Stammler, Hans-Georg; Sewald, Norbert","Crystal and molecular structure of aflatrem","Acta Crystallographica Section E","2015","71","11","o867","o868","10.1107/S2056989015019040","","","1.5418","CuKα","","0.0639","0.0556","","","0.1424","0.1503","","","","","","1.055","","","","has coordinates,has Fobs","201217","2020-10-21","18:00:00",""
"2241234","9.0682","0.0007","6.8402","0.0005","11.4686","0.0009","90","","103.349","0.001","90","","692.16","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","14195a","(N-Methyl-N-phenylamino)(N-methyl-N-phenylcarbamoyl)sulfide","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C30 H32 N4 O2 S2 -","2","1","","Henley, Matthew J.; Schroll, Alayne L.; Young, Jr, Victor G.; Barany, George","Crystal structures of (N-methyl-N-phenylamino)(N-methyl-N-phenylcarbamoyl)sulfide and the corresponding disulfane","Acta Crystallographica Section E","2015","71","11","1371","1374","10.1107/S2056989015018289","","","0.71073","MoKα","","0.0292","0.0268","","","0.0655","0.0672","","","","","","1.052","","","","has coordinates,has Fobs","169830","2020-10-21","18:00:00",""
"2241244","8.0112","0.0012","7.7011","0.0012","14.742","0.002","90","","90.982","0.002","90","","909.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Cyano-1-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C28 H28 Cl4 N8 O16 -","4","2","TK5395","Nguyen, Vu D.; McCormick, Cameron A.; Mague, Joel T.; Koplitz, Lynn V.","Crystal structure of 2-cyano-1-methylpyridinium perchlorate","Acta Crystallographica Section E","2015","71","11","o852","o853","10.1107/S2056989015019155","","","0.71073","MoKα","","0.047","0.0429","","","0.1049","0.1085","","","","","","1.003","","","","has coordinates,has Fobs","169837","2020-10-21","18:00:00",""
"2241262","6.4341","0.0007","20.28","0.002","11.0377","0.0012","90","","105.248","0.001","90","","1389.5","0.3","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4aS,8aS)-N-tert-Butyl-2-{(S)-2-[(S)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide","","- C27 H39 Cl N4 O5 -","- C27 H39 Cl N4 O5 -","- C54 H78 Cl2 N8 O10 -","2","1","","Maxson, Tucker; Bertke, Jeffery A.; Gray, Danielle L.; Mitchell, Douglas A.","Crystal structure and absolute configuration of (3S,4aS,8aS)-N-tert-butyl-2-[(S)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3S,4aS,8aS)-N-tert-butyl-2-{(S)-2-[(S)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2015","71","11","1401","1407","10.1107/S2056989015020046","","","0.71073","MoKα","","0.0357","0.0323","","","0.0799","0.0824","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2241286","7.5335","0.0012","43.246","0.006","9.3069","0.0011","90","","90.486","0.015","90","","3032","0.7","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-Dichlorido[1-phenyl-N-(pyridin-2-ylmethylidene)ethylamine-κ^2^N,N']mercury(II)","","- C14 H14 Cl2 Hg N2 -","- C14 H14 Cl2 Hg N2 -","- C112 H112 Cl16 Hg8 N16 -","8","4","RZ5175","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René","Crystal structures of three mercury(II) complexes [HgCl~2~L] where L is a bidentate chiral imine ligand","Acta Crystallographica Section E","2015","71","12","1462","1466","10.1107/S2056989015020368","","","0.71073","MoKα","","0.0536","0.0416","","","0.0933","0.1008","","","","","","1.055","","","","has coordinates,has Fobs","170170","2020-10-21","18:00:00",""
"2241288","10.216","0.003","7.392","0.002","23.352","0.006","90","","97.459","0.014","90","","1748.5","0.8","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,3S,5R)-(+)-Dichlorido[N-(pyridin-2-ylmethylidene)isopinocampheylamine-κ^2^N,N']mercury(II)","","- C16 H22 Cl2 Hg N2 -","- C16 H22 Cl2 Hg N2 -","- C64 H88 Cl8 Hg4 N8 -","4","2","RZ5175","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René","Crystal structures of three mercury(II) complexes [HgCl~2~L] where L is a bidentate chiral imine ligand","Acta Crystallographica Section E","2015","71","12","1462","1466","10.1107/S2056989015020368","","","0.71073","MoKα","","0.0911","0.0573","","","0.1365","0.1663","","","","","","1.109","","","","has coordinates,has Fobs","170170","2020-10-21","18:00:00",""
"2241364","10.3526","0.0002","7.2612","0.0001","11.9198","0.0002","90","","108.121","0.0006","90","","851.6","0.02","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(E)-13-(Pyrimidin-5-yl)parthenolide","(1aR,4E,7aS,8E,10aS,10bR)-1a,5-\ Dimethyl-8-[(pyrimidin-5-yl)methylidene]-2,3,6,7,7a,8,10a,10b-\ octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","ZS2350","Bommagani, Shobanbabu; Penthala, Narsimha R.; Parkin, Sean; Crooks, Peter A.","Crystal structure of (E)-13-(pyrimidin-5-yl)parthenolide","Acta Crystallographica Section E","2015","71","12","1536","1538","10.1107/S2056989015021507","","","1.54178","CuKα","","0.0268","0.0267","","","0.0677","0.0678","","","","","","1.053","","","","has coordinates,has Fobs","170598","2020-10-21","18:00:00",""
"2241401","6.4443","0.0006","8.4437","0.0007","13.7083","0.0012","90","","98.654","0.009","90","","737.43","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3S,8R,11R)-11-Acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Bismoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed; Auhmani, Aziz","Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2015","71","12","o1013","o1014","10.1107/S2056989015022847","","","0.71073","MoKα","","0.0674","0.061","","","0.137","0.1412","","","","","","1.052","","","","has coordinates,has Fobs","171485","2020-10-21","18:00:00",""
"2241494","9.909","0.001","10.2373","0.001","13.8402","0.001","90","","101","0.01","90","","1378.2","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(9S,10S)-10-Ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-methylbenzenesulfonate","","- C30 H40 O6 S -","- C30 H40 O6 S -","- C60 H80 O12 S2 -","2","1","","Gul, Waseem; Galal, Ahmed; ElSohly, Mahmoud A.; Carvalho, Paulo","Crystal structure of (9S,10S)-10-ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2015","71","12","o1082","o1083","10.1107/S2056989015024044","","","1.54178","CuKα","","0.0256","0.0246","","","0.0648","0.0655","","","","","","1.023","","","","has coordinates,has Fobs","174745","2020-10-21","18:00:00",""
"2241495","9.1584","0.0006","12.2932","0.0007","10.6633","0.0006","90","","97.454","0.003","90","","1190.39","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[3-(Dimethylazaniumyl)propyl]-N',N',N'',N''-tetramethyl-N-(N,N,N',N'-tetramethylformamidiniumyl)guanidinium dibromide hydroxide monohydrate","","- C15 H40 Br1.99 N6 O2 -","- C15 H40 Br1.988 N6 O2 -","- C30 H80 Br3.976 N12 O4 -","2","1","SJ5490","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of N-[3-(dimethylazaniumyl)propyl]-N',N',N'',N''-tetramethyl-N-(N,N,N',N'-tetramethylformamidiniumyl)guanidinium dibromide hydroxide monohydrate","Acta Crystallographica Section E","2015","71","12","o1078","o1079","10.1107/S2056989015024305","","","0.71073","MoKα","","0.0389","0.0306","","","0.0672","0.0693","","","","","","0.992","","","","has coordinates,has Fobs","174746","2020-10-21","18:00:00",""
"2241555","8.5519","0.0002","18.9335","0.0004","8.9165","0.0003","90","","110.203","0.003","90","","1354.91","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(3aS,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one","","- C13 H19 N3 O S -","- C13 H19 N3 O S -","- C52 H76 N12 O4 S4 -","4","2","SU5277","Ousidi, Abdellah N'ait; Itto, My Youssef Ait; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Abdelwahed, Auhmani","Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one","Acta Crystallographica Section E","2016","72","3","334","336","10.1107/S2056989016002498","","","0.71073","MoKα","","0.0378","0.0329","","","0.0743","0.0774","","","","","","1.044","","","","has coordinates,has Fobs","176675","2020-10-21","18:00:00",""
"2241558","13.5605","0.0018","4.7386","0.0003","14.14","0.002","90","","118.181","0.019","90","","800.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-N-(3-azidopropyl)-O-methylhydroxylamine","","- C12 H23 N5 O6 -","- C12 H23 N5 O6 -","- C24 H46 N10 O12 -","2","1","LH5798","Munneke, Stefan; Stocker, Bridget L.; Timmer, Mattie S. M.; Gainsford, Graeme J.","N-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-N-(3-azidopropyl)-O-methylhydroxylamine","Acta Crystallographica Section E","2016","72","3","340","342","10.1107/S2056989016002164","","","1.54184","CuKα","","0.0656","0.0594","","","0.1573","0.1648","","","","","","1.028","","","","has coordinates,has Fobs","176678","2020-10-21","18:00:00",""
"2241565","10.8355","0.0002","10.8865","0.0002","14.5653","0.0002","90","","106.481","0.002","90","","1647.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Chloromethyl-N-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide","","- C15 H18 Cl N5 O2 -","- C15 H18 Cl N5 O2 -","- C60 H72 Cl4 N20 O8 -","4","2","SU5281","Brahmi, Jihed; Nasri, Soumaya; Aouadi, Kaïss; Jeanneau, Erwann; Vidal, Sébastien; Msaddek, Moncef","Crystal structure of 5-chloromethyl-N-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide","Acta Crystallographica Section E","2016","72","3","378","381","10.1107/S2056989016002784","","","1.54178","CuKα","","0.0392","0.0364","","","0.094","0.0977","","","","","","1.025","","","","has coordinates,has Fobs","176801","2020-10-21","18:00:00",""
"2241592","8.849","0.004","5.336","0.001","14.994","0.005","90","","99.21","0.02","90","","698.9","0.4","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","Sesquiterpene","1-(6-Hydroxy-7-(propan-2-yl)-4-methylidene-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethanone","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","LH5803","Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen","Crystal structure of a bioactive sesquiterpene isolated from Artemisia reticulata","Acta Crystallographica Section E","2016","72","4","460","462","10.1107/S2056989016003236","","","1.5418","CuKα","","0.0657","0.0596","","","0.1568","0.1639","","","","","","1.102","","","","has coordinates,has Fobs","177595","2020-10-21","18:00:00",""
"2241594","7.2738","0.0009","21.426","0.002","8.0152","0.0009","90","","100.88","0.01","90","","1226.7","0.2","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","2","SU5279","Bauri, A. K.; Foro, Sabine; Nguyen Do, Nhu Quynh","Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata","Acta Crystallographica Section E","2016","72","4","463","466","10.1107/S2056989016003303","","","1.5418","CuKα","","0.0692","0.0573","","","0.1362","0.1483","","","","","","1.082","","","","has coordinates,has Fobs","177597","2020-10-21","18:00:00",""
"2241631","10.947","0.003","12.999","0.004","12.44","0.004","90","","101.833","0.004","90","","1732.6","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Leucyl-L-isoleucine 2,2,2-trifluoroethanol monosolvate","","- C14 H27 F3 N2 O4 -","- C14 H27 F3 N2 O4 -","- C56 H108 F12 N8 O16 -","4","2","HB7570","Görbitz, Carl Henrik","Crystal structure of L-leucyl-L-isoleucine 2,2,2-trifluoroethanol monosolvate","Acta Crystallographica Section E","2016","72","5","635","638","10.1107/S2056989016005302","","","0.71073","MoKα","","0.0516","0.0408","","","0.0886","0.0947","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","181818","2020-10-21","18:00:00",""
"2241633","8.1817","0.0001","26.4033","0.0005","8.88","0.0002","90","","98.023","0.001","90","","1899.52","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-{[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]amino}-1H-purin-6(9H)-one","","- C17 H25 N5 O7 -","- C17 H25 N5 O7 -","- C68 H100 N20 O28 -","4","2","HB7568","Catalano, Michael J.; Ruddraraju, Kasi Viswanatharaju; Barnes, Charles L.; Gates, Kent S.","Crystal structure of a nucleoside model for the interstrand cross-link formed by the reaction of 2'-deoxyguanosine and an abasic site in duplex DNA","Acta Crystallographica Section E","2016","72","5","624","627","10.1107/S205698901600517X","","","1.54178","CuKα","","0.0284","0.027","","","0.0704","0.0715","","","","","","1.038","","","","has coordinates,has Fobs","181820","2020-10-21","18:00:00",""
"2241650","9.698","0.002","8.8127","0.0019","10.133","0.002","90","","92.248","0.003","90","","865.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R)-5-ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2,9-dithia-3-azabicyclo[4.3.0]nona-1(6)7-diene-8-sulfonamide","","- C12 H21 N3 O5 S3 -","- C12 H21 N3 O5 S3 -","- C24 H42 N6 O10 S6 -","2","1","SU5292","Zheng, Huirong; Lou, Benyong","Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor","Acta Crystallographica Section E","2016","72","5","692","695","10.1107/S2056989016006022","","","0.71073","MoKα","","0.0222","0.0217","","","0.0583","0.0588","","","","","","1.035","","","","has coordinates,has Fobs","182292","2020-10-21","18:00:00",""
"2241653","12.4525","0.0009","5.736","0.0004","12.5896","0.0009","90","","116.081","0.006","90","","807.68","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Isopropyl-3-(2-nitro-1-phenylethyl)-1H-indole","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","PK2578","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Different N—H···π interactions in two indole derivatives","Acta Crystallographica Section E","2016","72","5","699","703","10.1107/S2056989016006162","","","0.71073","MoKα","","0.15","0.0813","","","0.1359","0.1636","","","","","","1.121","","","","has coordinates,has Fobs","182294","2020-10-21","18:00:00",""
"2241671","8.2102","0.0003","9.9513","0.0003","8.748","0.0003","90","","108.142","0.002","90","","679.2","0.04","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-N-[(1R,5S,6S,9S)-5-Hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","IS5451","Oishi, Takeshi; Tsuzaki, Shun; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide","Acta Crystallographica Section E","2016","72","5","756","759","10.1107/S2056989016006800","","","1.54178","CuKα","","0.037","0.0323","","","0.0651","0.0678","","","","","","1.002","","","","has coordinates,has Fobs","182416","2020-10-21","18:00:00",""
"2241697","7.4178","0.0012","11.2436","0.0015","16.116","0.0018","90","","93.148","0.004","90","","1342.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","16-Ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one dimethyl sulfoxide monosolvate","","- C31 H38 Fe O3 S -","- C31 H38 Fe O3 S -","- C62 H76 Fe2 O6 S2 -","2","1","BG2586","Carmona-Negrón, José A.; Flores-Rivera, Mariola M.; Díaz-Reyes, Zaibeth; Moore, Curtis E.; Rheigold, Arnold L.; Meléndez, Enrique","Crystal structure of 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one: a potential chemotherapeutic drug","Acta Crystallographica Section E","2016","72","6","868","871","10.1107/S2056989016008446","","","0.71073","MoKα","","0.048","0.0425","","","0.0927","0.0969","","","","","","1.02","","","","has coordinates","183123","2020-10-21","18:00:00",""
"2241710","5.51","0.003","14.809","0.009","10.824","0.007","90","","100.757","0.007","90","","867.7","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C38 H38 N2 O10 -","2","1","IS5453","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Crystal structure of 2-(4-acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate","Acta Crystallographica Section E","2016","72","7","933","936","10.1107/S205698901600894X","","","0.71073","MoKα","","0.1278","0.053","","","0.1001","0.126","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","183349","2020-10-21","18:00:00",""
"2241735","10.2566","0.0004","16.5665","0.0008","11.512","0.0005","90","","115.86","0.003","90","","1760.2","0.14","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3-methylphenoxy)(phthalocyanine)silicon","","- C46 H30 N8 O2 Si -","- C46 H30 N8 O2 Si -","- C92 H60 N16 O4 Si2 -","2","1","HB7581","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","1.54178","CuKα","","0.0514","0.0439","","","0.1061","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241744","10.6849","0.001","7.454","0.0007","13.3961","0.0012","90","","93.482","0.002","90","","1064.97","0.17","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis(4-methoxybenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C32 H48 Cl8 N4 O4 Zn2 -","2","1","WM5302","Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed","Crystal structure of non-centrosymmetric bis(4-methoxybenzylammonium) tetrachloridozincate","Acta Crystallographica Section E","2016","72","7","1050","1053","10.1107/S2056989016010069","","","0.71073","MoKα","","0.0487","0.0426","","","0.1033","0.1075","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","183941","2020-10-21","18:00:00",""
"2241755","10.264","0.0005","9.648","0.0005","12.048","0.0005","90","","96.204","0.005","90","","1186.09","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,2'R,3a'S,5R)-2'-[(5-Bromo-1H-indol-3-yl)methyl]-2-isopropyl-5,5'-dimethyldihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","","- C24 H32 Br N3 O2 -","- C24 H32 Br N3 O2 -","- C48 H64 Br2 N6 O4 -","2","1","ZS2365","Ghannay, Siwar; Brahmi, Jihed; Nasri, Soumaya; Aouadi, Kaïss; Jeanneau, Erwann; Msaddek, Moncef","Crystal structure of (1S,2S,2'R,3a'S,5R)-2'-[(5-bromo-1H-indol-3-yl)methyl]-2-isopropyl-5,5'-dimethyldihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","Acta Crystallographica Section E","2016","72","8","1081","1084","10.1107/S2056989016010872","","","0.71073","MoKα","","0.0892","0.0529","","","0.1195","0.1351","","","","","","0.97","","","","has coordinates,has Fobs","184414","2020-10-21","18:00:00",""
"2241763","11.9423","0.0007","12.1314","0.001","12.8974","0.001","90","","107.032","0.004","90","","1786.6","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II)","","- C32 H16 Br6 Cu N4 O2 -","- C32 H16 Br6 Cu N4 O2 -","- C64 H32 Br12 Cu2 N8 O4 -","2","1","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","0.71073","MoKα","","0.115","0.0643","","","0.1255","0.1398","","","","","","0.957","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241954","11.419","0.003","5.6731","0.0016","15.226","0.004","90","","95.53","0.004","90","","981.8","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diethylammonium aniline-4-sulfonate anilinium-4-sulfonate","","- C16 H25 N3 O6 S2 -","- C16 H25 N3 O6 S2 -","- C32 H50 N6 O12 S4 -","2","1","HB7622","Toure, Assane; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Oliver, Allen G.","Crystal structure of diethylammonium aniline-4-sulfonate anilinium-4-sulfonate","Acta Crystallographica Section E","2016","72","12","1830","1832","10.1107/S2056989016018041","","","0.71073","MoKα","","0.0452","0.0385","","","0.0751","0.0768","","","","","","0.975","","","","has coordinates,has Fobs","188575","2020-10-21","18:00:00",""
"2241966","9.5538","0.0006","8.3655","0.0003","19.1395","0.001","90","","96.837","0.004","90","","1518.8","0.14","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(1R,3R,4R,5R,6S)-4,5-Bis(acetyloxy)-7-oxo-2-oxabicyclo[4.2.0]octan-3-yl]methyl acetate","","- C14 H18 O8 -","- C14 H18 O8 -","- C56 H72 O32 -","4","2","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.039","0.0318","","","0.0783","0.0816","","","","","","1.026","","","","has coordinates,has Fobs","188752","2020-10-21","18:00:00",""
"2241967","8.991","0.0003","9.6231","0.0005","14.4915","0.0006","90","","101.742","0.003","90","","1227.59","0.09","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,4R,5S,6R)-\ 5-Acetyloxy-7-hydroxyimino-2-oxabicyclo[4.2.0]octan-4-yl acetate","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","2","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.0405","0.0374","","","0.0999","0.1025","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","188752","2020-10-21","18:00:00",""
"2241968","7.0784","0.0005","6.1454","0.0003","18.5176","0.0012","90","","100.476","0.005","90","","792.08","0.09","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(3aR,5R,6R,7R,7aS)-6,7-Bis(acetyloxy)-2-oxooctahydropyrano[3,2-b]pyrrol-5-yl]methyl acetate","","- C14 H19 N O8 -","- C14 H19 N O8 -","- C28 H38 N2 O16 -","2","1","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.0435","0.0417","","","0.1101","0.1122","","","","","","1.076","","","","has coordinates,has Fobs","188752","2020-10-21","18:00:00",""
"2241992","6.2927","0.0007","17.9903","0.0019","7.2991","0.0008","90","","95.216","0.004","90","","822.89","0.16","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aR,3'aR,7aS,7'aS)-2,2,2',2'-Tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl]","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","RZ5201","Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Silveira, Gustavo P.; Vilela, Guilherme D.; Suescun, Leopoldo","Crystal structure and absolute configuration of (3aR,3'aR,7aS,7'aS)-2,2,2',2'-tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl], obtained from a Pd-catalyzed homocoupling reaction","Acta Crystallographica Section E","2017","73","1","81","84","10.1107/S2056989016019927","","","1.54178","CuKα","","0.0281","0.0271","","","0.0704","0.0711","","","","","","1.078","","","","has coordinates,has Fobs","189330","2020-10-21","18:00:00",""
"2241994","10.289","0.004","7.141","0.003","40.33","0.016","90","","95.164","0.007","90","","2951","2","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trichloro(3,3'-di-t-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-\ biphenyl-2-ol)(tetrahydrofuran)titanium(IV)","","- C28 H41 Cl3 O3 Ti -","- C28 H41 Cl3 O3 Ti -","- C112 H164 Cl12 O12 Ti4 -","4","2","RZ5202","Kim, Yun Young; Tanski, Joseph M.","Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3'-di-tert-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-biphenyl-2-olato-κO^2^)(tetrahydrofuran-κO)titanium(IV)","Acta Crystallographica Section E","2017","73","1","88","91","10.1107/S2056989016020156","","","0.71073","MoKα","","0.1518","0.0643","","","0.0988","0.1235","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","189332","2020-10-21","18:00:00",""
"2241997","9.4601","0.0003","6.3779","0.0002","16.7425","0.0004","90","","104.196","0.001","90","","979.32","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-Hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-one","","- C21 H36 O3 -","- C21 H36 O3 -","- C42 H72 O6 -","2","1","","Martínez, Andrea; Santalla, Hugo; Garrido, Fátima; Barry, Aliou Hamady; Gaye, Mohamed; Fall Diop, Yagamare","Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-one","Acta Crystallographica Section E","2017","73","2","115","117","10.1107/S2056989016020648","","","1.54178","CuKα","","0.0335","0.033","","","0.0961","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","189994","2020-10-21","18:00:00",""
"2242009","11.627","0.004","18.929","0.004","13.085","0.003","90","","93.67","0.02","90","","2873.9","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Amino-1-(2',3'-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide","","- C12 H20 N4 O5 -","- C12 H20 N4 O5 -","- C96 H160 N32 O40 -","8","4","SU5343","Piccialli, Vincenzo; Borbone, Nicola; Oliviero, Giorgia; Piccialli, Gennaro; D'Errico, Stefano; Centore, Roberto","5-Amino-1-(2',3'-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure with Z' = 4","Acta Crystallographica Section E","2017","73","2","183","187","10.1107/S2056989017000500","","","0.71073","MoKα","","0.055","0.0389","","","0.08","0.0873","","","","","","1.063","","","","has coordinates,has Fobs","190477","2020-10-21","18:00:00",""
"2242019","4.088","0.0003","21.2246","0.0015","10.2037","0.0007","90","","99.407","0.003","90","","873.43","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate","","- C18 H20 N4 O3 S -","- C18 H20 N4 O3 S -","- C36 H40 N8 O6 S2 -","2","1","XU5898","Bahoussi, Rawia Imane; Djafri, Ahmed; Chouaih, Abdelkader; Djafri, Ayada; Hamzaoui, Fodil","Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate","Acta Crystallographica Section E","2017","73","2","173","176","10.1107/S205698901700041X","","","0.71073","MoKα","","0.044","0.036","","","0.0903","0.0943","","","","","","1.061","","","","has coordinates,has Fobs","190484","2020-10-21","18:00:00",""
"2242088","7.7388","0.0005","5.9128","0.0004","15.7769","0.001","90","","96.39","0.002","90","","717.43","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-[4-(Benzyloxy)benzyl]oxazolidine-2,5-dione","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Inada, Aya; Kanazawa, Hitoshi","Crystal structure of (S)-4-[4-(benzyloxy)benzyl]oxazolidine-2,5-dione","Acta Crystallographica Section E","2017","73","4","553","555","10.1107/S2056989017004236","","","0.71075","MoKα","","0.0391","0.0312","","","0.0634","0.0677","","","","","","1.097","","","","has coordinates,has Fobs","194409","2020-10-21","18:00:00",""
"2242092","8.3663","0.0002","13.0442","0.0004","12.5363","0.0002","90","","103.46","0.002","90","","1330.53","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Butyl-1-chloro-3-methyl-3H-2,1λ^4^-benzoxatellurole","","- C12 H17 Cl O Te -","- C12 H17 Cl O Te -","- C48 H68 Cl4 O4 Te4 -","4","2","HG5483","Zukerman-Schpector, Julio; Cunha, Rodrigo; Omori, Álvaro T.; Sousa Madureira, Lucas; Tiekink, Edward R. T.","1-Butyl-1-chloro-3-methyl-3H-2,1λ^4^-benzoxatellurole: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","4","564","568","10.1107/S2056989017003887","","","0.71073","MoKα","","0.0282","0.0274","","","0.0742","0.0755","","","","","","1.016","","","","has coordinates,has Fobs","194502","2020-10-21","18:00:00",""
"2242123","6.3121","0.0001","10.5611","0.0002","7.9925","0.0002","90","","112.126","0.003","90","","493.57","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,4R,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol","","- C10 H18 O2 -","- C10 H18 O2 -","- C20 H36 O4 -","2","1","HG5490","Collis, Gavin E.; Unterweger, Birgit; Dumsday, Geoff J.; Forsyth, Craig M.","Structural elucidation of a hydroxy‒cineole product obtained from cytochrome P450 monooxygenase CYP101J2 catalysed transformation of 1,8-cineole","Acta Crystallographica Section E","2017","73","8","1242","1245","10.1107/S2056989017010015","","","1.54184","CuKα","","0.0294","0.0291","","","0.0755","0.0759","","","","","","1.045","","","","has coordinates,has Fobs","198918","2020-10-21","18:00:00",""
"2242127","8.3465","0.0002","10.9783","0.0003","14.6583","0.0004","90","","101.056","0.001","90","","1318.22","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Oxours-12-ene-27a,28-dioic acid","","- C30 H44 O5 -","- C30 H44 O5 -","- C60 H88 O10 -","2","1","RZ5213","Bankeu Kezetas, Jean Jules; Dietagoum Madjouka, Stéphanie; Kumar, Rajesh; Ali, Muhammad Shaiq; Lenta Njakou, Bruno; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)","Acta Crystallographica Section E","2017","73","5","763","766","10.1107/S2056989017006077","","","1.54178","CuKα","","0.0421","0.0414","","","0.1144","0.1152","","","","","","1.055","","","","has coordinates,has Fobs","199107","2020-10-21","18:00:00",""
"2242131","5.8494","0.0004","12.6458","0.0008","9.5658","0.0006","90","","104.763","0.002","90","","684.23","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-Methyl (R,E)-4-[(2R,4R)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","","- C10 H14 Cl3 N O5 -","- C10 H14 Cl3 N O5 -","- C20 H28 Cl6 N2 O10 -","2","1","SU5377","Oishi, Takeshi; Kidena, Mayu; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-methyl (R,E)-4-[(2R,4R)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","Acta Crystallographica Section E","2017","73","7","983","986","10.1107/S2056989017008283","","","0.71073","MoKα","","0.0332","0.03","","","0.0573","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","199109","2020-10-21","18:00:00",""
"2242134","8.6885","0.0007","7.9478","0.0006","15.3417","0.001","90","","103.908","0.002","90","","1028.35","0.13","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Naltrexone chloride ethanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride ethanol monosolvate","","- C22 H30 Cl N O5 -","- C22 H30 Cl N O5 -","- C44 H60 Cl2 N2 O10 -","2","1","JJ2196","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0531","0.0381","","","0.0769","0.0824","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242136","8.8487","0.0004","17.3281","0.0009","15.5702","0.0008","90","","92.702","0.002","90","","2384.7","0.2","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","naltrexone chloride t-butanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride 2-methylpropan-2-ol monosolvate","","- C24 H34 Cl N O5 -","- C24 H34 Cl N O5 -","- C96 H136 Cl4 N4 O20 -","4","2","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","1.54178","CuKα","","0.0387","0.0332","","","0.0763","0.0791","","","","","","1.044","","","","has coordinates,has Fobs","199113","2020-10-21","18:00:00",""
"2242175","9.1456","0.001","10.586","0.0008","19.974","0.002","90","","97.11","0.009","90","","1918.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis{(E)-[4-(dimethylamino)benzylidene]amino}propan-2-ol","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C84 H112 N16 O4 -","4","2","SJ5528","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis{(E)-[4-(dimethylamino)benzylidene]amino}propan-2-ol: chain structure formation via an O—H···N hydrogen bond","Acta Crystallographica Section E","2017","73","6","813","816","10.1107/S2056989017006429","","","0.71073","MoKα","","0.1216","0.0634","","","0.1322","0.1555","","","","","","0.93","","","","has coordinates,has Fobs","199145","2020-10-21","18:00:00",""
"2242181","5.4143","0.0002","5.4176","0.0002","11.92","0.0005","90","","90.977","0.001","90","","349.59","0.02","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4S,5R,6S)-4,5,6-Trihydroxy-3-methylcyclohex-2-enone","","- C7 H10 O4 -","- C7 H10 O4 -","- C14 H20 O8 -","2","1","RZ5209","Tibhe, Gaurao D.; Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo","Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)","Acta Crystallographica Section E","2017","73","4","606","609","10.1107/S2056989017004509","","","1.54178","CuKα","","0.0333","0.033","","","0.0874","0.0877","","","","","","1.079","","","","has coordinates,has Fobs","199151","2020-10-21","18:00:00",""
"2242193","6.364","0.0017","9.627","0.003","6.8627","0.0018","90","","101.805","0.004","90","","411.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis[(1H-tetrazol-5-yl)methyl]nitramide","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C8 H12 N20 O4 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1H-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1H-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.042","0.0362","","","0.0965","0.1022","","","","","","1.144","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242225","9.4938","0.0007","11.5325","0.0008","11.3739","0.0009","90","","109.557","0.002","90","","1173.45","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-s-indacene","","- C28 H32 B N3 -","- C28 H32 B N3 -","- C56 H64 B2 N6 -","2","1","SJ5520","Yang, Lijing; Drew, Brett; Yalagala, Ravi Shekar; Chaviwala, Rameez; Simionescu, Razvan; Lough, Alan J.; Yan, Hongbin","Crystal structure and solvent-dependent behaviours of 3-amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-s-indacene","Acta Crystallographica Section E","2017","73","3","378","382","10.1107/S2056989017002213","","","0.71073","MoKα","","0.0638","0.0455","","","0.0947","0.1041","","","","","","1.026","","","","has coordinates,has Fobs","199190","2020-10-21","18:00:00",""
"2242232","5.6955","0.0014","3.8408","0.0005","14.592","0.004","90","","91.631","0.019","90","","319.07","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N'-Aminopyridine-2-carboximidamide","","- C6 H8 N4 -","- C6 H8 N4 -","- C12 H16 N8 -","2","1","NK2236","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of N'-aminopyridine-2-carboximidamide and N'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.1019","0.072","","","0.1784","0.1928","","","","","","0.874","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242261","7.5941","0.0006","10.0703","0.0006","7.8286","0.0006","90","","112.402","0.009","90","","553.51","0.08","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Murray N-oxide catalyst","1-Methylimidazole 3-N-oxide monohydrate","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","2","HB7643","Frampton, Christopher S.; Murray, James I.; Spivey, Alan C.","Crystal structure of 1-methylimidazole 3-oxide monohydrate","Acta Crystallographica Section E","2017","73","3","372","374","10.1107/S2056989017002079","","","1.54184","CuKα","","0.0461","0.0415","","","0.1143","0.1192","","","","","","1.013","","","","has coordinates,has Fobs","199218","2020-10-21","18:00:00",""
"2242289","5.4258","0.0002","8.9491","0.0003","11.4365","0.0003","90","","94.092","0.003","90","","553.9","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hibiscus acid dimethyl sulfoxide monosolvate","(2S,3R)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H12 O8 S -","- C8 H12 O8 S -","- C16 H24 O16 S2 -","2","1","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0569","0.0473","","","0.1079","0.1132","","","","","","1.045","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242290","9.3057","0.0006","7.6934","0.0006","13.4012","0.0011","90","","96.243","0.007","90","","953.74","0.12","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","hibiscus acid dimethyl ester","Dimethyl (2S,3R)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylate","","- C8 H10 O7 -","- C8 H10 O7 -","- C32 H40 O28 -","4","2","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0545","0.0437","","","0.1073","0.121","","","","","","1.096","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242303","12.872","0.006","10.139","0.005","13.46","0.006","90","","103.104","0.009","90","","1710.9","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1S,2S,5R)-5-(acetylamino)-4-oxo-2,3-diphenyl-1,3-\ thiazinan-1-ium-1-olate","(1S,2S,5R)-5-Acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","2","ZS2387","Yennawar, Hemant P.; Noble, Duncan J.; Silverberg, Lee J.","Crystal structure of (1S,2S,5R)-5-acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","Acta Crystallographica Section E","2017","73","10","1417","1420","10.1107/S2056989017012488","","","0.71073","MoKα","","0.0562","0.0489","","","0.1204","0.1276","","","","","","1.024","","","","has coordinates,has Fobs","200205","2020-10-21","18:00:00",""
"2242304","10.257","0.0018","7.6151","0.0013","11.503","0.002","90","","101.11","0.003","90","","881.6","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-hydroxyroyleanone","(4bS,8aS,10S)-3,10-Dihydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Xu, Shicheng; Ma, Xinhua; Ke, Ruifang; Deng, Shihao; Yang, Xinzhou; Song, Ping","Crystal structure of 7β-hydroxyroyleanone isolated from Taxodium ascendens (B.)","Acta Crystallographica Section E","2017","73","10","1414","1416","10.1107/S2056989017011987","","","0.71073","MoKα","","0.0322","0.0303","","","0.0812","0.083","","","","","","1.029","","","","has coordinates,has Fobs","200206","2020-10-21","18:00:00",""
"2242311","10.8002","0.0015","5.1439","0.0007","13.3931","0.0019","90","","98.382","0.001","90","","736.11","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Deoxy-1-(N-methyl-p-methoxyphenylamino)-D-fructose","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","QM2121","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Crystal structure of the acyclic form of 1-deoxy-1-[(4-methoxyphenyl)(methyl)amino]-D-fructose","Acta Crystallographica Section E","2018","74","2","127","132","10.1107/S2056989018000099","","","0.71073","MoKα","","0.0346","0.0313","","","0.0793","0.0815","","","","","","1.044","","","","has coordinates,has Fobs","205164","2020-10-21","18:00:00",""
"2242322","8.81934","0.00018","15.3698","0.0003","15.4209","0.0003","90","","103.294","0.002","90","","2034.31","0.07","297","1","297","1","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(dimethyl sulfoxide-κO)triphenyltin(IV)","","- C20 H21 Cl O S Sn -","- C20 H21 Cl O S Sn -","- C80 H84 Cl4 O4 S4 Sn4 -","4","2","HB4193","Pouye, Serigne Fallou; Cissé, Ibrahima; Diop, Libasse; Ríos-Merino, Francisco Javier; Bernès, Sylvain","Monoclinic polymorph of chlorido(dimethyl sulfoxide-κO)triphenyltin(IV)","Acta Crystallographica Section E","2018","74","2","163","166","10.1107/S2056989018000439","","","0.71073","MoKα","","0.072","0.038","","","0.0697","0.0826","","","","","","1.036","","","","has coordinates,has Fobs","205171","2020-10-21","18:00:00",""
"2242333","10.832","0.0002","28.161","0.0005","11.3392","0.0002","90","","90.098","0.001","90","","3458.9","0.11","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κN)manganate(II)","","- C26 H33 Mn N11 S5 -","- C26 H33 Mn N11 S5 -","- C104 H132 Mn4 N44 S20 -","4","2","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κN)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κN)manganate(II)","Acta Crystallographica Section E","2018","74","1","15","20","10.1107/S2056989017017510","","","0.71073","MoKα","","0.0416","0.0388","","","0.098","0.0993","","","","","","1.049","","","","has coordinates,has Fobs","205716","2020-10-21","18:00:00",""
"2242341","10.4348","0.0017","7.6726","0.0013","10.821","0.0018","90","","97.773","0.003","90","","858.4","0.2","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","(4bS)-3-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-1,4-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","QM2118","Chen, Li; Ma, Xinhua; Deng, ShiHao; Yang, XinZhou; Song, Ping","Crystal structure of 6,7-dehydroroyleanone isolated from Taxodium distichum (L.) Rich.","Acta Crystallographica Section E","2018","74","1","62","64","10.1107/S2056989017017935","","","0.71073","MoKα","","0.0553","0.0473","","","0.1332","0.1425","","","","","","1.082","","","","has coordinates,has Fobs","205722","2020-10-21","18:00:00",""
"2242380","7.928","0.005","4.843","0.003","11.444","0.007","90","","94.03","0.05","90","","438.3","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","(E)-1-naphthaldehyde oxime","(E)-1-Naphthaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C22 H18 N2 O2 -","2","1","ZS2397","Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher","Crystal structures of (E)-1-naphthaldehyde oxime and (E)-phenanthrene-9-carbaldehyde oxime","Acta Crystallographica Section E","2018","74","3","332","336","10.1107/S2056989018002116","","","0.71073","MoKα","","0.1179","0.0551","","","0.0825","0.0983","","","","","","1.063","","","","has coordinates,has Fobs","206431","2020-10-21","18:00:00",""
"2242381","8.2397","0.0008","4.9728","0.0005","13.9332","0.0014","90","","106.68","0.007","90","","546.88","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","E-phenanthrene-9-carbaldehyde oxime","(E)-Phenanthrene-9-carbaldehyde oxime","","- C15 H11 N O -","- C15 H11 N O -","- C30 H22 N2 O2 -","2","1","ZS2397","Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher","Crystal structures of (E)-1-naphthaldehyde oxime and (E)-phenanthrene-9-carbaldehyde oxime","Acta Crystallographica Section E","2018","74","3","332","336","10.1107/S2056989018002116","","","0.71073","MoKα","","0.0634","0.04","","","0.0833","0.0933","","","","","","1.041","","","","has coordinates,has Fobs","206431","2020-10-21","18:00:00",""
"2242398","12.1129","0.0003","7.8973","0.0002","12.9253","0.0003","90","","94.93","0.001","90","","1231.85","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate","","- C29 H36 O5 -","- C29 H36 O5 -","- C58 H72 O10 -","2","1","IS5486","Ogbeide, K. Osahon; Kumar, Rajesh; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol","Acta Crystallographica Section E","2018","74","3","385","389","10.1107/S2056989018002499","","","1.54178","CuKα","","0.0398","0.0347","","","0.0819","0.0845","","","","","","1.004","","","","has coordinates,has Fobs","206648","2020-10-21","18:00:00",""
"2242401","8.3169","0.0012","34.28","0.005","10.101","0.0014","90","","114.293","0.004","90","","2624.8","0.7","298","2","298.31","","","","","","","","","4","P 1 21 1","P 2yb","4","","(7S,9S)-7-{[(2R,4S,5S,6S)-4-Azaniumyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracen-5,12-dione nitrate","","- C27 H30 N2 O14 -","- C27 H30 N2 O14 -","- C108 H120 N8 O56 -","4","2","WM5435","Mathivathanan, Logesh; Yang, Guang; Leng, Fenfei; Raptis, Raphael G.","Crystal structure and conformational analysis of doxorubicin nitrate","Acta Crystallographica Section E","2018","74","3","400","405","10.1107/S2056989018002955","","","0.71073","MoKα","","0.0951","0.0498","","","0.0814","0.093","","","","","","1.008","","","","has coordinates,has Fobs","206717","2020-10-21","18:00:00",""
"2242403","10.3142","0.001","6.1114","0.0008","20.844","0.003","90","","92.83","0.01","90","","1312.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C28 H34 N2 O5 -","- C28 H34 N2 O5 -","- C56 H68 N4 O10 -","2","1","HB7734","Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Machado, Angelo H. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","3","414","418","10.1107/S2056989018003092","","","0.71073","MoKα","","0.1094","0.0562","","","0.1263","0.1437","","","","","","0.979","","","","has coordinates,has Fobs","206719","2020-10-21","18:00:00",""
"2242405","7.4","0.05","12.87","0.05","13.92","0.05","90","","101.9","0.5","90","","1297","11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-N-((S)-{(2S,4R,6R)-6-[(S)-2,3-Dihydroxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2H-pyran-2-yl}(hydroxy)methyl)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetamide methanol monosolvate","","- C23 H43 N O10 -","- C23 H43 N O10 -","- C46 H86 N2 O20 -","2","1","","Szebenyi, D. Marian; Kriksunov, Irina; Howe, Kevin J.; Ramsey, John S.; Hall, David G.; Heck, Michelle L.; Krasnoff, Stuart B.","Crystal structure of diaphorin methanol monosolvate isolated from Diaphorina citri Kuwayama, the insect vector of citrus greening disease","Acta Crystallographica Section E","2018","74","4","445","449","10.1107/S2056989018002992","","","0.9768","synchrotron","","0.0443","0.0442","","","0.1092","0.1095","","","","","","1.063","","","","has coordinates,has Fobs","206762","2020-10-21","18:00:00",""
"2242428","12.0263","0.0007","12.3999","0.0005","21.9164","0.0014","90","","105.326","0.0014","90","","3152.1","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecane)bis(phenylethynyl)cobalt(III) trifluoromethanesulfonate‒dichloromethane (2/1)","","- C59 H78 Cl2 Co2 F6 N8 O6 S2 -","- C59 H78 Cl2 Co2 F6 N8 O6 S2 -","- C118 H156 Cl4 Co4 F12 N16 O12 S4 -","2","1","VM2209","Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong","Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide","Acta Crystallographica Section E","2018","74","4","522","529","10.1107/S2056989018003997","","","0.71073","MoKα","","0.0519","0.034","","","0.0721","0.0779","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","206944","2020-10-21","18:00:00",""
"2242458","7.4103","0.0002","10.4681","0.0003","12.8121","0.0003","90","","102.235","0.001","90","","971.28","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4bS,8aR)-1-Isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","XU5922","Laamari, Yassine; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Auhmani, Aziz; Ketatni, El Mostafa","Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate","Acta Crystallographica Section E","2018","74","5","728","730","10.1107/S2056989018005510","","","1.54178","CuKα","","0.0302","0.0298","","","0.0761","0.0765","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207551","2020-10-21","18:00:00",""
"2242461","4.0181","0.0002","5.7296","0.0003","27.5566","0.0014","90","","91.66","0.004","90","","634.14","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","coumarin","2-Oxo-2H-chromen-7-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","KQ2021","Abou, Akoun; Yoda, Jules; Djandé, Abdoulaye; Coussan, Stéphane; Zoueu, T. Jérémie","Crystal structure of 2-oxo-2H-chromen-7-yl 4-fluorobenzoate","Acta Crystallographica Section E","2018","74","5","761","765","10.1107/S205698901800614X","","","1.54184","CuKα","","0.0364","0.0353","","","0.0974","0.0983","","","","","","1.127","","","","has coordinates,has Fobs","207554","2020-10-21","18:00:00",""
"2242490","9.6757","0.0005","5.2885","0.0003","28.0136","0.0015","90","","98.3","0.003","90","","1418.44","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-2-Amino-3-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","4","LH5872","Curland, Sofia; Meirzadeh, Elena; Diskin-Posner, Yael","Crystal structure of a new polymorph of (2S,3S)-2-amino-3-methylpentanoic acid","Acta Crystallographica Section E","2018","74","6","776","779","10.1107/S2056989018006126","","","0.71073","MoKα","","0.0836","0.0774","","","0.2069","0.2107","","","","","","1.147","","","","has coordinates,has Fobs","207601","2020-10-21","18:00:00",""
"2242501","9.2538","0.0006","6.0642","0.0004","17.1441","0.001","90","","91.475","0.002","90","","961.75","0.11","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","(‒)-(R,E)-3-(1,3-Benzodioxol-5-yl)-5-{(4S,5R)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl}-N,N-dimethylpent-4-enamide","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","IS5496","Oishi, Takeshi; Ishii, Koki; Ishibashi, Mizuki; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-(R,E)-3-(1,3-benzodioxol-5-yl)-5-[(4S,5R)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylpent-4-enamide","Acta Crystallographica Section E","2018","74","6","825","828","10.1107/S2056989018007132","","","0.71073","MoKα","","0.0655","0.0458","","","0.0786","0.0989","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","207861","2020-10-21","18:00:00",""
"2242548","6.293","0.0008","5.3712","0.0007","14.0916","0.0017","90","","92.885","0.002","90","","475.71","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid","(2R,3R)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic acid","","- C9 H12 O6 -","- C9 H12 O6 -","- C18 H24 O12 -","2","1","EB2009","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Vinogradov, Alexey A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","(2R,3R)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic and (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acids","Acta Crystallographica Section E","2018","74","8","1058","1062","10.1107/S2056989018009593","","","0.71073","MoKα","","0.0689","0.0429","","","0.0733","0.0825","","","","","","1.058","","","","has coordinates,has Fobs","208937","2020-10-21","18:00:00",""
"2242549","6.4272","0.0008","5.2976","0.0006","15.5678","0.0019","90","","94.469","0.002","90","","528.45","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid","(2R,3R)-1,4-Dioxaspiro[4.5]decane-2,3-dicarboxylic acid","","- C10 H14 O6 -","- C10 H14 O6 -","- C20 H28 O12 -","2","1","EB2009","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Vinogradov, Alexey A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","(2R,3R)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic and (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acids","Acta Crystallographica Section E","2018","74","8","1058","1062","10.1107/S2056989018009593","","","0.71073","MoKα","","0.0293","0.0276","","","0.0703","0.0717","","","","","","1.051","","","","has coordinates,has Fobs","208937","2020-10-21","18:00:00",""
"2242554","7.1477","0.0002","11.0616","0.0003","13.346","0.0004","90","","104.929","0.003","90","","1019.58","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(2-{[2-({2-[bis(carboxylato-κO-methyl)amino-κN]ethyl}(carboxylato-κO-methyl)amino-κN)ethyl](carboxymethyl)azaniumyl}acetato)gallium(III) trihydrate","","- C14 H28 Ga N3 O14 -","- C14 H28 Ga N3 O14 -","- C28 H56 Ga2 N6 O28 -","2","1","IS5497","Wallin, Martin; Turner, Peter; Katsifis, Andrew; Yang, Mingshi; Chan, Hak-Kim","Crystal structure of aqua(2-{[2-({2-[bis(carboxylato-κO-methyl)amino-κN]ethyl}(carboxylato-κO-methyl)amino-κN)ethyl](carboxymethyl)azaniumyl}acetato)gallium(III) trihydrate","Acta Crystallographica Section E","2018","74","8","1054","1057","10.1107/S2056989018009428","","","0.71073","MoKα","","0.0624","0.0435","","","0.067","0.0731","","","","","","1.05","","","","has coordinates,has Fobs","208942","2020-10-21","18:00:00",""
"2242596","9.0154","0.0018","7.6122","0.0015","17.138","0.003","90","","104.38","0.03","90","","1139.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate","","- C25 H17 Ag N4 O9 -","- C25 H17 Ag N4 O9 -","- C50 H34 Ag2 N8 O18 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0263","0.023","","","0.0524","0.0534","","","","","","1.34","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242600","8.1183","0.0007","6.0636","0.0005","14.1453","0.0011","90","","91.904","0.001","90","","695.93","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","","- C12 H12 N4 O7 -","- C12 H12 N4 O7 -","- C24 H24 N8 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0664","0.0413","","","0.0803","0.0883","","","","","","1.16","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242615","4.8744","0.0002","5.0042","0.0002","21.0759","0.001","90","","93.867","0.004","90","","512.92","0.04","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Sodium (1S)-D-mannit-1-ylsulfonate","Sodium (1S,2S,3S,4R,5R)-1,2,3,4,5,6-\ hexahydroxyhexane-1-sulfonate","","- C6 H13 Na O9 S -","- C6 H13 Na O9 S -","- C12 H26 Na2 O18 S2 -","2","1","HB7768","Haines, Alan H.; Hughes, David L.","Crystal structure of sodium (1S)-D-mannit-1-ylsulfonate","Acta Crystallographica Section E","2018","74","9","1314","1318","10.1107/S2056989018011556","","","0.71073","Mo-Kα","","0.0401","0.0391","","","0.0924","0.0928","","","","","","1.163","","","","has coordinates,has Fobs","210136","2020-10-21","18:00:00",""
"2242618","12.1044","0.0017","5.3162","0.0008","12.8933","0.0017","90","","115.409","0.004","90","","749.42","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4R)-2-[Bis(2-chloroethyl)amino]-4-isobutyl-1,3,2-oxazaphospholidin-2-one","","- C10 H21 Cl2 N2 O2 P -","- C10 H21 Cl2 N2 O2 P -","- C20 H42 Cl4 N4 O4 P2 -","2","1","FY2130","Rohde Jr, Laurence N.; Zeller, Matthias; Jackson, John A.","Crystal structures of chiral 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphospholidin-2-one derivatives for the absolute configuration at phosphorus","Acta Crystallographica Section E","2018","74","9","1330","1335","10.1107/S2056989018011349","","","0.71073","MoKα","","0.081","0.048","","","0.0873","0.0953","","","","","","1.02","","","","has coordinates,has Fobs","210138","2020-10-21","18:00:00",""
"2242635","11.052","0.008","4.565","0.004","13.541","0.01","90","","97.997","0.011","90","","676.5","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","(E)-3-[(2,6-Dimethylphenyl)diazenyl]-7-methyl-1H-indazole","","- C16 H16 N4 -","- C16 H16 N4 -","- C32 H32 N8 -","2","1","EB2011","Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure of (E)-3-[(2,6-dimethylphenyl)diazenyl]-7-methyl-1H-indazole","Acta Crystallographica Section E","2018","74","10","1421","1423","10.1107/S2056989018012483","","","0.71073","MoKα","","0.0863","0.0674","","","0.1642","0.1795","","","","","","1.01","","","","has coordinates","210974","2020-10-21","18:00:00",""
"2242638","5.251","0.002","6.317","0.002","12.999","0.005","90","","91.643","0.004","90","","431","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","VM2211","Yamazaki, Shu; Nishiyama, Kazuki; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure of 3,6-dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde","Acta Crystallographica Section E","2018","74","10","1424","1426","10.1107/S2056989018012495","","","0.71073","MoKα","","0.0294","0.0289","","","0.0813","0.0821","","","","","","1.06","","","","has coordinates,has Fobs","210976","2020-10-21","18:00:00",""
"2242671","11.6136","0.0003","6.2403","0.0001","12.6875","0.0003","90","","104.385","0.001","90","","890.67","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","13-(E)-(2-Aminobenzylidene)parthenolide","(1aR,4E,7aS,8E,10aS,10bR)-8-(2-Aminobenzylidene)-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","SJ5564","Bommagani, Shobanbabu; Penthala, Narsihma R.; Parkin, Sean; Crooks, Peter A.","Crystal structure of 13-(E)-(2-aminobenzylidene)parthenolide","Acta Crystallographica Section E","2018","74","11","1543","1546","10.1107/S2056989018013622","","","1.54178","CuKα","","0.0322","0.0318","","","0.0837","0.0842","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","211390","2020-10-21","18:00:00",""
"2242680","5.0922","0.0001","10.145","0.0002","8.195","0.0002","90","","103.834","0.002","90","","411.076","0.016","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Asparaginium chloride monohydrate","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C8 H22 Cl2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of L-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0225","0.0216","","","0.0573","0.0579","","","","","","1.073","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242681","5.2167","0.0002","10.2784","0.0005","8.3063","0.0004","90","","103.606","0.005","90","","432.88","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Asparaginium bromide monohydrate","","- C4 H11 Br N2 O4 -","- C4 H11 Br N2 O4 -","- C8 H22 Br2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of L-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0305","0.0276","","","0.0602","0.0623","","","","","","1.031","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242682","5.3668","0.0005","10.6744","0.0008","8.4532","0.0006","90","","102.772","0.008","90","","472.28","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Asparaginium iodide monohydrate","","- C4 H11 I N2 O4 -","- C4 H11 I N2 O4 -","- C8 H22 I2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of L-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0325","0.0286","","","0.0553","0.0581","","","","","","1.02","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242684","12.6776","0.0009","7.9675","0.0006","15.1932","0.0011","90","","95.7559","0.0019","90","","1526.91","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate methanol sesquisolvate","","- C15.5 H19 Na O4.5 -","- C15.5 H19 Na O4.5 -","- C62 H76 Na4 O18 -","4","2","RZ5244","Kriegner, Helene; Weil, Matthias; Jones, Matthew J.","The methanol sesquisolvate of sodium naproxen","Acta Crystallographica Section E","2018","74","11","1624","1627","10.1107/S2056989018014652","","","0.71073","MoKα","","0.0474","0.0388","","","0.0982","0.1047","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","211566","2020-10-21","18:00:00",""
"2242707","4.9498","0.0006","22.34","0.003","7.0003","0.0009","90","","104.4","0.01","90","","749.76","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-N'-(2-Chlorobenzylidene)-4-nitrobenzenesulfonohydrazide","","- C13 H10 Cl N3 O4 S -","- C13 H10 Cl N3 O4 S -","- C26 H20 Cl2 N6 O8 S2 -","2","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of (E)-4-nitro-N'-(o-chloro, o- and p-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.0355","0.0304","","","0.0753","0.0778","","","","","","1.008","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242840","6.432","0.0002","9.3645","0.0003","13.607","0.0005","90","","101.868","0.002","90","","802.06","0.05","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane","","- C15 H16 F6 N O P -","- C15 H16 F6 N O P -","- C30 H32 F12 N2 O2 P2 -","2","1","LH5891","Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.","Crystal structure determination of two pyridine derivatives: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane","Acta Crystallographica Section E","2019","75","2","288","291","10.1107/S2056989019001403","","","0.71073","MoKα","","0.0366","0.0321","","","0.0809","0.0844","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","213445","2020-10-21","18:00:00",""
"2242875","7.2779","0.0002","8.5759","0.0003","14.4099","0.0005","90","","93.796","0.005","90","","897.41","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2,4-Dimethoxybenzyl)-2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C40 H38 N2 O12 -","2","1","SU5482","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2H-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and N-(2,4-dimethoxybenzyl)-2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide","Acta Crystallographica Section E","2019","75","4","482","488","10.1107/S2056989019003736","","","0.71073","MoKα","","0.1246","0.0832","","","0.2039","0.2425","","","","","","0.979","","","","has coordinates,has Fobs","214376","2020-10-21","18:00:00",""
"2242896","8.2246","0.0002","15.1419","0.0004","8.6851","0.0002","90","","93.339","0.002","90","","1079.77","0.05","298","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^N,O^1^]\ chloridochromium(II) monohydrate","","- C14 H30 Cl Cr N3 O9 -","- C14 H30 Cl Cr N3 O9 -","- C28 H60 Cl2 Cr2 N6 O18 -","2","1","","Saidi, Meriem; Giorgi, Michel; Boukli-hacene, Leila","Sonochemical synthesis and crystal structure of dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^N,O^1^]chloridochromium(II) monohydrate","Acta Crystallographica Section E","2019","75","5","604","606","10.1107/S2056989019004717","","x-ray","1.54184","CuKα","","0.0533","0.0525","","","0.143","0.1459","","","","","","1.076","","","","has coordinates,has Fobs","214583","2020-10-21","18:00:00",""
"2242897","17.7734","0.0002","4.97864","0.00004","18.7681","0.0002","90","","114.226","0.0014","90","","1514.49","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-{N-[N-(tert-butoxycarbonyl)-L-α-aspartyl]-L-α-aspartyl}-L-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester","","- C28 H37 N3 O13 -","- C28 H37 N3 O13 -","- C56 H74 N6 O26 -","2","1","IS5511","Kato, Takuma; Kishimoto, Saki; Asano, Akiko; Doi, Mitsunobu","Crystal structure of N-{N-[N-(tert-butoxycarbonyl)-L-α-aspartyl]-L-α-aspartyl}-L-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester {Boc-[Asp(OMe)]~3~-OPac}","Acta Crystallographica Section E","2019","75","5","585","588","10.1107/S2056989019004596","","","1.54184","CuKα","","0.0266","0.0258","","","0.0716","0.0723","","","","","","0.766","","","","has coordinates,has disorder,has Fobs","214584","2020-10-21","18:00:00",""
"2242916","13.2989","0.0011","12.7097","0.0007","23.33","0.0016","90","","93.727","0.006","90","","3935","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","10,10'-Oxybis(9-thia-10-hydro-10-boraanthracene)","","- C24 H16 B2 O S2 -","- C24 H16 B2 O S2 -","- C192 H128 B16 O8 S16 -","8","4","LH5900","Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene)","Acta Crystallographica Section E","2019","75","5","690","694","10.1107/S205698901900522X","","","0.71073","MoKα","","0.0581","0.045","","","0.0779","0.0816","","","","","","0.899","","","","has coordinates,has Fobs","214792","2020-10-21","18:00:00",""
"2242927","4.7724","0.0006","14.4069","0.0017","15.6857","0.0019","90","","98.393","0.002","90","","1066.9","0.2","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Ascorbic acid‒4,4'-bipyridine (1/1)","","- C22 H24 N2 O12 -","- C22 H24 N2 O12 -","- C44 H48 N4 O24 -","2","1","EB2018","Sylvester, Eric; McGovern, Mitchell; Young Lee, An; Nguyen, Phanxico; Park, Jungeun; Benedict, Jason B.","Partial charge transfer in the salt co-crystal of L-ascorbic acid and 4,4'-bipyridine","Acta Crystallographica Section E","2019","75","6","728","731","10.1107/S2056989019005334","","x-ray","0.71073","MoKα","","0.0472","0.0396","","","0.095","0.0994","","","","","","1.0607","","","","has coordinates,has disorder","214939","2020-10-21","18:00:00",""
"2242930","4.9409","0.0004","39.015","0.003","5.8447","0.0004","90","","100.905","0.003","90","","1106.33","0.15","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-[(Ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(L-alaninate)","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","ZP2034","Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin","Crystal structure of dimethyl N,N'-[(ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(L-alaninate)","Acta Crystallographica Section E","2019","75","6","751","754","10.1107/S2056989019005826","","","0.71073","MoKα","","0.0785","0.0545","","","0.1143","0.1247","","","","","","1.004","","","","has coordinates,has Fobs","215129","2020-10-21","18:00:00",""
"2242937","9.32","0.003","9.974","0.003","12.949","0.005","90","","109.71","0.013","90","","1133.2","0.7","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]","","- C21 H20 Cl Cu N5 O6 -","- C21 H20 Cl Cu N5 O6 -","- C42 H40 Cl2 Cu2 N10 O12 -","2","1","ZL2754","Cioncoloni, Giacomo; Wilson, Claire; Roger, Isolda; Symes, Mark D.","Crystal structure of catena-poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]","Acta Crystallographica Section E","2019","75","6","789","793","10.1107/S2056989019006285","","","0.71073","MoKα","","0.0838","0.0584","","","0.1329","0.1466","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","215172","2020-10-21","18:00:00",""
"2242960","13.936","0.003","15.501","0.003","15.988","0.003","90","","105.92","0.16","90","","3321","3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl α-L-rhamnopyranosyl-(1\ρightarrow2)-α-L-rhamnopyranoside monohydrate","","- C13 H26 O10 -","- C13 H26 O10 -","- C104 H208 O80 -","8","4","IS5512","Eriksson, Lars; Widmalm, Göran","Crystal structure of methyl α-L-rhamnopyranosyl-(1\ρightarrow 2)-α-L-rhamnopyranoside monohydrate","Acta Crystallographica Section E","2019","75","6","854","857","10.1107/S2056989019006935","","","1.54184","CuKα","","0.2689","0.0753","","","0.148","0.1733","","","","","","0.849","","","","has coordinates,has Fobs","215532","2020-10-21","18:00:00",""
"2242974","10.144","0.003","7.952","0.002","10.928","0.003","90","","97.104","0.012","90","","874.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-Diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C42 H32 N4 O4 -","2","1","LH5908","Ghandour, Ismail; Bouayad, Abdelouahed; Hökelek, Tuncer; Haoudi, Amal; Capet, Frédéric; Renard, Catherine; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione","Acta Crystallographica Section E","2019","75","7","951","956","10.1107/S2056989019007801","","","0.71073","MoKα","","0.0414","0.0352","","","0.0863","0.0901","","","","","","1.029","","","","has coordinates,has Fobs","215713","2020-10-21","18:00:00",""
"2242976","6.2525","0.0008","7.797","0.001","10.281","0.0013","90","","104.744","0.002","90","","484.7","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pirfenidone","5-Methyl-1-phenylpyridin-2(1H)-one","","- C12 H11 N O -","- C12 H11 N O -","- C24 H22 N2 O2 -","2","1","","Barbero, Mauro; Mossotti, Matteo; Sironi, Angelo; Giovenzana, Giovanni Battista; Colombo, Valentina","Crystal structure of pirfenidone (5-methyl-1-phenyl-1H-pyridin-2-one): an active pharmaceutical ingredient (API)","Acta Crystallographica Section E","2019","75","7","984","986","10.1107/S2056989019006418","","","0.71073","MoKα","","0.0446","0.037","","","0.0902","0.0954","","","","","","1.043","","","","has coordinates","215868","2020-10-21","18:00:00",""
"2242977","8.5134","0.0004","23.7812","0.0009","8.9028","0.0004","90","","101.401","0.004","90","","1766.88","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2R,3R)-\ tartrato(4-)]dicopper(II) octahydrate","Aqua-1κO-bis(4,4'-dimethoxy-2,2'-bipyridine)-1κ^2^N,N';2κ^2^N,N'-[μ-(2R,3R)-2,3-dioxidosuccinato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^]dicopper(II) octahydrate","","- C28 H44 Cu2 N4 O19 -","- C28 H44 Cu2 N4 O19 -","- C56 H88 Cu4 N8 O38 -","2","1","ZQ2247","Wiedemann, Dennis; Kulko, Roman-David; Grohmann, Andreas","Synthesis, characterization, and crystal structure of aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2R,3R)-tartrato(4{-})]dicopper(II) octahydrate","Acta Crystallographica Section E","2019","75","7","972","975","10.1107/S2056989019008053","","x-ray","0.71073","MoKα","","0.0309","0.028","","","0.0705","0.0718","","","","","","1.036","","","","has coordinates,has Fobs","215869","2020-10-21","18:00:00",""
"2242998","5.8052","0.0003","11.954","0.0006","9.6135","0.0005","90","","95.506","0.001","90","","664.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Fructose-cycloleucine","1-[(1-Deoxy-β-D-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate","","- C12 H21 N O7 -","- C12 H21 N O7 -","- C24 H42 N2 O14 -","2","1","EB2020","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Multicentered hydrogen bonding in 1-[(1-deoxy-β-D-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate (`D-fructose-cycloleucine')","Acta Crystallographica Section E","2019","75","8","1096","1101","10.1107/S2056989019009253","","","0.71073","MoKα","","0.0318","0.0293","","","0.0709","0.0729","","","","","","1.03","","","","has coordinates,has Fobs","216702","2020-10-21","18:00:00",""
"2243005","6.0135","0.0003","7.4994","0.0004","14.6318","0.0007","90","","101.401","0.002","90","","646.84","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(6-Bromonaphthalen-2-yl)oxy]-2,3,5,6-tetrafluoropyridine","","- C15 H6 Br F4 N O -","- C15 H6 Br F4 N O -","- C30 H12 Br2 F8 N2 O2 -","2","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0342","0.0305","","","0.0568","0.0575","","","","","","1.143","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243135","11.072","0.002","3.9664","0.0008","17.557","0.004","90","","104.5","0.002","90","","746.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-{3-[4-(Dimethylamino)phenyl]allylidene}-1H-indene-1,3(2H)-dione","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana","Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1H-indene-1,3(2H)-dione and (E)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1H-indene-1,3(2H)-dione","Acta Crystallographica Section E","2019","75","11","1595","1599","10.1107/S205698901901329X","","","0.71073","MoKα","","0.0453","0.0438","","","0.1201","0.1214","","","","","","1.115","","","","has coordinates,has Fobs","219185","2020-10-21","18:00:00",""
"2243137","5.1593","0.0006","8.6124","0.0009","13.5745","0.0019","90","","97.087","0.004","90","","598.56","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Aminopyridinium hydrogen phthalate","2-Aminopyridinium hydrogen phthalate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","","Siva, V.; Suresh, M.; Athimoolam, S.; Asath Bahadur, S.","Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate","Acta Crystallographica Section E","2019","75","11","1627","1631","10.1107/S2056989019012957","","","0.71073","MoKα","","0.0624","0.0588","","","0.1764","0.1856","","","","","","1.24","","","","has coordinates,has Fobs","219187","2020-10-21","18:00:00",""
"2243147","12.8265","0.0013","4.7699","0.0005","13.5033","0.0016","90","","109.713","0.003","90","","777.73","0.15","190","1","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-4-nitrobenzoic acid‒5-nitroquinoline","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5931","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","Acta Crystallographica Section E","2019","75","11","1694","1699","10.1107/S2056989019013896","","","0.71075","MoKα","","0.0759","0.0556","","","0.1487","0.1688","","","","","","1.05","","","","has coordinates,has Fobs","219489","2020-10-21","18:00:00",""
"2243183","11.4868","0.0002","8.6444","0.0002","11.5561","0.0002","90","","91.3762","0.0016","90","","1147.15","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4,6-Dimethyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)sulfanyl]pyrimidine","","- C20 H26 N2 O9 S -","- C20 H26 N2 O9 S -","- C40 H52 N4 O18 S2 -","2","1","HB7861","Abu-Zaied, Mamdouh A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)sulfanyl]pyrimidine","Acta Crystallographica Section E","2019","75","12","1820","1823","10.1107/S205698901901449X","","","0.71073","MoKα","","0.0301","0.0281","","","0.0716","0.0728","","","","","","1.04","","","","has coordinates,has Fobs","225418","2020-10-21","18:00:00",""
"2243188","12.4711","0.0002","12.0986","0.0002","13.7645","0.0002","90","","91.742","0.001","90","","2075.87","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,3bS,4aS,5aS,6S,7aR,8aR,8bS,11aR)-6-(Furan-3-yl)-3a,5a,8b,11a-tetramethyl-3a,4a,5,5a,6,7,7a,8b,11,11a-decahydrooxireno[2',3':4b,5]oxireno[2'',3'':2',3']cyclopenta[1',2':7,8]phenanthro[10,1-bc]furan-3(3aH)-one hemihydrate","","- C26 H29 O5.5 -","- C26 H29 O5.5 -","- C104 H116 O22 -","4","2","","Kenfack Tsobnang, Patrice; Tsamo Tontsa, Armelle; Mkounga, Pierre; Ephrem Nkengfack, Augustin; Tonlé Kenfack, Ignas","Crystal structure of limonoid TS3, isolated from Trichilia rubescens","Acta Crystallographica Section E","2018","74","8","1083","1086","10.1107/S2056989018009775","","","1.54184","CuKα","","0.0331","0.0313","","","0.0778","0.0797","","","","","","1.021","","","","has coordinates,has Fobs","227656","2020-10-21","18:00:00",""
"2243189","5.8515","0.0008","7.5304","0.001","18.859","0.003","90","","93.979","0.005","90","","829","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-5-Phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate","","- C15 H17 Br N4 O S -","- C15 H17 Br N4 O S -","- C30 H34 Br2 N8 O2 S2 -","2","1","XU5936","Akkurt, Mehmet; Maharramov, Abel M.; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.","Crystal structure and Hirshfeld surface analysis of (E)-5-phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate","Acta Crystallographica Section E","2018","74","9","1290","1294","10.1107/S2056989018011155","","","0.71073","MoKα","","0.0417","0.0371","","","0.0849","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","227657","2020-10-21","18:00:00",""
"2243195","7.6563","0.0002","13.2685","0.0004","8.3688","0.0002","90","","96.968","0.002","90","","843.89","0.04","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Bis(2,4-dimethylphenyl)piperazine","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.","A structural study of 2,4-dimethylaniline derivatives","Acta Crystallographica Section E","2018","74","9","1276","1280","10.1107/S2056989018011404","","","0.71073","MoKα","","0.062","0.0396","","","0.0894","0.0954","","","","","","1.046","","","","has coordinates,has Fobs","227661","2020-10-21","18:00:00",""
"2243247","7.8325","0.0007","9.3406","0.0008","8.4471","0.0007","90","","108.727","0.002","90","","585.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium phosphate heptahydrate","","- D14 K3 O11 P -","- D14 K3 O11 P -","- D28 K6 O22 P2 -","2","1","HB7876","Weil, Matthias; Stöger, Berthold","Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O","Acta Crystallographica Section E","2020","76","2","177","179","10.1107/S2056989020000201","","x-ray","0.71073","MoKα","","0.0167","0.0156","","","0.0198","0.0201","","","","1.03","1.03","1.02","","","","has coordinates,has Fobs","246742","2020-10-21","18:00:00",""
"2243251","15.5162","0.0007","6.8288","0.0003","24.5631","0.0012","90","","104.683","0.001","90","","2517.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloroform monosolvate","","- C45 H3 Br8 Cl3 F20 N4 -","- C45 H3 Br8 Cl3 F20 N4 -","- C90 H6 Br16 Cl6 F40 N8 -","2","1","TX2016","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0241","0.0204","","","0.0422","0.0433","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243254","9.655","0.002","5.882","0.0015","12.18","0.003","90","","96.275","0.003","90","","687.6","0.3","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-N-(4-methylbenzyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","WM5537","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-N-(4-methylbenzyl)benzenesulfonamide","Acta Crystallographica Section E","2020","76","2","235","238","10.1107/S2056989020000535","","","0.71073","MoKα","","0.0383","0.0349","","","0.0896","0.0921","","","","","","1.043","","","","has coordinates,has Fobs","247001","2020-10-21","18:00:00",""
"2243266","10.8054","0.0008","19.3938","0.0014","12.7467","0.001","90","","98.523","0.003","90","","2641.7","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","{4-[10,15,20-Tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","","- C50 H36 N6 O5 Zn -","- C50 H36 N6 O5 Zn -","- C100 H72 N12 O10 Zn2 -","2","1","HB7871","Carrie, Daniel; Roisnel, Thierry; Simonneaux, Gerard","Crystal structure of {4-[10,15,20-tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","Acta Crystallographica Section E","2020","76","2","273","275","10.1107/S2056989020001085","","x-ray","0.71073","MoKα","","0.0674","0.0508","","","0.1299","0.1388","","","","","","1.036","","","","has coordinates,has Fobs","247441","2020-10-21","18:00:00",""
"2243314","8.1775","0.0017","6.7722","0.0014","12.305","0.003","90","","99.664","0.003","90","","671.8","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium μ-oxido-μ-[1,5,6-trihydroxyhexane-2,3,4-tris(olato)]bis[dioxidomolybdenum(V)] monohydrate","","- C6 H17 Mo2 N O12 -","- C6 H17 Mo2 N O12 -","- C12 H34 Mo4 N2 O24 -","2","1","","Mirzaei, Masoud; Tahmasebi, Morteza; Mague, Joel T.","A redetermination of the crystal structure of the mannitol complex NH~4~[Mo~2~O~5~(C~6~H~11~O~6~)]·H~2~O: hydrogen-bonding scheme and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","4","518","522","10.1107/S2056989020002935","","","0.71073","MoKα","","0.0199","0.0187","","","0.0491","0.0495","","","","","","1.054","","","","has coordinates,has Fobs","249273","2020-10-21","18:00:00",""
"2243387","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol monosolvate","2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid ethanol monosolvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","FY2145","Gelbrich, Thomas; Kahlenberg, Volker; Adamer, Verena; Nerdinger, Sven; Griesser, Ulrich J.","Febuxostat ethanol monosolvate","Acta Crystallographica Section E","2020","76","6","816","819","10.1107/S2056989020006076","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates,has Fobs","252015","2020-10-21","18:00:00",""
"2243411","7.0008","0.0013","5.5112","0.001","18.544","0.003","90","","100.155","0.004","90","","704.3","0.2","100","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Octyloxy)hexahydrofuro[3,2-b]furan-3-ol","","- C14 H26 O4 -","- C14 H26 O4 -","- C28 H52 O8 -","2","1","ZQ2253","Geburtig, Felix; Vill, Volkmar","2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.0493","0.0422","","","0.1062","0.1099","","","","","","1.101","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243412","6.9892","0.0002","5.4888","0.0002","20.8041","0.0006","90","","91.302","0.003","90","","797.89","0.04","99.99","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Decyloxy)hexahydrofuro[3,2-b]furan-3-ol","","- C16 H30 O4 -","- C16 H30 O4 -","- C32 H60 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","1.54184","CuKα","","0.0464","0.0422","","","0.115","0.1183","","","","","","1.072","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243413","7.025","0.0005","5.4674","0.0005","23.377","0.002","90","","97.051","0.009","90","","891.08","0.13","99.8","0.4","99.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Dodecyloxy)hexahydrofuro[3,2-b]furan-3-ol","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.1043","0.0824","","","0.1887","0.2015","","","","","","1.103","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243414","7.04","0.006","5.438","0.005","25.56","0.02","90","","91.914","0.009","90","","978","1.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Tetradecyloxy)hexahydrofuro[3,2-b]furan-3-ol","","- C20 H38 O4 -","- C20 H38 O4 -","- C40 H76 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.089","0.0554","","","0.1252","0.1401","","","","","","1.038","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243466","7.4839","0.0008","14.1752","0.0014","9.6461","0.001","90","","110.537","0.003","90","","958.28","0.17","297","2","297.15","","","","","","","","","4","P 1 21 1","P 2yb","4","N-Ethyl-N-propyltryptammonium hydrofumarate","[2-(1H-Indol-3-yl)ethyl](methyl)propylazanium 3-carboxyprop-2-enoate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","DX2028","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: N-ethyl-N-propyltryptamine and N-allyl-N-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.0365","0.0339","","","0.0899","0.0929","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","253757","2020-10-21","18:00:00",""
"2243476","5.0472","0.0004","9.3118","0.0007","13.9581","0.0015","90","","99.708","0.008","90","","646.62","0.1","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[(1S)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of N-[(1S)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0857","0.0429","","","0.0911","0.1021","","","","","","0.836","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243477","8.3496","0.0006","5.2632","0.0002","14.2969","0.001","90","","99.8","0.006","90","","619.12","0.07","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[(1S)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of N-[(1S)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0519","0.0355","","","0.0834","0.0899","","","","","","0.942","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243498","7.1212","0.0014","12.711","0.003","7.6991","0.0016","90","","105.94","0.007","90","","670.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C26 H18 Cl4 N6 O4 -","2","1","VM2237","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth","(E)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","8","1291","1295","10.1107/S2056989020009433","","","0.71073","MoKα","","0.0402","0.0307","","","0.0604","0.0635","","","","","","1.107","","","","has coordinates,has Fobs","254395","2020-10-21","18:00:00",""
"2243509","7.3471","0.0008","9.9672","0.0009","10.9499","0.0011","90","","94.671","0.003","90","","799.2","0.14","303.22","","303.22","","","","","","","","","4","P 1 21 1","P 2yb","4","N-Allyl-N,N-dimethyltryptammonium iodide","2-(1H-Indol-3-yl)-N,N-dimethyl-N-(prop-2-en-1-yl)azanium iodide","","- C7.5 H10.5 I0.5 N -","- C7.5 H10.5 I0.5 N -","- C30 H42 I2 N4 -","4","2","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: N,N-dimethyl-N-n-propyltryptammonium (DMPT) iodide and N-allyl-N,N-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0287","0.0268","","","0.0696","0.0707","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","254582","2020-10-21","18:00:00",""
"2243597","5.7615","0.0004","9.7752","0.0008","10.6833","0.0009","90","","101.255","0.008","90","","590.11","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","6-Azido-6-deoxy-1,2-O-isopropylidene-α-D-glucofuranose","","- C9 H15 N3 O5 -","- C9 H15 N3 O5 -","- C18 H30 N6 O10 -","2","1","HB7940","Wood, Adam; Bernhardt, Paul V.; van Altena, Ian; Simone, Michela I.","Crystal structure of 6-azido-6-deoxy-1,2-O-isopropylidene-α-D-glucofuranose","Acta Crystallographica Section E","2020","76","10","1653","1656","10.1107/S2056989020012438","","x-ray","1.54184","CuKα","","0.0384","0.0361","","","0.0847","0.0864","","","","","","1.082","","","","has coordinates,has Fobs","256560","2020-10-21","18:00:00",""
"2243608","10.0139","0.0006","17.4327","0.001","13.0286","0.0008","90","","108.816","0.002","90","","2152.8","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Benzo[1,2-c:3,4-c':5,6-c'']trithiophene‒\ buckminsterfullerene‒toluene","","- C79 H14 S3 -","- C79 H14 S3 -","- C158 H28 S6 -","2","1","ZL2760","Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.","Crystal structures of two charge‒transfer complexes of benzo[1,2-c:3,4-c':5,6-c'']trithiophene (D~3h~-BTT)","Acta Crystallographica Section E","2019","75","10","1573","1577","10.1107/S2056989019013161","","","1.54178","CuKα","","0.0449","0.0417","","","0.1085","0.1122","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","256850","2020-10-21","18:00:00",""
"2243642","7.2948","0.0003","7.1242","0.0003","16.8297","0.0007","90","","97.644","0.003","90","","866.86","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-{3-[(4-Methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C42 H34 N6 O10 -","2","1","DJ2013","Moreno-Fuquen, Rodolfo; Hurtado-Angulo, Mario; Arango-Daraviña, Kevin; Bain, Gavin; Kennedy, Alan R.","Synthesis, crystal structure, Hirshfeld surface analysis, MEP study and molecular docking of N-{3-[(4-methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide as a promising inhibitor of hfXa","Acta Crystallographica Section E","2020","76","11","1762","1767","10.1107/S2056989020013730","","","1.54184","CuKα","","0.0508","0.0472","","","0.1213","0.1257","","","","","","1.062","","","","has coordinates,has Fobs","258590","2020-10-24","04:10:31",""
"2243658","7.479","0.001","7.065","0.001","17.788","0.003","90","","101.58","0.02","90","","920.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen (2R,3R)-tartrate 1.698-hydrate","","- C15 H25.4 N2 O8.7 -","- C15 H25.396 N2 O8.698 -","- C30 H50.792 N4 O17.396 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0664","0.0393","","","0.0732","0.081","","","","","","0.967","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:52",""
"2243721","7.9555","0.0004","13.3696","0.0007","9.9708","0.0005","90","","112.874","0.002","90","","977.12","0.09","200","2","200.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","[2-(4-Acetyloxy-1H-indol-3-yl)ethyl](methyl)ethylazanium 3-carboxyprop-2-enoate","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","HB7959","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug","Acta Crystallographica Section E","2021","77","2","101","106","10.1107/S2056989021000116","","","0.71073","MoKα","","0.0586","0.0523","","","0.1386","0.1461","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","260886","2021-01-09","06:07:15",""
"2243722","7.9702","0.0004","14.1788","0.0007","9.8035","0.0005","90","","113.394","0.002","90","","1016.8","0.09","297","2","297.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","[2-(4-Acetyloxy-1H-indol-3-yl)ethyl](methyl)prop-2-enylazanium 3-carboxyprop-2-enoate","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","HB7959","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug","Acta Crystallographica Section E","2021","77","2","101","106","10.1107/S2056989021000116","","","0.71073","MoKα","","0.0468","0.0425","","","0.1084","0.1134","","","","","","1.043","","","","has coordinates,has Fobs","260886","2021-01-09","06:07:16",""
"2243773","10.2576","0.0011","9.5127","0.001","10.5318","0.0011","90","","104.691","0.002","90","","994.07","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate","","- C20 H27 F N2 O2 -","- C20 H27 F N2 O2 -","- C40 H54 F2 N4 O4 -","2","1","ZL5007","Gumireddy, Ashwini; DeBoyace, Kevin; Rupprecht, Alexander; Gupta, Mohit; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D.","Crystal structure of tert-butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate","Acta Crystallographica Section E","2021","77","4","360","365","10.1107/S2056989021002346","","","0.71073","MoKα","","0.0577","0.0395","","","0.0975","0.1088","","","","","","1.04","","","","has coordinates,has Fobs","262794","2021-03-06","06:21:44",""
"2243791","16.1525","0.001","13.5353","0.0009","17.8572","0.0011","90","","107.359","0.002","90","","3726.3","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaquilinium maleate ethyl acetate 0.821-solvate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate ethyl acetate 0.821-solvate","","- C39.28 H41.57 Br N2 O7.64 -","- C39.282 H41.564 Br N2 O7.641 -","- C157.128 H166.256 Br4 N8 O30.564 -","4","2","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.1257","0.0618","","","0.1642","0.1999","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","263391","2021-03-27","06:13:56",""
"2243845","12.0622","0.0003","9.2715","0.0002","13.814","0.0004","90","","92.306","0.002","90","","1543.63","0.07","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cholesteryl heptanoate","Cholesteryl heptanoate","","- C34 H58 O2 -","- C34 H58 O2 -","- C68 H116 O4 -","2","1","MW2174","Akduran, Nurcan; Karakurt, Tuncay; Hökelek, Tuncer","Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate","Acta Crystallographica Section E","2021","77","7","686","691","10.1107/S2056989021005661","","","0.71073","MoKα","","0.0526","0.0458","","","0.1128","0.1175","","","","","","1.026","","","","has coordinates,has Fobs","265825","2021-06-05","05:26:39",""
"2243871","7.3633","0.0015","15.952","0.003","12.657","0.003","90","","94.14","0.03","90","","1482.8","0.5","290","1","290","1","","","","","","","","4","P 1 21 1","P 2yb","4","Physangulide B chloroform solvate","(17S,20R,22R,24R,25S)-5β,6β:20,24-Diepoxy-4β,25-dihydroxy-1-oxowith-2-en-26,22-olide chloroform solvate","","- C29 H39 Cl3 O7 -","- C29 H39 Cl3 O7 -","- C58 H78 Cl6 O14 -","2","1","","Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B.","Withanolides from Physalis angulata L.","Acta Crystallographica Section E","2021","77","8","804","808","10.1107/S205698902100709X","","","1.54184","CuKα","","0.0423","0.0416","","","0.1127","0.1134","","","","","","1.04","","","","has coordinates,has Fobs","267666","2021-07-21","05:22:49",""
"2243907","5.5366","0.0003","17.9208","0.0008","16.2085","0.0008","90","","99.173","0.002","90","","1587.65","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-1-[2,2-Dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene","","- C16 H14 Cl2 N2 O -","- C16 H14 Cl2 N2 O -","- C64 H56 Cl8 N8 O4 -","4","2","ZN2009","Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Qacar, Ayten M.; Askerov, Rizvan K.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene","Acta Crystallographica Section E","2021","77","9","965","970","10.1107/S2056989021008756","","","0.71073","MoKα","","0.1113","0.0594","","","0.1202","0.1449","","","","","","1.01","","","","has coordinates,has Fobs","268277","2021-08-28","02:08:33",""
"2243917","11.846","0.0006","15.5041","0.0007","12.6425","0.0006","90","","115.449","0.001","90","","2096.64","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hexa-μ-acetato-chlorido(μ-N,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1)","","- C34 H39 Cl Fe4 N4 O17 -","- C34 H39 Cl Fe4 N4 O17 -","- C68 H78 Cl2 Fe8 N8 O34 -","2","1","","Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.","Hexa-μ-acetato-chlorido(μ-N,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-N,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)","Acta Crystallographica Section E","2021","77","10","1003","1009","10.1107/S2056989021009208","","","0.71073","MoKα","","0.0397","0.0327","","","0.0688","0.0713","","","","","","1.059","","","","has coordinates,has disorder","271922","2022-01-06","23:33:37",""
"2243931","15.7976","0.0005","5.9184","0.0003","19.534","0.0008","90","","90.31","0.002","90","","1826.33","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Oxo-1,2-diphenylethyl diisopropylcarbamate","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","2","WM5618","Martens, Viktor; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010367","","","0.71073","MoKα","","0.0853","0.0685","","","0.1274","0.1397","","","","","","1.086","","","","has coordinates,has Fobs","269934","2021-10-14","02:25:07",""
"2243934","6.8165","0.0003","4.4676","0.0002","13.2879","0.0006","90","","95.1319","0.0016","90","","403.04","0.03","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 1,3-benzoxazole-2-carboxylate","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C18 H14 N2 O6 -","2","1","DJ2033","Poirot, Alexandre; Saffon-Merceron, Nathalie; Leygue, Nadine; Benoist, Eric; Fery-Forgues, Suzanne","Crystal structure of methyl 1,3-benzoxazole-2-carboxylate","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010094","","","0.71073","MoKα","","0.0319","0.0299","","","0.0749","0.0767","","","","","","1.1","","","","has coordinates,has Fobs","269937","2021-10-14","02:28:13",""
"2243940","13.3729","0.0009","8.9363","0.0007","16.4248","0.0016","90","","114.014","0.002","90","","1792.9","0.3","100.02","","100.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloridobis{(2S,5R)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II)","","- C32 H46 Cl4 N6 Ni2 O2 -","- C32 H46 Cl4 N6 Ni2 O2 -","- C64 H92 Cl8 N12 Ni4 O4 -","2","1","EX2048","Homrani, Yasmina; Dahdouh, Abdelaziz; El Amrani, Mohamed Amin; Loxq, Pauline; Capet, Frédéric; Suisse, Isabelle; Sauthier, Mathieu","Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010537","","","0.71073","MoKα","","0.0524","0.0434","","","0.1036","0.1088","","","","","","1.046","","","","has coordinates,has Fobs","270045","2021-10-20","02:23:26",""
"2243986","5.2717","0.0003","24.9066","0.0014","14.8628","0.0007","90","","96.214","0.004","90","","1940.02","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-{[(E)-(3-Cyclobutyl-1H-1,2,4-triazol-5-yl)imino]methyl}phenol","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C78 H84 N24 O6 -","6","3","ZV2010","Gumus, Mustafa Kemal; Sen, Fatih; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclobutyl-1H-1,2,4-triazol-5-yl)imino]methyl}phenol","Acta Crystallographica Section E","2021","77","12","1267","1271","10.1107/S2056989021011658","","","0.71073","MoKα","","0.0866","0.0577","","","0.1385","0.1532","","","","","","0.935","","","","has coordinates,has Fobs","271905","2022-01-06","23:08:50",""
"2244000","8.4627","0.0008","12.8187","0.0011","10.3926","0.0009","90","","107.033","0.003","90","","1077.95","0.17","100.01","","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-[(Benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate","","- C19 H35 N O4 S Si -","- C19 H35 N O4 S Si -","- C38 H70 N2 O8 S2 Si2 -","2","1","HB8003","Kirchhoff, Jan-Lukas; Koller, Stephan G.; Louven, Kathrin; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S205698902101361X","","x-ray","0.71073","MoKα","","0.0245","0.024","","","0.0647","0.0651","","","","","","1.051","","","","has coordinates,has Fobs","271963","2022-01-08","02:47:59",""
"2244008","8.3063","0.0004","7.5842","0.0004","13.841","0.0007","90","","104.174","0.002","90","","845.39","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Acetyl-t-3-methyl-r-2,c-6-diphenylpiperidine","1-(3-Methyl-2,6-diphenylpiperidin-1-yl)ethanone","","- C20 H23 N O -","- C20 H23 N O -","- C40 H46 N2 O2 -","2","1","JY2013","Periyannan, P.; Beemarao, M.; Karthik, K .; Ponnuswamy, S.; Ravichandran, K.","Crystal structure, DFT and Hirshfeld surface analysis of N-acetyl-t-3-methyl-r-2,c-6-diphenylpiperidine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000275","","","0.71073","MoKα","","0.0494","0.0365","","","0.0911","0.101","","","","","","1.029","","","","has coordinates,has Fobs","272051","2022-01-15","02:35:42",""
"2244096","11.2574","0.0007","8.8445","0.0005","11.9039","0.0009","90","","110.126","0.008","90","","1112.85","0.14","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","N-Benzylcinchonidinium bromide","(R)-[(2S,4S,5R)-1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol bromide","","- C26 H29 Br N2 O -","- C26 H29 Br N2 O -","- C52 H58 Br2 N4 O2 -","2","1","PK2664","Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W.","Crystal structures of anhydrous and hydrated N-benzylcinchonidinium bromide","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005096","","x-ray","0.71073","MoKα","","0.0615","0.0405","","","0.0777","0.0844","","","","","","1.012","","","","has coordinates,has Fobs","275504","2022-05-18","01:44:56",""
"2244111","8.5167","0.0004","7.8697","0.0004","13.1617","0.0007","90","","94.89","0.005","90","","878.94","0.08","298","0.4","298","0.4","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloridobis(quinoline N-oxide-κO)zinc(II)","","- C18 H14 Cl2 N2 O2 Zn -","- C18 H14 Cl2 N2 O2 Zn -","- C36 H28 Cl4 N4 O4 Zn2 -","2","1","ZV2014","Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree","Crystal structures of three zinc(II) halide coordination complexes with quinoline N-oxide","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005953","","x-ray","0.71073","MoKα","","0.0693","0.044","","","0.067","0.0773","","","","","","1.029","","","","has coordinates,has Fobs","275969","2022-06-11","01:50:28",""
"2244171","8.325","0.001","10.949","0.002","18.418","0.004","90","","92.67","0.02","90","","1677","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-Phenylpiperazin-1-ium p-toluenesulfonate","4-Phenylpiperazin-1-ium 4-methylbenzenesulfonate","","- C17 H22 N2 O3 S -","- C17 H22 N2 O3 S -","- C68 H88 N8 O12 S4 -","4","2","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.1952","0.1257","","","0.2587","0.2975","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","279115","2022-11-08","19:41:03",""
"2244179","7.5162","0.0003","6.1125","0.0002","15.7249","0.0005","90","","98.625","0.001","90","","714.28","0.04","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Bromobenzoyl)-4-phenylpiperazine","","- C17 H17 Br N2 O -","- C17 H17 Br N2 O -","- C34 H34 Br2 N4 O2 -","2","1","TX2058","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009008","","","0.71073","MoKα","","0.0266","0.0225","","","0.0479","0.0491","","","","","","1.044","","","","has coordinates,has Fobs","278105","2022-09-23","02:11:12",""
"2244186","7.3802","0.0003","8.2491","0.0003","14.5953","0.0005","90","","97.852","0.001","90","","880.23","0.06","100","","100.03","","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloridobis(2-methylbenzamide-κO)zinc(II)","","- C16 H18 Cl2 N2 O2 Zn -","- C16 H18 Cl2 N2 O2 Zn -","- C32 H36 Cl4 N4 O4 Zn2 -","2","1","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.019","0.0179","","","0.0384","0.0386","","","","","","1.001","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2244211","16.1906","0.001","7.5752","0.0004","17.7591","0.0009","90","","95.36","0.007","90","","2168.6","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 4-[(4-methylbenzyl)oxy]benzoate","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","3","WM5660","Banna, Md. Hasan Al; Ansary, Md. Rezaul Haque; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio","Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate","Acta Crystallographica Section E","2022","78","10","1077","1080","10.1107/S2056989022009380","","","0.71075","MoKα","","0.0804","0.0506","","","0.1118","0.1254","","","","","","0.971","","","","has coordinates,has disorder,has Fobs","279110","2022-11-08","19:24:44",""
"2244234","11.04","0.002","6.2621","0.0013","12.424","0.003","90","","94.03","0.03","90","","856.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(7R,9R)-N-[(3-nitrophenyl)sulfonyl]cytisine","(1R,5R)-3-((3-nitrophenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","","- C17 H17 N3 O5 S -","- C17 H17 N3 O5 S -","- C34 H34 N6 O10 S2 -","2","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of N-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0404","0.0394","","","0.112","0.1136","","","","","","1.043","","","","has coordinates,has Fobs","283593","2023-05-06","10:48:19",""
"2300043","11.72","0.006","6.831","0.004","11.045","0.006","90","","94.38","0.02","90","","881.7","0.8","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-dinitro-N-phenyl-6-(phenyldiazenyl)-benzamide","","- C19 H13 N5 O5 -","- C19 H13 N5 O5 -","- C38 H26 N10 O10 -","2","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A.","Unexpected molecular structure from laboratory powder diffraction data","Journal of Applied Crystallography","2002","35","6","669","673","10.1107/S0021889802014012","","","1.5418","CuKα","","","","","","","","","","4.04","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300209","5.857","0.004","24.105","0.003","14.069","0.004","90","","93.15","0.04","90","","1983.3","1.5","294","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H42 Fe O12 -","- C46 H42 Fe O12 -","- C92 H84 Fe2 O24 -","2","1","DD5042","Okabe, Takashi; Nakazaki, Keisuke; Igaue, Tsuyoshi; Nakamura, Naotake; Donnio, Bertrand; Guillon, Daniel; Gallani, Jean-Louis","Synthesis and physical properties of ferrocene derivatives. XXI. Crystal structure of a liquid crystalline ferrocene derivative, 1,1'-bis[3-[4-(4-methoxyphenoxycarbonyl)phenoxy]propyloxycarbonyl]ferrocene","Journal of Applied Crystallography","2009","42","1","63","68","10.1107/S0021889808042039","","","1.54178","CuKα","","","0.0382","","","","0.0983","","","","","","1.052","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300264","7.7735","0.0012","8.7169","0.0013","10.8765","0.0017","90","","102.936","0.004","90","","718.3","0.19","293.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Kimura, Fumiko; Kimura, Tsunehisa; Oshima, Wataru; Maeyama, Masataka; Aburaya, Kazuaki","X-ray diffraction study of a pseudo single crystal prepared from a crystal belonging to point group 2","Journal of Applied Crystallography","2010","43","1","151","153","10.1107/S0021889809048006","","","0.71075","MoKα","","","0.0788","","","","0.1725","","","","","","1.009","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300342","5.6095","0.001","7.3299","0.0015","12.491","0.002","90","","93.297","0.005","90","","512.74","0.16","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O3 S -","- C7 H12 N4 O3 S -","- C14 H24 N8 O6 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0337","0.0305","","","0.0704","0.0725","","","","","","1.134","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300344","5.6245","0.0017","7.354","0.003","12.521","0.005","90","","93.445","0.013","90","","517","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O3 S -","- C7 H12 N4 O3 S -","- C14 H24 N8 O6 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0614","0.0458","","","0.085","0.092","","","","","","0.999","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300345","5.6245","0.0017","7.354","0.003","12.521","0.005","90","","93.445","0.013","90","","517","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O S -","- C7 H6 N3 O4 S -","- C14 H12 N6 O8 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.1073","0.0865","","","0.2132","0.228","","","","","","0.993","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300456","7.77208","0.00038","21.58192","0.00017","4.8172","0.00031","90","","74.0609","0.0012","90","","776.95","0.06","298","","298","","","","","","","","Sigma","3","P 1 21 1","P 2yb","4","Lactose monohydrate","/b-D-galactopyranosyl-(1,4)-D-glucose monhydrate","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.105","24","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300557","7.763","0.0001","8.7109","0.0001","10.8701","0.0001","90","","102.937","0.001","90","","716.407","0.014","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","sucrose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Dmitrienko, Artem O.; Bushmarinov, Ivan S.","Reliable structural data from Rietveld refinements via restraint consistency","Journal of Applied Crystallography","2015","48","6","","","10.1107/S1600576715018233","","x-ray","0.71073","MoKα","","0.0823","0.0411","","","0.092","0.11","","","","","","0.971","","","","has coordinates,has Fobs","169912","2020-10-21","18:00:00",""
"2300646","6.4213","0.0002","6.3622","0.0002","17.1606","0.0006","90","","99.355","0.003","90","","691.75","0.04","292.36","","292.36","","","","","","","","","3","P 1 21 1","P 2yb","4","Vitamin C","L-ascorbic acid","","- C6 H8 O6 -","- C6 H8 O6 -","- C24 H32 O24 -","4","2","","McMonagle, Charles James; Probert, Michael Richard","Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials","Journal of Applied Crystallography","2019","52","2","445","450","10.1107/S1600576719003078","","x-ray","0.71073","MoKα","","0.0679","0.0413","","","0.0779","0.0883","","","","","","0.995","","","","has coordinates,has Fobs","214447","2020-10-21","18:00:00",""
"2300647","6.4196","0.0002","6.3619","0.0003","17.1568","0.0006","90","","99.356","0.003","90","","691.38","0.05","292.36","","292.36","","","","","","","","","3","P 1 21 1","P 2yb","4","Vitamin C","L-ascorbic acid","","- C6 H8 O6 -","- C6 H8 O6 -","- C24 H32 O24 -","4","2","","McMonagle, Charles James; Probert, Michael Richard","Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials","Journal of Applied Crystallography","2019","52","2","445","450","10.1107/S1600576719003078","","x-ray","0.71073","MoKα","","0.0883","0.0436","","","0.0714","0.0828","","","","","","0.96","","","","has coordinates,has Fobs","214447","2020-10-21","18:00:00",""
"2300648","6.4259","0.0012","6.3637","0.0012","17.168","0.004","90","","99.368","0.015","90","","692.7","0.2","292","2","292.36","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O6 -","- C6 H8 O6 -","- C24 H32 O24 -","4","2","","McMonagle, Charles James; Probert, Michael Richard","Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials","Journal of Applied Crystallography","2019","52","2","445","450","10.1107/S1600576719003078","","x-ray","0.71073","MoKα","","0.0953","0.0623","","","0.1491","0.1692","","","","","","1.031","","","","has coordinates,has Fobs","214447","2020-10-21","18:00:00",""
"2300677","10.224","0.006","4.804","0.003","11.987","0.007","90","","101.419","0.013","90","","577.1","0.6","92","2","92","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Alanyl-glycyl-L-alanine","","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","","0.6214","synchrotron","","0.0326","0.0326","","0.0243","0.0243","0.1025","","","2.4093","2.4093","2.4093","1.02","","","","has coordinates,has disorder","264618","2021-04-28","05:23:58",""
"2300684","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.141","0.1333","","","0.2674","0.2733","","","","","","1.41","","","","has coordinates","269432","2021-10-01","11:03:55",""
"2300685","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1409","0.1332","","","0.267","0.2729","","","","","","1.393","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300686","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1408","0.1332","","","0.2668","0.2727","","","","","","1.392","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300687","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1345","0.126","","","0.2553","0.2619","","","","","","1.337","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300688","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1353","0.1268","","","0.2553","0.2619","","","","","","1.336","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2310143","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","KX5029","Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon","Hirshfeld atom refinement for modelling strong hydrogen bonds","Acta Crystallographica Section A","2014","70","5","483","498","10.1107/S2053273314012443","","","0.354","synchrotron","","","0.0201","","","0.0211","","","","","","","0.86","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2310144","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","KX5029","Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon","Hirshfeld atom refinement for modelling strong hydrogen bonds","Acta Crystallographica Section A","2014","70","5","483","498","10.1107/S2053273314012443","","","0.85","neutron","","","0.0294","","","","0.029","","","","","","0.9996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2310151","34.966","0.003","14.8683","0.0014","66.99","0.006","90","","104.191","0.001","90","","33764","5","100","2","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C411.01 H417.06 Cl1.65 I47.98 N96 O20.41 Zn23.99 -","- C410.998 H417.038 Cl1.65 I47.954 N96 O20.408 Zn23.977 -","- C821.996 H834.076 Cl3.3 I95.908 N192 O40.816 Zn47.954 -","2","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41347","synchrotron","","0.0825","0.0619","","","0.175","0.1909","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310373","10.34","","14.33","","3.91","","90","","99.03","","90","","572.173","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","U O3","","- O3 U -","- O3 U -","- O30 U10 -","10","5","","Debets, P.C.","The Structure of beta - U O3","Acta Crystallographica (1,1948-23,1967)","1966","21","","589","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310412","11.57","","5.96","","6.39","","90","","102.1","","90","","430.847","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 (H2 Si O4) (H2 O)5","","- H12 Na2 O9 Si -","- Na2 O9 Si -","- Na4 O18 Si2 -","2","1","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1967","22","","507","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310413","11.51","","6.15","","6.36","","90","","102.1","","90","","440.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 H2 Ge O4 (H2 O)5","","- Ge H12 Na2 O9 -","- Ge Na2 O9 -","- Ge2 Na4 O18 -","2","1","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1967","22","","507","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310470","5.7278","","5.9583","","8.3008","","90","","90.573","","90","","283.275","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ca3 (U O6)","","- Ca3 O6 U -","- Ca3 O6 U -","- Ca6 O12 U2 -","2","1","","Rietveld, H.M.","The crystal structure of some alkaline earth metal uranates of the type M3 U O6","Acta Crystallographica (1,1948-23,1967)","1966","20","","508","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310471","5.959","","6.179","","8.553","","90","","90.19","","90","","314.925","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Sr3 U O6","","- O6 Sr3 U -","- O6 Sr3 U -","- O12 Sr6 U2 -","2","1","","Rietveld, H.M.","The Crystal Structure of some Alkaline Earth Metal Uranates of the Type M3 U O6","Acta Crystallographica (1,1948-23,1967)","1966","20","","508","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310477","9.87","","14.14","","8.72","","90","","124.83","","90","","998.957","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ba2 Al4 Si12 O32 (H2 O)12","","- Al4 Ba2 H24 O44 Si12 -","- Al4 Ba2 O44 Si12 -","- Al4 Ba2 O44 Si12 -","1","0.5","","Sadanaga, R.; Takeuchi, Y.; Marumo, F.","The crystal structure of harmotome, Ba2 Si12 Al4 O32 (H2 O)12","Acta Crystallographica (1,1948-23,1967)","1961","14","","1153","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310766","12.372","0.0002","3.7649","0.0005","16.831","0.002","90","","107.789","0.007","90","","746.49","0.14","139","","139","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","DK5030","Noohinejad, Leila; Mondal, Swastik; Ali, Sk Imran; Dey, Somnath; van Smaalen, Sander; Schönleber, Andreas","Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chloranilic acid","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","228","234","10.1107/S2052520615004084","","x-ray","0.56","synchrotron","","0.072","0.0449","","","0.0677","0.0713","","","","2.78","2.78","2.08","","","","has coordinates","201409","2020-10-21","18:00:00",""
"2310997","6.92","","11.02","","6.11","","90","","99.1","","90","","460.074","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(I Cl2) (Al Cl4)","","- Al Cl6 I -","- Al Cl6 I -","- Al2 Cl12 I2 -","2","1","","Vonk, C.G.; Wiebenga, E.H.","The crystal structure of I Sb Cl8 and I Al Cl6","Acta Crystallographica (1,1948-23,1967)","1959","12","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311117","11.79596","0.00009","9.17559","0.00007","16.75788","0.00013","90","","92.2372","0.0007","90","","1812.4","0.02","123","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","2","HB7006","Kaur, Manpreet; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Nagaraj, B.","9-[3-(Dimethyl-amino)-prop-yl]-10,10-dimethyl-9,10-dihydro-anthracen-9-ol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o175","","10.1107/S1600536812050088","","","1.54184","CuKα","","0.0337","0.0335","","","0.0909","0.0911","","","","","","1.057","","","","has coordinates","245589","2020-10-21","18:00:00",""
"2311135","9.4059","0.0008","6.5009","0.0005","12.4919","0.001","90","","105.914","0.009","90","","734.57","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5198","Akkurt, Mehmet; Kennedy, Alan R.; Mohamed, Shaaban Kamel; Younes, Sabry H. H.; Miller, Gary J.","3-Amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o401","","10.1107/S1600536813004376","","","0.71073","MoKα","","0.0504","0.0421","","","0.0847","0.0907","","","","","","1.058","","","","has coordinates","245607","2020-10-21","18:00:00",""
"2311159","8.984","0.004","6.056","0.003","15.248","0.006","90","","95.357","0.006","90","","826","0.6","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1,3-Benzodioxol-5-yl)-3-phenylquinazolin-4(3H)-one","","- C21 H14 N2 O3 -","- C21 H14 N2 O3 -","- C42 H28 N4 O6 -","2","1","FK2072","Chandra, ?; Raghavendra, G. M.; Jeyaseelan, S.; Mantelingu, K.; Mahendra, M.","2-(1,3-Benzodioxol-5-yl)-3-phenyl-quinazolin-4(3H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1113","","10.1107/S1600536813016346","","","0.71073","MoKα","","0.0497","0.0401","","","0.0947","0.1006","","","","","","1.042","","","","has coordinates","245631","2020-10-21","18:00:00",""
"2311188","11.0031","0.0003","12.5937","0.0003","13.0787","0.0003","90","","100.255","0.002","90","","1783.36","0.08","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Chloro-3-[(dimethylamino)methylidene]thiochroman-4-one","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C72 H72 Cl6 N6 O6 S6 -","6","3","PV2641","Khan, Ashraf Y.; Fathima, Nikhath; Kalashetti, Mallikarjun B.; Begum, Noor Shahina; Khazi, I. M.","6-Chloro-3-[(di-methyl-amino)-methyl-idene]thio-chroman-4-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1521","","10.1107/S1600536813024550","","","0.71073","MoKα","","0.0506","0.0385","","","0.0808","0.0874","","","","","","1.011","","","","has coordinates","245660","2020-10-21","18:00:00",""
"2311232","6.5703","0.0002","8.6166","0.0002","16.3411","0.0004","90","","98.685","0.0009","90","","914.52","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N'-[(E)-2-Chlorobenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H19 Cl N2 O2 -","- C21 H19 Cl N2 O2 -","- C42 H38 Cl2 N4 O4 -","2","1","SJ5398","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","N'-[(E)-2-Chloro-benzyl-idene]-2-(6-meth-oxy-naphthalen-2-yl)propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o631","2","10.1107/S1600536814008629","","","1.54178","CuKα","","0.0276","0.026","","","0.0625","0.0635","","","","","","1.053","","","","has coordinates","245705","2020-10-21","18:00:00",""
"2311264","8.529","0.002","12.793","0.003","12.018","0.003","90","","94.386","0.011","90","","1307.5","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0288","0.0285","","","0.0712","0.0716","","","","","","1.056","","","","has coordinates","245740","2020-10-21","18:00:00",""
"2311270","11.375","0.003","10.878","0.003","19.501","0.003","90","","104.237","0.011","90","","2338.9","1","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H48 -","- C27 H48 -","- C108 H192 -","4","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0286","0.0285","","","0.0743","0.0744","","","","","","1.068","","","","has coordinates","245746","2020-10-21","18:00:00",""
"2311286","10.056","0.007","6.172","0.003","12.751","0.006","90","","99.641","0.017","90","","780.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C40 H26 Cl2 N4 O2 -","2","1","SJ5465","Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-chloro-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o481","2","10.1107/S2056989015011159","","","1.54178","CuKα","","0.028","0.0276","","","0.0748","0.075","","","","","","1.06","","","","has coordinates","245759","2020-10-21","18:00:00",""
"2311287","9.1662","0.0001","5.7246","0.0001","13.9177","0.0002","90","","90.153","0.001","90","","730.298","0.018","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-4-phenyl-4H-benzo[h]chromene-3-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5369","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o516","7","10.1107/S2056989015011536","","","1.54178","CuKα","","0.0329","0.0314","","","0.0926","0.0928","","","","","","1.092","","","","has coordinates","245760","2020-10-21","18:00:00",""
"2311315","19.4338","0.0006","14.2147","0.0003","20.8631","0.0006","90","","103.184","0.003","90","","5611.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","25-Benzoylmethoxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene‒tetraethylammonium chloride (1/1)","","- C56 H74 Cl N O5 S4 -","- C56 H74 Cl N O5 S4 -","- C224 H296 Cl4 N4 O20 S16 -","4","2","XU5871","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of the inclusion complex 25-benzo-ylmeth-oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy-droxy-2,8,14,20-tetra-thia-calix[4]arene-tetra-ethyl-ammonium chloride (1/1).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o830","1","10.1107/S2056989015018617","","","0.71073","MoKα","","0.1189","0.0789","","","0.2023","0.241","","","","","","1.05","","","","has coordinates","245786","2020-10-21","18:00:00",""
"2311362","7.4441","0.0015","14.625","0.003","14.074","0.003","90","","99.693","0.003","90","","1510.4","0.5","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(μ-2-methylbenzenethiolato-κ^2^S:S)bis[methyl(2-methylbenzenethiolato-κS)indium(III)]","","- C30 H34 In2 S4 -","- C30 H34 In2 S4 -","- C60 H68 In4 S8 -","2","1","LH5837","Briand, Glen G.; Decken, Andreas; Dickie, Courtney M.; MacNeil, Gregory","Synthesis and crystal structure of bis-(μ-2-methyl-benzene-thiol-ato-κ2S:S)bis-[meth-yl(2-methyl-benzene-thiol-ato-κS)indium(III)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","481","483","10.1107/S2056989017003498","","","0.71073","MoKα","","0.0504","0.0344","","","0.0673","0.0739","","","","","","1.041","","","","has coordinates","245826","2020-10-21","18:00:00",""
"2311363","9.5842","0.0015","11.0788","0.0016","12.989","0.002","90","","100.014","0.004","90","","1358.2","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-\ κ^3^N:S,S']cadmium(II)] 3-methylpyridine monosolvate]","","- C24 H29 Cd N5 S4 -","- C24 H29 Cd N5 S4 -","- C48 H58 Cd2 N10 S8 -","2","1","HB7664","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","A two-dimensional coordination polymer: poly[[bis-[μ2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","488","492","10.1107/S2056989017003516","","","0.71069","MoKα","","0.0374","0.0371","","","0.0905","0.0907","","","","","","1.075","","","","has coordinates","245827","2020-10-21","18:00:00",""
"2311383","11.4866","0.0003","9.4448","0.0002","16.8257","0.0005","90","","109.227","0.003","90","","1723.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4aS,8aS)-2-[(2R,3S)-3-Benzamido-2-benzoyloxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide","","- C38 H47 N3 O4 -","- C38 H47 N3 O4 -","- C76 H94 N6 O8 -","2","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.0671","0.0558","","","0.1414","0.1506","","","","","","1.068","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311386","11.837","0.004","23.126","0.007","17.836","0.005","90","","94.165","0.01","90","","4870","3","120","2","120.03","","","","","","","","","8","P 1 21 1","P 2yb","4","","{(R)-N^2^-[(Benzo[h]quinolin-2-yl)methyl]-N^2'^-[(benzo[h]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^N,N',N'',N'''}(trifluoromethanesulfonato-κO)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate","","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C206 H140 Cl12 F24 N16 O24 S8 Zn4 -","4","2","IM2476","Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of {(R)-N2-[(benzo[h]quinolin-2-yl)meth-yl]-N2'-[(benzo[h]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ4N,N',N'',N'''}(trifluoromethane-sulfonato-κO)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","949","953","10.1107/S2056989017008027","","","0.71073","MoKα","","0.0488","0.0387","","","0.0862","0.0917","","","","","","1.026","","","","has coordinates,has disorder","245842","2020-10-21","18:00:00",""
"2311503","8.5922","0.0003","9.1285","0.0003","21.5629","0.0006","90","","96.754","0.001","90","","1679.53","0.09","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[bis{μ~2~-1-[2-(cyclohexylsulfanyl)ethyl]pyridin-2(1H)-one}tetra-μ~3~-iodidotetracopper(I)]","","- C26 H38 Cu4 I4 N2 O2 S2 -","- C26 H38 Cu4 I4 N2 O2 S2 -","- C52 H76 Cu8 I8 N4 O4 S4 -","2","1","","Park, Hyunjin; Kim, Jineun; Im, Hansu; Kim, Tae Ho","A two-dimensional copper(I) coordination polymer based on 1-[2-(cyclo-hexyl-sulfan-yl)eth-yl]pyridin-2(1H)-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1782","1785","10.1107/S2056989017015377","","","0.71073","MoKα","","0.0323","0.0313","","","0.0714","0.0722","","","","","","1.101","","","","has coordinates","245938","2020-10-21","18:00:00",""
"2311510","18.31","0.008","5.2661","0.001","9.2792","0.001","90","","96.07","0.004","90","","889.7","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,2R)-(+)-2-Amino-1,2-diphenylethanol, L-(S)-Aspartic acid, monohydrate","(1S,2R)-2-Hydroxy-1,2-diphenylethan-1-aminium (S)-2-azaniumylbutanedioate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","SU5398","Fujii, Isao","Crystal structure of (1S,2R)-2-hy-droxy-1,2-di-phenyl-ethan-1-aminium (S)-2-aza-niumyl-butane-dioate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1827","1830","10.1107/S2056989017015729","","","1.54178","CuKα","","0.0316","0.0282","","","0.0759","0.0788","","","","","","1.059","","","","has coordinates","245945","2020-10-21","18:00:00",""
"2311530","12.8126","0.0007","7.0224","0.0003","12.8169","0.0006","90","","117.207","0.003","90","","1025.61","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(1E)-({1-(3-Chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C46 H42 Cl2 N4 O4 -","2","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1E)-({1-(4-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.1121","0.0439","","","0.0717","0.0873","","","","","","0.982","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311548","6.689","0.005","13.809","0.005","10.62","0.005","90","","101.271","0.005","90","","962","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride","","","- C15 H14 Cl5 N3 Ni -","- C15 H14 Cl5 N3 Ni -","- C30 H28 Cl10 N6 Ni2 -","2","1","ZS2392","Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude","Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1937","1941","10.1107/S2056989017016784","","","0.71073","MoKα","","0.0899","0.0585","","","0.1309","0.1495","","","","","","1.148","","","","has coordinates","245973","2020-10-21","18:00:00",""
"2311583","6.7083","0.0004","7.2414","0.0005","17.2768","0.0013","90","","92.153","0.006","90","","838.67","0.1","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","trans-Aqua[N,N'-bis(salicylidene)ethane-1,2-diamine-κ^4^O,N,N',O']chloridomanganese(III) monohydrate","trans-Aquachlorido{2,2'[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^O,N,N',O'}manganese(III) monohydrate","","- C16 H18 Cl Mn N2 O4 -","- C16 H18 Cl Mn N2 O4 -","- C32 H36 Cl2 Mn2 N4 O8 -","2","1","VN2136","Reyes Perea, Juan Alberto; Bernès, Sylvain; Quintero Téllez, Ma Guadalupe","Packing polymorphism in the structure of trans-aqua-[N,N'-bis-(salicyl-idene)ethane-1,2-di-amine-κ4O,N,N',O']chlorido-manganese(III) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 12","1778","1782","10.1107/S2056989018015694","","x-ray","0.71073","MoKα","","0.0447","0.0368","","","0.0672","0.0721","","","","","","1.063","","","","has coordinates","246002","2020-10-21","18:00:00",""
"2311587","9.0259","0.0006","14.7314","0.0011","11.1993","0.0008","90","","101.943","0.006","90","","1456.87","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium) fumarate","","- C26 H40 N4 O4 S2 -","- C26 H40 N4 O4 S2 -","- C52 H80 N8 O8 S4 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.1297","0.0624","","","0.1099","0.1275","","","","","","1.002","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311588","8.9437","0.0003","14.7253","0.0004","11.2676","0.0004","90","","100.493","0.003","90","","1459.11","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium) succinate‒2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium hydrogen succinate 4,4,7,7-tetramethyl-3a,5,6,7a-tetrahydrobenzothiazol-2-ylamine (1/1)","","- C26 H42 N4 O4 S2 -","- C26 H42 N4 O4 S2 -","- C52 H84 N8 O8 S4 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0466","0.0391","","","0.0906","0.0939","","","","","","1.041","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311617","9.155","0.002","8.913","0.001","8.806","0.002","90","","111.35","0.02","90","","669.2","0.2","294","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.71073","MoKα","","","0.023","","","","0.063","","","","","","0.75","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311618","9.084","0.003","8.913","0.001","8.786","0.002","90","","111.03","0.02","90","","664","0.3","120","5","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.71073","MoKα","","","0.018","","","","0.032","","","","","","0.86","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311619","9.15","0.01","8.91","0.01","8.81","0.01","90","","111.4","0.5","90","","669","3","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.8308","neutrons","","","0.028","","","","0.058","","","","","","1.061","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311620","9.037","0.006","8.906","0.005","8.759","0.005","90","","110.93","0.09","90","","658.4","0.8","120","5","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.8308","neutrons","","","0.035","","","","0.076","","","","","","1.813","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311629","11.783","0.002","8.5387","0.0017","19.297","0.004","90","","96.03","0.03","90","","1930.8","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O6 -","- C19 H20 Cl N O6 -","- C76 H80 Cl4 N4 O24 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.0596","0.0556","","","0.145","0.152","","","","","","1.121","","","","has coordinates","246065","2020-10-21","18:00:00",""
"2311637","5.7797","0.0005","6.7414","0.0004","15.0259","0.0012","90","","92.359","0.004","90","","584.96","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","'2-(1-(p-tolyl)-1H-1,2,3-triazol-4-yl)pyridine'","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","1","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71073","MoKα","","0.0716","0.0482","","","0.113","0.1244","","","","","","1.038","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311662","9.464","0.002","20.64","0.003","19.219","0.003","90","","103.93","0.02","90","","3643.8","1.1","130","1","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","4","","Kaczmarek, Małgorzata T; Kubicki, Maciej","The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","792","800","10.1107/S2052520614015078","","","1.54178","CuKα","","0.0832","0.063","","","0.1677","0.1884","","","","","","1.02","","","","has coordinates","246072","2020-10-21","18:00:00",""
"2311686","9.6697","0.0016","5.2749","0.0009","12.063","0.002","90","","90.803","0.014","90","","615.23","0.18","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valine","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","XK5024","Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena","Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 1","160","163","10.1107/S2052520615021022","","","0.71073","MoKα","","0.0912","0.037","","","0.061","0.0708","","","","","","0.783","","","","has coordinates","246083","2020-10-21","18:00:00",""
"2311687","5.7793","0.0008","7.5974","0.0011","12.9136","0.0017","90","","93.13","0.01","90","","566.16","0.14","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valinium maleate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","XK5024","Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena","Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 1","160","163","10.1107/S2052520615021022","","","0.71073","MoKα","","0.1017","0.0399","","","0.0543","0.0647","","","","","","0.769","","","","has coordinates","246083","2020-10-21","18:00:00",""
"2311826","11.8441","0.0007","4.7288","0.0003","13.0981","0.0007","90","","101.31","0.006","90","","719.36","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C30 H24 Cl6 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.069","0.0581","","","0.1433","0.155","","","","","","1.067","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311842","8.9698","0.0004","12.4288","0.0005","20.3978","0.0008","90","","90.7276","0.0017","90","","2273.84","0.16","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[μ-1,3-bis(3-tert-butylimidazolin-2-yliden-1-yl)pyridine]-1κ^4^C^2^,N:N,C^2'^;2κ^4^C^2^,N:N,C^2'^-dicopper(I) bis(hexafluoridophosphate)","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","1","FP3013","Riener, Korbinian; Pöthig, Alexander; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","Structure and spectroscopic properties of the dimeric copper(I) N-heterocyclic carbene complex [Cu₂(CNC(t-Bu))₂](PF₆)₂.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 8","643","646","10.1107/S2053229615012140","","","0.71073","MoKα","","0.0202","0.0192","","","0.0487","0.0491","","","","","","1.027","","","","has coordinates","246133","2020-10-21","18:00:00",""
"2311850","11.9879","0.0004","19.1972","0.0006","17.072","0.0006","90","","90.542","0.003","90","","3928.7","0.2","175","","175","","","","","","","","","5","P 1 21 1","P 2yb","4","","rac-N-tert-Butyl-N',N''-dicyclohexyl-N''-methylphosphoric triamide","","- C17 H36 N3 O P -","- C17 H36 N3 O P -","- C136 H288 N24 O8 P8 -","8","4","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.1133","0.096","","0.1199","0.1131","0.1184","","","","","","1.0883","","","","has coordinates,has disorder","246139","2020-10-21","18:00:00",""
"2311914","8.4533","0.0002","10.238","0.0003","10.2552","0.0002","90","","107.881","0.001","90","","844.66","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","CU3117","Maia, Angélica Faleiros da Silva; Martins, Felipe T.; Silva Neto, Leonardo da; Alves, Rosemeire Brondi; De Fátima, Ângelo","Cocaethylene, the in vivo product of cocaine and ethanol, is a narcotic more potent than its precursors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","780","783","10.1107/S2053229617012852","","","1.54178","CuKα","","0.0374","0.0358","","","","0.1011","","","","","","1.027","","","","has coordinates","246165","2020-10-21","18:00:00",""
"2311949","7.244","0.0003","17.1615","0.0005","7.2706","0.0002","90","","98.806","0.002","90","","893.21","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","","- C18 H23 N O8 -","- C18 H23 N O8 -","- C36 H46 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0508","0.04","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311962","3.72856","0.00013","18.8381","0.0004","9.1981","0.0002","90","","101.337","0.003","90","","633.46","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~2~-2,2'-bipyridyl-κ^3^N,N':N)di-μ~3~-cyanido-κ^6^C:N:N-gold(I)potassium(I)]","","- C12 H8 Au K N4 -","- C12 H8 Au K N4 -","- C24 H16 Au2 K2 N8 -","2","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0168","0.0153","","","0.029","0.0296","","","","","","1.056","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311985","7.7528","0.0002","14.5978","0.0005","14.4806","0.0004","90","","102.552","0.003","90","","1599.66","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)2H]+·[AuI2]- and of two polymorphs of [(3,4-lut)2H+]2·[AuI2]-·I.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0343","0.0265","","","0.0458","0.0482","","","","","","1.034","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2312016","5.4475","0.0005","22.545","0.002","5.5411","0.0005","90","","95.446","0.002","90","","677.45","0.11","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","Silver(I) L-valine","catena-Poly[silver(I)-μ-L-valinato-κ^2^N:O]","","- C5 H10 Ag N O2 -","- C5 H10 Ag N O2 -","- C20 H40 Ag4 N4 O8 -","4","2","IS5463","Takagi, Yoshitaka; Okamoto, Youhei; Inoue, Chisato; Kasuga, Noriko Chikaraishi; Nomiya, Kenji","Crystal structure of catena-poly[silver(I)-μ-l-valinato-κ2N:O].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","354","357","10.1107/S2056989017001815","","","0.71073","MoKα","","0.0222","0.022","","","0.0539","0.054","","","","","","1.154","","","","has coordinates","246243","2020-10-21","18:00:00",""
"2312143","12.0206","0.0003","5.09502","0.0001","10.8527","0.0003","90","","107.01","0.003","90","","635.6","0.03","293","2","293","2","","","","","","","","12","P 1 21 1","P 2yb","4","","","","- C0.1 H1.92 Al2.14 Ca2.48 K0.49 Mg0.04 Na0.21 O15.62 P0.2 S0.7 Si2.86 Sr0.06 -","- Al2 Ca2.693 K0.281 Na0.247 O15.616 S0.897 Si3 Sr0.06 -","- Al4 Ca5.386 K0.562 Na0.494 O31.232 S1.794 Si6 Sr0.12 -","2","1","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.0192","0.0189","","","0.0508","0.051","","","","","","1.061","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"2312162","12.0078","0.0007","9.262","0.0006","12.1411","0.0008","90","","104.091","0.0014","90","","1309.66","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (E)-3-{(1R,4S)-8-hydroxy-6-methoxy-4,7-dimethyl-5-[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}acrylate","","- C26 H42 O5 Si -","- C26 H42 O5 Si -","- C52 H84 O10 Si2 -","2","1","VM2277","Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin","Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","177","181","10.1107/S2056989023001226","","","0.71073","MoKα","","0.0398","0.0346","","","0.0858","0.0884","","","","","","1.039","","","","has coordinates,has Fobs","285620","2023-08-11","01:55:13",""
"2312286","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.2193","0.1794","","","0.3103","0.3191","","","","5.3355","5.3355","4.4134","","","","has coordinates","286386","2023-09-18","11:42:45",""
"2312287","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.2336","0.1911","","","0.3079","0.4071","","","","5.0258","5.0258","5.4616","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312288","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.2145","0.1882","","","0.4005","0.426","","","","2.2218","2.2218","2.0258","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312289","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.212","0.1901","","","0.389","0.4097","","","","2.5278","2.5278","2.3603","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312290","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.211","0.1902","","","0.3933","0.4139","","","","2.4974","2.4974","2.3539","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312318","12.4202","0.0003","3.7916","0.0001","16.915","0.004","90","","107.792","0.008","90","","758.47","0.18","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","","Anil Kumar, G. N.; Hathwar, Venkatesha R.","Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007862","","","0.2496","Synchrotron,monochromatic","","0.025","0.025","","","","0.034","","","","","","0.897","","","","has coordinates,has Fobs","286957","2023-10-13","02:19:10",""
"2312347","10.0732","0.0003","10.0051","0.0002","14.7474","0.0004","90","","109.945","0.003","90","","1397.15","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Triphenylacetyl-L-tyrosine chloroform monosolvate","","- C30 H26 Cl3 N O4 -","- C30 H26 Cl3 N O4 -","- C60 H52 Cl6 N2 O8 -","2","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0487","0.0483","","","0.1287","0.1293","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","287487","2023-11-08","03:10:51",""
"2312348","10.04475","0.00013","9.82563","0.00012","14.59465","0.00018","90","","108.742","0.0013","90","","1364.05","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Triphenylacetyl-L-tyrosine dichloromethane monosolvate","","- C30 H27 Cl2 N O4 -","- C30 H27 Cl2 N O4 -","- C60 H54 Cl4 N2 O8 -","2","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0395","0.0351","","","0.0929","0.0951","","","","","","1.051","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:02",""
"2312403","9.0493","0.0004","25.1365","0.0008","14.1725","0.0007","90","","90.185","0.004","90","","3223.8","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dichloridobis{(S)-(+)-1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylidene]ethylamine-κN}palladium(II)","","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C128 H128 Br8 Cl8 N8 O8 Pd4 -","4","2","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(S)-(+)-1-(4-Bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(S)-(+)-1-(4-bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κN}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.0753","0.0466","","","0.0937","0.1074","","","","","","1.019","","","","has coordinates,has disorder","290314","2024-03-05","20:26:41",""
"2312430","8.2555","0.0006","6.752","0.0005","11.8096","0.0009","90","","90.573","0.003","90","","658.25","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-3-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","EF3054","Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas","Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002250","","","0.71073","MoKα","","0.0539","0.0517","","","0.1306","0.1323","","","","","","1.143","","","","has coordinates,has Fobs","290543","2024-03-20","02:57:50",""
"2312461","5.8163","0.0001","6.9218","0.0001","15.6295","0.0002","90","","93.354","0.001","90","","628.154","0.016","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium 4-[2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C24 H26 N6 O8 S2 -","2","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","1.54184","CuKα","","0.0293","0.0289","","","0.0791","0.0837","","","","","","1.084","","","","has coordinates","291105","2024-04-05","23:15:09",""
"3000416","6.0583","0.0002","12.1949","0.0004","17.7364","0.0005","90","","97.302","0.002","90","","1299.74","0.07","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","","","","","- C5 H14 Cl4 N2 O Pt -","","","","","","Doriana Vinci","","To be published","","","","","","","","","0.71073","MoKα","","0.0398","0.0292","","0.0435","0.032","0.0309","","","","","","1.0292","","","","","278609","2022-10-17","07:53:12","2023-03-17"
"3000422","8.6872","0.0002","5.8744","0.0001","19.0522","0.0006","90","","98.906","0.002","90","","960.55","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","","","","","- C18 H18 N2 Na2 O8 -","","","","","","Nikodem KUŹNIK; Kusz, Joachim; Książek, Maria","","To be published","","","","","","","","","1.54184","CuKα","","0.0381","0.0361","","","0.0965","0.0983","","","","","","1.071","","","","","278911","2022-11-02","12:41:59","2023-04-02"
"3000438","10.914","","8.223","","10.386","","90","","87.44","","90","","931.17","","79","","79","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N4 O4 S -","- C19 H22 N4 O4 S -","- C38 H44 N8 O8 S2 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1371","0.1097","","","0.2921","0.3026","","","","","","1.126","","","","has coordinates","285948","2023-09-01","06:37:39",""
"3000476","3.7388","0.0002","11.9046","0.0005","40.4205","0.0019","90","","92.318","0.005","90","","1797.6","0.15","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","","","","","- C20 H10 N4 O2 -","","","","","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","","To be published","","","","","","","","x-ray","0.812","Synchrotron","","0.2474","","","","0.4468","","","","","","","1.667","","","","","289004","2024-01-10","01:53:13","2024-12-10"
"3500008","7.342","0.001","10.922","0.002","11.245","0.002","90","","102.17","0.01","90","","881.5","0.3","295","","293","2","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C10 H18 Co N8 O8 -","- C10 Co N8 O8 -","- C20 Co2 N16 O16 -","2","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","","Personal communication to COD","2011","","","","","","","","0.71073","xray","","","0.066","","","0.081","","","","","2.807","2.807","","","","","has coordinates,has Fobs","176668","2020-10-21","18:00:00",""
"3500015","7.789","0.008","8.743","0.009","10.883","0.012","90","","102.76","0.008","90","","722.8","1.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Luca Russo; Saulius Gražulis; Gintautas Bagdziunas","Structure of Sucrose","Personal communication to COD","2013","","","","","","","","0.71075","MoKα","","","0.0289","","","","0.0684","","","","","","1.051","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3500021","3.9122","0.0002","13.604","0.0007","7.4016","0.0004","90","","100.411","0.002","90","","387.44","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H7 N -","- C11 H7 N -","- C22 H14 N2 -","2","1","","Thierry Maris","1-naphtonitrile","Personal communication to COD","2014","","","","","","","","1.54178","CuKα","","0.0494","0.0485","","","0.1229","0.1251","","","","","","1.09","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3500037","5.2467","0.0007","7.783","0.002","7.582","0.006","90","","101.39","0.02","90","","303.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","catena-((μ~6~-Hydrogen (+)-tartrato)-sodium)","","- C4 H5 Na O6 -","- C4 H5 Na O6 -","- C8 H10 Na2 O12 -","2","1","","Armel Le Bail","","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0522","0.0441","","","0.1203","0.1289","","","","","","1.167","","","","has coordinates,has Fobs","283804","2023-05-16","14:26:38",""
"3500098","6.5747","0.0002","7.4299","0.0003","6.7388","0.0002","90","","93.33","0.001","90","","328.63","0.019","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","b-D-Glucurono-1,4-lactone","","","- C6 H8 O6 -","- C6 H8 O6 -","- C12 H16 O12 -","2","1","","Thierry Maris","beta-D-Glucurono-1,4-lactone","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0369","0.0369","","","0.0847","0.0847","","","","","","1.183","","","","has coordinates,has Fobs","247190","2020-10-21","18:00:00",""
"3500129","9.8662","0.0007","3.9711","0.0003","17.3372","0.0012","90","","105.352","0.002","90","","655.03","0.08","200","2","200.15","","","","","","","","","4","P 1 21 1","P 2yb","4","2,2',4,4'-tetrabromodiphenylamine","Benzenamine, 2,4-dibromo-N-(2,4-dibromophenyl)-","","- C12 H7 Br4 N -","- C12 H7 Br4 N -","- C24 H14 Br8 N2 -","2","1","","Lautmann, Michael; Maris, Thierry; Wuest, James D.","2,2',4,4'-tetrabromodiphenylamine","Personal communication to COD","2022","","","","","","","","1.54178","CuKα","","0.0354","0.0353","","","0.0996","0.0997","","","","","","1.09","","","","has coordinates,has Fobs","278330","2022-10-04","18:16:06",""
"4000004","10.7378","0.0003","13.9667","0.0005","13.4215","0.0004","90","","108.263","0.0003","90","","1911.44","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H8 F10 Fe -","- C22 H8 F10 Fe -","- C88 H32 F40 Fe4 -","4","2","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.1211","0.0981","","","0.2509","0.2857","","","","","","1.029","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000036","5.6171","0.0005","7.7555","0.0001","18.185","0.002","90","","94.719","0.01","90","","789.52","0.09","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000037","5.3737","0.0008","7.9572","0.0001","20.561","0.004","90.001","0.01","97.938","0.01","89.98","0.02","870.7","0.2","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000041","12.305","0.002","5.642","0.0007","25.979","0.004","90","","103.401","0.005","90","","1754.5","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O6 -","- C19 H14 N3 O6 -","- C76 H56 N12 O24 -","4","2","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000315","14.4894","0.0018","37.823","0.005","19.364","0.002","90","","91.384","0.003","90","","10609","2","168","2","168","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H64 Co Li2 N4 O4 -","- C56 H64 Co Li2 N4 O4 -","- C448 H512 Co8 Li16 N32 O32 -","8","4","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.1283","0.0516","","","0.0583","0.0708","","","","","","0.759","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000431","8.166","0.003","19.155","0.008","10.522","0.004","90","","97.35","0.006","90","","1632.4","1.1","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(6) Zn4(OMPec)4(Et)4","","","- C28 H56 O4 Zn4 -","- C28 H56 O4 Zn4 -","- C56 H112 O8 Zn8 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0758","0.0481","","","0.1002","0.1119","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000490","15.267","0.003","8.7932","0.0015","16.438","0.003","90","","114.405","0.003","90","","2009.5","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N2 O9 S2 -","- C39 H42 N2 O9 S2 -","- C78 H84 N4 O18 S4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0489845","","","0.71073","MoKα","","0.076","0.0466","","","0.1129","0.1227","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000583","14.325","0.003","21.482","0.004","28.585","0.006","90","","90.4","0.03","90","","8796","3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- La2 Mo2 O9 -","- La2 Mo2 O9 -","- La96 Mo96 O432 -","48","24","","","","Chemistry of Materials","2005","","","","","10.1021/cm050049+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000611","5.6054","0.0002","8.3407","0.0003","13.7479","0.0006","90","","93.333","0.003","90","","641.7","0.1","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H2 Ag N3 O3 -","- C4 H2 Ag N3 O -","- C8 H4 Ag2 N6 O2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000705","8.552","0.005","7.519","0.005","38.551","0.005","90","","91.896","0.005","90","","2478","2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 -","- C29 H31 N3 -","- C116 H124 N12 -","4","2","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties","Chemistry of Materials","2011","23","3","862","873","10.1021/cm102165r","","","0.71069","MoKα","","0.1503","0.0574","","0.1263","0.0743","0.0743","","","","","","0.7826","","","","has coordinates","218797","2020-10-21","18:00:00",""
"4000727","11.6199","0.0013","13.397","0.0015","11.6558","0.0013","90","","104.163","0.002","90","","1759.3","0.3","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N6 O2 S2 Zn -","- C28 H56 N6 O2 S2 Zn -","- C56 H112 N12 O4 S4 Zn2 -","2","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000754","11.3691","0.0008","11.2041","0.0006","17.6065","0.0011","90","","101.148","0.007","90","","2200.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H64 O4 Sn4 Zn4 -","- C27 H64 O4 Sn4 Zn4 -","- C54 H128 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0776","0.0669","","","0.1577","0.1639","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000755","11.2398","0.0002","11.0673","0.0002","16.6253","0.0004","90","","98.927","0.002","90","","2043.04","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H56 O4 Sn4 Zn4 -","- C23 H56 O4 Sn4 Zn4 -","- C46 H112 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0231","0.0205","","","0.0401","0.0405","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000942","9.1139","0.0013","5.2146","0.0005","9.2164","0.0014","90","","111.298","0.008","90","","408.1","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H2 I2 Na O9 V -","- H2 I2 Na O9 V -","- H4 I4 Na2 O18 V2 -","2","1","","Yang, Bing-Ping; Hu, Chun-Li; Xu, Xiang; Sun, Chuan-Fu; Zhang, Jian-Han; Mao, Jiang-Gao","NaVO2(IO3)2(H2O): A Unique Layered Material Produces A Very Strong SHG Response","Chemistry of Materials","2010","22","4","1545","","10.1021/cm902902j","","","0.71073","MoKα","","0.0296","0.0266","","","0.0545","0.0555","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000945","7.5411","0.0016","6.6118","0.0014","27.999","0.006","90","","97.065","0.003","90","","1385.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H20 Ca2 O14 -","- C30 H20 Ca2 O14 -","- C60 H40 Ca4 O28 -","2","1","","Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications","Chemistry of Materials","2010","22","7","2255","","10.1021/cm9030733","","","0.7749","synchrotron","","0.0856","0.0818","","","0.2182","0.222","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000965","8.129","0.003","44.017","0.018","8.57","0.004","90","","94.802","0.007","90","","3056","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(hexyl)2NPhPhDCDHF (5)","","","- C34 H40 N4 O -","- C34 H40 N4 O -","- C136 H160 N16 O4 -","4","2","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.1423","0.1064","","","0.2672","0.2934","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001010","14.9941","0.0004","9.1881","0.0003","15.3393","0.0004","90","","100.575","0.0004","90","","2077.36","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0403","0.0383","","","0.1005","0.1027","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001011","15.0896","0.0006","9.2975","0.0003","15.4377","0.0006","90","","100.947","0.0005","90","","2126.43","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0538","0.0455","","","0.1125","0.1188","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001029","7.805","0.0003","11.0797","0.0005","9.4489","0.0004","90","","106.013","0.002","90","","785.41","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl2 N4 O0 Se2 -","- C10 H16 Cl2 N4 Se2 -","- C20 H32 Cl4 N8 Se4 -","2","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0225","0.0201","","","0.041","0.0415","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001051","5.845","0.0012","16.248","0.003","10.318","0.002","90","","101.12","0.03","90","","961.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","1","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0421","","","","0.0846","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001220","11.0096","0.0008","11.3272","0.0008","11.9921","0.0012","90","","91.079","0.007","90","","1495.2","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 S Si2 -","- C31 S1.26 Si2 -","- C62 S2.52 Si4 -","2","1","","Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan","Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors","Chemistry of Materials","2008","20","14","4669","","10.1021/cm800644y","","","0.71073","MoKα","","0.2832","0.156","","0.3313","0.2539","0.3313","","","","","","1.3034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001246","6.2126","0.0012","28.296","0.006","7.5789","0.0015","90","","90.53","0.03","90","","1332.3","0.5","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","2","","Du, Chunyan; Guo, Yunlong; Liu, Yunqi; Qiu, Wenfeng; Zhang, Hengjun; Gao, Xike; Liu, Ying; Qi, Ting; Lu, Kun; Yu, Gui","Anthra[2,3-b]benzo[d]thiophene: An Air-Stable Asymmetric Organic Semiconductor with High Mobility at Room Temperature","Chemistry of Materials","2008","20","13","4188","","10.1021/cm801305f","","","0.71073","MoKα","","0.0431","0.0386","","","0.0819","0.0851","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001247","12.8678","0.0007","11.695","0.0005","15.7404","0.0008","90","","97.791","0.004","90","","2346.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H51 N4 O10.5 Zn2 -","- C46 H46 N4 O10.5 Zn2 -","- C92 H92 N8 O21 Zn4 -","2","1","","Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","In Situ Synthesis of Tetradentate Dye for Construction of Three-Dimensional Homochiral Phosphor.","Chemistry of materials : a publication of the American Chemical Society","2008","20","17","5457","5459","10.1021/cm801385m","","","0.71073","MoKα","","0.1272","0.0697","","","0.1702","0.1981","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001410","13.0907","0.0002","11.9219","0.0002","22.7569","0.0003","90","","96.062","0.001","90","","3531.72","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CoEnOx-BPDS-H2O","","","- C24 H47 Co2 N8 O17.5 S2 -","- C24 H47 Co2 N8 O17.5 S2 -","- C96 H188 Co8 N32 O70 S8 -","4","2","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0429","0.0384","","","0.0935","0.0985","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001431","6.196","0.004","15.428","0.011","9.697","0.007","90","","94.494","0.012","90","","924.1","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-Aib-Ala","Tyrosyl-alpha-aminoisobutyryl-alanine monohydrate","","- C16 H25 N3 O6 -","- C16 H23 N3 O6 -","- C32 H46 N6 O12 -","2","1","","Bose, Partha Pratim; Das, Apurba Kr.; Hegde, Raghurama P.; Shamala, Narayanaswami; Banerjee, Arindam","pH-Sensitive Nanostructural Transformation of a Synthetic Self-Assembling Water-Soluble Tripeptide: Nanotube to Nanovesicle","Chemistry of Materials","2007","19","25","6150","","10.1021/cm0716147","","","0.71073","MoKα","","0.1511","0.0829","","","0.1707","0.1951","","","","","","0.926","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001445","7.7559","0.0019","11.598","0.003","17.588","0.005","90","","102.64","0.002","90","","1543.7","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O8 Zn2 -","- C30 H36 N2 O8 Zn2 -","- C60 H72 N4 O16 Zn4 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0328","","","0.0865","0.1045","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001447","18.8494","0.0007","10.8373","0.0004","19.0705","0.0007","90","","102.786","0.002","90","","3799.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H86 Cd4 N6 O16 -","- C76 H86 Cd4 N6 O16 -","- C152 H172 Cd8 N12 O32 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.0493","0.0352","","","0.0655","0.0699","","","","","","0.904","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001454","6.9716","0.0009","7.0279","0.0009","9.4593","0.0013","90","","99.188","0.002","90","","457.52","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium tungsten tellurite","","- H8 N2 O8 Te2 W -","- N2 O8 Te2 W -","- N4 O16 Te4 W2 -","2","1","","Kim, Jun-Ho; Baek, Jaewook; Halasyamani, P. Shiv","(NH4)2Te2WO8: A New Polar Oxide with Second-Harmonic Generating, Ferroelectric, and Pyroelectric Properties","Chemistry of Materials","2007","19","23","5637","","10.1021/cm7019334","","","0.71073","MoKα","","0.0359","0.0318","","","0.0597","0.0607","","","","","","0.922","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001576","7.4265","0.0011","5.7172","0.0008","14.84","0.002","90","","102.336","0.002","90","","615.54","0.15","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H8 S4 -","- C13.58 H7.58 S3.58 -","- C27.16 H15.16 S7.16 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0937","0.0577","","","0.1468","0.17","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001951","12.7495","0.001","9.4141","0.0007","14.5027","0.0011","90","","99.576","0.002","90","","1716.4","0.2","173","2","173","2","","","","","","","","2","P 1 21 1","P 2yb","4","10150","","","- C48 H40 -","- C48 H40 -","- C96 H80 -","2","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0606","0.0431","","","0.0958","0.1051","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002203","8.357","0.002","5.95","0.001","19.356","0.003","90","","97.453","0.005","90","","954.3","0.3","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 S2 -","- C24 H20 S2 -","- C48 H40 S4 -","2","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","0.71075","MoKα","","0.0671","0.0486","","","0.1001","0.1148","","","","","","1.073","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002420","7.255","","8.356","","7.934","","90","","91.68","","90","","480.774","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Gd (P O3)4","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd2 K2 O24 P8 -","2","1","","Parreu, I.; Carvajal, J.J.; Diaz, F.; Solans, X.; Aguilo, M.","Crystal structure and optical characterization of pure and Nd-substituted type III K Gd (P O3)4","Chemistry of Materials (1,1989-)","2006","18","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002421","7.286","","8.442","","8.034","","90","","92.17","","90","","493.804","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Nd (P O3)4","","- K Nd O12 P4 -","- K Nd O12 P4 -","- K2 Nd2 O24 P8 -","2","1","","Parreu, I.; Aguilo, M.; Solans, X.; Diaz, F.; Carvajal, J.J.","Crystal structure and optical characterization of pure and Nd-substituted type III K Gd (P O3)4","Chemistry of Materials (1,1989-)","2006","18","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002448","9.4868","","4.9676","","11.261","","90","","92.262","","90","","530.279","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Li (H2 O) Ni (N2 H3 C O2)3) (H2 O)0.5","","- C3 H12 Li N6 Ni O7.5 -","- C3 H12 Li N6 Ni O7.5 -","- C6 H24 Li2 N12 Ni2 O15 -","2","1","","Tey, S.L.; Reddy, M.V.; Ding, J.; Chowdary, B.V.R.; Rao, G.V.S.; Yi, J.; Vittal, J.J.","Synthesis, Structure, and Magnetic Properties of Precursors to LiMO2 Battery Materials","Chemistry of Materials (1,1989-)","2006","18","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002449","9.5324","","5.0019","","11.3136","","90","","92.337","","90","","538.985","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Li (H2 O) Co (N2 H3 C O2)3) (H2 O)0.5","","- C3 H12 Co Li N6 O7.5 -","- C3 H12 Co Li N6 O7.5 -","- C6 H24 Co2 Li2 N12 O15 -","2","1","","Tey, S.L.; Reddy, M.V.; Rao, G.V.S.; Yi, J.; Vittal, J.J.; Chowdary, B.V.R.; Ding, J.","Synthesis, Structure, and Magnetic Properties of as Single Precursors to LiMO2 Battery Materials","Chemistry of Materials (1,1989-)","2006","18","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002700","6.355","0.006","3.723","0.003","7.749","0.007","90","","96.919","0.018","90","","182","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Gd H2 N O5 -","- Gd H2 N O5 -","- Gd2 H4 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0213","0.0205","","","0.0509","0.0511","","","","","","1.077","","","","has coordinates","190414","2020-10-21","18:00:00",""
"4002701","6.495","0.004","3.967","0.002","7.784","0.005","90","","99.913","0.011","90","","197.6","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 La N O5 -","- H2 La N O5 -","- H4 La2 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0148","0.0137","","","0.0293","0.0296","","","","","","1.069","","","","has coordinates","190415","2020-10-21","18:00:00",""
"4002994","8.63101","0.00011","8.95452","0.0001","15.8648","0.0002","90","","95.9401","0.0013","90","","1219.55","0.03","225","0.1","225","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0538","0.0396","","","0.0873","0.0919","","","","","","0.984","","","","has coordinates","220418","2020-10-21","18:00:00",""
"4002995","8.6061","0.0001","8.9116","0.0001","15.8703","0.0002","90","","95.141","0.001","90","","1212.26","0.02","104","0.8","104","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","220419","2020-10-21","18:00:00",""
"4003015","9.224","0.003","7.117","0.002","14.262","0.005","90","","99.945","0.005","90","","922.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C11 H15 Cl2 N5 O3 Ru S -","- C22 H30 Cl4 N10 O6 Ru2 S2 -","2","1","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0831","0.0553","","","0.1269","0.1452","","","","","","1.028","","","","has coordinates,has disorder","220438","2020-10-21","18:00:00",""
"4003070","9.554","0.004","9.071","0.004","15.206","0.006","90","","94.369","0.013","90","","1314","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Cd N2 -","- C20 H32 Br4 Cd N2 -","- C40 H64 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0728","0.0604","","","0.1342","0.1392","","","","","","1.008","","","","has coordinates","220489","2020-10-21","18:00:00",""
"4003244","32.65","0.006","9.5","0.0019","35.77","0.007","90","","108.44","0.03","90","","10525","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","1","0.5","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.7","synchrotron","","0.1114","0.1082","","","0.3159","0.32","","","","","","1.714","","","","has coordinates","231460","2020-10-21","18:00:00",""
"4003245","15.6387","0.0007","11.6835","0.0005","16.3316","0.0011","90","","117.909","0.002","90","","2637","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C120 H144 N12 O18 -","6","3","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.71073","MoKα","","0.0654","0.0552","","","0.1204","0.1274","","","","","","1.106","","","","has coordinates","231461","2020-10-21","18:00:00",""
"4003434","9.7389","0.0002","9.3411","0.0002","15.7868","0.0003","90","","94.833","0.002","90","","1431.05","0.05","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-benzyl-N,N,N-trimethylammonium tetraiodomanganate(II)","","- C20 H32 I4 Mn N2 -","- C20 H32 I4 Mn N2 -","- C40 H64 I8 Mn2 N4 -","2","1","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.0253","0.0239","","","0.0521","0.0528","","","","","","1.061","","","","has coordinates","243738","2020-10-21","18:00:00",""
"4003435","9.5066","0.0002","8.9878","0.0002","29.1439","0.0007","90","","91.006","0.002","90","","2489.77","0.1","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-benzyl-N,N,N-trimethylammonium tetrachloromanganate(II)","","- C20 H32 Cl4 Mn N2 -","- C20 H32 Cl4 Mn N2 -","- C80 H128 Cl16 Mn4 N8 -","4","2","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.1125","0.103","","","0.2698","0.2797","","","","","","1.06","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4003438","9.7905","0.0004","9.3048","0.0006","16.1235","0.0007","90","","96.838","0.004","90","","1458.38","0.13","143","0.1","143","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","0.71073","MoKα","","0.0712","0.0461","","","0.0789","0.0877","","","","","","1.009","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003439","9.7865","0.0003","9.3003","0.0003","16.1043","0.0004","90","","96.748","0.003","90","","1455.62","0.07","292.5","0.4","292.5","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.0575","0.0522","","","0.1389","0.1478","","","","","","1.039","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003470","5.9701","0.0001","11.8291","0.0002","11.8582","0.0002","90","","92.361","0.002","90","","836.73","0.02","293.52","0.1","293.52","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Br3 N2 Pb -","- C H7 Br3 N2 Pb -","- C4 H28 Br12 N8 Pb4 -","4","2","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0185","0.0176","","","0.0399","0.0401","","","","","","1.099","","","","has coordinates","247898","2020-10-21","18:00:00",""
"4003498","5.436","0.013","9.91","0.02","6.281","0.015","90","","105.44","0.05","90","","326.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F2 I2 O6 Sn -","- F2 I2 O6 Sn -","- F4 I4 O12 Sn2 -","2","1","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0359","0.0328","","","0.065","0.0656","","","","","","0.905","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003523","9.9327","0.0005","9.829","0.0005","33.11","0.0018","90","","96.721","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0376","0.0366","","","0.0915","0.0924","","","","","","1.037","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003524","9.9333","0.0005","9.8326","0.0005","33.0974","0.0016","90","","96.739","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0378","0.0367","","","0.0947","0.0957","","","","","","1.022","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003536","5.7266","0.0001","11.3396","0.0002","11.3926","0.0002","90","","92.332","0.002","90","","739.19","0.02","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","2","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0283","0.0272","","","0.0606","0.0615","","","","","","1.071","","","","has coordinates","251026","2020-10-21","18:00:00",""
"4003537","9.9645","0.0001","15.8391","0.0001","21.1899","0.0002","90","","94.026","0.001","90","","3336.12","0.05","104","1","104","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H50 N28 O Zn5 -","- C66 H50 N28 O Zn5 -","- C132 H100 N56 O2 Zn10 -","2","1","","Lyndon, Richelle; You, Wenqin; Ma, Yao; Bacsa, John; Gong, Yutao; Stangland, Eric E.; Walton, Krista S.; Sholl, David S.; Lively, Ryan P.","Tuning the Structures of Metal‒Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04177","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.0956","0.0981","","","","","","1.039","","","","has coordinates,has disorder","251274","2020-10-21","18:00:00",""
"4003544","12.952","0.0007","14.343","0.0007","14.3389","0.0007","90","","94.966","0.002","90","","2653.7","0.2","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 F4 I10 N4 Sb2 -","- C32 H44 F4 I10 N4 Sb2 -","- C64 H88 F8 I20 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0189","0.0172","","","0.0381","0.0385","","","","","","1.199","","","","has coordinates,has disorder","252244","2020-10-21","18:00:00",""
"4003545","12.3557","0.0005","13.4134","0.0006","14.4815","0.0006","90","","95.5638","0.0013","90","","2388.74","0.17","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Br10 F4 N4 Sb2 -","- C32 H44 Br10 F4 N4 Sb2 -","- C64 H88 Br20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0247","0.02","","","0.0372","0.0383","","","","","","0.972","","","","has coordinates","252245","2020-10-21","18:00:00",""
"4003546","12.2017","0.0006","14.1185","0.0007","14.0742","0.0007","90","","95.2271","0.0017","90","","2414.5","0.2","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Br10 F4 N4 -","- C32 H44 Bi2 Br10 F4 N4 -","- C64 H88 Bi4 Br20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0541","0.0444","","","0.1277","0.136","","","","","","1.043","","","","has coordinates,has disorder","252246","2020-10-21","18:00:00",""
"4003547","11.7357","0.0005","13.9008","0.0006","13.9806","0.0006","90","","95.5476","0.0014","90","","2270.05","0.17","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Cl10 F4 N4 -","- C32 H44 Bi2 Cl10 F4 N4 -","- C64 H88 Bi4 Cl20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0341","0.0272","","","0.061","0.0643","","","","","","1.108","","","","has coordinates,has disorder","252247","2020-10-21","18:00:00",""
"4003548","11.8394","0.0007","12.8214","0.0007","14.8843","0.0009","90","","95.0706","0.0019","90","","2250.6","0.2","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cl10 F4 N4 Sb2 -","- C32 H44 Cl10 F4 N4 Sb2 -","- C64 H88 Cl20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0234","0.0195","","","0.0365","0.0374","","","","","","1.046","","","","has coordinates","252248","2020-10-21","18:00:00",""
"4003549","12.9207","0.0005","14.6156","0.0005","14.2779","0.0005","90","","94.3351","0.0014","90","","2688.58","0.17","100","2","100.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 F4 I10 N4 -","- C32 H44 Bi2 F4 I10 N4 -","- C64 H88 Bi4 F8 I20 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0396","0.0268","","","0.0402","0.0429","","","","","","0.953","","","","has coordinates","252249","2020-10-21","18:00:00",""
"4003580","5.33793","0.00003","5.48741","0.00003","7.75779","0.00005","90","","90.2455","0.0004","90","","227.235","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Dy Na Ni O6 W -","- Dy Na Ni O6 W -","- Dy2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.2164","6.7903","","","","","","","has coordinates","253213","2020-10-21","18:00:00",""
"4003581","5.32705","0.00003","5.49121","0.00004","7.7552","0.00005","90","","90.2233","0.0004","90","","226.853","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ho Na Ni O6 W -","- Ho Na Ni O6 W -","- Ho2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","CuKα","","","","","","","","","3.1562","7.2671","","","","","","","has coordinates","253214","2020-10-21","18:00:00",""
"4003582","5.322633","0.000019","5.48943","0.00002","7.74998","0.00002","90","","90.2387","0.0002","90","","226.439","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Y -","- Na Ni O6 W Y -","- Na2 Ni2 O12 W2 Y2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.8782","4.2211","","","","","","","has coordinates","253215","2020-10-21","18:00:00",""
"4003583","5.2834","0.00005","5.47922","0.00005","7.72843","0.00008","90","","90.2088","0.0007","90","","223.728","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Yb -","- Na Ni O6 W Yb -","- Na2 Ni2 O12 W2 Yb2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.5593","6.3319","","","","","","","has coordinates","253216","2020-10-21","18:00:00",""
"4003618","10.5956","0.0006","16.5409","0.0006","12.0346","0.0011","90","","110.128","0.008","90","","1980.4","0.2","140","0.5","140","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 Au Cl4 N2 -","- C42 H53 Au Cl4 N2 -","- C84 H106 Au2 Cl8 N4 -","2","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.036","0.0315","","","0.0684","0.0709","","","","","","1.02","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003629","6.8852","0.0005","7.26","0.0005","14.7694","0.0009","90","","97.2854","0.0019","90","","732.31","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi3 F O14 Se5 -","- Bi3 F O14 Se5 -","- Bi6 F2 O28 Se10 -","2","1","","Chung, Jee Yoon; Jo, Hongil; Yeon, Seongbeom; Byun, Hye Ryung; You, Tae-Soo; Jang, Joon I.; Ok, Kang Min","Bi3(SeO3)3(Se2O5)F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02167","","","0.71073","MoKα","","0.0344","0.034","","","0.0873","0.0876","","","","","","1.089","","","","has coordinates","254316","2020-10-21","18:00:00",""
"4003638","7.4132","0.0008","7.5123","0.0007","10.9503","0.0015","90","","105.547","0.012","90","","587.51","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba2 H I3 Mo O13 -","- Ba2 H I3 Mo O13 -","- Ba4 H2 I6 Mo2 O26 -","2","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Tang, Ru-Ling; Chen, Jin; Fang, Zhi; Li, Bingxuan; Mao, Jiang-Gao","Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02657","","","0.71073","MoKα","","0.0621","0.059","","","0.1433","0.1479","","","","","","1.071","","","","has coordinates","254556","2020-10-21","18:00:00",""
"4003664","28.104","0.007","4.9819","0.0015","15.811","0.006","90","","92.016","0.027","90","","2212.3","1.2","300","","300","","","","100","","","","","5","P 1 21 1","P 2yb","4","Fmoc-pentafluoro-L-phenylalanine","(S)-2-(Fmoc-amino)-3-(pentafluorophenyl)propionic acid","","- C48 H32 F10 N2 O8 -","- C48 H32 F10 N2 O8 -","- C96 H64 F20 N4 O16 -","2","1","","Cohen-Gerassi, Dana; Arnon, Zohar A.; Guterman, Tom; Levin, Aviad; Ghosh, Moumita; Aviv, Moran; Levy, Davide; Knowles, Tuomas P. J.; Shacham-Diamand, Yosi; Adler-Abramovich, Lihi","Phase Transition and Crystallization Kinetics of a Supramolecular System in a Microfluidic Platform","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02187","powder diffraction","x-ray","1.5405","CuKα~1,2~","","","","","","0.09958","","0.29649","","31.967","","","","","","","has coordinates","255409","2020-10-21","18:00:00",""
"4003690","8.9377","0.0003","9.8247","0.0004","9.1683","0.0003","90","","106.746","0.001","90","","770.93","0.05","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba Bi O14 P4 Rb3 -","- Ba Bi O14 P4 Rb3 -","- Ba2 Bi2 O28 P8 Rb6 -","2","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0316","0.0261","","","0.0535","0.0545","","","","","","0.981","","","","has coordinates","256808","2020-10-21","18:00:00",""
"4003692","8.0618","0.0005","7.8928","0.0004","19.7697","0.0012","90","","101.734","0.002","90","","1231.66","0.12","200","2","199.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0394","0.0358","","","0.0748","0.0764","","","","","","1.061","","","","has coordinates","258232","2020-10-21","18:00:00",""
"4003697","4.7896","0.0002","50.055","0.003","6.505","0.0004","90","","105.331","0.007","90","","1504.03","0.15","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H28 N4 O4 -","- C40 H28 N4 O4 -","- C80 H56 N8 O8 -","2","1","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.0983","0.0699","","","0.1682","0.2017","","","","","","0.928","","","","has coordinates","258560","2020-10-22","22:31:56",""
"4003701","9.717","0.0004","11.9545","0.0005","13.2835","0.0006","90","","110.537","0.0015","90","","1444.97","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 Br Pt -","- C14 H23 Br Pt -","- C56 H92 Br4 Pt4 -","4","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0227","0.0189","","","0.0325","0.0335","","","","","","1.07","","","","has coordinates","258617","2020-10-27","23:21:11",""
"4003856","3.8701","0.0001","15.2836","0.0005","5.8211","0.0002","90","","93.608","0.003","90","","343.63","0.019","160","0.1","160","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.0396","0.0343","","","0.087","0.0904","","","","","","1.05","","","","has coordinates","261357","2021-02-01","23:36:14",""
"4003915","6.2799","0.0004","9.0158","0.0005","8.7582","0.0006","90","","92.448","0.006","90","","495.42","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H14 N O4 Re -","- C7 H14 N O4 Re -","- C14 H28 N2 O8 Re2 -","2","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0424","0.0348","","","0.0643","0.0662","","","","","","0.943","","","","has coordinates","264489","2021-04-23","22:27:23",""
"4003946","8.9649","0.0001","23.2894","0.0001","14.0591","0.0001","90","","107.609","0.001","90","","2797.82","0.04","295.53","0.11","295.53","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 I10 N4 O8 Pb3 -","- C28 H56 I10 N4 O8 Pb3 -","- C56 H112 I20 N8 O16 Pb6 -","2","1","","Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei","Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00391","","x-ray","1.54184","CuKα","","0.0303","0.029","","","0.0732","0.0739","","","","","","1.007","","","","has coordinates","265318","2021-05-18","22:23:54",""
"4003995","9.1142","0.0004","12.0574","0.0005","13.2549","0.0007","90","","90.651","0.004","90","","1456.53","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0569","0.056","","","0.142","0.143","","","","","","1.04","","","","has coordinates","267463","2021-07-11","22:16:01",""
"4003998","9.1224","0.0002","12.0569","0.0003","13.3229","0.0004","90","","90.602","0.002","90","","1465.28","0.07","173.1","0.5","173.1","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0444","0.0399","","","0.1054","0.1079","","","","","","1.028","","","","has coordinates","267466","2021-07-11","22:17:04",""
"4004016","8.8725","0.0014","14.4071","0.0017","9.6558","0.0014","90","","113.403","0.018","90","","1132.7","0.3","423","2","423","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H20 Bi Br6 N2 O2 Rb -","- C8 H20 Bi Br6 N2 O2 Rb -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","2","1","","He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong","Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c02084","","","0.71073","MoKα","","0.2858","0.2127","","","0.4561","0.4898","","","","","","1.12","","","","has coordinates","267750","2021-07-26","22:36:42",""
"4004017","10.24","0.002","8.4579","0.0017","21.347","0.004","90","","90.14","0.03","90","","1848.8","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Bi I5 N2 -","- C6 H16 Bi I5 N2 -","- C24 H64 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0406","0.0331","","","0.0752","0.0779","","","","","","1.066","","","","has coordinates","267751","2021-07-26","22:37:02",""
"4004019","10.93","0.002","9.0996","0.0018","17.651","0.004","90","","90.29","0.03","90","","1755.5","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 Bi I5 N2 -","- C6 H10 Bi I5 N2 -","- C24 H40 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","x-ray","0.71073","MoKα","","0.1084","0.093","","","0.1017","0.1022","","","","5.07","5.07","4.57","","","","has coordinates","267753","2021-07-26","22:37:45",""
"4004022","12.74","0.003","8.9285","0.0018","16.404","0.003","90","","90.09","0.03","90","","1865.9","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Bi I5 N2 -","- C6 H16 Bi I5 N2 -","- C24 H64 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","x-ray","0.71073","MoKα","","0.0905","0.0607","","","0.0849","0.086","","","","3.04","3.04","2.48","","","","has coordinates","267756","2021-07-26","22:39:07",""
"4004064","4.536","0.0004","17.4264","0.0016","4.7517","0.0004","90","","95.35","0.004","90","","373.97","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 N1.5 O1.5 P0.5 -","- C2 H4 N1.5 O1.5 P0.5 -","- C8 H16 N6 O6 P2 -","4","2","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0349","0.0313","","","0.0711","0.073","","","","","","1.086","","","","has coordinates","273278","2022-03-03","22:42:48",""
"4004075","7.7313","0.0001","35.4619","0.0005","7.7347","0.0001","90","","90.807","0.001","90","","2120.39","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag Cl8 Fe N4 -","- C36 H56 Ag Cl8 Fe N4 -","- C72 H112 Ag2 Cl16 Fe2 N8 -","2","1","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0843","0.0788","","","0.2069","0.2116","","","","","","1.029","","","","has coordinates","274282","2022-04-03","21:51:16",""
"4020000","12.762","0.0016","6.8946","0.0009","17.222","0.002","90","","98.533","0.002","90","","1498.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N2 O0.5 -","- C17 H21 N2 O0.5 -","- C68 H84 N8 O2 -","4","2","","Steven M. Allin; Christopher I. Thomas; Kevin Doyle; Mark R. J. Elsegood","","Journal of Organic Chemistry","2005","70","","357","359","10.1021/jo040245k","","x-ray","0.71073","MoKα","","0.0687","0.0429","","","0.0918","0.1051","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020013","16.04","0.06","9.16","0.03","16.62","0.1","90","","117.75","0.04","90","","2162.7","1.7","193.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 I2 N2 Sn2 -","- C26 H14 I2 N2 Sn2 -","- C52 H28 I4 N4 Sn4 -","2","1","","Robert E. Gawley; Sanjay Narayan; David A. Vicic","Absolute Configuration of 2-(Tributylstannyl)pyrrolidine by Anomalous Dispersion X-ray Analysis","Journal of Organic Chemistry","2005","70","","328","329","10.1021/jo048569w","","","0.7107","MoKα","","","0.097","","","","0.144","","","","","","14.209","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020029","7.7918","0.0013","19.181","0.003","10.7621","0.0018","90","","102.2","0.003","90","","1572.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.71073","MoKα","","0.1437","0.0715","","","0.1576","0.2011","","","","","","0.917","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020030","7.698","0.002","20.7","0.005","11.647","0.003","90","","104","3","90","","1798","26","100.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O3 -","- C19 H31 N O3 -","- C76 H124 N4 O12 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.7107","MoKα","","","0.0496","","","","0.0717","","","","","","0.949","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020041","7.892","0.002","7.1872","0.0008","11.873","0.003","90","","98.59","0.02","90","","665.9","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N O2 -","- C13 H14 F3 N O2 -","- C26 H28 F6 N2 O4 -","2","1","","Nguyen Thi Ngoc Tam; Guillaume Magueur; Michèle Ourévitch; Benoit Crousse; Jean-Pierre Bégué; Danièle Bonnet-Delpon","","Journal of Organic Chemistry","2005","70","","699","702","10.1021/jo0485233","","","0.71073","MoKα","","0.0905","0.0672","","0.1116","0.0811","0.0811","","","","","","1.0238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020055","9.555","0.0002","6.4178","0.0001","10.1281","0.0002","90","","104.113","0.001","90","","602.33","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","Jamie B. Scaglione; Nigam P. Rath; Douglas F. Covey","","Journal of Organic Chemistry","2005","70","","1089","1092","10.1021/jo048561m","","","0.71073","MoKα","","0.0409","0.0359","","","0.0855","0.0885","","","","","","1.052","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020066","6.0773","0.0014","18.504","0.004","13.822","0.003","90","","98.045","0.005","90","","1539","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C64 H74 N2 O16 S2 -","2","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0912","0.0471","","","0.0831","0.095","","","","","","1.014","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020073","11.133","0.006","9.044","0.002","12.669","0.005","90","","90.45","0.04","90","","1275.6","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 -","- C29 H33 N O3 -","- C58 H66 N2 O6 -","2","1","","Stéphanie Desvergnes; Sandrine Py; Yannick Vallée","","Journal of Organic Chemistry","2005","70","","1459","1462","10.1021/jo048237r","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020081","6.435","0.005","6.853","0.005","12.112","0.005","90","0.005","103.75","0.005","90","0.005","518.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,3R)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2R,3R)-anti,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Agnese Abate; Elisabetta Brenna; Claudio Fuganti; Francesco G. Gatti; Tommaso Giovenzana; Luciana Malpezzi; Stefano Serra","","Journal of Organic Chemistry","2005","70","","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0473","0.04","","","0.117","0.1234","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020089","13.45","0.01","19.8","0.01","18.97","0.01","90","","93.82","0.03","90","","5039.6","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H36 Cl2 Rh2 -","- C40 H36 Cl2 Rh2 -","- C240 H216 Cl12 Rh12 -","6","3","","Yusuke Otomaru; Kazuhiro Okamoto; Ryo Shintani; Tamio Hayashi","","Journal of Organic Chemistry","2005","70","","2503","2508","10.1021/jo047831y","","","0.7107","MoKα","","","0.029","","","","0.043","","","","","","2.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020114","15.889","0.005","13.899","0.006","10.271","0.003","90","","99.75","0.03","90","","2235.4","1.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","3-Bromo-N-(2-diPhPO-6-MeOphenyl)piperidine","","","- C24 H25 Br N O2 P -","- C24 Br N O2 P -","- C96 Br4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.05","0.048","","0.178","0.177","0.177","","","0.779","0.718","0.718","0.718","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020115","15.852","0.005","13.838","0.006","10.219","0.003","90","","99.95","0.02","90","","2207.8","1.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-Chlorpiperidine","","","- C24 H25 Cl N O2 P -","- C24 Cl N O2 P -","- C96 Cl4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","","CuKα","","0.045","0.041","","0.193","0.192","0.192","","","0.899","0.649","0.649","0.649","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020116","15.407","0.005","6.635","0.003","13.278","0.005","90","","99.97","0.03","90","","1337","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(sR,S)pyperidinopyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C58 N4 O2 P2 -","2","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.06","0.052","","0.186","0.186","0.186","","","0.782","0.552","0.552","0.552","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020137","19.0391","0.0012","11.1986","0.0007","23.9408","0.0015","90","","95.338","0.003","90","","5082.3","0.6","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C101 H132 N4 O44 -","- C101 H132 N4 O44 -","- C202 H264 N8 O88 -","2","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.1029","0.0847","","","0.2246","0.2396","","","","","","1.048","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020139","11.5806","0.0002","22.8486","0.0004","12.1009","0.0002","90","","113.623","0.001","90","","2933.59","0.09","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H83 Cl2 N5 O2 S2 -","- C60 H83 Cl2 N5 O2 S2 -","- C120 H166 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.0988","0.0507","","","0.0909","0.1074","","","","","","0.986","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020165","8.872","0.003","17.86","0.007","10.311","0.004","90","","94.796","0.006","90","","1628.1","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O3 Sn -","- C37 H41 N O3 Sn -","- C74 H82 N2 O6 Sn2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020166","5.4049","0.0019","8.413","0.003","17.658","0.006","90","","92.23","0.006","90","","802.3","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O2 S -","- C15 H20 N4 O2 S -","- C30 H40 N8 O4 S2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020167","8.87","0.002","5.2473","0.0014","21.735","0.006","90","","97.428","0.006","90","","1003.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020168","6.4713","0.0018","27.311","0.007","14.938","0.004","90","","90.22","0.005","90","","2640","1.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H68 Br2 N2 O10 -","- C54 H68 Br2 N2 O10 -","- C108 H136 Br4 N4 O20 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020174","7.623","0.003","6.294","0.003","15.896","0.006","90","","100.643","0.007","90","","749.6","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C30 H36 Br2 N2 O6 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020175","12.374","0.007","6.317","0.004","18.86","0.011","90","","94.881","0.01","90","","1468.8","1.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br N O5 -","- C30 H38 Br N O5 -","- C60 H76 Br2 N2 O10 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020187","5.697","0.001","14.758","0.015","18.239","0.011","90","","98.58","0.05","90","","1516.3","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 O7 S -","- C12 H22 O7 S -","- C48 H88 O28 S4 -","4","2","","Alibés, Ramón; Blanco, Pilar; Casas, Eva; Closa, Montserrat; de March, Pedro; Figueredo, Marta; Font, Josep; Sanfeliu, Elena; Alvarez-Larena, Angel","Asymmetric Synthesis of the Azabicyclic Core of the Stemona Alkaloids","Journal of Organic Chemistry","2005","70","","3157","3167","10.1021/jo047867q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020192","11.253","0.0014","6.0225","0.0007","14.1891","0.0018","90","","95.661","0.003","90","","956.9","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020194","15.6234","0.0013","10.6788","0.0009","18.9084","0.0016","90","","97.854","0.002","90","","3125.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","thiacyclophanes","","","- C37 H30 O2 S2 -","- C37 H30 O2 S2 -","- C148 H120 O8 S8 -","4","2","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020212","13.7526","0.0019","6.4876","0.0009","15.415","0.002","90","","91.779","0.003","90","","1374.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H37 F2 N O5 Si -","- C24 H37 F2 N O5 Si -","- C48 H74 F4 N2 O10 Si2 -","2","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020230","12.992","0.003","10.203","0.003","18.76","0.005","90","","100.518","0.0011","90","","2445","1.1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H42 N2 O4 -","- C24 H42 N2 O4 -","- C96 H168 N8 O16 -","4","2","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020253","11.2195","0.0011","7.181","0.0007","12.868","0.0013","90","","92.559","0.005","90","","1035.71","0.18","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O2 S2 -","- C21 H26 N2 O2 S2 -","- C42 H52 N4 O4 S4 -","2","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020273","6.1","0.007","7.694","0.009","21.66","0.02","90","","94.72","0.02","90","","1013.3","1.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020287","7.0009","0.0001","10.7663","0.0001","10.5139","0.0001","90","","98.276","0.001","90","","784.22","0.015","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 Si -","- C14 H21 N O4 Si -","- C28 H42 N2 O8 Si2 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020289","8.7304","0.0006","6.0986","0.0005","17.0394","0.0013","90","","99.65","0.003","90","","894.4","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Cl F3 N O4 -","- C16 H19 Cl F3 N O4 -","- C32 H38 Cl2 F6 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020296","8.2006","0.0016","5.99","0.0012","20.888","0.004","90","","100.704","0.003","90","","1008.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04218","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","","Craig R. Berry; Richard P. Hsung; Jennifer E. Antoline; Matthew E. Petersen; Rameshkumar Challeppan; Jessica A. Nielson","","Journal of Organic Chemistry","2005","70","","4038","4042","10.1021/jo0503411","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020298","6.277","0.005","10.693","0.009","14.43","0.02","89.34","0.04","79.55","0.06","89.99","0.04","952.6","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C44 H46 Br2 O8 -","2","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020301","8.5126","0.0002","13.0434","0.0003","10.3263","0.0003","90","","111.545","0.001","90","","1066.45","0.05","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl3 N2 O3 -","- C21 H23 Cl3 N2 O3 -","- C42 H46 Cl6 N4 O6 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020306","8.849","0.0002","7.7644","0.0003","18.7321","0.0007","90","","103.497","0.002","90","","1251.48","0.07","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O6 S -","- C28 H32 N2 O6 S -","- C56 H64 N4 O12 S2 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020308","8.5188","0.0007","8.1021","0.0008","17.7649","0.0013","90","","98.111","0.007","90","","1213.87","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 N0 O5 Si -","- C20 H38 O5 Si -","- C40 H76 O10 Si2 -","2","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020311","12.369","0.004","10.857","0.004","13.911","0.005","90","","113.917","0.005","90","","1707.7","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 Cl Cu N2 -","- C15 H24 Cl Cu N2 -","- C60 H96 Cl4 Cu4 N8 -","4","2","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020348","12.6291","0.0015","5.2257","0.0006","14.0074","0.0016","90","","113.694","0.0019","90","","846.5","0.17","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C52 H24 F8 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020353","7.3906","0.0005","12.5141","0.0009","18.0913","0.0012","90","","98.244","0.002","90","","1655.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C72 H80 N8 O4 S4 -","4","2","","James C. Anderson; Gareth P. Howell; Ron M. Lawrence; Claire S. Wilson","","Journal of Organic Chemistry","2005","70","","5665","5670","10.1021/jo050762i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020357","15.2205","0.0013","6.8785","0.0005","18.554","0.0017","90","","108.506","0.001","90","","1842.1","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","2","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020358","9.4604","0.0015","9.2409","0.0015","14.71","0.002","90","","95.02","0.02","90","","1281.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Maurizio Benaglia; Tiziana Benincori; Patrizia Mussini; Tullio Pilati; Simona Rizzo; Franco Sannicolò","Steric and Electronic Tuning of Chiral Bis(oxazoline) Ligands with 3,3'-Bithiophene Backbone","Journal of Organic Chemistry","2005","70","","7488","7495","10.1021/jo050267m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020365","10.4273","0.0002","9.251","0.0002","11.9107","0.0002","90","","98.884","0.001","90","","1135.16","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","2","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020367","5.924","0.0002","14.236","0.0003","7.727","0.0006","90","","102.184","0.002","90","","636.97","0.06","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 N4 -","- C13 H24 N4 -","- C26 H48 N8 -","2","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020374","5.6269","0.0006","36.295","0.004","7.6556","0.0009","90","","90.712","0.004","90","","1563.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Jonathan D. Toker; Martin R. Tremblay; Jari Yli-Kauhaluoma; Anita D. Wentworth; Bin Zhou; Paul Wentworth, Jr.; Kim D. Janda","Exploring the Scope of the 29G12 Antibody Catalyzed 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2005","70","","7810","7815","10.1021/jo050410b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020413","9.0037","0.0004","23.3605","0.001","10.2352","0.0005","90","","105.384","0.001","90","","2075.64","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C108 H96 Fe4 N8 -","4","2","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020425","5.9105","0.0005","9.4071","0.0008","27.0869","0.0019","90","","94.813","0.007","90","","1500.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O5 S2 -","- C31 H38 N2 O5 S2 -","- C62 H76 N4 O10 S4 -","2","1","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020430","10.464","0.004","10.343","0.003","10.866","0.006","90","","93.45","0.04","90","","1173.9","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020432","10.9502","0.0002","9.038","0.0002","11.4961","0.0002","90","","91.385","0.001","90","","1137.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020433","12.445","0.003","10.28","0.003","12.701","0.003","90","","111","0.02","90","","1517","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H45 N O3 Si -","- C29.982 H45 N O3 Si -","- C59.964 H90 N2 O6 Si2 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020435","5.7176","0.0009","10.4131","0.0015","17.571","0.003","90","","96.229","0.013","90","","1040","0.3","296","2","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 O8 P -","- C18 H25 O8 P -","- C36 H50 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Mario Sánchez; Angel Clara-Sosa; Sylvain Bèrnes; Leticia Quintero; Fernando Sartillo-Piscil","Intramolecular Hydrogen Bonding (P=O‒H) Stabilizes the Chair Conformation of Six-Membered Ring Phosphates","Journal of Organic Chemistry","2005","70","","7107","7113","10.1021/jo050753+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020442","13.427","0.003","20.167","0.004","13.818","0.003","90","","112.033","0.004","90","","3468.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H99 Cl4 Na O16 -","- C66.007 H98 Cl4 Na O16 -","- C132.014 H196 Cl8 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020446","11.699","0.008","17.054","0.01","14.58","0.009","90","","107.79","0.016","90","","2770","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C120 H132 N4 O12 Si4 -","4","2","","Cristóbal de los Ríos; Louis S. Hegedus","","Journal of Organic Chemistry","2005","70","","6541","6543","10.1021/jo050813b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020450","11.937","0.002","7.5972","0.0009","16.739","0.002","90","","110.521","0.005","90","","1421.7","0.3","110","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 O5 S -","- C32 H35 N3 O5 S -","- C64 H70 N6 O10 S2 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020473","9.2284","0.0016","8.5326","0.0014","10.1189","0.0016","90","","116.292","0.004","90","","714.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Chad D. Hopkins; Lisa Guan; Helena C. Malinakova","Regiocontrolled, Palladium-Catylized Bisfuntionalization of Allenyl Esters. Multi-Component Coupling Approaches to Highly Substituted α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2005","70","","6848","6862","10.1021/jo050886v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020475","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","823","1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020477","14.3118","0.0012","7.8572","0.0007","14.4216","0.0012","90","","114.959","0.002","90","","1470.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 Cl3 O8 Si -","- C27 H33 Cl3 O8 Si -","- C54 H66 Cl6 O16 Si2 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020485","8.9367","0.0007","5.8108","0.0004","19.5331","0.0015","90","","92.8","0.002","90","","1013.13","0.13","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C54 H46 N2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020486","12.8987","0.0009","15.5092","0.001","13.2871","0.0009","90","","115.029","0.003","90","","2408.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O5 S -","- C27 H26 N2 O5 S -","- C108 H104 N8 O20 S4 -","4","2","","Cody Timmons; Li Guo; Junying Liu; John F. Cannon; Guigen Li","Asymmetric Halo-Mannich-Type Reaction Provides Access to Pyrrolidines and -Proline Derivatives","Journal of Organic Chemistry","2005","70","","7634","7639","10.1021/jo0509051","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020498","5.6118","0.0019","16.53","0.006","9.846","0.003","90","","98.642","0.006","90","","903","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020511","9.1952","0.0011","6.1777","0.0008","15.0039","0.0018","90","","93.846","0.002","90","","850.38","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","C. V. Ramana; Burgula Srinivas; Vedavati G. Puranik; Mukund K. Gurjar","A Carbohydrate-Based Approach for the Total Synthesis of 1,3-Polyol/α-Pyrone Antifungal Natural Products","Journal of Organic Chemistry","2005","70","","8216","8219","10.1021/jo050972v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020538","7.11","0.004","10.412","0.008","9.457","0.006","90","","110.29","0.05","90","","656.6","0.7","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 11","","","- C11 H15 N O4 S -","- C11 H14 N O4 S -","- C22 H28 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020539","13.754","0.004","8.069","0.002","8.041","0.0019","90","","99.81","0.02","90","","879.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 14","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C36 H42 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020542","5.9478","0.0012","8.3754","0.0017","17.855","0.004","90","","97.62","0.03","90","","881.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 S -","- C19 H28 O2 S -","- C38 H56 O4 S2 -","2","1","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020551","5.137","0.008","9.703","0.003","22.133","0.008","90","","90.55","0.07","90","","1103.2","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020559","8.3751","0.0008","17.175","0.002","10.4335","0.0011","90","","116.652","0.004","90","","1341.3","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N3 O4 -","- C33 H31 N3 O4 -","- C66 H62 N6 O8 -","2","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020569","10.014","0.008","8.875","0.007","12.341","0.009","90","","90.569","0.013","90","","1096.8","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","jrc1281m","","","- C24 H22 F N O5 -","- C24 H22 F N O5 -","- C48 H44 F2 N2 O10 -","2","1","","Lushi Tan; Nobuyoshi Yasuda; Naoki Yoshikawa; Frederick W. Hartner; Kan Kaung Eng; William R. Leonard; Fuh-Rong Tsay; Ralph P. Volante; Richard D. Tillyer","Stereoselective Syntheses of Highly Functionalized Bicyclo[3.1.0]hexanes: A General Methodology for the Synthesis of Potent and Selective mGluR2/3 Agonists","Journal of Organic Chemistry","2005","70","","8027","8034","10.1021/jo0511187","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020571","13.948","0.005","11.955","0.005","14.073","0.006","90","","95.826","0.009","90","","2334.5","1.6","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C88 H132 N4 O24 S4 -","4","2","","Indrajit Das; Tanmaya Pathak; Cheravakkattu G. Suresh","A Diastereoselective and General Route to 5-Amino-5-deoxysugars: Influence of C-3 Substitution on the Addition of Amines to C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates","Journal of Organic Chemistry","2005","70","","8047","8054","10.1021/jo051143c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020583","6.436","0.003","3.8375","0.0012","12.878","0.004","90","","104.65","0.03","90","","307.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C12 H8 Br2 N2 O2 -","2","1","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020590","15.0425","0.0009","18.9412","0.0011","23.4689","0.0014","90","","90.167","0.002","90","","6686.8","0.7","273","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 O5 Si -","- C2.47273 H3.63636 O0.363636 Si0.0727273 -","- C272 H400 O40 Si8 -","110","55","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020597","8.044","0.002","8.412","0.002","13.015","0.003","90","","92.62","0.03","90","","879.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C34 H42 N2 O10 S2 -","2","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0406","","","0.1142","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020602","7.687","0.007","7.876","0.002","16.673","0.003","90","0.02","90","0.04","90","0.04","1009.4","1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C42 H46 N2 O16 -","2","1","","Yanmei Dong; Rui Li; Jun Lu; Xuenong Xu; Xinyan Wang; Yuefei Hu","An Efficient Kinetic Resolution of Racemic Betti Base Based on an Enantioselective N,O-Deketalization","Journal of Organic Chemistry","2005","70","","8617","8620","10.1021/jo051328j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020637","5.589","0.002","9.069","0.004","11.255","0.004","90","","92.84","0.03","90","","569.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C24 H22 Br2 O4 -","2","1","","Weiqing Yang; Deju Shang; Yanling Liu; Ying Du; Xiaoming Feng","Highly Enantioselective Synthesis of 2,6-Disubstituted and 2,2,6-Trisubstituted Dihydropyrones: A One-Step Synthesis of (R)-(+)-Hepialone and Its Analogues","Journal of Organic Chemistry","2005","70","","8533","8537","10.1021/jo051458s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020649","7.096","0.0006","9.3289","0.0007","17.3403","0.0014","90","","94.526","0.002","90","","1144.31","0.16","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 F3 N3 O3 S -","- C21 H30 F3 N3 O3 S -","- C42 H60 F6 N6 O6 S2 -","2","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020655","11.61","0.0003","7.5434","0.0002","12.8521","0.0003","90","","104.621","0.002","90","","1089.12","0.05","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl3 F N2 O4 -","- C21 H18 Cl3 F N2 O4 -","- C42 H36 Cl6 F2 N4 O8 -","2","1","","Hartmut Schirok; Cristina Alonso-Alija; Jordi Benet-Buchholz; Andreas H. Göller; Rolf Grosser; Martin Michels; Holger Paulsen","Efficient Regioselective Synthesis of 6-Amino-5-benzoyl-1-Substituted 2(1H)-Pyridinones","Journal of Organic Chemistry","2005","70","","9463","9469","10.1021/jo0515428","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020683","12.43","0.002","5.3168","0.001","12.926","0.002","90","","106.652","0.004","90","","818.4","0.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Jorge García-Fortanet; Juan Murga; Eva Falomir; Miguel Carda; J. Alberto Marco","Stereoselective Total Synthesis and Absolute Configuration of the Natural Decanolides (-)-Microcarpalide and (+)-Lethaloxin. Identity of (+)-Lethaloxin and (+)-Pinolidoxin","Journal of Organic Chemistry","2005","70","","9822","9827","10.1021/jo051353p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020688","10.3524","0.0002","9.7016","0.0002","31.2564","0.0005","90","","94.7012","0.0005","90","","3128.7","","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O9 S2 -","- C16 H24 O9 S2 -","- C96 H144 O54 S12 -","6","3","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020698","9.921","0.005","27.47","0.01","10.021","0.005","90","","118.67","0.05","90","","2396","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O5 -","- C27 H29 N O5 -","- C108 H116 N4 O20 -","4","2","","Jean-François Poisson; Arturo Orellana; Andrew E. Greene","Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline","Journal of Organic Chemistry","2005","70","","10860","10863","10.1021/jo051508t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020701","14.599","0.005","6.156","0.002","18","0.007","90","","106.209","0.007","90","","1553.5","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O6 -","- C34 H48 O6 -","- C68 H96 O12 -","2","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020703","6.16","0.0012","12.062","0.002","19.348","0.004","90","","93.85","0.03","90","","1434.3","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C60 H96 O12 -","2","1","","Zihao Hua; David A. Carcache; Yuan Tian; Yue-Ming Li; Samuel J. Danishefsky","The Synthesis and Preliminary Biological Evaluation of a Novel Steroid with Neurotrophic Activity: NGA0187","Journal of Organic Chemistry","2005","70","","9849","9856","10.1021/jo051556d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020704","8.403","0.003","14.622","0.006","9.752","0.004","90","","91.29","0.03","90","","1198","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 N4 O P -","- C28 H23 N4 O P -","- C56 H46 N8 O2 P2 -","2","1","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020705","8.4707","0.0002","14.16","0.0003","23.7508","0.0007","90","","97.37","0.005","90","","2825.3","0.1","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","1","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020719","5.9017","0.0001","8.0644","0.0006","13.7216","0.0005","90","","94.785","0.002","90","","650.79","0.06","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020750","9.37","0.02","6.782","0.003","15.72","0.03","90","","106.44","0.09","90","","958","3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C40 H42 N2 O16 -","2","1","","Dieter Enders; Achim Lenzen; Michael Backes; Carsten Janeck; Kelly Catlin; Marie-Isabelle Lannou; Jan Runsink; Gerhard Raabe","Asymmetric Total Synthesis of the 1-epi-Aglycon of the Cripowellins A and B","Journal of Organic Chemistry","2005","70","","10538","10551","10.1021/jo0518093","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020759","8.931","0.002","5.4806","0.0012","11.847","0.003","90","","110.988","0.004","90","","541.4","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020760","10.1869","0.0009","5.016","0.0005","10.8921","0.001","90","","102.478","0.002","90","","543.41","0.09","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020771","9.607","0.001","12.8255","0.0015","14.217","0.0012","90","","102.919","0.008","90","","1707.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N8 S2 -","- C32 H52 N8 S2 -","- C64 H104 N16 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020778","9.0063","0.0002","7.1259","0.0001","11.4408","0.0002","90","","110.754","0.001","90","","686.6","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020788","8.8898","0.0008","10.5671","0.0009","16.154","0.001","90","0.002","92.938","0.002","90.001","0.002","1515.5","0.2","293.2","","293.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 N3 O3 S -","- C36 H37 N3 O3 S -","- C72 H74 N6 O6 S2 -","2","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020798","5.9032","0.0004","15.6841","0.0012","12.9404","0.001","90","","100.906","0.003","90","","1176.47","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O11 S2 -","- C22 H24 O11 S2 -","- C44 H48 O22 S4 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020801","5.7909","0.0003","9.3699","0.0004","15.5907","0.0008","90","","95.641","0.002","90","","841.86","0.07","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020804","10.01","0.0003","6.249","0.0002","13.879","0.0005","90","","101.145","0.001","90","","851.79","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","cis-4-hydroxypiperidinone","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020805","6.188","0.0005","9.629","0.0008","14.732","0.0012","90","","98.87","0.004","90","","867.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","enol form of 4,6-dioxopipridine 4a","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020820","6.3253","0.0004","13.884","0.001","10.506","0.001","90","","91.63","0.005","90","","922.3","0.12","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O8 -","- C16 H24 N2 O8 -","- C32 H48 N4 O16 -","2","1","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020827","14.5229","0.0017","7.5825","0.0009","14.5426","0.0018","90","","96.375","0.002","90","","1591.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O8 Si -","- C33 H44 O8 Si -","- C66 H88 O16 Si2 -","2","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020830","5.0372","0.0012","23.824","0.005","9.899","0.002","90","","98.69","0.02","90","","1174.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0441","","","0.1163","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020834","10.115","0.0001","7.9411","0.0001","12.0742","0.0001","90","","109.922","0.001","90","","911.812","0.016","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","José Luis García Ruano; Carlos Alemparte","Synthesis and Dienophilic Behavior of (S)-2-Cyano-3-(p-tolylsulfinyl)-1,4-benzoquinone","Journal of Organic Chemistry","2004","69","","1405","1408","10.1021/jo035629+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020836","9.7224","0.0008","10.4293","0.0009","10.3489","0.0009","90","","104.695","0.002","90","","1015.03","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","I. Nageshwara Rao; Anima Boruah; S. Kiran Kumar; A. C. Kunwar; A. Sivalakshmi Devi; K. Vyas; Krishnan Ravikumar; Javed Iqbal","Synthesis and Conformational Studies of Novel Cyclic Peptides Constrained into a 3~10~ Helical Structure by a Heterochiral D-Pro-L-Pro Dipeptide Template","Journal of Organic Chemistry","2004","69","","2181","2184","10.1021/jo030282w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020841","8.271","0.002","7.096","0.002","15.278","0.003","90","","94.74","0.03","90","","893.6","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl N2 O -","- C20 H23 Cl N2 O -","- C40 H46 Cl2 N4 O2 -","2","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020844","6.827","0.002","13.885","0.003","8.545","0.003","90","","90.7","0.03","90","","809.9","0.4","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020847","9.7071","0.0019","15.745","0.003","12.423","0.003","90","","95.37","0.03","90","","1890.3","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 B N O7 S -","- C42 H38 B N O7 S -","- C84 H76 B2 N2 O14 S2 -","2","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020897","4.5856","0.001","14.54","0.003","10.52","0.002","90","","95.69","0.004","90","","698","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N3 O4 -","- C12 H21 N3 O4 -","- C24 H42 N6 O8 -","2","1","","D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé","Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers","Journal of Organic Chemistry","2004","69","","1716","1719","10.1021/jo035683q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020898","9.394","0.003","14.776","0.004","10.445","0.003","90","","107.214","0.006","90","","1384.9","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N3 O4 -","- C12 H21 N3 O4 -","- C48 H84 N12 O16 -","4","2","","D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé","Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers","Journal of Organic Chemistry","2004","69","","1716","1719","10.1021/jo035683q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020900","16.285","0.002","26.787","0.004","5.125","0.0006","90","","98.05","0.01","90","","2213.6","0.5","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 F2 N2 O3 -","- C21 H30 F2 N2 O3 -","- C84 H120 F8 N8 O12 -","4","2","","Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii","SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres","Journal of Organic Chemistry","2004","69","","1634","1645","10.1021/jo035709d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020917","9.561","0.0019","11.203","0.002","11.353","0.002","90","","94.61","0.03","90","","1212.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020921","13.8002","0.0017","6.3523","0.0007","13.4469","0.0018","90","","95.137","0.007","90","","1174.1","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020922","13.1235","0.0016","6.1476","0.0005","14.9542","0.0019","90","","100.931","0.006","90","","1184.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H39 N O3 -","- C26 H39 N O3 -","- C52 H78 N2 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020937","6.2201","0.0002","14.9367","0.0005","14.375","0.0005","90","","102.156","0.001","90","","1305.6","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","8(4)","","","- C24 H24 S6 -","- C24 H24 S6 -","- C48 H48 S12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020955","8.1676","0.0004","10.8642","0.0005","15.1032","0.0008","90","","98.682","0.002","90","","1324.82","0.11","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C60 H100 O6 -","2","1","","Bang Yeon Hwang; Bao-Ning Su; Heebyung Chai; Qiuwen Mi; Leonardus B. S. Kardono; Johar J. Afriastini; Soedarsono Riswan; Bernard D. Santarsiero; Andrew D. Mesecar; Robert Wild; Craig R. Fairchild; Gregory D. Vite; William C. Rose; Norman R. Farnsworth; Geoffrey A. Cordell; John M. Pezzuto; Steven M. Swanson; A. Douglas Kinghorn","Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris","Journal of Organic Chemistry","2004","69","","3350","3358","10.1021/jo040120f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020956","17.7406","0.0005","14.9259","0.0005","17.8418","0.0007","90","","111.377","0.001","90","","4399.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H44 Br2 O15 -","- C48 H44 Br2 O15 -","- C192 H176 Br8 O60 -","4","2","","Bang Yeon Hwang; Bao-Ning Su; Heebyung Chai; Qiuwen Mi; Leonardus B. S. Kardono; Johar J. Afriastini; Soedarsono Riswan; Bernard D. Santarsiero; Andrew D. Mesecar; Robert Wild; Craig R. Fairchild; Gregory D. Vite; William C. Rose; Norman R. Farnsworth; Geoffrey A. Cordell; John M. Pezzuto; Steven M. Swanson; A. Douglas Kinghorn","Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris","Journal of Organic Chemistry","2004","69","","3350","3358","10.1021/jo040120f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020970","7.2087","0.0008","9.4196","0.0007","16.7486","0.0013","90","","97.238","0.007","90","","1128.22","0.17","299","2","299","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 S Se -","- C24 H22 N2 O4 S Se -","- C48 H44 N4 O8 S2 Se2 -","2","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020990","9.1979","0.001","8.4141","0.0009","14.9124","0.0016","90","","91.129","0.002","90","","1153.9","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H18 Cl2 N4 Zn -","- C25 H18 Cl2 N4 Zn -","- C50 H36 Cl4 N8 Zn2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020991","8.8864","0.0008","8.7082","0.0008","15.6555","0.0014","90","","91.339","0.002","90","","1211.16","0.19","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl2 N4 Zn -","- C26 H24 Cl2 N4 Zn -","- C52 H48 Cl4 N8 Zn2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020998","5.3","0.001","8.545","0.003","15.757","0.006","90","","91.09","","90","","713.5","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020999","5.866","0.002","8.248","0.002","15.308","0.004","90","","98.84","","90","","731.9","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O3 -","- C16 H20 N O3 -","- C32 H40 N2 O6 -","2","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021001","9.438","0.002","12.063","0.0014","10.701","0.0009","90","","103.508","0.013","90","","1184.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N O P -","- C27 H30 N O P -","- C54 H60 N2 O2 P2 -","2","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.0387","","","0.097","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021019","12.507","0.003","16.748","0.003","13.978","0.003","90","","108.99","0.03","90","","2768.7","1","","","210","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H56 N8 O12 -","- C50 H56 N8 O12 -","- C100 H112 N16 O24 -","2","1","","Sigitas Stončius; Eugenius Butkus; Albinas Žilinskas; Krister Larsson; Lars Öhrströrn; Ulf Berg; Kenneth Wärnmark","Design and Synthesis of a C~2~Symmetric Self-Complementary Hydrogen-Bonding Cleft Molecule Based on the Bicyclo[3.3.1]nonane and 4-Oxo-5-azaindole Framework. Formation of Channels and Inclusion Complexes in the Solid State","Journal of Organic Chemistry","2004","69","","5196","5203","10.1021/jo035869p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021021","8.59","0.006","9.8059","0.0016","11.04","0.02","90","","107.36","0.09","90","","887.4","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C32 H50 N2 O12 -","2","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021022","9.964","0.004","9.92","0.005","11.17","0.003","90","","108.98","0.03","90","","1044","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021023","15.729","0.002","9.8732","0.0014","19.745","0.003","90","","101.117","0.002","90","","3008.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H78 N2 O6 P2 -","- C60 H72 O6 P2 -","- C120 H144 O12 P4 -","2","1","","Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud","Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide","Journal of Organic Chemistry","2004","69","","4031","4040","10.1021/jo040128p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021040","6.6752","0.0009","10.3589","0.001","8.709","0.0011","90","","91.698","0.016","90","","601.94","0.13","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C24 H28 O14 -","2","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021071","9.957","0.006","11.253","0.012","20.688","0.007","90","","102.23","0.05","90","","2265","3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O2 S2 -","- C25 H29 N O2 S2 -","- C100 H116 N4 O8 S8 -","4","2","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates","219295","2020-10-21","18:00:00",""
"4021076","8.904","0.004","11.174","0.006","9.58","0.005","90","","112.09","0.02","90","","883","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N2 O5 -","- C17 H19 Cl N2 O5 -","- C34 H38 Cl2 N4 O10 -","2","1","","Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett","Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662","Journal of Organic Chemistry","2004","69","","7875","7879","10.1021/jo048711t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021092","14.9308","0.001","22.3227","0.0016","19.4894","0.0013","90","","90.196","0.002","90","","6495.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O3 -","- C20 H27 I N2 O3 -","- C240 H324 I12 N24 O36 -","12","6","","Meihua Shen; Chaozhong Li","Asymmetric Iodolactamization Induced by Chiral Oxazolidine Auxiliary","Journal of Organic Chemistry","2004","69","","7906","7909","10.1021/jo0488006","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021117","10.355","0.002","10.513","0.002","21.439","0.005","90","","93.1","0.01","90","","2330.5","0.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H45 Cl4 N5 O18 -","- C39 H45 Cl4 N5 O18 -","- C78 H90 Cl8 N10 O36 -","2","1","","Robert S. Coleman; François-Xavier Felpin; Wei Chen","Mitomycin Synthetic Studies: Stereocontrolled and Convergent Synthesis of a Fully Elaborated Aziridinomitosane","Journal of Organic Chemistry","2004","69","","7309","7316","10.1021/jo048924i","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021125","9.23","0.005","7.452","0.003","18.389","0.009","90","","95.39","0.03","90","","1259.3","1","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C40 H60 N12 O32 -","4","2","","Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman","Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes","Journal of Organic Chemistry","2004","69","","6996","7003","10.1021/jo048975f","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021175","12.112","0.008","6.291","0.004","13.038","0.009","90","","98.248","0.009","90","","983.1","1.2","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol, (S)-2-(3-methylphenyl)propionic acid","","","- C23 H25 N O3 -","- C23 H24 N O3 -","- C46 H48 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021176","10.04","0.02","6.261","0.01","17.58","0.03","90","","95.48","0.02","90","","1100","3.4","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol, (S)-2-(4-isobutylphenyl)propionic acid","","","- C26 H31 N O3 -","- C26 H30 N O3 -","- C52 H60 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021177","12.81","0.02","6.099","0.007","12.65","0.01","90","","95.28","0.02","90","","984.1","1.7","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol,(S)-3-phenylbutyric acid","","","- C23 H25 N O3 -","- C23 H24 N O3 -","- C46 H48 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021186","11.2498","0.0012","16.1672","0.0017","11.379","0.0012","90","","92.273","0.002","90","","2068","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H43 F6 N3 P2 Pd -","- C47 H43 F6 N3 P2 Pd -","- C94 H86 F12 N6 P4 Pd2 -","2","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021197","7.941","0.004","7.367","0.004","13.372","0.006","90","0.1","97.4","0.04","90","0.2","775.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C32 H40 O6 S2 -","2","1","","Naoyoshi Maezaki; Hiroaki Sawamoto; Sachiko Yuyama; Ryoko Yoshigami; Tomoko Suzuki; Mayuko Izumi; Hirofumi Ohishi; Tetsuaki Tanaka","Asymmetric Intramolecular Michael Addition of α-Sulfinyl Vinylic Carbanion to Enoates","Journal of Organic Chemistry","2004","69","","6335","6340","10.1021/jo0492923","","","","","","","0.0734","","","0.2116","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021206","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.69","0.08","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021221","12.259","0.003","10.597","0.002","12.465","0.003","90","","93.697","0.001","90","","1615.9","0.6","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N O2 P Pd -","- C36 H32 Cl2 N O2 P Pd -","- C72 H64 Cl4 N2 O4 P2 Pd2 -","2","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021227","11.453","0.004","7.475","0.003","14.766","0.002","90","","105.35","0.02","90","","1219","0.7","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 Fe O4 -","- C28 H26 Fe O4 -","- C56 H52 Fe2 O8 -","2","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021228","11.342","0.001","8.556","0.001","11.415","0.001","90","","70.701","0.005","90","","1045.6","0.2","108.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Fe N O2 -","- C26 H25 Fe N O2 -","- C52 H50 Fe2 N2 O4 -","2","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021243","11.274","0.007","16.489","0.008","11.217","0.005","90","","90","","90","","2085","2","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 N O2 P -","- C24 N O2 P -","- C96 N4 O8 P4 -","4","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021258","5.525","0.0002","30.929","0.0013","8.114","0.0004","90","","95.724","0.002","90","","1379.63","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Masakazu Atobe; Naoki Yamazaki; Chihiro Kibayashi","Enantioselective Synthesis of Primary 1-(Aryl)alkylamines by Nucleophilic 1,2-Addition of Organolithium Reagents to Hydroxyoxime Ethers and Application to Asymmetric Synthesis of G-Protein-Coupled Receptor Ligands","Journal of Organic Chemistry","2004","69","","5595","5607","10.1021/jo049517+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021274","9.99","0.01","11.47","0.01","13.073","0.005","90","","108.77","0.04","90","","1417","2","295.2","","295.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 O4 S2 -","- C30 H38 O4 S2 -","- C60 H76 O8 S4 -","2","1","","Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy","Probing the Formation of Bicyclo[4.2.0]octan-1-ols","Journal of Organic Chemistry","2004","69","","5690","5698","10.1021/jo049576n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021278","11.6887","0.0017","4.4071","0.0007","12.1232","0.0018","90","","110.23","0.002","90","","585.98","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H8 Br I O Se -","- C9 H8 Br I O Se -","- C18 H16 Br2 I2 O2 Se2 -","2","1","","Shengming Ma; Xueshi Hao; Xiaofeng Meng; Xian Huang","Studies on the Regio- and Stereoselectivity of Halohydroxylation of 1,2-Allenyl Sulfides or Selenides","Journal of Organic Chemistry","2004","69","","5720","5724","10.1021/jo049593c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021282","11.0767","0.0019","20.018","0.004","19.139","0.003","90","","94.683","0.003","90","","4229.6","1.3","125","0.1","125","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C80 H92 B2 Cl8 F8 O6 P4 Rh2 -","- C80 H92 B2 Cl8 F8 O6 P4 Rh2 -","- C160 H184 B4 Cl16 F16 O12 P8 Rh4 -","2","1","","Mohamed Aghmiz; Ali Aghmiz; Yolanda Díaz; Anna Masdeu-Bultó; Carmen Claver; Sergio Castillón","C~2~-Symmetric Diphosphinite Ligands Derived from Carbohydrates. The Strong Influence of Remote Stereocenters on Asymmetric Rhodium-Catalyzed Hydrogenation","Journal of Organic Chemistry","2004","69","","7502","7510","10.1021/jo0496502","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021289","7.908","0.004","5.891","0.003","14.029","0.007","90","","95.691","0.008","90","","650.2","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C28 H38 N6 -","2","1","","Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro","Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols","Journal of Organic Chemistry","2004","69","","5124","5127","10.1021/jo049677l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021295","16.7104","0.0003","6.4424","0.0001","17.8094","0.0004","90","","110.457","0.002","90","","1796.36","0.06","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C80 H104 N8 -","4","2","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021299","10.7577","0.0012","7.8092","0.0009","12.4883","0.0015","90","","104.674","0.003","90","","1014.9","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O4 S2 -","- C18.984 H24 N2 O4 S2 -","- C37.968 H48 N4 O8 S4 -","2","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021300","9.444","0.004","8.678","0.003","15.389","0.006","90","","102.142","0.009","90","","1233","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C44 H56 N4 O12 S4 -","2","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021319","10.9559","0.0001","11.1704","0.0001","11.6369","0.0001","90","","106.512","0.0005","90","","1365.41","0.02","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 N O2 Si -","- C28 H47 N O2 Si -","- C56 H94 N2 O4 Si2 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Raquel Pazos; José M. Odriozola; Patricia Bañuelos; Mónica Tello; Anthony Linden","A Practical Total Synthesis of Hapalosin, a 12-Membered Cyclic Depsipeptide with Multidrug Resistance-Reversing Activity, by Employing Improved Segment Coupling and Macrolactonization","Journal of Organic Chemistry","2004","69","","4126","4134","10.1021/jo0497499","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021320","10.8587","0.0006","7.3037","0.0005","15.806","0.0012","90","","94.087","0.002","90","","1250.36","0.15","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H45 N O3 Si -","- C23 H45 N O3 Si -","- C46 H90 N2 O6 Si2 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Raquel Pazos; José M. Odriozola; Patricia Bañuelos; Mónica Tello; Anthony Linden","A Practical Total Synthesis of Hapalosin, a 12-Membered Cyclic Depsipeptide with Multidrug Resistance-Reversing Activity, by Employing Improved Segment Coupling and Macrolactonization","Journal of Organic Chemistry","2004","69","","4126","4134","10.1021/jo0497499","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021350","7.9161","0.0007","14.7653","0.0013","14.1615","0.0013","90","","97.593","0.002","90","","1640.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(2S,3S methyl), 2-[2'-benzyloxy-1'R-tert-butyl silyloxyl)ethyl]pentanoyl] borane-10,2-sultam","","- C31 H51 N O5 S Si -","- C31 H51 N O5 S Si -","- C62 H102 N2 O10 S2 Si2 -","2","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0523","0.0469","","","0.1108","0.1149","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021352","11.1859","0.0009","18.5274","0.0015","12.1749","0.001","90","","103.256","0.001","90","","2456","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(2R)-2-[2'-benzyloxy-1'R-hydroxy)ethy]pentanoyl]borane-10,2-sultam","","- C24 H35 N O5 S -","- C24 H35 N O5 S -","- C96 H140 N4 O20 S4 -","4","2","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0832","0.0577","","","0.1463","0.1703","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021384","34.413","0.005","8.5331","0.0012","10.0467","0.0015","90","","90.13","0.02","90","","2950.2","0.8","87","2","87","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H41 Br O4 -","- C33 H41 Br O4 -","- C132 H164 Br4 O16 -","4","2","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0925","0.0861","","","0.2279","0.2331","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021400","12.567","0.0012","6.515","0.0005","12.509","0.002","90","","111.143","0.004","90","","955.2","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-(o-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C17 H24 N O3 P S -","- C17 H24 N O3 P S -","- C34 H48 N2 O6 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.049","","","","0.071","","","","","","0.679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021406","14.562","0.004","6.387","0.001","21.495","0.009","90","","100.58","0.001","90","","1965.2","1.1","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-1-phenylethylammonium_(Rp)-O-phenyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C80 H88 N4 O8 P4 S4 -","4","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.044","","","","0.048","","","","","","0.506","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021407","12.819","0.0013","6.417","0.0006","14.091","0.002","90","","112","0","90","","1074.7","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-phenylethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C40 H44 N2 O4 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.091","","","","0.122","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021409","8.006","0.0005","11.195","0.0008","13.082","0.0011","90","","100.242","0.003","90","","1153.82","0.15","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C22 H27 Br N2 O5 -","- C22 H27 Br N2 O5 -","- C44 H54 Br2 N4 O10 -","2","1","","Shoko Yamazaki; Yuko Iwata","Catalytic Enantioselective Friedel-Crafts/Michael Addition Reactions of Indoles to Ethenetricarboxylates","Journal of Organic Chemistry","2006","71","","739","743","10.1021/jo052041p","","","0.71073","MoKα","","0.0542","0.0478","","","0.1279","0.1351","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021424","6.1725","0.0007","8.6279","0.0017","18.2294","0.0022","90","","95.813","0.009","90","","965.83","0.25","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C40 H38 N6 O12 -","2","1","","Shun-Yuan Luo; Suvarn S. Kulkarni; Chien-Hung Chou; Wei-Meen Liao; Shang-Cheng Hung","A Concise Synthesis of Tetrahydroxy-LCB, α-Galactosyl Ceramide, and 1,4-Dideoxy-1,4-imino-L-ribitol via D-Allosamines as Key Building Blocks","Journal of Organic Chemistry","2006","71","","1226","1229","10.1021/jo051518u","","","0.7093","MolybdenumKα","","0.076","0.034","","0.038","0.034","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021426","8.5613","0.0002","15.6149","0.0004","12.0541","0.0003","90","","92.2023","0.0015","90","","1610.25","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","","- C35 H38 N2 O4 S2 Sn -","- C35 H38 N2 O4 S2 Sn -","- C70 H76 N4 O8 S4 Sn2 -","2","1","","Patchanita Thamyongkit; Anil D. Bhise; Masahiko Taniguchi; Jonathan S. Lindsey","Alkylthio Unit as an α-Pyrrole Protecting Group for Use in Dipyrromethane Synthesis","Journal of Organic Chemistry","2006","71","","903","910","10.1021/jo051806q","","","0.71073","MolybdenumKα","","0.039","0.03","","0.034","0.025","","","","","1.03","1.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021450","10.601","0.004","26.402","0.009","15.586","0.006","90","","93.145","0.006","90","","4356","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H127 N2 O53.5 -","- C62 H94 N2 O53.5 -","- C124 H188 N4 O107 -","2","1","","Zhi Fan; Chun-Hua Diao; Hai-Bin Song; Zuo-Liang Jing; Ming Yu; Xin Chen; Min-Jie Guo","Encapsulation of Quinine by β-Cyclodextrin: Excellent Model for Mimicking Enzyme-Substrate Interactions","Journal of Organic Chemistry","2006","71","","1244","1246","10.1021/jo052183j","","","0.71073","MoKα","","0.116","0.0715","","","0.1745","0.2075","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021473","15.104","0.0004","6.16","0.0002","16.064","0.0005","90","","117.063","0.001","90","","1330.96","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 S2 -","- C27 H30 N2 O5 S2 -","- C54 H60 N4 O10 S4 -","2","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0865","0.0551","","","0.1245","0.1416","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021495","6.624","0.002","8.063","0.003","12.29","0.005","90","","96.189","0.006","90","","652.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C26 H46 Br2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0331","0.0267","","","0.0555","0.0571","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021496","6.516","0.004","8.084","0.005","12.148","0.008","90","","94.748","0.009","90","","637.7","0.7","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C26 H46 Cl2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0436","0.0321","","","0.0618","0.0647","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021500","6.3934","0.0005","9.9221","0.0008","28.137","0.002","90","","90","0.002","90","","1784.9","0.2","198","2","198","2","","","","","","","XS-IV-83R","5","P 1 21 1","P 2yb","4","Endo-Proline-phosphoramide(3,5-di-Me-Ph).","","","- C18 H28 N3 O P -","- C18 H28 N3 O P -","- C72 H112 N12 O4 P4 -","4","2","","Scott E. Denmark; Jiping Fu; Diane M. Coe; Xiping Su; Norman E. Pratt; Brian D. Griedel","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative and Mechanistic Studies with Monodentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1513","1522","10.1021/jo052202p","","","0.71073","MoKα","","0.2487","0.1163","","0.2304","0.1652","","","","1.2","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021502","9.3773","0.0009","28.293","0.003","10.4971","0.0011","90","","93.167","0.002","90","","2780.8","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O6 S2 -","- C30 H29 N O6 S2 -","- C120 H116 N4 O24 S8 -","4","2","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.1369","0.0486","","","0.0851","0.1067","","","","","","0.978","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021508","11.188","0.003","6.3507","0.0015","16.177","0.004","90","","103.011","0.004","90","","1119.8","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.1614","0.0939","","","0.2159","0.2654","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021523","8.579","0.006","6.023","0.004","13.59","0.009","90","","96.762","0.011","90","","697.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","trans-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aR)-1a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0878","0.0739","","","0.1874","0.1931","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021537","9.2415","0.0008","11.7262","0.001","11.7251","0.001","90","","110.305","0.001","90","","1191.66","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04208a","(3-[3R-Benzyl-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-ylmethyl) -2-oxo-pyrrolidin-3-yl]-4S-phenyl-oxazolidin-2-one (15a)","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C54 H60 N4 O12 -","2","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0527","0.039","","","0.0881","0.0959","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021539","11.602","0.005","7.431","0.003","14.741","0.006","90","","97.244","0.009","90","","1260.7","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2'S,4a'S,7'R,8a'R)-1-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-2,2,2-trifluoro-1-(4- methoxyphenyl)ethanol.","","- C27 H34 F3 N O3 -","- C27 H34 F3 N O3 -","- C54 H68 F6 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0512","0.036","","","0.0938","0.1024","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021543","10.417","0.004","22.057","0.008","12.115","0.005","90","","90.138","0.011","90","","2783.6","1.8","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C96 H160 N16 O32 -","8","4","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.7107","MoKα","","0.0655","0.0602","","","0.1599","0.1661","","","","","","1.114","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021548","7.5263","0.0015","16.602","0.003","7.8093","0.0016","90","","98.89","0.03","90","","964.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0491","0.0429","","","0.1115","0.1166","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021573","10.5576","0.0002","16.3112","0.0005","10.9369","0.0003","90","","108.886","0.002","90","","1782.02","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 O P -","- C9 H11 O P -","- C72 H88 O8 P8 -","8","4","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0516","0.0402","","","0.0933","0.0984","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021585","7.9142","0.0006","15.37","0.0013","13.0993","0.0011","90","","99.019","0.002","90","","1573.7","0.2","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C70 H82 N2 O12 -","2","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0654","","","","0.1142","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021586","14.0513","0.0009","14.5754","0.0009","15.3593","0.0009","90","","113.306","0.001","90","","2889","0.3","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N O6 -","- C30 H39 N O6 -","- C120 H156 N4 O24 -","4","2","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0558","","","","0.1017","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021589","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021609","7.365","0.0015","12.969","0.003","9.831","0.002","90","","96.68","0.03","90","","932.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","","Dusan Hesek; Bruce C. Noll; Shahriar Mobashery","Side Reaction of Significance in Preparation of Peptide- or Peptidomimetic-Based Hydroxamate Enzyme Inhibitors","Journal of Organic Chemistry","2006","71","","2885","2887","10.1021/jo052546f","","","0.71073","MoKα","","0.0303","0.0301","","","0.0845","0.0849","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021617","12.4409","0.0002","6.8426","0.0001","19.0551","0.0003","90","","93.003","0.001","90","","1619.9","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C32 H43 N2 O9 P -","- C32 H43 N2 O9 P -","- C64 H86 N4 O18 P2 -","2","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54178","CuKα","","0.0707","0.0601","","","0.1449","0.1498","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021621","11.587","0.003","5.6641","0.0012","11.939","0.002","90","","96.922","0.004","90","","777.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 F3 O5 -","- C14 H17 F3 O5 -","- C28 H34 F6 O10 -","2","1","","Hua Wang; Xiaoming Zhao; Youhua Li; Long Lu","Asymmetric Synthesis of Four Isomers of 2-C-Trifluoromethylerythritol","Journal of Organic Chemistry","2006","71","","3278","3281","10.1021/jo052282x","","","0.71073","MoKα","","0.1372","0.0652","","","0.1564","0.2067","","","","","","0.772","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021622","7.3581","0.0007","6.781","0.0007","11.7266","0.0012","90","","102.121","0.005","90","","572.06","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","","Horacio F. Olivo; Ricardo Tovar-Miranda; Efraín Barragán","Synthesis of (-)-Stemoamide Using a Stereoselective anti-Aldol Step","Journal of Organic Chemistry","2006","71","","3287","3290","10.1021/jo052364l","","","0.71073","MoKα","","0.0512","0.0478","","","0.1223","0.1247","","","","","","1.257","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021663","8.4357","0.0019","18.756","0.004","9.093","0.002","90","","110.79","0.004","90","","1345","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 N O5 P S -","- C30 H28 N O5 P S -","- C60 H56 N2 O10 P2 S2 -","2","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0683","0.0546","","","0.1269","0.1357","","","","","","1.05","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021683","8.039","0.002","9.123","0.005","11.27","0.003","90","","96.06","0.02","90","","821.9","0.5","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.1214","0.0951","","","0.2396","0.2605","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021684","7.487","","8.4","","10.324","","90","","104.96","","90","","627.3","","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0653","0.0426","","","0.1141","0.1248","","","","","","1.042","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021687","7.4204","0.001","9.7672","0.0013","10.349","0.013","90","","105.788","0.011","90","","721.8","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C32 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0875","0.0534","","","0.1275","0.146","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021702","6.3331","0.0009","20.91","0.004","13.268","0.003","90","","103.735","0.006","90","","1706.8","0.6","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18.5 F3 N3 O8.25 -","- C13 H18.5 F3 N3 O8.25 -","- C52 H74 F12 N12 O33 -","4","2","","T. Santhosh Kumar; Andreas S. Madsen; Jesper Wengel; Patrick J. Hrdlicka","Synthesis and Hybridization Studies of 2'-Amino-α-L-LNA and Tetracyclic ""Locked LNA""","Journal of Organic Chemistry","2006","71","","4188","4201","10.1021/jo060331f","","","0.71073","MoKα","","0.1181","0.0899","","","0.2369","0.2551","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021708","5","0.001","9.13","0.002","10.483","0.003","90","","91.434","0.011","90","","478.4","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Paquette 1404","","","- C9 H18 O5 -","- C9 H18 O5 -","- C18 H36 O10 -","2","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0471","0.0389","","","0.0887","0.093","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021738","10.087","0.003","5.4955","0.0015","14.843","0.004","90","","97.321","0.015","90","","816.1","0.4","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C36 H60 O4 -","2","1","","Vikram C. Purohit; Robyn D. Richardson; Jeffrey W. Smith; Daniel Romo","Practical, Catalytic, Asymmetric Synthesis of β-Lactones via a Sequential Ketene Dimerization/Hydrogenation Process: Inhibitors of the Thioesterase Domain of Fatty Acid Synthase","Journal of Organic Chemistry","2006","71","","4549","4558","10.1021/jo060392d","","","1.54178","CuKα","","0.0964","0.0615","","","0.139","0.154","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021760","12.5066","0.0011","6.4952","0.0006","12.8842","0.0012","90","","116.588","0.002","90","","935.94","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C40 H42 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.0929","0.0402","","","0.07","0.0837","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021761","13.592","0.002","5.98","0.0009","13.892","0.002","90","","119.223","0.002","90","","985.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.152","0.0517","","","0.101","0.1264","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021763","8.938","0.005","9.571","0.004","9.327","0.005","90","","94.63","0.02","90","","795.3","0.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.05","","","","0.098","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021767","6.5552","0.0001","7.6732","0.0001","12.5769","0.0002","90","","98.603","0.001","90","","625.492","0.016","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H15 N -","- C16 H15 N -","- C32 H30 N2 -","2","1","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.0588","0.0397","","","0.0908","0.1136","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021782","8.2329","0.0011","12.4797","0.0016","20.963","0.003","90","","94.791","0.005","90","","2146.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H55 N3 O10 S -","- C44 H51 N3 O10 S -","- C88 H102 N6 O20 S2 -","2","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.1308","0.1045","","","0.2861","0.3196","","","","","","1.272","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021783","5.439","0.005","8.173","0.001","15.782","0.002","90","","92.39","0.003","90","","700.9","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-methyl-5-oxo-1-phenylhex-1-en-3-yl acetate","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0601","0.049","","","0.1231","0.1359","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021796","8.4065","0.0003","16.0349","0.0007","9.6956","0.0004","90","","91.027","0.001","90","","1306.73","0.09","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 Br2 N O6 -","- C27 H27 Br2 N O6 -","- C54 H54 Br4 N2 O12 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0254","0.0216","","","0.0467","0.0474","","","","","","0.985","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021799","10.788","0.0002","9.0472","0.0002","11.5689","0.0002","90","","94.443","0.001","90","","1125.75","0.04","90","2","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 Br2 O5 -","- C24 H22 Br2 O5 -","- C48 H44 Br4 O10 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0508","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021801","9.4056","0.0008","9.2688","0.0009","19.5943","0.0015","90","","93.333","0.003","90","","1705.3","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H36 Br N O8 -","- C39 H36 Br N O8 -","- C78 H72 Br2 N2 O16 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0489","0.0407","","","0.087","0.089","","","","","","1.265","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021806","11.579","0.002","7.248","0.0014","11.656","0.002","90","","103.7","0.03","90","","950.4","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H23 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.1465","0.1087","","","0.2648","0.3243","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021807","9.667","0.0019","10.054","0.002","12.664","0.003","90","","108.47","0.03","90","","1167.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 O11 -","- C18 H24 Cl2 O11 -","- C36 H48 Cl4 O22 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.0756","0.0737","","","0.1903","0.1946","","","","","","1.167","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021810","11.4799","0.0009","11.002","0.0008","13.6671","0.0011","90","","102.557","0.002","90","","1684.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 O4 Si2 -","- C32 H50 O4 Si2 -","- C64 H100 O8 Si4 -","2","1","","Paula Álvarez-Bercedo; Juan Murga; Miguel Carda; J. Alberto Marco","Stereoselective Synthesis of the Published Structure of Feigrisolide A. Structural Revision of Feigrisolides A and B","Journal of Organic Chemistry","2006","71","","5766","5769","10.1021/jo060314q","","","0.71073","MoKα","","0.1644","0.0601","","","0.0918","0.1196","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021840","8.4981","0.0012","8.948","0.0013","11.3983","0.0016","90","","109.065","0.002","90","","819.2","0.2","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Diisopropyl-4a,10a-dihydro-thianthrene","","- C18 H20 S2 -","- C18 H20 S2 -","- C36 H40 S4 -","2","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Ring Inversion Dynamics of Derivatives of Thianthrene Di- and Tetraoxide","Journal of Organic Chemistry","2006","71","","6248","6250","10.1021/jo0606610","","","0.71073","MoKα","","0.0413","0.0395","","","0.1061","0.1081","","","","","","1.064","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021862","7.3446","0.0002","10.1754","0.0003","16.0336","0.0005","90","","94.1618","0.0015","90","","1195.1","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N O8 -","- C23 H33 N O8 -","- C46 H66 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","","0.0346","","","","0.0399","","","","","","1.0484","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021863","7.4421","0.0003","6.2276","0.0003","23.7398","0.001","90","","98.6773","0.0013","90","","1087.66","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F3 N O8 -","- C20 H26 F3 N O8 -","- C40 H52 F6 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","0.0716","0.0611","","0.1633","0.1568","0.1568","","","","","","1.0975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021865","12.203","0.003","11.0105","0.0018","12.2933","0.0017","90","","98.444","0.013","90","","1633.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C60 H86 N2 O16 -","2","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0739","0.0564","","","0.1501","0.166","","","","","","1.023","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021877","13.2293","0.0004","4.8292","0.0001","15.8456","0.0004","90","","100.164","0.001","90","","996.44","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N4 O6 -","- C21 H20 N4 O6 -","- C42 H40 N8 O12 -","2","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0327","0.0305","","","0.0702","0.0714","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021888","11.63","0.0005","11.7664","0.0005","17.036","0.0008","90","","108.827","0.001","90","","2206.53","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C80 H128 N16 O16 -","4","2","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1579","0.0627","","","0.1551","0.1928","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021893","7.7042","0.0013","18.073","0.003","14.668","0.003","90","","98.44","0.004","90","","2020.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 B N O -","- C27 H20 B N O -","- C108 H80 B4 N4 O4 -","4","2","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1618","0.0435","","","0.0695","0.0898","","","","","","0.719","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021896","15.803","0.003","22.033","0.004","19.949","0.003","90","","103.148","0.004","90","","6763.9","1.9","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Zn4{(R)-3,3'-bis(Ph2P=O)-BINOLate}(m4-O)](CH2Cl2)3","","","- C135 H96 Cl6 O13 P6 Zn4 -","- C135 H96 Cl6 O13 P6 Zn4 -","- C270 H192 Cl12 O26 P12 Zn8 -","2","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1168","0.0709","","","0.1812","0.2066","","","","","","1.087","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021903","9.0546","0.001","23.673","0.002","14.153","0.002","90","","104.083","0.005","90","","2942.4","0.6","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C71 H72 Cl2 O8 -","- C71 H72 Cl2 O8 -","- C142 H144 Cl4 O16 -","2","1","","Kazunori Tsubaki; Hiroyuki Tanaka; Kazuto Takaishi; Masaya Miura; Hiroshi Morikawa; Takumi Furuta; Kiyoshi Tanaka; Kaoru Fuji; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata","Bottom-Up Synthesis of Optically Active Oligonaphthalenes: Three Different Pathways for Controlling Axial Chirality","Journal of Organic Chemistry","2006","71","","6579","6587","10.1021/jo060974v","","","0.7107","MoKα","","","0.054","","","","0.146","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021907","8.7767","0.0018","22.603","0.005","10.482","0.002","90","","90.287","0.003","90","","2079.3","0.7","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 B F N O -","- C24 H29 B F N O -","- C96 H116 B4 F4 N4 O4 -","4","2","","Peter Shapland; Edwin Vedejs","Isopinocampheylborane Derivatives with >99% ee via the DMAP Complex","Journal of Organic Chemistry","2006","71","","6666","6669","10.1021/jo061002q","","","0.71073","MoKα","","0.0661","0.0427","","","0.0861","0.0921","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021915","8.448","0.002","8.554","0.002","27.028","0.006","90","","90.982","0.007","90","","1952.9","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","Paquette 1473","","","- C19 H26 N4 O4 S -","- C19 H26 N4 O4 S -","- C76 H104 N16 O16 S4 -","4","2","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.051","0.0365","","","0.0705","0.0759","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021922","10.6031","0.0007","11.5144","0.0008","18.735","0.0013","90","","98.822","0.001","90","","2260.3","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H55 N O9 S -","- C48 H55 N O9 S -","- C96 H110 N2 O18 S2 -","2","1","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.0393","0.0371","","","0.1018","0.104","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021934","11.3709","0.0017","15.214","0.003","7.2459","0.0009","90","","90.484","0.011","90","","1253.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O S2 -","- C11 H13 N3 O S2 -","- C44 H52 N12 O4 S8 -","4","2","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0439","0.0397","","","0.1101","0.1133","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021942","9.3215","0.0002","10.8327","0.0002","13.7718","0.0002","90","","106.425","0.001","90","","1333.88","0.04","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O5 P -","- C24 H39 N2 O5 P -","- C48 H78 N4 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0425","0.0354","","","0.0939","0.0991","","","","","","1.046","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021943","6.0341","0.0001","6.6249","0.0002","16.5069","0.0005","90","","98.184","0.001","90","","653.15","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C22 H32 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0433","0.0366","","","0.0944","0.1061","","","","","","1.114","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021946","7.1087","0.0003","10.2928","0.0005","13.5073","0.0006","90","","99.401","0.002","90","","975.03","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 N O5 P -","- C15 H30 N O5 P -","- C30 H60 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.065","0.0442","","","0.0977","0.1088","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021954","12.3799","0.0005","24.2382","0.0012","21.2644","0.001","90","","101.707","0.005","90","","6248","0.5","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H98 Cl24 O15 P4 -","- C104 H98 Cl24 O15 P4 -","- C208 H196 Cl48 O30 P8 -","2","1","","Benoît Laleu; Gérald Bernardinelli; Remi Chauvin; Jérôme Lacour","Trimesitylmethylphosphonium Cation. Supramolecular Stereocontrol and Simple Enantiomerization Mechanism Determination","Journal of Organic Chemistry","2006","71","","7412","7416","10.1021/jo061097w","","","0.71073","MoKα","","","0.044","","","","0.042","","","","","","1.28","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021968","9.953","0.0015","6.9505","0.0011","11.7107","0.0018","90","","98.204","0.003","90","","801.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","0.71073","MoKα","","0.1525","0.0882","","","0.1548","0.1772","","","","","","1.004","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021974","9.7996","0.0013","7.6731","0.001","17.769","0.002","90","","100.095","0.002","90","","1315.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 Fe N O -","- C32 H37 Fe N O -","- C64 H74 Fe2 N2 O2 -","2","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0418","0.04","","","0.0976","0.0987","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021976","7.9231","0.0002","10.6847","0.0003","10.9859","0.0003","90","","100.571","0.001","90","","914.24","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0296","0.0288","","","0.0742","0.0751","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021977","6.3436","0.0001","7.2244","0.0001","18.0527","0.0002","90","","97.691","0.001","90","","819.889","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C38 H36 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0386","0.0381","","","0.1016","0.1021","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021978","12.1305","0.0004","9.08","0.0003","13.9003","0.0004","90","","90.887","0.002","90","","1530.86","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H35 N O5 -","- C36 H35 N O5 -","- C72 H70 N2 O10 -","2","1","","Gregory S. Coumbarides; Majid Motevalli; Warda A. Muse; Peter B. Wyatt","Stereoselective Synthesis of (E)-Mannosylidene Derivatives Using the Wittig Reaction","Journal of Organic Chemistry","2006","71","","7888","7891","10.1021/jo061178s","","","0.71073","MoKα","","0.0561","0.0449","","","0.1043","0.1098","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022010","8.384","0.004","20.291","0.005","6.443","0.004","90.29","0.02","112.06","0.03","89.876","0.009","1015.8","0.8","295.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N5 O7 -","- C18 H22 N5 O7 -","- C36 H44 N10 O14 -","2","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.7107","MoKα","","","0.0428","","","","0.0614","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022038","6.4818","0.0013","9.578","0.0019","8.9682","0.0018","90","","91.9","0.03","90","","556.47","0.19","243","2","243","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C24 H30 Cl2 O6 -","2","1","","Jollie D. Godfrey, Jr.; Rita T. Fox; Frederic G. Buono; Jack Z. Gougoutas; Mary F. Malley","Novel 1,4-Homofragmentation via an α-Lactone","Journal of Organic Chemistry","2006","71","","8647","8650","10.1021/jo0613380","","x-ray","1.54178","CuKα","","0.1001","0.0904","","","0.2235","0.243","","","","","","1.456","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022045","5.3217","0.0007","9.7758","0.0013","16.549","0.002","90","","92.897","0.002","90","","859.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Azasugar","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0746","0.0724","","","0.2217","0.2235","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022063","8.2606","0.0008","10.2738","0.001","16.721","0.0016","90","","97.719","0.002","90","","1406.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","06095","","","- C32 H32 Cl2 N2 O2 -","- C32 H32 Cl2 N2 O2 -","- C64 H64 Cl4 N4 O4 -","2","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.066","0.0484","","","0.1179","0.1326","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022068","14.736","0.001","5.811","0.001","15.376","0.002","90","","113.68","0.01","90","","1205.8","0.3","568","2","568","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-6-(p-Toluenesulfinyl)-3H-pyrrolizine","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","","Marian Mikołajczyk; Jerzy A. Krysiak; Wanda H. Midura; Michał W. Wieczorek; Ewa Róz̀ycka-Sokołowska","General Route to Racemic and Enantiomeric Carbo- and Heterocyclic Vinyl Sulfoxides via Tandem Michael Addition/Horner Olefination of α-Phosphorylvinyl Sulfoxides","Journal of Organic Chemistry","2006","71","","8818","8823","10.1021/jo061463b","","","1.5418","CuKα","","0.0506","0.0476","","","0.1279","0.1327","","","","","","1.06","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022071","7.549","0.002","21.693","0.005","10.004","0.002","90","","95.96","0.01","90","","1629.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0664","0.0493","","","0.1166","0.1272","","","","","","1.025","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022080","11.539","0.002","5.6179","0.0011","11.803","0.002","90","","111.051","0.004","90","","714.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C32 H46 N2 O2 -","2","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.1059","0.0517","","","0.059","0.0655","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022086","12.0009","0.0018","7.0164","0.001","12.796","0.002","90","","114.245","0.012","90","","982.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F2 N2 O6 -","- C20 H18 F2 N2 O6 -","- C40 H36 F4 N4 O12 -","2","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0406","0.0337","","","0.0834","0.0872","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022088","5.3533","0.0005","17.484","0.002","12.0785","0.0012","90","","100.109","0.008","90","","1113","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F2 N3 O3 -","- C10 H11 F2 N3 O3 -","- C40 H44 F8 N12 O12 -","4","2","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0615","0.053","","","0.1319","0.1376","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022101","10.494","0.004","6.123","0.002","10.705","0.004","90","","93.923","0.004","90","","686.3","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.0724","0.0575","","","0.1097","0.116","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022119","9.877","0.002","9.473","0.002","15.877","0.004","90","","90.741","0.004","90","","1485.5","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","2","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0503","0.0452","","","0.1164","0.1198","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022128","9.8452","0.0011","24.338","0.003","12.7573","0.0014","90","","90.164","0.003","90","","3056.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 Br2 Mn N4 -","- C30 H40 Br2 Mn N4 -","- C120 H160 Br8 Mn4 N16 -","4","2","","Xavier Sala; Anna M. Rodríguez; Montserrat Rodríguez; Isabel Romero; Teodor Parella; Alexander von Zelewsky; Antoni Llobet; Jordi Benet-Buchholz","New Synthetic Routes toward Enantiopure Nitrogen Donor Ligands","Journal of Organic Chemistry","2006","71","","9283","9290","10.1021/jo0612372","","","0.71073","MoKα","","0.0548","0.0484","","","0.1197","0.1239","","","","","","1.044","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022171","9.7869","0.0004","11.2474","0.0004","10.5714","0.0004","90","","102.571","0.002","90","","1135.78","0.08","150","2","150","2","","","","","","","synthetised","6","P 1 21 1","P 2yb","4","","(S~Fc~,S~S~,S)-2-(N-tosyl-1-aminoethyl)-1-t-butylsulfinylferrocene","","- C23 H29 Fe N O3 S2 -","- C23 H29 Fe N O3 S2 -","- C46 H58 Fe2 N2 O6 S4 -","2","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0581","0.0351","","","0.0849","0.1029","","","","","","1.081","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022194","10.3388","0.0014","5.1216","0.0014","15.23","0.004","90","","94.85","0.02","90","","803.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N4 O8 -","- C13 H18 N4 O8 -","- C26 H36 N8 O16 -","2","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0721","0.0617","","","0.1752","0.1848","","","","","","1.072","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022197","12.8271","0.0018","6.678","0.0007","15.6221","0.0018","90","","113.549","0.008","90","","1226.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl2 F3 N O3 -","- C23 H28 Cl2 F3 N O3 -","- C46 H56 Cl4 F6 N2 O6 -","2","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.063","0.048","","","0.1138","0.1212","","","","","","1.101","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022206","11.341","0.003","15.198","0.002","14.531","0.004","90","","99.82","0.02","90","","2467","1","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","?","- C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2 -","- C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.049","","","0.053","","","","","1.63","1.63","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022220","7.8074","0.0009","14.9746","0.0015","11.063","0.002","90","","103.89","0.001","90","","1255.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl4 N2 -","- C28 H20 Cl4 N2 -","- C56 H40 Cl8 N4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0472","0.0445","","","0.1069","0.1101","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022239","9.332","0.002","11.638","0.002","10.114","0.002","90","","106.22","0.03","90","","1054.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Fe P -","- C28 H23 Fe P -","- C56 H46 Fe2 P2 -","2","1","","Henriette Lodberg Pedersen; Mogens Johannsen","Synthesis and Application of Arylmonophosphinoferrocene Ligands: Ultrafast Asymmetric Hydrosilylation of Styrene","Journal of Organic Chemistry","2002","67","","7982","7994","10.1021/jo0257804","","","0.71073","MoKα","","0.0782","0.0496","","0.1138","0.1006","","","","1.014","1.023","1.023","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022245","6.72","0.002","28.366","0.009","9.655","0.003","90","","108.894","0.005","90","","1741","2","100","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H27 F2 N2 O3.5 S -","- C13 H27 F2 N2 O3.5 S -","- C52 H108 F8 N8 O14 S4 -","4","2","","Donnette D. Staas; Kelly L. Savage; Carl F. Homnick; Nancy N. Tsou; Richard G. Ball","Asymmetric Synthesis of α,α-Difluoro-β-amino Acid Derivatives from Enantiomerically Pure N-tert-Butylsulfinimines","Journal of Organic Chemistry","2002","67","","8276","8279","10.1021/jo0259313","","","0.71073","MoKα","","","0.043","","","0.091","0.105","","","","0.969","0.969","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022249","9.338","0.001","23.936","0.002","10.855","0.001","90","","96.51","0.002","90","","2410.6","0.4","156.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N6 O4 S -","- C20 H32 N6 O4 S -","- C80 H128 N24 O16 S4 -","4","2","","Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2002","67","","7819","7832","10.1021/jo025957u","","","0.7107","MoKα","","","0","","","","0.0283","","","","","","0.797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022262","9.037","0.003","10.391","0.006","10.441","0.004","90","","112.68","0.03","90","","904.6","0.7","296.2","","296.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H24 F3 N3 O5 Os -","- C13 H23 F3 N3 O5 Os -","- C26 H46 F6 N6 O10 Os2 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","0.7107","MoKα","","0.0516","0.0323","","0.0324","0.0276","","","","1.73","1.576","1.576","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022277","7.2889","0.0007","7.5705","0.0006","15.566","0.002","90","","96.4","0.4","90","","853.6","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Christophe Lucatelli; Florian Viton; Yves Gimbert; Andrew E. Greene","Synthesis of C-3' Methyl Taxotere (Docetaxel)","Journal of Organic Chemistry","2002","67","","9468","9470","10.1021/jo026460n","","","0.7107","MoKα","","0.0496","0.0496","","0.0664","","0.0664","","","1.903","","","1.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022290","9.009","0.002","12.086","0.002","9.979","0.002","90","","92.45","0.03","90","","1085.5","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 Fe O2 P -","- C28 H23 Fe O2 P -","- C56 H46 Fe2 O4 P2 -","2","1","","Jakob F. Jensen; Inger Søtofte; Henning O. Sørensen; Mogens Johannsen","Modular Approach to Novel Chiral Aryl-Ferrocenyl Phosphines by Suzuki Cross-Coupling","Journal of Organic Chemistry","2003","68","","1258","1265","10.1021/jo026250a","","","0.71073","MoKα","","0.0469","0.0392","","0.0935","0.0897","","","","1.043","1.057","1.057","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022301","6.4238","0.0008","9.6564","0.0012","21.1332","0.0025","90","","97.376","0.002","90","","1300.06","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","2","","Pankaj D. Rege; Francis Johnson","Application of Vicarious Nucleophilic Substitution to the Total Synthesis of dl-Physostigmine","Journal of Organic Chemistry","2003","68","","6133","6139","10.1021/jo026438u","","","","","","","","","","","","","","","","","","","","","has coordinates","278040","2022-09-21","12:30:29",""
"4022307","7.734","0.005","6.724","0.01","16.962","0.007","90","","91.22","0.04","90","","881.9","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,5R)-menthyl[(1R,4S,5S)-2-oxo-3-oxabicyclo[3.2.0]hept-6-en-4-yl] methyl carbonate","","- C18 H26 O5 -","- C18 H26 O5 -","- C36 H52 O10 -","2","1","","Ramon Alibés; Pedro de March; Marta Figueredo; Josep Font; Xiaolin Fu; Marta Racamonde; Ángel Álvarez-Larena; Juan F. Piniella","Photochemical [2 + 2] Cycloaddition of Acetylene to Chiral 2(5H)-Furanones","Journal of Organic Chemistry","2003","68","","1283","1289","10.1021/jo0264731","","","0.71069","MoKα","","0.0342","0.0309","","","0.0914","0.0926","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022309","5.993","0.005","19.071","0.005","12.063","0.005","90","0.005","96.13","0.005","90","0.005","1370.8","1.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O8 -","- C27 H40 O8 -","- C54 H80 O16 -","2","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.1384","0.0816","","","0.2042","0.2542","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022316","7.36","0.001","8.0568","0.0007","22.125","0.004","90","","98.12","0.01","90","","1298.8","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O5 -","- C28 H36 N2 O5 -","- C56 H72 N4 O10 -","2","1","","José M. Lassaletta; Juan Vázquez; Auxiliadora Prieto; Rosario Fernández; Gerhard Raabe; Dieter Enders","Asymmetric Synthesis of Succinic Semialdehyde Derivatives","Journal of Organic Chemistry","2003","68","","2698","2703","10.1021/jo026557+","","","1.54179","CuKα","","","0.063","","","","0.063","","","","","","1.479","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022329","8.0424","0.0001","6.0887","0.0001","13.8157","0.0002","90","","90.659","0.001","90","","676.479","0.017","100","","100","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C32 H32 O10 -","2","1","","Alois Fürstner; Anne-Sophie Castanet; Karin Radkowski; Christian W. Lehmann","Total Synthesis of (S)-(+)-Citreofuran by Ring Closing Alkyne Metathesis","Journal of Organic Chemistry","2003","68","","1521","1528","10.1021/jo026686q","","","0.71073","MoKα","","0.0617","0.0486","","","0.1125","0.1195","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022357","13.4385","","7.1053","","16.4827","","90","","107.8","","90","","1498.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 S -","- C31 H48 O6 S -","- C62 H96 O12 S2 -","2","1","","Andrés García-Granados; Pilar E. López; Enrique Melguizo; Juan N. Moliz; Andrés Parra; Yolanda Simeó; José A. Dobado","Epoxides, Cyclic Sulfites, and Sulfate from Natural Pentacyclic Triterpenoids: Theoretical Calculations and Chemical Transformations","Journal of Organic Chemistry","2003","68","","4833","4844","10.1021/jo026832s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022408","10.409","0.002","16.274","0.002","12.299","0.003","90","","101.256","0.009","90","","2043.3","0.6","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","trans,trans-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C104 H80 N16 -","4","2","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","1.5418","CuKα","","","0.0808","","","","0.2031","","","","","","1.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022413","9.6737","0.0019","11.448","0.005","10.401","0.002","90","","109.83","0.02","90","","1083.5","0.6","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Camphanic acid 3-Benzyl-2-oxo-hexahydro-cyclopentaoxazol-4-yl ester","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C46 H54 N2 O12 -","2","1","","Dae-Ro Ahn; Markus Mosimann; Christian J. Leumann","Synthesis of Cyclopentane Amide DNA (cpa-DNA) and Its Pairing Properties","Journal of Organic Chemistry","2003","68","","7693","7699","10.1021/jo034143q","","","1.54186","CuKα","","0.0354","0.0349","","","0.1039","0.1049","","","","","","0.785","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022473","8.986","0.001","9.522","0.001","14.42","0.001","90","0.002","90.139","0.002","90","0.002","1233.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,4R,9aR,9bS)-2,4-Diphenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0638","0.046","","","0.1138","0.1259","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022474","10.191","0.001","13.857","0.002","10.568","0.001","90","0.01","114.6","0.01","90","0.02","1356.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4aR,6R,7R-2-Oxo-7-phenyl-1-(R)-(1-phenyl-ethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic acid S-(1-phenyl-ethyl)-amide","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C64 H68 N4 O4 -","2","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0569","0.0547","","","0.1581","0.1629","","","","","","0.705","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022479","12.253","0.008","5.482","0.004","14.256","0.012","90","","112.583","0.013","90","","884.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 F2 O3 S -","- C19 H18 F2 O3 S -","- C38 H36 F4 O6 S2 -","2","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.0639","0.0458","","","0.112","0.1207","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022485","12.1452","0.0009","18.5478","0.0009","12.4433","0.0009","90","","95.324","0.009","90","","2791","0.4","180","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","9-(2,6-Dimethoxy-phenyl)-1,8-dimethoxy-10-(1,2,2-trimethyl-propyl)- 9,10-dihydro-acridinium tetrafluoroborate salt","","- C29 H34 B F4 N O4 -","- C29 H34 B F4 N O4 -","- C116 H136 B4 F16 N4 O16 -","4","2","","Benoît Laleu; Christelle Herse; Bo W. Laursen; Gérald Bernardinelli; Jérôme Lacour","Bent Structure and Dynamic Stereochemistry of Chiral Acridinium Cations","Journal of Organic Chemistry","2003","68","","6304","6308","10.1021/jo0345998","","","0.71073","MoKα","","","0.038","","","","0.037","","","","","","1.498","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022486","7.4281","0.0004","22.6402","0.001","9.3855","0.0006","90","","102.078","0.008","90","","1543.45","0.16","200","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","9-(2,6-Dimethoxy-phenyl)-1,8-dimethoxy-10-(2-trans-benzyloxy-cyclopentyl)- 9,10-dihydro-acridinium tetrafluoroborate salt","","- C35 H36 B F4 N O5 -","- C35 H36 B F4 N O5 -","- C70 H72 B2 F8 N2 O10 -","2","1","","Benoît Laleu; Christelle Herse; Bo W. Laursen; Gérald Bernardinelli; Jérôme Lacour","Bent Structure and Dynamic Stereochemistry of Chiral Acridinium Cations","Journal of Organic Chemistry","2003","68","","6304","6308","10.1021/jo0345998","","","0.71073","MoKα","","","0.033","","","","0.033","","","","","","1.67","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022501","5.9734","0.0001","17.1311","0.0004","9.0637","0.0002","90","","108.768","0.001","90","","878.18","0.03","200","","","","","","","","","","Local laboratory","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C36 H52 O14 -","2","1","","Martin G. Banwell; Alison J. Edwards; Michael Essers; Katrina A. Jolliffe","Conversion of (-)-3-Dehydroshikimic Acid into Derivatives of the (+)-Enantiomer","Journal of Organic Chemistry","2003","68","","6839","6841","10.1021/jo034689c","","","0.71073","MoKα","","","0.0299","","","","0.0354","","","","","","1.0511","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022525","9.4802","0.0005","19.4176","0.0011","26.1541","0.0016","90","","100.369","0.001","90","","4735.9","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H11 O2 P S Se -","- C9 H11 O2 P S Se -","- C144 H176 O32 P16 S16 Se16 -","16","8","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.1149","0.0432","","","0.0628","0.0712","","","","","","0.722","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022526","9.628","0.006","10.488","0.003","10.403","0.004","90","","115.45","0.04","90","","948.5","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.7093","MolybdenumKα","","0.107","0.047","","0.098","0.048","","","","","1.04","1.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022528","10.1762","0.0002","16.5343","0.0004","22.069","0.0007","90","","91.8689","0.0008","90","","3711.3","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","4","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.71073","MoKα","","0.085","0.056","","0.1","0.092","0.091","","","1.911","1.906","1.906","1.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022534","8.1159","0.0007","9.33","0.001","10.3661","0.0008","90","","97.6","0.008","90","","778","0.1","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Koji Miki; Kouichi Ohe; Sakae Uemura","Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids","Journal of Organic Chemistry","2003","68","","8505","8513","10.1021/jo034841a","","","0.7107","MoKα","","","0.042","","","","0.048","","","","","","3.433","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022543","6.5719","0.0006","9.6793","0.0005","10.2878","0.0005","90","","99.94","0.006","90","","644.6","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,4R) 3,4-O-isopropylidene-2-phenyl-tetrahydrofuran-3,4-diol","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C22 H36 O6 S4 -","2","1","","Jason L. McCartney; Christopher T. Meta; Robert M. Cicchillo; Matthew D. Bernardina; Timothy R. Wagner; Peter Norris","Addition of Lithiated C-Nucleophiles to 2,3-O-Isopropylidene-D-erythronolactone: Stereoselective Formation of a Furanose C-Disaccharide","Journal of Organic Chemistry","2003","68","","10152","10155","10.1021/jo0350256","","","1.54178","CuKα","","0.0309","0.0305","","","0.0791","0.08","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022567","11.1898","0.0006","10.3671","0.0006","12.3862","0.0007","90","","115.603","0.001","90","","1295.78","0.13","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 O5 S -","- C27 H38 O5 S -","- C54 H76 O10 S2 -","2","1","","Pierre Soucy; Alexandre L'Heureux; András Toró; Pierre Deslongchamps","Pyranophane Transannular Diels-Alder Approach to (+)-Chatancin: A Biomimetic Asymmetric Total Synthesis","Journal of Organic Chemistry","2003","68","","9983","9987","10.1021/jo035193y","","","0.71073","MoKα","","0.0257","0.0242","","","0.063","0.0641","","","","","","1.082","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022587","14.2464","0.0011","10.128","0.0007","19.6361","0.0016","90","","100.435","0.0019","90","","2786.4","0.4","113.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H88 O8 -","- C70 H68 O8 -","- C140 H136 O16 -","2","1","","Toshiaki Shimasaki; Shin-ichiro Kato; Keiko Ideta; Kenta Goto; Teruo Shinmyozu","Synthesis and Structural and Photoswitchable Properties of Novel Chiral Host Molecules: Axis Chiral 2,2'-Dihydroxy-1,1'-binaphthyl-Appended stiff-Stilbene","Journal of Organic Chemistry","2007","72","","1073","1087","10.1021/jo061127v","","","0.7107","MoKα","","","0.0722","","","","0.2043","","","","","","0.974","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022588","11.073","0.003","6.2528","0.0019","13.753","0.005","90","","96.555","0.014","90","","946","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N O4 -","- C21 H22 N O4 -","- C42 H44 N2 O8 -","2","1","","Jian-Liang Ye; Pei-Qiang Huang; Xin Lu","Mechanism for the Regioselective Asymmetric Addition of Grignard Reagents to Malimides: A Computational Exploration","Journal of Organic Chemistry","2007","72","","35","42","10.1021/jo0613683","","","0.71073","MoKα","","0.0809","0.0522","","","0.1195","0.1329","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022589","4.7318","0.0005","11.6928","0.0013","20.242","0.002","90","","90.192","0.002","90","","1120","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","p-Cresyl 2-O-benzyl-3,5-di-O-benzylidene-1-thio-/a/-D-arabinofuranoside","","- C26 H26 O4 S -","- C26 H26 O4 S -","- C52 H52 O8 S2 -","2","1","","David Crich; Christian Marcus Pedersen; Albert A. Bowers; Donald J. Wink","On the Use of 3,5-O-Benzylidene and 3,5-O-(Di-tert-butylsilylene)-2-O-benzylarabinothiofuranosides and Their Sulfoxides as Glycosyl Donors for the Synthesis of β-Arabinofuranosides: Importance of the Activation Method","Journal of Organic Chemistry","2007","72","","1553","1565","10.1021/jo061440x","","","0.71073","MoKα","","0.0769","0.0462","","","0.0752","0.0823","","","","","","0.856","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022611","10.05","0.008","6.229","0.005","12.106","0.009","90","","101.78","0.013","90","","741.9","1","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S,S)-5j","(3S,6S,9S)-1-Aza-3-tert-butoxycarbonylamino-9-methyl- 5-oxa-2-oxobicyclo[4.3.0]nonane","","- C13 H21 N2 O4 -","- C13 H22 N2 O4 -","- C26 H44 N4 O8 -","2","1","","Wen-Hua Chiou; Nobihiro Mizutani; Iwao Ojima","Highly Efficient Synthesis of Azabicyclo[x.y.0]alkane Amino Acids and Congeners by Means of Rh-Catalyzed Cyclohydrocarbonylation","Journal of Organic Chemistry","2007","72","","1871","1882","10.1021/jo061692y","","","0.71073","MoKα","","0.189","0.1406","","","0.3364","0.372","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022614","7.794","0.004","10.842","0.005","8.651","0.004","90","","115.448","0.007","90","","660.2","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O3 -","- C14 H15 Br O3 -","- C28 H30 Br2 O6 -","2","1","","Douglass F. Taber; Jiang-lin Liang","Single Enantiomer Epoxides by Bromomandelation of Prochiral Alkenes","Journal of Organic Chemistry","2007","72","","431","434","10.1021/jo061818r","","","0.71073","MoKα","","0.0315","0.0308","","","0.0797","0.0801","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022615","8.8455","0.0008","12.1404","0.0011","10.2121","0.0009","90","","101.764","0.001","90","","1073.62","0.17","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 F3 O4 -","- C23 H27 F3 O4 -","- C46 H54 F6 O8 -","2","1","","Takashi Nagamine; Kohei Inomata; Yasuyuki Endo; Leo A. Paquette","Amino Acid Mediated Intramolecular Asymmetric Aldol Reaction to Construct a New Chiral Bicyclic Enedione Containing a Seven-Membered Ring: Remarkable Inversion of Enantioselectivity Compared to the Six-Membered Ring","Journal of Organic Chemistry","2007","72","","123","131","10.1021/jo061824n","","","0.71073","MoKα","","0.0296","0.0279","","","0.0713","0.0721","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022627","9.25","","13.014","","12.342","","90","","103.11","","90","","1447","","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H40 B N2 O2 P -","- C29 H40 B N2 O2 P -","- C58 H80 B2 N4 O4 P2 -","2","1","","Marek Stankevič; K. Michał Pietrusiewicz","Resolution and Stereochemistry of tert-Butylphenylphosphinous Acid-Borane","Journal of Organic Chemistry","2007","72","","816","822","10.1021/jo061896e","","","1.54184","CuKα","","0.0461","0.0461","","","0.1274","0.1274","","","","","","1.058","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022631","8.4006","0.0006","16.4634","0.0012","10.1115","0.0008","90","","113.356","0.001","90","","1283.86","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","gamma-lactones","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","2","","Md. Merajuddin Baag; Vedavati G. Puranik; Narshinha P. Argade","Facile Chemo-, Regio-, and Diastereoselective Approach to cis-3,5-Disubstituted γ-Butyrolactones and Fused γ-Butyrolactones","Journal of Organic Chemistry","2007","72","","1009","1012","10.1021/jo0619128","","","0.71073","MoKα","","0.1158","0.0672","","","0.1493","0.1711","","","","","","0.924","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022632","6.5347","0.0006","7.0844","0.0007","11.655","0.0011","90","","96.388","0.007","90","","536.21","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 F2 N2 O4 -","- C10 H10 F2 N2 O4 -","- C20 H20 F4 N4 O8 -","2","1","","Ireneusz Nowak; John F. Cannon; Morris J. Robins","Addition of Difluorocarbene to 3',4'-Unsaturated Nucleosides: Synthesis of 2'-Deoxy Analogues with a 2-Oxabicyclo[3.1.0]hexane Framework","Journal of Organic Chemistry","2007","72","","532","537","10.1021/jo061965p","","","0.71073","MoKα","","0.0419","0.0349","","","0.085","0.0883","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022640","8.7136","0.0008","17.8622","0.0016","16.2167","0.0015","90","","101.555","0.002","90","","2472.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C112 H136 N16 O8 -","4","2","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.0819","0.0525","","","0.1298","0.1529","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022652","7.1454","0.0001","6.9176","0.0001","10.0029","0.0002","90","","98.292","0.001","90","","489.265","0.014","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Br N O3 -","- C10 H8 Br N O3 -","- C20 H16 Br2 N2 O6 -","2","1","","Aitor Landa; Bo Richter; Rasmus Lyng Johansen; Anna Minkkilä; Karl Anker Jørgensen","Bisoxazoline-Lewis Acid-Catalyzed Direct-Electron Demand oxo-Hetero-Diels-Alder Reactions of N-Oxy-pyridine Aldehyde and Ketone Derivatives","Journal of Organic Chemistry","2007","72","","240","245","10.1021/jo062012u","","x-ray","0.71073","MoKα","","0.0342","0.0274","","","0.0494","0.0508","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022659","10.3624","0.0014","6.6363","0.0009","11.0444","0.0015","90","","112.613","0.002","90","","701.11","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 F2 O4 -","- C15 H18 F2 O4 -","- C30 H36 F4 O8 -","2","1","","Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama","Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic","Journal of Organic Chemistry","2007","72","","1575","1587","10.1021/jo0620258","","","0.71073","MoKα","","0.0561","0.0406","","","0.0586","0.0622","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022660","10.209","0.002","9.5116","0.0018","11.486","0.002","90","","95.826","0.003","90","","1109.6","0.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 Br N3 O5 -","- C19 H26 Br N3 O5 -","- C38 H52 Br2 N6 O10 -","2","1","","Pranjal K. Baruah; N. K. Sreedevi; Rajesh Gonnade; Sapna Ravindranathan; Krishnan Damodaran; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Enforcing Periodic Secondary Structures in Hybrid Peptides: A Novel Hybrid Foldamer Containing Periodic γ-Turn Motifs","Journal of Organic Chemistry","2007","72","","636","639","10.1021/jo062032w","","","0.71073","MoKα","","0.0567","0.0418","","","0.0961","0.1032","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022661","8.387","0.003","8.079","0.003","14.455","0.005","90","","103.605","0.007","90","","952","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C40 H36 O16 -","2","1","","Sengodagounder Muthusamy; Boopathy Gnanaprakasam; Eringathodi Suresh","New Approach to the Synthesis of Macrocyclic Tetralactones via Ring-Closing Metathesis Using Grubbs' First-Generation Catalyst","Journal of Organic Chemistry","2007","72","","1495","1498","10.1021/jo062043p","","","0.71073","MoKα","","0.1524","0.0718","","","0.1406","0.1725","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022664","11.194","0.002","8.995","0.002","17.869","0.003","90","","92.509","0.01","90","","1797.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Paquette 1500","","","- C38 H54 O4 Si -","- C38 H54 O4 Si -","- C76 H108 O8 Si2 -","2","1","","Leo A. Paquette; Yang Hu; Andreas Luxenburger; Raynauld L. Bishop","Studies toward the Total Synthesis of Dumsin. 2. A Second Generation Approach Resulting in Enantioselective Construction of a Functionalized ABC Subunit of the Tetranortriterpenoid Insect Antifeedant","Journal of Organic Chemistry","2007","72","","209","222","10.1021/jo062068o","","x-ray","0.71073","MoKα","","0.0711","0.0522","","","0.1256","0.1362","","","","","","1.041","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022665","11.408","0.004","6.736","0.002","12.4","0.004","90","","107.562","0.005","90","","908.5","0.5","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","0.71073","MoKα","","0.1311","0.0625","","","0.1111","0.1293","","","","","","0.886","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022669","7.9324","0.0007","10.3812","0.0009","10.6069","0.0009","90","","96.848","0.002","90","","867.22","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3B-acetoxy-4A,5A,7A,11B-H-eudesman-6A,12-diyl-S(R)-cyclic-sulfite","","- C17 H28 O5 S -","- C17 H28 O5 S -","- C34 H56 O10 S2 -","2","1","","Andrés García-Granados; Andrés Parra; Francisco Rivas; Alejandro J. Segovia","Seven-Membered Cyclic Sulfite Eudesmane Derivatives: Partial Synthesis, Structural Determination, and Enzymatic Resolution","Journal of Organic Chemistry","2007","72","","643","646","10.1021/jo0620866","","","0.71073","MoKα","","0.0392","0.0375","","","0.0925","0.0943","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022670","8.6727","0.0005","9.3435","0.0005","11.1483","0.0006","90","","91.375","0.001","90","","903.12","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3B-acetoxy-4A,5A,7A,11B-H-eudesman-6A,12-diyl-S(S)-cyclic-sulfite","","- C17 H28 O5 S -","- C17 H28 O5 S -","- C34 H56 O10 S2 -","2","1","","Andrés García-Granados; Andrés Parra; Francisco Rivas; Alejandro J. Segovia","Seven-Membered Cyclic Sulfite Eudesmane Derivatives: Partial Synthesis, Structural Determination, and Enzymatic Resolution","Journal of Organic Chemistry","2007","72","","643","646","10.1021/jo0620866","","","0.71073","MoKα","","0.0423","0.0414","","","0.1107","0.1116","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022678","5.715","0.0002","11.6127","0.0004","26.4797","0.0009","90","","95.257","0.003","90","","1749.98","0.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H19 F3 N2 O3 S2 -","- C14 H19 F3 N2 O3 S2 -","- C56 H76 F12 N8 O12 S8 -","4","2","","Dorota Gryko; Magdalena Zimnicka; Radosław Lipiński","Brønsted Acids as Additives for the Direct Asymmetric Aldol Reaction Catalyzed by L-Prolinethioamides. Direct Evidence for Enamine-Iminium Catalysis","Journal of Organic Chemistry","2007","72","","964","970","10.1021/jo062149k","","","0.71073","MoKα","","0.0528","0.0295","","","0.0593","0.062","","","","","","0.839","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022679","8.7619","0.0009","9.4939","0.0009","10.2874","0.0012","90","","98.502","0.009","90","","846.35","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C30 H38 F6 N4 O4 S2 -","2","1","","Dorota Gryko; Magdalena Zimnicka; Radosław Lipiński","Brønsted Acids as Additives for the Direct Asymmetric Aldol Reaction Catalyzed by L-Prolinethioamides. Direct Evidence for Enamine-Iminium Catalysis","Journal of Organic Chemistry","2007","72","","964","970","10.1021/jo062149k","","","0.71073","MoKα","","0.0234","0.0206","","","0.0504","0.051","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022693","10.0143","0.0008","18.0289","0.0013","13.7693","0.0012","90","","110.838","0.009","90","","2323.4","0.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C48 H55 B N4 O7 S2 -","- C48 H55 B N4 O7 S2 -","- C96 H110 B2 N8 O14 S4 -","2","1","","Jan Blid; Olaf Panknin; Pavel Tuzina; Peter Somfai","Lewis Acid Mediated Asymmetric [2,3]-Sigmatropic Rearrangement of Allylic Amines. Scope and Mechanistic Investigation","Journal of Organic Chemistry","2007","72","","1294","1300","10.1021/jo062178v","","","0.71073","MoKα","","0.105","0.056","","","0.096","0.117","","","","","","1.21","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022704","9.59","0.02","10.15","0.02","10.58","0.04","90","","100.32","0.07","90","","1013","5","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 Fe N Si -","- C22 H27 Fe N Si -","- C44 H54 Fe2 N2 Si2 -","2","1","","Shin-ichi Fukuzawa; Masahisa Yamamoto; Satoshi Kikuchi","Unexpected 1,5-Dilithiation of Chiral o-TMS Blocked (Dimethylamino)phenylmethylferrocene: An Alternative Approach to Chiral Ferrocenyl 1,5-Diphosphanes","Journal of Organic Chemistry","2007","72","","1514","1517","10.1021/jo062210l","","","0.7107","MoKα","","","0.064","","","","0.066","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022705","11.807","0.013","16.361","0.015","18.45","0.03","90","","98.07","0.03","90","","3528","8","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H39 Fe N P2 -","- C43 H39 Fe N P2 -","- C172 H156 Fe4 N4 P8 -","4","2","","Shin-ichi Fukuzawa; Masahisa Yamamoto; Satoshi Kikuchi","Unexpected 1,5-Dilithiation of Chiral o-TMS Blocked (Dimethylamino)phenylmethylferrocene: An Alternative Approach to Chiral Ferrocenyl 1,5-Diphosphanes","Journal of Organic Chemistry","2007","72","","1514","1517","10.1021/jo062210l","","","0.7107","MoKα","","","0.0386","","","","0.0392","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022720","11.187","0.006","36.661","0.018","12.087","0.006","90","","106.921","0.009","90","","4742","4","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H40 Cl6 N O2 P3 Pd -","- C48 H40 Cl6 N O2 P3 Pd -","- C192 H160 Cl24 N4 O8 P12 Pd4 -","4","2","","Weicheng Zhang; Xumu Zhang","Highly Enantioselective Hydrogenation of α-Dehydroamino Esters and Itaconates with Triphosphorous Bidentate Ligands and the Unprecedented Solvent Effect Thereof","Journal of Organic Chemistry","2007","72","","1020","1023","10.1021/jo0622429","","","0.71073","MoKα","","0.0913","0.0692","","","0.1354","0.1475","","","","","","1.022","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022722","9.3503","0.0003","9.8156","0.0003","9.7374","0.0005","90","","116.441","0.001","90","","800.2","0.05","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Zhiyan Huang; Hongshan Lai; Yong Qin","Syntheses of Novel Chiral Sulfinamido Ligands and Their Applications in Diethylzinc Additions to Aldehydes","Journal of Organic Chemistry","2007","72","","1373","1378","10.1021/jo062249q","","","0.71073","MoKα","","0.0228","0.0224","","","0.0603","0.0606","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022723","12.934","0.007","5.96","0.003","16.38","0.009","90","","94.928","0.002","90","","1258","1.1","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O3 S2 -","- C27 H31 N O3 S2 -","- C54 H62 N2 O6 S4 -","2","1","","Akio Kamimura; Hidenori Okawa; Yuki Morisaki; Shingo Ishikawa; Hidemitsu Uno","Asymmetric Thio-Michael/Nucleophilic Addition Domino Reaction with Chiral N-Sulfinimines","Journal of Organic Chemistry","2007","72","","3569","3572","10.1021/jo062251h","","","0.7107","MoKα","","0.0538","0.0478","","","0.1278","0.1349","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022724","10.09","0.006","8.726","0.005","14.035","0.009","90","","92.408","0.014","90","","1234.6","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O3 S2 -","- C24 H33 N O3 S2 -","- C48 H66 N2 O6 S4 -","2","1","","Akio Kamimura; Hidenori Okawa; Yuki Morisaki; Shingo Ishikawa; Hidemitsu Uno","Asymmetric Thio-Michael/Nucleophilic Addition Domino Reaction with Chiral N-Sulfinimines","Journal of Organic Chemistry","2007","72","","3569","3572","10.1021/jo062251h","","","0.7107","MoKα","","0.0815","0.0674","","","0.1617","0.1791","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022735","22.169","0.004","6.512","0.0013","28.437","0.006","90","","95.994","0.004","90","","4082.8","1.4","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C26 H39 N2 O7 -","- C26 H39 N2 O7 -","- C156 H234 N12 O42 -","6","3","","Josep Comelles; Àlex Pericas; Marcial Moreno-Mañas; Adelina Vallribera; Galí Drudis-Solé; Agusti Lledos; Teodor Parella; Anna Roglans; Santiago García-Granda; Laura Roces-Fernández","Highly Enantioselective Electrophilic Amination and Michael Addition of Cyclic β-Ketoesters Induced by Lanthanides and (S,S)-ip-pybox: The Mechanism","Journal of Organic Chemistry","2007","72","","2077","2087","10.1021/jo0622678","","","0.71073","MoKα","","0.1985","0.1026","","","0.1732","0.2108","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022740","7.191","0.002","32.813","0.01","8.726","0.003","90","","90.048","0.006","90","","2059","1.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 Br O6 -","- C19 H22 Br O6 -","- C76 H88 Br4 O24 -","4","2","","Yoshio Nakai; Masatoshi Kawahata; Kentaro Yamaguchi; Kei Takeda","Stereocontrolled Construction of Seven-Membered Carbocycles Using a Combination of Brook Rearrangement-Mediated [3 + 4] Annulation and Epoxysilane Rearrangement","Journal of Organic Chemistry","2007","72","","1379","1387","10.1021/jo062282c","","","0.71073","MoKα","","0.2017","0.0521","","","0.1174","0.162","","","","","","0.793","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022744","9.4928","0.0006","8.228","0.0005","9.8444","0.0006","90","","111.506","0.001","90","","715.38","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O2 S2 -","- C14 H15 N O2 S2 -","- C28 H30 N2 O4 S4 -","2","1","","Michael Harmata; Pinguan Zheng; Chaofeng Huang; Maria G. Gomes; Weijiang Ying; Kanok-On Ranyanil; Gayatri Balan; Nathan L. Calkins","Expedient Synthesis of Sulfinamides from Sulfonyl Chlorides","Journal of Organic Chemistry","2007","72","","683","685","10.1021/jo062296i","","","0.71073","MoKα","","0.0356","0.0314","","","0.078","0.0804","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022746","11.0432","0.0016","7.7364","0.0011","15.73","0.002","90","","105.382","0.002","90","","1295.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 Br2 -","- C27 H46 Br2 -","- C54 H92 Br4 -","2","1","","Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore","Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt","Journal of Organic Chemistry","2007","72","","1765","1769","10.1021/jo062300q","","","0.71073","MoKα","","0.0498","0.037","","","0.0918","0.0965","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022766","9.6272","0.0009","8.7501","0.0006","30.305","0.002","90","","90.34","0.01","90","","2552.8","0.3","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","2","","James D. White; Laura Quaranta; Guoqiang Wang","Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling","Journal of Organic Chemistry","2007","72","","1717","1728","10.1021/jo062396o","","","1.54184","CuKα","","0.0491","0.0445","","","0.1235","0.1299","","","","","","1.033","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022767","9.4202","0.0008","6.8832","0.0006","12.5381","0.0009","90","","101.54","0.009","90","","796.55","0.11","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","James D. White; Laura Quaranta; Guoqiang Wang","Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling","Journal of Organic Chemistry","2007","72","","1717","1728","10.1021/jo062396o","","","1.54184","CuKα","","0.0334","0.0331","","","0.0874","0.0878","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022775","6.7769","0.0014","9.5119","0.0019","11.533","0.002","90","","92.86","0.03","90","","742.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.71073","MoKα","","0.0649","0.0495","","","0.1172","0.1232","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022776","11.003","0.002","5.9276","0.0012","13.224","0.003","90","","108.59","0.03","90","","817.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O7 -","- C15 H21 N O7 -","- C30 H42 N2 O14 -","2","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.71073","MoKα","","0.0732","0.0465","","","0.0912","0.0973","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022791","7.18","0.0014","9.64","0.0019","16.14","0.003","90","","102.4","0.03","90","","1091.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","beta-aminosulfide","","","- C22 H22 N2 O4 S2 -","- C22 H22 N2 O4 S2 -","- C44 H44 N4 O8 S4 -","2","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.0553","0.0451","","","0.1299","0.1469","","","","","","1.231","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022793","7.1281","0.001","18.856","0.003","10.036","0.002","90","","93.1","0.03","90","","1347","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H48 O5 -","- C28 H47 O5 -","- C56 H94 O10 -","2","1","","Marcin Górecki; Ewa Jabłońska; Anna Kruszewska; Suszczyńska; Zofia Urbańczyk-Lipkowska; Michael Gerards; Jacek W. Morzycki; Wojciech J. Szczepek; Jadwiga Frelek","Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo~2~(OAc)~4~","Journal of Organic Chemistry","2007","72","","2906","2916","10.1021/jo062445x","","","1.54178","CuKα","","0.2078","0.0526","","","0.1073","0.1468","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022802","9.843","0.002","19.5","0.004","19.388","0.004","90","","96.28","0.005","90","","3698.8","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H37 I2 N4 O2 Rh -","- C38 H36.5 I2 N4 O2 Rh -","- C152 H146 I8 N16 O8 Rh4 -","4","2","","Qin Xu; Xingxing Gu; Sijia Liu; Qinyu Dou; Min Shi","The Use of Chiral BINAM NHC-Rh(III) Complexes in Enantioselective Hydrosilylation of 3-Oxo-3-arylpropionic Acid Methyl or Ethyl Esters","Journal of Organic Chemistry","2007","72","","2240","2242","10.1021/jo062453d","","","0.71073","MoKα","","0.1202","0.1014","","","0.2643","0.2781","","","","","","1.019","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022803","13.8942","0.0007","8.4501","0.0004","25.2995","0.0013","90","","98.539","0.003","90","","2937.4","0.3","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H27 Br O4 -","- C37 H27 Br O4 -","- C148 H108 Br4 O16 -","4","2","","Ken Tanaka; Takeshi Suda; Keiichi Noguchi; Masao Hirano","Catalytic [2 + 2 + 2] and Thermal [4 + 2] Cycloaddition of 1,2-Bis(arylpropiolyl)benzenes","Journal of Organic Chemistry","2007","72","","2243","2246","10.1021/jo0624546","","","1.54187","CuKα","","0.1011","0.0695","","","0.2001","0.2333","","","","","","1.035","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022805","9.3997","0.0007","10.0174","0.0008","17.1329","0.0014","90","","92.718","0.004","90","","1611.4","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclohex-1-en-1-yl)diphenyl phosphine borane","","- C18 H22 B P -","- C18 H22 B P -","- C72 H88 B4 P4 -","4","2","","Delphine Julienne; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont","Palladium-Catalyzed C-P Coupling Reactions between Vinyl Triflates and Phosphine-Boranes: Efficient Access to Vinylphosphine-Boranes","Journal of Organic Chemistry","2007","72","","2247","2250","10.1021/jo062482o","","","0.71073","MoKα","","0.0738","0.0499","","","0.1304","0.1515","","","","","","1.061","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022814","14.1327","0.0004","10.9042","0.0003","17.7449","0.0006","90","","93.3188","0.0011","90","","2730.01","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H38 N2 O7 Si -","- C23 H38 N2 O7 Si -","- C92 H152 N8 O28 Si4 -","4","2","","Antonio Manetto; Dimitris Georganakis; Leondios Leondiadis; Thanasis Gimisis; Peter Mayer; Thomas Carell; Chryssostomos Chatgilialoglu","Independent Generation of C5'-Nucleosidyl Radicals in Thymidine and 2'-Deoxyguanosine","Journal of Organic Chemistry","2007","72","","3659","3666","10.1021/jo062518c","","","0.71073","MoKα","","0.0839","0.0621","","","0.1636","0.1774","","","","","","1.06","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022842","6.9293","0.0008","7.5038","0.0011","10.7401","0.0011","90","","93.891","0.007","90","","557.16","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 F2 N2 O5 -","- C10 H10 F2 N2 O5 -","- C20 H20 F4 N4 O10 -","2","1","","Ireneusz Nowak; Morris J. Robins","Synthesis of 3'-Deoxynucleosides with 2-Oxabicyclo[3.1.0]hexane Sugar Moieties: Addition of Difluorocarbene to a 3',4'-Unsaturated Uridine Derivative and 1,2-Dihydrofurans Derived from D- and L-Xylose","Journal of Organic Chemistry","2007","72","","3319","3325","10.1021/jo062614d","","","0.71073","MoKα","","0.0424","0.0346","","","0.083","0.0877","","","","","","1.043","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022860","7.19","0.0005","7.699","0.0005","24.8499","0.0012","90","","90.146","0.003","90","","1375.58","0.15","100","1","100","1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl N2 O -","- C14 H17 Cl N2 O -","- C56 H68 Cl4 N8 O4 -","4","2","","Dario Perdicchia; Karl Anker Jørgensen","Asymmetric Aza-Michael Reactions Catalyzed by Cinchona Alkaloids","Journal of Organic Chemistry","2007","72","","3565","3568","10.1021/jo0626717","","x-ray","0.71073","MoKα","","0.0605","0.0477","","","0.1169","0.1217","","","","","","1.035","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022866","6.1101","0.0002","16.2044","0.0005","9.8807","0.0003","90","","95.641","0.002","90","","973.56","0.05","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N O3 -","- C20 H19 Cl N O3 -","- C40 H38 Cl2 N2 O6 -","2","1","","Mark Bell; Thomas B. Poulsen; Karl Anker Jørgensen","Organocatalytic Enantioselective Nucleophilic Vinylic Substitution by α-Substituted-α-Cyanoacetates under Phase-Transfer Conditions","Journal of Organic Chemistry","2007","72","","3053","3056","10.1021/jo070024p","","x-ray","0.71073","MoKα","","0.0637","0.0441","","","0.1125","0.1208","","","","","","0.952","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022880","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1933","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022883","10.906","0.005","7.759","0.003","14.372","0.009","90","","107.04","0.02","90","","1162.9","0.1","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 Cr N O3 Si -","- C24 H24 Cr N O3 Si -","- C48 H48 Cr2 N2 O6 Si2 -","2","1","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.7107","MoKα","","","0.033","","","","0.037","","","","","","1.522","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022894","6.22","0.0002","9.038","0.0004","8.042","0.0003","90","","93.32","0.0018","90","","451.33","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C16 H26 N2 O6 S2 -","2","1","","J. Carreras; A. Avenoza; J. H. Busto; J. M. Peregrina","Synthesis of Azabicyclo[2.2.n]alkane Systems as Analogues of 3-[1-Methyl-2-(S)-pyrrolidinyl-methoxy]pyridine (A-84543)","Journal of Organic Chemistry","2007","72","","3112","3115","10.1021/jo0700732","","","0.71073","MoKα","","0.0334","0.031","","","0.0769","0.0793","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022902","14.5299","0.0013","12.4665","0.0011","19.2638","0.0017","90","","106.777","0.002","90","","3340.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H39 F N2 O3 S2 -","- C34 H39 F N2 O3 S2 -","- C136 H156 F4 N8 O12 S8 -","4","2","","Jun Liu; Ya Li; Jinbo Hu","Stereoselective Synthesis of Di- and Monofluoromethylated Vicinal Ethylenediamines with Di- and Monofluoromethyl Sulfones","Journal of Organic Chemistry","2007","72","","3119","3121","10.1021/jo070094w","","","0.71073","MoKα","","0.1083","0.0661","","","0.1615","0.1773","","","","","","0.865","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022909","11.6107","0.0011","5.6461","0.0005","14.452","0.0013","90","","95.483","0.002","90","","943.07","0.15","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","MAGJZ01","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Jianguang Zhou; Nabi A. Magomedov","Explorations on the Asymmetric Total Synthesis of Isoschizogamine","Journal of Organic Chemistry","2007","72","","3808","3815","10.1021/jo070144x","","","0.71073","MoKα","","0.1521","0.0884","","","0.1326","0.1493","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022938","11.8062","0.0014","12.4626","0.0016","18.529","0.003","90","","108.153","0.003","90","","2590.6","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H41 Co O3 -","- C30 H41 Co O3 -","- C120 H164 Co4 O12 -","4","2","","Miguel A. Sierra; M. Rosario Torres; María C. de la Torre; Elsa Álvaro","Synthesis of Terpene and Steroid Dimers and Trimers Having Cyclobutadienyl-Co and Aromatic Tethers","Journal of Organic Chemistry","2007","72","","4213","4219","10.1021/jo0703698","","","0.71073","MoKα","","0.2493","0.0606","","","0.0789","0.1194","","","","","","0.714","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022939","11.1809","0.0014","8.245","0.001","12.1335","0.0015","90","","93.074","0.002","90","","1116.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 S2 -","- C24 H27 N O5 S2 -","- C48 H54 N2 O10 S4 -","2","1","","William H. Pearson; Jeffrey E. Kropf; Allison L. Choy; Ill Young Lee; Jeff W. Kampf","Approach to the Homoerythrina Alkaloids Using a Tandem N-Alkylation/Azomethine Ylide Cycloaddition","Journal of Organic Chemistry","2007","72","","4135","4148","10.1021/jo0703799","","","0.71073","MoKα","","0.0426","0.0362","","","0.0884","0.0918","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022946","7.66","0.003","12.669","0.003","8.927","0.003","90","","104.57","0.03","90","","838.5","0.5","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C36 H50 N2 O4 -","2","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0692","0.0507","","","0.1503","0.1652","","","","","","1.065","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022948","9.493","0.006","8.884","0.007","11.272","0.006","90","","103.89","0.05","90","","922.8","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0656","0.0422","","","0.1007","0.1134","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022975","10.0589","0.0019","8.5302","0.001","10.443","0.002","90","0.0019","116.249","0.002","90","0.0019","803.6","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 I O2 S -","- C18 H15 I O2 S -","- C36 H30 I2 O4 S2 -","2","1","","Ryo Tanaka; Koji Nakano; Kyoko Nozaki","Synthesis of α-Heteroarylpropanoic Acid via Asymmetric Hydroformylation Catalyzed by Rh(I)-(R,S)-BINAPHOS and the Subsequent Oxidation","Journal of Organic Chemistry","2007","72","","8671","8676","10.1021/jo0712190","","","0.7107","MoKα","","0.0218","0.0214","","","0.0533","0.0535","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022989","8.347","","13.4","","8.915","","90","","101.62","","90","","976.7","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O8 S -","- C18 H22 O8 S -","- C36 H44 O16 S2 -","2","1","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.047","0.0363","","","0.0907","0.0966","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023009","9.1318","0.0001","12.317","0.0002","11.1035","0.0002","90","","101.569","0.001","90","","1223.51","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 B N O3 P -","- C24 H31 B N O3 P -","- C48 H62 B2 N2 O6 P2 -","2","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.054","0.0386","","","0.0869","0.0945","","","","","","1.051","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023014","6.0745","0.0003","10.601","0.0005","9.9223","0.0005","90","","104.882","0.002","90","","617.52","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4S,E)-3-(methylthio)-3-nitro-4-styryl-4,5-dihydro-3H-pyrazole","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C24 H26 N6 O4 S2 -","2","1","","Lara Bianchi; Gianluca Giorgi; Massimo Maccagno; Giovanni Petrillo; Valeria Rocca; Fernando Sancassan; Carlo Scapolla; Elda Severi; Cinzia Tavani","Butadienic Building Blocks from 2-Nitrothiophene as Precursors of Nitrogen Heterocycles: Intriguing Dichotomic Behavior","Journal of Organic Chemistry","2007","72","","9067","9073","10.1021/jo701460k","","","0.71073","MoKα","","0.0586","0.0408","","","0.0788","0.0849","","","","","","1.039","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023020","9.7502","0.0009","10.4517","0.001","10.5257","0.001","90","","92.547","0.001","90","","1071.57","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C56 H48 O4 -","2","1","","Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore","Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads","Journal of Organic Chemistry","2007","72","","8054","8061","10.1021/jo701474y","","","0.71073","MoKα","","0.0491","0.0451","","","0.1139","0.117","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023038","7.4035","0.0005","11.2369","0.0008","10.9184","0.0008","90","","97.113","0.003","90","","901.34","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.0405","0.0348","","","0.0779","0.0812","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023039","14.676","0.003","7.4129","0.0017","17.361","0.004","90","","103.458","0.007","90","","1836.8","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O2 -","- C21 H34 O2 -","- C84 H136 O8 -","4","2","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.079","0.0597","","","0.1342","0.1462","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023040","9.7145","0.0012","7.7115","0.0009","14.613","0.002","90","","94.9","0.008","90","","1090.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O4 -","- C25 H38 O4 -","- C50 H76 O8 -","2","1","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.1008","0.053","","","0.093","0.1094","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023056","8.839","0.003","19.75","0.007","22.287","0.007","90","","97.521","0.015","90","","3857","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H84 I4 N8 O30 -","- C60 H84 I4 N8 O30 -","- C120 H168 I8 N16 O60 -","2","1","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.197","0.0873","","","0.1893","0.236","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023059","15.9578","0.0007","6.217","0.0004","17.4652","0.001","90","","101.03","0.002","90","","1700.71","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C64 H84 N12 O20 -","4","2","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.0993","0.0462","","","0.1242","0.159","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023062","10.6475","0.001","8.5764","0.001","12.78","0.002","90","","113.614","0.007","90","","1069.3","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Paquette 1422","","","- C24 H38 O6 -","- C24 H38 O6 -","- C48 H76 O12 -","2","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0524","0.0448","","","0.1141","0.1193","","","","","","1.059","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023085","9.5009","0.0015","9.2869","0.0015","10.3122","0.0017","90","","102.262","0.003","90","","889.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C48 H28 S4 -","2","1","","Guijie Li; Shaolin Zhou; Guowei Su; Yuanhong Liu; Peng George Wang","Improved Synthesis of Aryl-Substituted Anthracenes and Heteroacenes","Journal of Organic Chemistry","2007","72","","9830","9833","10.1021/jo7017334","","","0.71073","MoKα","","0.0787","0.0709","","","0.1821","0.1908","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023092","7.001","0.0002","12.2264","0.0003","7.3355","0.0002","90","","92.6343","0.0018","90","","627.23","0.03","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","auricularin","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Anastasia Karioti; Helen Skaltsa; Anthony Linden; Remo Perozzo; Reto Brun; Deniz Tasdemir","Anthecularin: A Novel Sesquiterpene Lactone from Anthemis auriculata with Antiprotozoal Activity","Journal of Organic Chemistry","2007","72","","8103","8106","10.1021/jo701751w","","","0.71073","MoKα","","0.0468","0.0432","","","0.1002","0.1037","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023096","9.5778","0.0007","11.0329","0.0008","10.1225","0.0007","90","","110.243","0.001","90","","1003.58","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H29 N -","- C25 H29 N -","- C50 H58 N2 -","2","1","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.0419","0.0406","","","0.1015","0.1028","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023099","10.2966","0.0013","6.4115","0.0008","10.7707","0.0014","90","","98.091","0.002","90","","703.97","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 N O8 S -","- C12 H15 N O8 S -","- C24 H30 N2 O16 S2 -","2","1","","Alessandra Cordeiro; María Luisa Jimeno; Miguel A. Maestro; María-José Camarasa; Ernesto Quesada; Ana San-Félix","Synthesis of Highly Condensed Polycyclic Carbohydrates by Reaction of a Spirocyclic Enamino Sulfonate Derived from D-Xylofuranose with Bifunctional Reagents","Journal of Organic Chemistry","2007","72","","9713","9721","10.1021/jo701775a","","","0.71073","MoKα","","0.0825","0.0523","","","0.0946","0.1038","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023101","7.1077","0.0007","23.996","0.002","9.9653","0.0009","90","","105.838","0.002","90","","1635.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07197a","","","- C36 H44 N2 O3 Si -","- C36 H44 N2 O3 Si -","- C72 H88 N4 O6 Si2 -","2","1","","Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse","Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin","Journal of Organic Chemistry","2007","72","","9722","9731","10.1021/jo7017922","","","0.71073","MoKα","","0.0531","0.04","","","0.0859","0.0911","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023110","5.63","0.003","6.028","0.003","17.632","0.01","90","","92.56","0.002","90","","597.7","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Xiao-Ying Xu; Zhuo Tang; Yan-Zhao Wang; Shi-Wei Luo; Lin-Feng Cun; Liu-Zhu Gong","Asymmetric Organocatalytic Direct Aldol Reactions of Ketones with α-Keto Acids and Their Application to the Synthesis of 2-Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2007","72","","9905","9913","10.1021/jo701868t","","","0.71073","MoKα","","0.0425","0.0379","","","0.0974","0.1046","","","","","","0.52","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023112","12.749","0.003","7.451","0.002","13.531","0.002","90","","100.77","0.02","90","","1262.7","0.5","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Cl F3 N2 O4 -","- C26 H30 Cl F3 N2 O4 -","- C52 H60 Cl2 F6 N4 O8 -","2","1","","Denise Andersen; Thomas Storz; Pingli Liu; Xin Wang; Leping Li; Pingchen Fan; Xiaoqi Chen; Alan Allgeier; Alain Burgos; Jason Tedrow; Jean Baum; Ying Chen; Rich Crockett; Liang Huang; Rashid Syed; Robert D. Larsen; Mike Martinelli","Stereoselective Synthesis of a MCHr1 Antagonist","Journal of Organic Chemistry","2007","72","","9648","9655","10.1021/jo701894v","","","1.5418","CuKα","","","0.085","","","","0.257","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023124","12.0205","0.0002","9.4","0.0002","12.7518","0.0003","90","","112.657","0.001","90","","1329.67","0.05","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine","","- C24 H46 N2 O4 S2 -","- C24 H46 N2 O4 S2 -","- C48 H92 N4 O8 S4 -","2","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0479","0.0347","","0.0475","0.0344","0.0344","","","","","","1.1186","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023131","14.559","0.003","8.4147","0.0015","15.738","0.003","90","","107.481","0.003","90","","1839","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H13 N3 S3 -","- C21 H13 N3 S3 -","- C84 H52 N12 S12 -","4","2","","Birdella D. Kenney; Michael Breslav; Rosie Chang; Roland Glaser; Bruce D. Harris; Cynthia A. Maryanoff; John Mills; Armin Roessler; Brigitte Segmuller; Frank J. Villani, Jr.","Methodology for the Preparation of 2-Argininylbenzothiazole","Journal of Organic Chemistry","2007","72","","9798","9801","10.1021/jo7019543","","","0.71073","MoKα","","0.0621","0.0519","","","0.1219","0.1268","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023178","5.214","0.003","6.055","0.003","19.48","0.01","90","","93.31","0.02","90","","614","0.5","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Kazuteru Usui; Mariko Aso; Mitsuhiro Fukuda; Hiroshi Suemune","Photochemical Generation of Oligodeoxynucleotide Containing a C4'-Oxidized Abasic Site and Its Efficient Amine Modification: Dependence on Structure and Microenvironment","Journal of Organic Chemistry","2008","73","","241","248","10.1021/jo702080r","","","0.7107","MoKα","","","0.034","","","","0.084","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023192","6.7838","0.0003","5.0683","0.0002","20.4498","0.0009","90","","94.454","0.002","90","","700.99","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Jennifer E. Davoren; Christian Harcken; Stephen F. Martin","Studies toward the Enantioselective Syntheses of Oxylipins: Total Synthesis and Structure Revision of Solandelactone E","Journal of Organic Chemistry","2008","73","","391","402","10.1021/jo701739v","","","0.71073","MoKα","","0.1403","0.0573","","","0.1073","0.1301","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023195","11.3743","0.0016","8.1662","0.0008","12.5872","0.0018","90","","92.705","0.012","90","","1167.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyclohexyl-(3,2',2',5',5'-pentamethyl-1'-oxyl-4,5,2',5'- tetrahydro-3H,1'H-[1,4']biimidazolyl-2-ylidene)-ammonium methyl sulfate","","- C18 H34 N5 O5 S -","- C18 H34 N5 O5.0004 S -","- C36 H68 N10 O10.0008 S2 -","2","1","","Julya F. Polienko; Thomas Schanding; Yury V. Gatilov; Igor A. Grigor'ev; Maxim A. Voinov","Studies toward the Synthesis of 4-(2-R-ethyl)amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls. Nucleophilic Substitution of Bromide in the N-Alkyl Chain of the 1,2,4-Oxadiazol-2-one Precursor","Journal of Organic Chemistry","2008","73","","502","510","10.1021/jo701803a","","","0.71073","MoKα","","0.1118","0.0726","","","0.2239","0.2734","","","","","","1.015","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023198","7.394","0.004","10.764","0.019","10.8","0.005","90","","99.71","0.04","90","","847.2","1.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2S,5S)-4-Benzyl-5-hydroxymethyl-3,6-dioxo-piperazin-2-yl]-acetic acid allyl ester","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Ana Sofia M. Ressurreição; Andrea Bordessa; Monica Civera; Laura Belvisi; Cesare Gennari; Umberto Piarulli","Synthesis and Conformational Studies of Peptidomimetics Containing a New Bifunctional Diketopiperazine Scaffold Acting as a β-Hairpin Inducer","Journal of Organic Chemistry","2008","73","","652","660","10.1021/jo702072z","","","0.71073","MoKα","","0.0869","0.0541","","","0.1348","0.1553","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023204","12.1044","0.0002","17.1143","0.0002","17.3659","0.0002","90","","93.019","0.001","90","","3592.5","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 Cl3 N2 Pd -","- C39 H36 Cl3 N2 Pd -","- C156 H144 Cl12 N8 Pd4 -","4","2","","Liang Xu; Yian Shi","Chiral N-Heterocyclic Carbene-Pd(0)-Catalyzed Asymmetric Diamination of Conjugated Dienes and Triene","Journal of Organic Chemistry","2008","73","","749","751","10.1021/jo702167u","","","0.71073","MoKα","","0.1163","0.0616","","","0.1425","0.1754","","","","","","0.934","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023223","10.9694","0.0006","18.716","0.001","11.0478","0.0006","90","","96.885","0.001","90","","2251.8","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H54 B Cl2 F4 Fe P Rh -","- C50.974 H53.948 B Cl1.948 F4 Fe P2 Rh -","- C101.948 H107.896 B2 Cl3.896 F8 Fe2 P4 Rh2 -","2","1","","Martin E. Fox; Mark Jackson; Ian C. Lennon; Jerzy Klosin; Khalil A. Abboud","Bis-(2,5-diphenylphospholanes) with sp^2^ Carbon Linkers: Synthesis and Application in Asymmetric Hydrogenation","Journal of Organic Chemistry","2008","73","","775","784","10.1021/jo7014938","","","0.71073","MoKα","","0.0234","0.0228","","","0.0583","0.0587","","","","","","1.041","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023229","10.9826","0.0004","10.7528","0.0004","34.9644","0.0012","90","","92.992","0.002","90","","4123.4","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17.25 H17.5 B Cl0.5 Mo N6 O4 -","- C17.25 H17.5 B Cl0.5 Mo N6 O4 -","- C138 H140 B8 Cl4 Mo8 N48 O32 -","8","4","","Thomas C. Coombs; Lee, IV, Maurice D.; Heilam Wong; Matthew Armstrong; Bo Cheng; Wenyong Chen; Alessandro F. Moretto; Lanny S. Liebeskind","Practical, Scalable, High-Throughput Approaches to η^3^-Pyranil and η^3^-Pyridinyl Organometallic Enantiomeric Scaffolds Using the Achmatowicz Reaction","Journal of Organic Chemistry","2008","73","","882","888","10.1021/jo702006z","","","0.71073","MoKα","","0.0705","0.0609","","","0.1492","0.1547","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023235","7.0033","0.0001","23.5018","0.0005","12.388","0.0003","90","","106.052","0.001","90","","1959.45","0.13","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H23 Br N4 O2 Si -","- C17 H23 Br N4 O2 Si -","- C68 H92 Br4 N16 O8 Si4 -","4","2","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.033","","","","0.072","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023245","8.947","0.002","19.636","0.004","14.563","0.003","90","","98.839","0.004","90","","2528.1","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","2","","Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity","Investigation of a Flexible Enantiospecific Approach to Aziridines","Journal of Organic Chemistry","2008","73","","1128","1130","10.1021/jo7023637","","","0.71073","MoKα","","0.1027","0.0587","","","0.1307","0.1546","","","","","","0.947","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023246","6.2669","0.0017","7.288","0.002","17.483","0.006","90","","92.276","0.019","90","","797.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity","Investigation of a Flexible Enantiospecific Approach to Aziridines","Journal of Organic Chemistry","2008","73","","1128","1130","10.1021/jo7023637","","","0.71073","MoKα","","0.144","0.0977","","","0.2336","0.2661","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023249","11.727","0.013","12.211","0.012","12.988","0.014","90","","110.727","0.005","90","","1739","3","113.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H45 N3 O8 Si -","- C33 H45 N3 O8 Si -","- C66 H90 N6 O16 Si2 -","2","1","","Ken-ichi Sato; Shoji Akai; Hirotsugu Shoji; Naoki Sugita; Shiho Yoshida; Yoshinao Nagai; Katsuhiko Suzuki; Yutaka Nakamura; Yasuhiro Kajihara; Masuo Funabashi; Juji Yoshimura","Stereoselective and Efficient Total Synthesis of Optically Active Tetrodotoxin from D-Glucose","Journal of Organic Chemistry","2008","73","","1234","1242","10.1021/jo701655v","","","0.7107","MoKα","","","0.072","","","","0.1936","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023256","11.501","0.0004","21.4606","0.0009","12.8318","0.0005","90","","102.648","0.002","90","","3090.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33.5 H40.5 N3.5 O3.5 -","- C33.5 H40.5 N3.5 O3.5 -","- C134 H162 N14 O14 -","4","2","","Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta","Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives","Journal of Organic Chemistry","2008","73","","1264","1269","10.1021/jo7018202","","","1.54178","CuKα","","0.0309","0.0303","","","0.0808","0.0815","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023302","11.542","0.002","7.5962","0.0015","13.125","0.003","90","","102.91","0.03","90","","1121.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C44 H46 N6 O10 S2 -","2","1","","Changqing Dong; Fanyang Mo; Jianbo Wang","Highly Diastereoselective Addition of the Lithium Enolate of α-Diazoacetoacetate to N-Sulfinyl Imines: Enantioselective Synthesis of 2-Oxo and 3-Oxo Pyrrolidines","Journal of Organic Chemistry","2008","73","","1971","1974","10.1021/jo702275a","","","0.71073","MoKα","","0.1048","0.058","","","0.1424","0.1562","","","","","","1.031","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023342","6.89","0.0014","13.61","0.003","19.8","0.004","90","","91.23","0.03","90","","1856.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[1-(4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carbonyl)- piperidin-4-yl]-3-[1-(4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane- 1-carbonyl)-1,2,3,4-tetrahydro-quinolin-3-yl]-butyric acid methyl ester","","- C40 H56 N2 O9 -","- C40 H56 N2 O9 -","- C80 H112 N4 O18 -","2","1","","William A. Kinney; Christopher A. Teleha; Andrew S. Thompson; Maria Newport; Ryan Hansen; Scott Ballentine; Shyamali Ghosh; Andrew Mahan; Gabriela Grasa; Antonio Zanotti-Gerosa; Jules Dingenen; Carsten Schubert; Yong Zhou; Gregory C. Leo; David F. McComsey; Rosemary J. Santulli; Bruce E. Maryanoff","Suzuki-Miyaura Approach to JNJ-26076713, an Orally Active Tetrahydroquinoline-Containing α~v~β~3~/α~v~β~5~ Integrin Antagonist. Enantioselective Synthesis and Stereochemical Studies","Journal of Organic Chemistry","2008","73","","2302","2310","10.1021/jo702551t","","","1.54178","CuKα","","0.03","0.0299","","","0.0793","0.0793","","","","","","1.075","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023347","11.4112","0.0018","8.6807","0.0014","13.502","0.002","90","","102.11","0.002","90","","1307.7","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O8 S -","- C28 H24 O8 S -","- C56 H48 O16 S2 -","2","1","","Zhi-Hua Sun; Bing Wang","A Facile and Practical Synthesis of Peracylated 4-Thio-D-ribofuranoses from D-Glucose","Journal of Organic Chemistry","2008","73","","2462","2465","10.1021/jo7026596","","","0.71073","MoKα","","0.0582","0.0485","","","0.1033","0.1109","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023354","11.947","0.002","5.9259","0.0008","12.668","0.002","90","","106.117","0.002","90","","861.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C34 H44 Br2 N2 O4 -","2","1","","Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger","Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin","Journal of Organic Chemistry","2008","73","","2041","2051","10.1021/jo7027695","","","0.71073","MoKα","","0.0555","0.0445","","","0.0955","0.1","","","","","","0.949","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023376","6.814","0.0005","7.477","0.0007","13.463","0.0009","90","","95.487","0.005","90","","682.77","0.09","122","1","122","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-benzyl-1-(4-nitrobenzenesulfonyl)aziridine","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C28 H24 N4 O8 S2 -","2","1","","François Crestey; Matthias Witt; Karla Frydenvang; Dan Staerk; Jerzy W. Jaroszewski; Henrik Franzyk","Microwave-Assisted Ring-Opening of Activated Aziridines with Resin-Bound Amines","Journal of Organic Chemistry","2008","73","","3566","3569","10.1021/jo702612u","","","0.71073","MoKα","","0.0236","0.0226","","","0.0596","0.0601","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023379","7.82","0.002","13.703","0.004","10.394","0.003","90","","99.761","0.004","90","","1097.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 Cl2 N O3 -","- C24 H19 Cl2 N O3 -","- C48 H38 Cl4 N2 O6 -","2","1","","Yun-Yun Yang; Wang-Ge Shou; Deng Hong; Yan-Guang Wang","Selective Synthesis of 4-Alkylidene-β-lactams and N,N'-Diarylamidines from Azides and Aryloxyacetyl Chlorides via a Ketenimine-Participating One-Pot Cascade Process","Journal of Organic Chemistry","2008","73","","3574","3577","10.1021/jo702733h","","","0.71073","MoKα","","0.0666","0.0527","","","0.1341","0.1434","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023386","6.851","0.006","13.858","0.011","13.766","0.012","90","","101.51","0.013","90","","1280.6","1.8","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C54 H64 N4 O8 S2 -","2","1","","Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu","A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines","Journal of Organic Chemistry","2008","73","","3634","3637","10.1021/jo8001408","","","0.71073","MoKα","","0.0545","0.0397","","","0.09","0.0967","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023388","11.432","0.0012","15.4131","0.0016","14.3198","0.0015","90","","90.762","0.002","90","","2523","0.5","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C108 H128 N8 O16 S4 -","4","2","","Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu","A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines","Journal of Organic Chemistry","2008","73","","3634","3637","10.1021/jo8001408","","","0.71073","MoKα","","0.0607","0.0407","","","0.0903","0.1022","","","","","","1.041","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023400","14.4152","0.0008","11.3319","0.0007","17.8696","0.001","90","","112.636","0.003","90","","2694.2","0.3","100","2","100","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","","","","- C22 H22 Cu F6 N2 O8 S2 -","- C22 H22 Cu F6 N2 O8 S2 -","- C88 H88 Cu4 F24 N8 O32 S8 -","4","2","","Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist","Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative","Journal of Organic Chemistry","2008","73","","3911","3914","10.1021/jo702566m","","x-ray","0.71073","MoKα","","0.0673","0.0575","","","0.1382","0.1441","","","","","","1.059","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023415","10.195","0.006","8.387","0.005","13.54","0.009","90","","108.076","0.017","90","","1100.6","1.1","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 O2 -","- C28 H30 O2 -","- C56 H60 O4 -","2","1","","Tomohiro Taniguchi; Taka-aki Fukuba; Shuhei Nakatsuka; Shuichi Hayase; Motoi Kawatsura; Hidemitsu Uno; Toshiyuki Itoh","Linker-Oriented Design of Binaphthol Derivatives for Optical Resolution Using Lipase-Catalyzed Reaction","Journal of Organic Chemistry","2008","73","","3875","3884","10.1021/jo800351h","","","0.7107","MoKα","","0.0684","0.053","","","0.1219","0.1311","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023416","6.065","0.001","5.9654","0.0009","14.695","0.002","90","","91.142","0.005","90","","531.55","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Saumen Hajra; Aswini Kumar Giri","Organocatalytic and Enantioselective Synthesis of β-(Hydroxyalkyl)-γ-Butyrolactones","Journal of Organic Chemistry","2008","73","","3935","3937","10.1021/jo8005733","","","0.71073","MoKα","","0.0645","0.0444","","","0.102","0.1125","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023417","8.2085","0.0013","7.4494","0.0012","9.1771","0.0014","90","","101.037","0.002","90","","550.79","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C26 H22 N2 O6 -","2","1","","Ni Yan; Xiaozhong Liu; Mahesh K. Pallerla; Joseph M. Fox","Synthesis of Stable Derivatives of Cycloprop-2-ene Carboxylic Acid","Journal of Organic Chemistry","2008","73","","4283","4286","10.1021/jo800042w","","","0.71073","MoKα","","0.042","0.0408","","","0.1053","0.1063","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023427","4.427","0.002","41.337","0.019","8.158","0.004","90","","90.115","0.005","90","","1492.9","1.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 I N3 O4 -","- C13 H12 I N3 O4 -","- C52 H48 I4 N12 O16 -","4","2","","Carmen R. Alonso-Cruz; Alan R. Kennedy; María S. Rodríguez; Ernesto Suárez","Synthesis of Polyhydroxylated 2H-Azirines and 2-Halo-2H-azirines from 3-Azido-2,3-dideoxyhexopyranoses by Alkoxyl Radical Fragmentation","Journal of Organic Chemistry","2008","73","","4116","4122","10.1021/jo800182y","","","0.6911","synchrotron","","0.0767","0.0675","","","0.1637","0.1718","","","","","","1.042","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023431","9.7311","0.001","18.404","0.002","13.957","0.002","90","","99.59","0.002","90","","2464.6","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","4","","David Bernier; Alexander J. Blake; Simon Woodward","Improved Procedure for the Synthesis of Enamine N-Oxides","Journal of Organic Chemistry","2008","73","","4229","4232","10.1021/jo8002166","","","0.71073","MoKα","","0.115","0.0918","","","0.236","0.261","","","","","","1.03","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023444","13.8742","0.0016","7.6796","0.0009","15.197","0.0015","90","","111.993","0.004","90","","1501.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H42 Br N O5 S -","- C31 H42 Br N O5 S -","- C62 H84 Br2 N2 O10 S2 -","2","1","","Paul B. Hurley; Gregory R. Dake","Synthetic Studies toward Halichlorine: Complex Azaspirocycle Formation with Use of an NBS-Promoted Semipinacol Reaction","Journal of Organic Chemistry","2008","73","","4131","4138","10.1021/jo800336k","","","0.71073","MoKα","","0.0418","0.0298","","","0.0598","0.0623","","","","","","0.98","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023445","9.1475","0.0005","24.817","0.002","9.313","0.0006","90","","105.812","0.002","90","","2034.2","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","circumdatin A","","","- C22 H23 N3 O6 -","- C22 H19 N3 O6 -","- C88 H76 N12 O24 -","4","2","","Ryuhei Ookura; Keijiro Kito; Takashi Ooi; Michio Namikoshi; Takenori Kusumi","Structure Revision of Circumdatins A and B, Benzodiazepine Alkaloids Produced by Marine Fungus Aspergillus ostianus, by X-ray Crystallography","Journal of Organic Chemistry","2008","73","","4245","4247","10.1021/jo800348d","","","0.7107","MoKα","","","0.036","","","","0.088","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023446","9.6004","0.0008","8.4072","0.0006","21.327","0.002","90","","93.195","0.003","90","","1718.7","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","circumdatin B","","","- C40 H36 N6 O9 -","- C40 H36 N6 O9 -","- C80 H72 N12 O18 -","2","1","","Ryuhei Ookura; Keijiro Kito; Takashi Ooi; Michio Namikoshi; Takenori Kusumi","Structure Revision of Circumdatins A and B, Benzodiazepine Alkaloids Produced by Marine Fungus Aspergillus ostianus, by X-ray Crystallography","Journal of Organic Chemistry","2008","73","","4245","4247","10.1021/jo800348d","","","0.7107","MoKα","","","0.048","","","","0.107","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023451","10.913","0.006","5.673","0.003","17.155","0.009","90","","105.721","0.006","90","","1022.4","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C44 H60 O12 S2 -","2","1","","Douglass F. Taber; Jean-Michel Joerger","Synthesis of Bis-18,18'-desmethyl Ritterazine N","Journal of Organic Chemistry","2008","73","","4155","4159","10.1021/jo800454w","","","0.71073","MoKα","","0.0361","0.0338","","","0.0827","0.0851","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023452","10.738","0.004","10.238","0.003","11.18","0.004","90","","97.917","0.006","90","","1217.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Br N O3 S -","- C26 H30 Br N O3 S -","- C52 H60 Br2 N2 O6 S2 -","2","1","","Wenzeng Duan; Yudao Ma; Houqi Xia; Xueying Liu; Qingshuang Ma; Junshan Sun","Design and Synthesis of Planar Chiral Heterocyclic Carbene Precursors Derived from [2.2]Paracyclophane","Journal of Organic Chemistry","2008","73","","4330","4333","10.1021/jo800468x","","","0.71073","MoKα","","0.0704","0.0553","","","0.1487","0.1616","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023481","5.297","0.01","15.04","0.04","7.486","0.011","90","","103.13","0.14","90","","581","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Atsushi Shirai; Okiko Miyata; Norimitsu Tohnai; Mikiji Miyata; David J. Procter; David Sucunza; Takeaki Naito","Total Synthesis of (-)-Martinellic Acid via Radical Addition-Cyclization-Elimination Reaction","Journal of Organic Chemistry","2008","73","","4464","4475","10.1021/jo800560p","","","1.54187","CuKα","","","0.0797","","","","0.2606","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023490","8.3873","0.0011","5.5964","0.0004","14.1809","0.0017","90","","100.65","0.004","90","","654.17","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","","Young Tak Lee; Young Keun Chung","Silver(I)-Catalyzed Facile Synthesis of Pyrazoles From Propargyl N-Sulfonylhydrazones","Journal of Organic Chemistry","2008","73","","4698","4701","10.1021/jo800663g","","","0.71073","MoKα","","0.0574","0.0431","","","0.096","0.1035","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023513","14.5968","0.0013","17.3664","0.0016","15.3345","0.0014","90","","91.59","0.001","90","","3885.7","0.6","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H45 N6 O7.5 -","- C42 H42 N6 O7.5 -","- C168 H168 N24 O30 -","4","2","","Hyuma Masu; Kosuke Katagiri; Takako Kato; Hiroyuki Kagechika; Masahide Tominaga; Isao Azumaya","Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal","Journal of Organic Chemistry","2008","73","","5143","5146","10.1021/jo800585h","","","0.71073","MoKα","","0.0898","0.0501","","","0.1151","0.1296","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023545","15.6068","0.0019","20.806","0.003","23.361","0.003","90","","91.114","0.002","90","","7584.4","1.6","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C114 H224 N10 O101 -","- C114 H162 N10 O101 -","- C228 H324 N20 O202 -","2","1","","Yu Liu; Zi-Xin Yang; Yong Chen","Syntheses and Self-Assembly Behaviors of the Azobenzenyl Modified β-Cyclodextrins Isomers","Journal of Organic Chemistry","2008","73","","5298","5304","10.1021/jo800488f","","","0.7107","MoKα","","0.0826","0.0763","","","0.201","0.2079","","","","","","1.033","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023569","14.4663","0.0004","26.1325","0.0007","17.0631","0.0005","90","","96.133","0.003","90","","6413.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C136 H164 N4 O21 -","- C136 H164 N4 O21 -","- C272 H328 N8 O42 -","2","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Anupam Khutia; Chebrolu P. Rao","Experimental and Computational Studies of Selective Recognition of Hg^2+^ by Amide Linked Lower Rim 1,3-Dibenzimidazole Derivative of Calix[4]arene: Species Characterization in Solution and that in the Isolated Complex, Including the Delineation of the Nanostructures","Journal of Organic Chemistry","2008","73","","5745","5758","10.1021/jo800073g","","","0.71073","MoKα","","0.1458","0.0863","","","0.1492","0.1814","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023587","8.675","0.002","15.232","0.004","11.263","0.003","90","","99.373","0.004","90","","1468.5","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","2","","Christian Dubs; Yoshitaka Hamashima; Naoki Sasamoto; Thomas M. Seidel; Shoko Suzuki; Daisuke Hashizume; Mikiko Sodeoka","Mechanistic Studies on the Catalytic Asymmetric Mannich-Type Reaction with Dihydroisoquinolines and Development of Oxidative Mannich-Type Reactions Starting from Tetrahydroisoquinolines","Journal of Organic Chemistry","2008","73","","5859","5871","10.1021/jo800800y","","","0.71073","MoKα","","0.0646","0.0489","","","0.097","0.1085","","","","","","1.018","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023593","6.4774","0.0002","19.6666","0.0006","9.2831","0.0002","90","","104.001","0.002","90","","1147.43","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C50 H68 N4 O4 -","2","1","","José M. Concellón; Ignacio A. Rivero; Humberto Rodríguez-Solla; Carmen Concellón; Estibaly España; Santiago García-Granda; M. R. Díaz","Totally Selective Synthesis of Enantiopure (3S,5S)- and (3R,5R)-4-Amino-3,5-dihydroxypiperidines from Aminodiepoxides Derived from Serine","Journal of Organic Chemistry","2008","73","","6048","6051","10.1021/jo801058c","","","1.5418","CuKα","","0.0472","0.0438","","","0.112","0.116","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023600","7.849","0.004","9.768","0.009","17.364","0.008","90","","98.86","0.04","90","","1315.4","1.5","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 F3 N O2 -","- C26 H36 F3 N O2 -","- C52 H72 F6 N2 O4 -","2","1","","Sophie Lauzon; François Tremblay; David Gagnon; Cédrickx Godbout; Christine Chabot; Catherine Mercier-Shanks; Stéphane Perreault; Hélène DeSève; Claude Spino","Sterically Biased 3,3-Sigmatropic Rearrangement of Chiral Allylic Azides: Application to the Total Syntheses of Alkaloids","Journal of Organic Chemistry","2008","73","","6239","6250","10.1021/jo800817p","","","1.54176","CuKα","","0.0865","0.072","","","0.1949","0.2087","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023602","11.9908","0.0014","18.563","0.002","15.3829","0.0017","90","","95.461","0.007","90","","3408.5","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 O11 S -","- C34 H42 O11 S -","- C136 H168 O44 S4 -","4","2","","Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto","Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol","Journal of Organic Chemistry","2008","73","","6172","6181","10.1021/jo800855n","","","0.71073","MoKα","","0.0855","0.0467","","","0.1086","0.1282","","","","","","1.009","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023611","12.504","0.0004","5.695","0.0002","13.717","0.0004","90","0.002","96.026","0.002","90","0.002","971.39","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24 O4 S -","- C23 H24 O4 S -","- C46 H48 O8 S2 -","2","1","","Santiago Barroso; Gonzalo Blay; Lina Al-Midfa; M. Carmen Muñoz; José R. Pedro","Copper(II)-Bis(oxazoline) Catalyzed Asymmetric Diels-Alder Reaction with α-Arylsulfonyl Enones as Dienophiles","Journal of Organic Chemistry","2008","73","","6389","6392","10.1021/jo8009227","","","0.71073","MoKα","","0.0682","0.0431","","","0.0819","0.0893","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023618","9.152","0.0018","5.3065","0.0011","16.311","0.003","90","","104.65","0.03","90","","766.4","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O7 -","- C14 H24 O7 -","- C28 H48 O14 -","2","1","","Shankar D. Markad; Shijing Xia; Nicole L. Snyder; Bikash Surana; Martha D. Morton; Christopher M. Hadad; Mark W. Peczuh","Stereoselectivity in the Epoxidation of Carbohydrate-Based Oxepines","Journal of Organic Chemistry","2008","73","","6341","6354","10.1021/jo800979a","","","0.71073","MoKα","","0.1746","0.0955","","","0.2251","0.2732","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023619","11.0731","0.0009","9.0461","0.0007","27.116","0.002","90","","96.247","0.0015","90","","2700","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19.33 H25.67 Cl0.67 N O4 -","- C19.3333 H25.6667 Cl0.666667 N O4 -","- C116 H154 Cl4 N6 O24 -","6","3","","Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin","Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets","Journal of Organic Chemistry","2008","73","","6448","6451","10.1021/jo801019h","","","0.71073","MoKα","","0.1595","0.0565","","","0.1022","0.1368","","","","","","0.988","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023620","7.5974","0.0006","8.9918","0.0007","14.688","0.0012","90","","94.5685","0.0013","90","","1000.21","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Cl2 N O4 -","- C20 H27 Cl2 N O4 -","- C40 H54 Cl4 N2 O8 -","2","1","","Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin","Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets","Journal of Organic Chemistry","2008","73","","6448","6451","10.1021/jo801019h","","","0.71073","MoKα","","0.0375","0.0347","","","0.0884","0.0908","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023622","12.1475","0.0004","5.8505","0.00018","14.4422","0.0008","90","","113.81","0.003","90","","939.03","0.07","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-benzyl-1-(p-bromophenyl)-1,2,3,4-tetrahydro-beta-carboline","","- C24 H21 Br N2 -","- C24 H21 Br N2 -","- C48 H42 Br2 N4 -","2","1","","Nishant V. Sewgobind; Martin J. Wanner; Steen Ingemann; René de Gelder; Jan H. van Maarseveen; Henk Hiemstra","Enantioselective BINOL-Phosphoric Acid Catalyzed Pictet-Spengler Reactions of N-Benzyltryptamine","Journal of Organic Chemistry","2008","73","","6405","6408","10.1021/jo8010478","","","0.71073","MoKα","","0.0754","0.0445","","0.0577","0.0524","0.0577","","","1.039","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023626","10.2154","0.0008","21.8191","0.0017","11.5734","0.0009","90","","106.447","0.002","90","","2474.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O5 S2 -","- C24 H29 N O5 S2 -","- C96 H116 N4 O20 S8 -","4","2","","Belén Vázquez; Raquel Pereira; Martιn Pérez; Rosana Álvarez; Angel R. de Lera","Stereoselective Stille Coupling of Enantiopure Haloallenes and Alkenylstannanes for the Synthesis of Allenyl Carotenoids. Experimental and Computational Studies","Journal of Organic Chemistry","2008","73","","6534","6541","10.1021/jo800756b","","","0.71073","MoKα","","0.06","0.04","","","0.0652","0.0695","","","","","","0.862","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023631","6.7869","0.0003","11.0482","0.0007","11.0367","0.0005","90","","94.034","0.003","90","","825.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Igor Busygin; Ville Nieminen; Antti Taskinen; Jari Sinkkonen; Esa Toukoniitty; Reijo Sillanpää; Dmitry Yu. Murzin; Reko Leino","A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers","Journal of Organic Chemistry","2008","73","","6559","6569","10.1021/jo8008462","","x-ray","0.71073","MoKα","","0.0625","0.051","","","0.1008","0.1074","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023637","11.1125","0.0012","5.819","0.0005","13.5233","0.0014","90","","96.002","0.006","90","","869.67","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C36 H62 N2 O4 -","2","1","","Gregory R. Dake; Erik E. Fenster; Brian O. Patrick","A Synthetic Approach to the Fusicoccane A-B Ring Fragment Based on a Pauson-Khand Cycloaddition/Norrish Type 1 Fragmentation","Journal of Organic Chemistry","2008","73","","6711","6715","10.1021/jo800933f","","","0.71073","MoKα","","0.0544","0.0452","","","0.1087","0.1148","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023645","5.5158","0.0007","6.7186","0.0008","21.89","0.003","90","","92.815","0.003","90","","810.23","0.17","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-heptyl-5-methyl-3-methylenehexahydro-4H-furo[2,3-b]pyran-4,5-diol","","- C16 H28 O4 -","- C16 H28 O4 -","- C32 H56 O8 -","2","1","","Derrick L. J. Clive; Minaruzzaman; Haikang Yang","The Naturally Occurring Ketene Acetal Benesudon: Total Synthesis and Assignment of Relative and Absolute Stereochemistry","Journal of Organic Chemistry","2008","73","","6743","6752","10.1021/jo801028y","","","0.71073","MoKα","","0.094","0.0663","","","0.1584","0.1771","","","","","","1.05","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023648","8.535","0.003","5.718","0.002","18.512","0.006","90","","96.634","0.005","90","","897.3","0.5","163.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","","Hitoshi Harada; Reema K. Thalji; Robert G. Bergman; Jonathan A. Ellman","Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation","Journal of Organic Chemistry","2008","73","","6772","6779","10.1021/jo801098z","","","0.7107","MoKα","","0.062","0.038","","0.0442","","0.0404","","","","","","1.564","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023649","8.7592","0.0009","15.607","0.002","12.872","0.001","90","","97.255","0.002","90","","1745.6","0.3","261.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Br N3 O3 -","- C18 H18 Br N3 O3 -","- C72 H72 Br4 N12 O12 -","4","2","","Hitoshi Harada; Reema K. Thalji; Robert G. Bergman; Jonathan A. Ellman","Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation","Journal of Organic Chemistry","2008","73","","6772","6779","10.1021/jo801098z","","","0.7107","MoKα","","0.0428","0.0348","","0.039","","0.0376","","","","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023653","11.31","0.002","7.3489","0.0013","11.365","0.002","90","","118.156","0.003","90","","832.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C32 H34 Br2 O8 -","2","1","","Jun-Cheng Zheng; Chun-Yin Zhu; Xiu-Li Sun; Yong Tang; Li-Xin Dai","Highly Diastereoselective and Enantioselective Formal [4 + 1] Ylide Annulation for the Synthesis of Optically Active Dihydrofurans","Journal of Organic Chemistry","2008","73","","6909","6912","10.1021/jo801135j","","","0.71073","MoKα","","0.1101","0.0946","","","0.2239","0.2343","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023669","5.2144","0.0006","15.5943","0.0012","11.3014","0.0012","90","","95.382","0.014","90","","914.92","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O8 S -","- C15 H21 N O8 S -","- C30 H42 N2 O16 S2 -","2","1","","Johan D. M. Olsson; Lars Eriksson; Martina Lahmann; Stefan Oscarson","Investigations of Glycosylation Reactions with 2-N-Acetyl-2N,3O-oxazolidinone-Protected Glucosamine Donors","Journal of Organic Chemistry","2008","73","","7181","7188","10.1021/jo800971s","","","0.71073","MoKα","","0.0707","0.0562","","","0.1562","0.1697","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023672","10.763","0.0004","4.9097","0.0002","16.0598","0.0007","90","","92.166","0.003","90","","848.04","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","1","","Dusan Hesek; Mijoon Lee; Takao Yamaguchi; Bruce C. Noll; Shahriar Mobashery","Facile Preparation of a Highly Functionalized Tetrahydropyran by Catalytic Hydrogenation of an Oxazoline","Journal of Organic Chemistry","2008","73","","7349","7352","10.1021/jo801037z","","x-ray","1.54178","CuKα","","0.0415","0.038","","","0.1005","0.1021","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023696","9.3954","0.0019","6.4979","0.0013","15.002","0.003","90","","97.56","0.03","90","","907.9","0.3","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","","Gerhard Brunner; Laura Eberhard; Jürg Oetiker; Fridtjof Schröder","Tandem Cyclopropanation with Dibromomethane under Grignard Conditions","Journal of Organic Chemistry","2008","73","","7543","7554","10.1021/jo8007397","","","0.71073","MoKα","","0.1526","0.123","","","0.3576","0.3745","","","","","","1.325","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023707","11.8014","0.0003","5.5198","0.0001","14.1673","0.0004","90","","97.758","0.001","90","","914.43","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-brunsvigine diacetate","(1S,13S,15R,16S)-15-(Methylcarbonyloxy)5,7-dioxa-12-azapentacyclo [10.6.1.02,10.04,8.013,18]nonadeca-2(10),3,8,17-tetraen-16-ylacetate","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","1","","An-Wei Hong; Tsung-Hui Cheng; Vellingiri Raghukumar; Chin-Kang Sha","An Expedient Route to Montanine-Type Amaryllidaceae Alkaloids: Total Syntheses of (-)-Brunsvigine and (-)-Manthine","Journal of Organic Chemistry","2008","73","","7580","7585","10.1021/jo801089y","","","0.71073","MoKα","","0.0548","0.0501","","","0.1342","0.1419","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023720","7.6126","0.0013","5.4946","0.0009","21.26","0.004","90","","94.298","0.004","90","","886.8","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H29 N O6 -","- C17 H29 N O6 -","- C34 H58 N2 O12 -","2","1","","Joshua G. Pierce; Dhanalakshmi Kasi; Makoto Fushimi; Anthony Cuzzupe; Peter Wipf","Synthesis of Hydroxylated Bicyclic Amino Acids from L-Tyrosine: Octahydro-1H-indole Carboxylates","Journal of Organic Chemistry","2008","73","","7807","7810","10.1021/jo801552j","","","0.71073","MoKα","","0.0942","0.0549","","","0.1254","0.1418","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023726","5.709","0.0011","15.564","0.003","9.005","0.0018","90","","95.57","0.03","90","","796.4","0.3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl3 N O5 P -","- C12 H15 Cl3 N O5 P -","- C24 H30 Cl6 N2 O10 P2 -","2","1","","Diederica D. Claeys; Kristof Moonen; Bart I. Roman; Victor N. Nemykin; Viktor V. Zhdankin; Michel Waroquier; Veronique Van Speybroeck; Christian V. Stevens","Synthesis of Tricyclic Phosphonopyrrolidines via IMDAF: Experimental and Theoretical Investigation of the Observed Stereoselectivity","Journal of Organic Chemistry","2008","73","","7921","7927","10.1021/jo801138s","","","0.71073","MoKα","","0.0651","0.0589","","0.1503","0.1444","0.1444","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023762","6.6437","0.0006","9.2713","0.0008","11.2039","0.0012","90","","107.245","0.004","90","","659.09","0.11","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 I O3 -","- C12 H17 I O3 -","- C24 H34 I2 O6 -","2","1","","Quan Zhou; Barry B. Snider","Synthesis of (±)- and (-)-Vibralactone and Vibralactone C","Journal of Organic Chemistry","2008","73","","8049","8056","10.1021/jo8015743","","","0.71073","MoKα","","0.0148","0.0146","","0.0385","0.0384","0.0385","","","","","","0.9875","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023770","6.004","0.002","24.154","0.009","9.443","0.002","90","","94.47","0.02","90","","1365.3","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H23 Cl3 N2 O3 S -","- C29 H23 Cl3 N2 O3 S -","- C58 H46 Cl6 N4 O6 S2 -","2","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.0638","0.0479","","","0.0943","0.1023","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023807","6.1635","0.0007","10.3337","0.0011","23.006","0.003","90","","97.226","0.001","90","","1453.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","2","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0643","0.0424","","","0.1008","0.1183","","","","","","0.958","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023808","6.5507","0.001","26.882","0.004","9.8409","0.0014","90","","106.953","0.002","90","","1657.6","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O2 -","- C17 H28 N2 O2 -","- C68 H112 N8 O8 -","4","2","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0423","0.0365","","","0.0857","0.09","","","","","","0.88","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023830","10.885","0.002","9.4701","0.0019","12.124","0.002","90","","114.36","0.03","90","","1138.5","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N3 O3 -","- C23 H33 N3 O3 -","- C46 H66 N6 O6 -","2","1","","Xue-Li Geng; Jia Wang; Guo-Xing Li; Peng Chen; Shu-Fang Tian; Jin Qu","Kinetic Resolution of Racemic Alcohols Using Thioamide Modified 1-Methyl-histidine Methyl Ester","Journal of Organic Chemistry","2008","73","","8558","8562","10.1021/jo801859m","","","0.71073","MoKα","","0.0671","0.0533","","","0.1355","0.1556","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023832","12.9727","0.0015","8.4486","0.001","16.2114","0.0019","90","","94.171","0.003","90","","1772.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 Ni O5 -","- C39 H40 N4 Ni O5 -","- C78 H80 N8 Ni2 O10 -","2","1","","Jiang Wang; Ting Shi; Guanghui Deng; Hualiang Jiang; Hong Liu","Highly Enantio- and Diastereoselective Mannich Reactions of Chiral Ni(II) Glycinates with Amino Sulfones. Efficient Asymmetric Synthesis of Aromatic α,β-Diamino Acids","Journal of Organic Chemistry","2008","73","","8563","8570","10.1021/jo8019169","","","0.71073","MoKα","","0.1134","0.0825","","","0.1926","0.2291","","","","","","0.945","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023833","12.9478","0.0016","8.4269","0.0011","16.178","0.002","90","","94.156","0.003","90","","1760.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 Ni O5 -","- C39 H40 N4 Ni O5 -","- C78 H80 N8 Ni2 O10 -","2","1","","Jiang Wang; Ting Shi; Guanghui Deng; Hualiang Jiang; Hong Liu","Highly Enantio- and Diastereoselective Mannich Reactions of Chiral Ni(II) Glycinates with Amino Sulfones. Efficient Asymmetric Synthesis of Aromatic α,β-Diamino Acids","Journal of Organic Chemistry","2008","73","","8563","8570","10.1021/jo8019169","","","0.71073","MoKα","","0.0949","0.0615","","","0.1133","0.128","","","","","","0.869","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023841","13.3412","0.0013","8.657","0.003","14.001","0.006","90","","102.904","0.006","90","","1576.3","0.9","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Ziyad F. Al-Rashid; Whitney L. Johnson; Richard P. Hsung; Yonggang Wei; Pei-Yuan Yao; Renhei Liu; Kang Zhao","Synthesis of α-Keto-Imides via Oxidation of Ynamides","Journal of Organic Chemistry","2008","73","","8780","8784","10.1021/jo8015067","","","0.7107","MoKα","","0.0956","0.0472","","","0.1031","0.1338","","","","","","0.799","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023894","9.995","0.011","18.285","0.009","13.353","0.007","90","","100.118","0.004","90","","2402.4","3.1","150.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H62 F6 N O10 P -","- C46 H62 F6 N O10 P -","- C92 H124 F12 N2 O20 P2 -","2","1","","Yoshimasa Makita; Nobuhiro Kihara; Toshikazu Takata","Quantitative Active Transport in [2]Rotaxane Using a One-Shot Acylation Reaction toward the Linear Molecular Motor","Journal of Organic Chemistry","2008","73","","9245","9250","10.1021/jo8013726","","","0.7107","MoKα","","","0.058","","","","0.17","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023901","13.876","0.003","5.9143","0.0012","14.299","0.003","90","","100.581","0.002","90","","1153.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 Br O3 -","- C26 H31 Br O3 -","- C52 H62 Br2 O6 -","2","1","","Douglass F. Taber; James F. Berry; Timothy J. Martin","Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid","Journal of Organic Chemistry","2008","73","","9334","9339","10.1021/jo801781v","","","0.71073","MoKα","","0.0295","0.0281","","","0.0702","0.0718","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023906","10.3207","0.0003","7.6282","0.0003","12.6921","0.0005","90","","112.593","0.002","90","","922.54","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O6 S -","- C19 H22 O6 S -","- C38 H44 O12 S2 -","2","1","","José L. García Ruano; Alberto Núñez, Jr.; M. Rosario Martín; Alberto Fraile","Totally Regio- and Stereoselective Behavior of Mono- and Diactivated Cyclic Alkenes in the Lu Reaction: Synthesis of Enantiopure Functionalized Cyclopentanes","Journal of Organic Chemistry","2008","73","","9366","9371","10.1021/jo801896a","","","1.54178","CuKα","","0.0385","0.0381","","","0.097","0.0974","","","","","","1.042","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023907","11.0995","0.0002","7.8075","0.0001","11.6718","0.0002","90","","99.582","0.001","90","","997.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 S -","- C20 H24 O6 S -","- C40 H48 O12 S2 -","2","1","","José L. García Ruano; Alberto Núñez, Jr.; M. Rosario Martín; Alberto Fraile","Totally Regio- and Stereoselective Behavior of Mono- and Diactivated Cyclic Alkenes in the Lu Reaction: Synthesis of Enantiopure Functionalized Cyclopentanes","Journal of Organic Chemistry","2008","73","","9366","9371","10.1021/jo801896a","","","1.54178","CuKα","","0.0361","0.0343","","","0.0868","0.0886","","","","","","1.033","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023915","12.6545","0.0008","6.4943","0.0006","15.007","0.0012","90","","109.347","0.003","90","","1163.66","0.16","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H37 N O3 S -","- C24 H37 N O3 S -","- C48 H74 N2 O6 S2 -","2","1","","Peter Webber; Michael J. Krische","Concise Stereocontrolled Formal Synthesis of (\±)-Quinine and Total Synthesis of (\±)-7- Hydroxyquinine via Merged Morita‒Baylis‒Hillman‒Tsuji‒Trost Cyclization","Journal of Organic Chemistry","2008","73","","9379","9387","10.1021/jo802165k","","","0.71073","MoKα","","0.193","0.0692","","","0.1023","0.124","","","","","","1.196","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023921","11.0384","0.001","5.4963","0.0004","11.9439","0.0013","90","","98.016","0.008","90","","717.56","0.12","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C32 H42 N2 O4 -","2","1","","Jeanne Alladoum; Sylvain Roland; Emmanuel Vrancken; Pierre Mangeney; Catherine Kadouri-Puchot","Short Enantioselective Syntheses of trans-5-Alkylprolines from New Functionalized Amino Alcohols","Journal of Organic Chemistry","2008","73","","9771","9774","10.1021/jo8014243","","","0.71073","MoKα","","0.0472","0.0364","","0.0503","0.0432","0.0432","","","","","","1.0925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023924","7.6742","0.0002","13.4254","0.0003","13.2089","0.0003","90","","94.302","0.002","90","","1357.07","0.06","100","","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","2","","Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State","Journal of Organic Chemistry","2008","73","","9539","9543","10.1021/jo801576k","","","0.71073","MoKα","","0.0929","0.0545","","","0.1298","0.159","","","","","","0.855","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023925","9.5204","0.0003","6.5582","0.0002","13.2707","0.0004","90","","91.632","0.002","90","","828.24","0.04","373","2","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C36 H42 N2 O12 -","2","1","","Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State","Journal of Organic Chemistry","2008","73","","9539","9543","10.1021/jo801576k","","","0.71073","MoKα","","0.0492","0.0382","","","0.1066","0.1184","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023931","16.481","0.004","7.997","0.003","11.861","0.003","90","","105.21","0.02","90","","1508.6","0.7","298.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H44 N2 O3 -","- C34 H44 N2 O3 -","- C68 H88 N4 O6 -","2","1","","Takayasu Yamauchi; Sachi Hagiwara; Kimio Higashiyama","Concise Total Synthesis of (-)-Deoxocuscohygrine and (-)-Dihydrocuscohygrine","Journal of Organic Chemistry","2008","73","","9784","9787","10.1021/jo801700f","","","1.5418","CuKα","","","0.05","","","","0.057","","","","","","4.547","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023937","10.6239","0.001","7.828","0.0004","11.6847","0.001","90","","97.956","0.003","90","","962.39","0.13","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O5 -","- C18 H32 O5 -","- C36 H64 O10 -","2","1","","Gary E. Keck; Robert L. Giles; Victor J. Cee; Carrie A. Wager; Tao Yu; Matthew B. Kraft","Total Synthesis of Epothilones B and D: Stannane Equivalents for β-Keto Ester Dianions","Journal of Organic Chemistry","2008","73","","9675","9691","10.1021/jo802215v","","","0.71073","MoKα","","0.1094","0.0585","","","0.1166","0.1359","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023943","13.0227","0.0008","9.1344","0.0006","14.7121","0.0009","90","","94.405","0.002","90","","1744.9","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H56 O7 Si -","- C34 H56 O7 Si -","- C68 H112 O14 Si2 -","2","1","","Martin Juhl; Rune Monrad; Inger Søtofte; David Tanner","Toward the Synthesis of Norzoanthamine: Complete Fragment Assembly","Journal of Organic Chemistry","2007","72","","4644","4654","10.1021/jo070165r","","","0.71073","MoKα","","0.0996","0.0826","","","0.204","0.217","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023954","10.13","0.003","26.145","0.007","11.359","0.003","90","","110.101","0.001","90","","2825.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2(S)-iso-propyl-5-phenylethynyl-2,3-dihydro-4(H)-pyrimidin-4-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C132 H120 N12 O12 -","6","3","","Blanca R. Díaz-Sánchez; Martín A. Iglesias-Arteaga; Roberto Melgar-Fernández; Eusebio Juaristi","Synthesis of 2-Substituted-5-halo-2,3-dihydro-4(H)-pyrimidin-4-ones and Their Derivatization Utilizing the Sonogashira Coupling Reaction in the Enantioselective Synthesis of α-Substituted β-Amino Acids","Journal of Organic Chemistry","2007","72","","4822","4825","10.1021/jo0705115","","","0.71073","MoKα","","0.1445","0.0474","","","0.0949","0.1321","","","","","","0.858","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023962","11.0197","0.0004","5.7705","0.0002","16.742","0.0006","90","","105.061","0.002","90","","1028.04","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H38 O3 -","- C22 H38 O3 -","- C44 H76 O6 -","2","1","","Izabella Jastrzebska; Jamie B. Scaglione; Gregory T. DeKoster; Nigam P. Rath; Douglas F. Covey","Palladium-Catalyzed Potassium Enoxyborate Alkylation of Enantiopure Hajos-Parrish Indenone To Construct Rearranged Steroid Ring Systems","Journal of Organic Chemistry","2007","72","","4837","4843","10.1021/jo070530e","","","0.71073","MoKα","","0.0962","0.0513","","","0.0943","0.1015","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023963","9.699","0.0005","6.4806","0.0003","11.9721","0.0005","90","","100.592","0.003","90","","739.69","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C36 H52 O4 -","2","1","","Izabella Jastrzebska; Jamie B. Scaglione; Gregory T. DeKoster; Nigam P. Rath; Douglas F. Covey","Palladium-Catalyzed Potassium Enoxyborate Alkylation of Enantiopure Hajos-Parrish Indenone To Construct Rearranged Steroid Ring Systems","Journal of Organic Chemistry","2007","72","","4837","4843","10.1021/jo070530e","","","0.71073","MoKα","","0.0514","0.0392","","","0.0816","0.0869","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023976","9.9355","0.0011","8.8757","0.0011","23.088","0.003","90","","94.968","0.003","90","","2028.4","0.4","298","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Phenyl 2,4,6-tri-O-acetyl-3-azido-3-deoxy-/b/-D-thiomannopyranoside","","- C18 H21 N3 O7 S -","- C18 H21 N3 O7 S -","- C72 H84 N12 O28 S4 -","4","2","","David Crich; Huadong Xu","Direct Stereocontrolled Synthesis of 3-Amino-3-deoxy-β-Mannopyranosides: Importance of the Nitrogen Protecting Group on Stereoselectivity","Journal of Organic Chemistry","2007","72","","5183","5192","10.1021/jo070473p","","","0.71073","MoKα","","0.283","0.1037","","","0.0899","0.1236","","","","","","0.97","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4023981","9.2845","0.0007","5.924","0.0005","16.6375","0.0013","90","","91.433","0.001","90","","914.8","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C38 H50 N2 O12 -","2","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","","0.71073","MoKα","","0.0399","0.0328","","","0.0797","0.0838","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023984","8.227","0.003","28.911","0.009","8.895","0.003","90","","114.81","0.03","90","","1920.4","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","2","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.1165","0.0612","","","0.1624","0.2041","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023985","7.459","0.0018","6.823","0.003","15.722","0.004","90","","98.726","0.019","90","","790.9","0.4","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.0745","0.0529","","","0.1291","0.141","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023997","9.333","0.0003","11.141","0.0005","11.281","0.0005","90","","93.341","0.003","90","","1170.99","0.08","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O12 -","- C20 H30 N2 O12 -","- C40 H60 N4 O24 -","2","1","","Gonzalo Jiménez-Osés; Carlos Aydillo; Jesús H. Busto; María M. Zurbano; Jesús M. Peregrina; Alberto Avenoza","Role of the Countercation in Diastereoselective Alkylations of Pyramidalized Bicyclic Serine Enolates. An Easy Approach to α-Benzylserine","Journal of Organic Chemistry","2007","72","","5399","5402","10.1021/jo070656b","","","0.71073","MoKα","","0.1193","0.0597","","","0.13","0.1607","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023998","9.3175","0.0003","11.1152","0.0003","11.2197","0.0004","90","","93.417","0.0015","90","","1159.91","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O12 -","- C20 H30 N2 O12 -","- C40 H60 N4 O24 -","2","1","","Gonzalo Jiménez-Osés; Carlos Aydillo; Jesús H. Busto; María M. Zurbano; Jesús M. Peregrina; Alberto Avenoza","Role of the Countercation in Diastereoselective Alkylations of Pyramidalized Bicyclic Serine Enolates. An Easy Approach to α-Benzylserine","Journal of Organic Chemistry","2007","72","","5399","5402","10.1021/jo070656b","","","0.71073","MoKα","","0.0699","0.0458","","","0.0971","0.1072","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024041","7.926","","13.267","","14.196","","90","","90.08","","90","","1492.6","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 O10 S -","- C28 H34 O10 S -","- C56 H68 O20 S2 -","2","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0817","0.053","","","0.1432","0.1689","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024043","10.843","","7.3","","11.813","","90","","90.36","","90","","935","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O8 S -","- C17 H21 N O8 S -","- C34 H42 N2 O16 S2 -","2","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0413","0.0366","","","0.1623","0.1713","","","","","","0.85","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024054","13.068","0.005","12.86","0.003","13.187","0.003","90","","111.22","0.03","90","","2065.8","1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H34 N10 O14 -","- C43 H34 N10 O14 -","- C86 H68 N20 O28 -","2","1","","Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel","Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups","Journal of Organic Chemistry","2007","72","","5618","5624","10.1021/jo070534j","","","0.71073","MoKα","","0.1305","0.05","","","0.0689","0.0843","","","","","","1.025","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024066","9.093","0.0013","15.335","0.002","17.377","0.003","90","","90.224","0.002","90","","2423.1","0.6","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H56 O12 P2 -","- C55 H56 O12 P2 -","- C110 H112 O24 P4 -","2","1","","Davide Bello; Tashfeen Aslam; Geert Bultynck; Alexandra M. Z. Slawin; H. Llewelyn Roderick; Martin D. Bootman; Stuart J. Conway","Synthesis and Biological Action of Novel 4-Position-Modified Derivatives of D-myo-Inositol 1,4,5-Trisphosphate","Journal of Organic Chemistry","2007","72","","5647","5659","10.1021/jo070611a","","","0.71073","MoKα","","0.0305","0.03","","","0.0766","0.0774","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024068","10.4553","0.0009","23.32","0.002","13.9462","0.0012","90","","92.526","0.006","90","","3397","0.5","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H46 O6 -","- C38 H46 O6 -","- C152 H184 O24 -","4","2","","Masayuki Yamashita; Navnath Dnyanoba Yadav; Takeshi Sawaki; Ikuko Takao; Ikuo Kawasaki; Yasuko Sugimoto; Akemi Miyatake; Kousuke Murai; Ayano Takahara; Ai Kurume; Shunsaku Ohta","Asymmetric Total Synthesis of (-)-Linderol A","Journal of Organic Chemistry","2007","72","","5697","5703","10.1021/jo070682+","","","1.54187","CuKα","","","0.0492","","","","0.147","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024069","8.0442","0.0008","9.0713","0.0009","18.9881","0.0018","90","","91.249","0.006","90","","1385.3","0.2","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O6 -","- C32 H34 O6 -","- C64 H68 O12 -","2","1","","Masayuki Yamashita; Navnath Dnyanoba Yadav; Takeshi Sawaki; Ikuko Takao; Ikuo Kawasaki; Yasuko Sugimoto; Akemi Miyatake; Kousuke Murai; Ayano Takahara; Ai Kurume; Shunsaku Ohta","Asymmetric Total Synthesis of (-)-Linderol A","Journal of Organic Chemistry","2007","72","","5697","5703","10.1021/jo070682+","","","1.54187","CuKα","","","0.0499","","","","0.1432","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024071","10.224","0.005","9.366","0.005","16.942","0.009","90","0","92.86","0.04","90","0","1620.4","1.4","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O2 -","- C38 H52 N2 O2 -","- C76 H104 N4 O4 -","2","1","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0878","0.0677","","","0.186","0.2183","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024073","10.6078","0.0003","11.6253","0.0003","13.1419","0.0003","90","","92.734","0.002","90","","1618.8","0.07","95","2","95","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","2","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0519","0.0367","","","0.0782","0.0846","","","","","","0.978","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024074","8.633","0.003","9.999","0.003","13.048","0.005","90","0","95.02","0.03","90","0","1122","0.7","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N2 O4 -","- C23 H32 N2 O4 -","- C46 H64 N4 O8 -","2","1","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0453","0.0402","","","0.0965","0.1016","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024085","9.6663","0.0013","10.7795","0.0014","10.0018","0.0012","90","","97.002","0.005","90","","1034.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O3 S2 -","- C22 H20 N2 O3 S2 -","- C44 H40 N4 O6 S4 -","2","1","","José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso","Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2007","72","","5994","6005","10.1021/jo0705519","","","1.54178","CuKα","","0.0636","0.0566","","","0.1369","0.1428","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024086","12.5771","0.0007","11.765","0.0006","15.0272","0.0008","90","","92.852","0.002","90","","2220.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H50 Cl2 N4 O2 S2 -","- C49 H50 Cl2 N4 O2 S2 -","- C98 H100 Cl4 N8 O4 S4 -","2","1","","José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso","Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2007","72","","5994","6005","10.1021/jo0705519","","","1.54178","CuKα","","0.0528","0.0444","","","0.1081","0.1138","","","","","","1.016","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024089","6.7633","0.0002","13.7539","0.0004","17.2571","0.0004","90","","96.485","0.002","90","","1595.01","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,3,5-Trimehyl-10b-phenyl-2,3-dihydro-10bH-[1,3]oxazolo[2,3-a]isoquinoline","","- C40 H42 N2 O2 -","- C40 H42 N2 O2 -","- C80 H84 N4 O4 -","2","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna","Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes","Journal of Organic Chemistry","2007","72","","6316","6319","10.1021/jo070708x","","","0.71073","MoKα","","0.0345","0.0314","","","0.0773","0.08","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024093","10.342","0.001","7.731","0.001","20.344","0.003","90","","100.453","0.001","90","","1599.5","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Paquette 1451","","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C60 H72 N16 O24 -","4","2","","Emel Adaligil; Barry D. Davis; David G. Hilmey; Young Shen; Jason M. Spruell; Jennifer S. Brodbelt; K. N. Houk; Leo A. Paquette","Synthesis of, and Structural Assignments to the Stereoisomers of Bis (2,2')- and Tris (2,2',2' ')-Tetrahydrofurans: Conformational Features and Ionic Binding Capacities of These Gateway Polycyclic Networks","Journal of Organic Chemistry","2007","72","","6215","6223","10.1021/jo0708238","","x-ray","0.71073","MoKα","","0.0456","0.0371","","","0.0931","0.0978","","","","","","1.031","","","","has coordinates,has disorder","178419","2020-10-21","18:00:00",""
"4024099","10.8981","0.001","8.7698","0.0008","10.9656","0.001","90","","91.19","0.01","90","","1047.8","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-{(4S,5S)-4,5-diphenyl-[1,3,2]dioxaborolan-2-yl}- pyrrolidine-1-carboxylic acid tert-butyl ester","","- C23 H28 B N O4 -","- C23 H28 B N O4 -","- C46 H56 B2 N2 O8 -","2","1","","Andrei S. Batsanov; Christophe Grosjean; Thorben Schütz; Andrew Whiting","A (-)-Sparteine-Directed Highly Enantioselective Synthesis of Boroproline. Solid- and Solution-State Structure and Properties","Journal of Organic Chemistry","2007","72","","6276","6279","10.1021/jo0708792","","","0.71073","MoKα","","0.0497","0.0376","","","0.0791","0.084","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024100","9.795","0.0016","8.637","0.0018","9.836","0.0015","90","","103.874","0.012","90","","807.8","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau","Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization","Journal of Organic Chemistry","2007","72","","6280","6283","10.1021/jo0708893","","","1.5418","CuKα","","0.0422","0.0315","","","0.0711","0.078","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024135","7.1887","0.0001","7.5136","0.0001","9.5782","0.0001","90","","96.1275","0.0009","90","","514.392","0.011","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 Cl N O3 -","- C10 H12 Cl N O3 -","- C20 H24 Cl2 N2 O6 -","2","1","","Nicolas Joubert; Radek Pohl; Blanka Klepetářová; Michal Hocek","Modular and Practical Synthesis of 6-Substituted Pyridin-3-yl C-Nucleosides","Journal of Organic Chemistry","2007","72","","6797","6805","10.1021/jo0709504","","","1.54184","CuKα","","0.029","0.0288","","0.0328","0.0327","0.0327","","","","","","0.9217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024140","10.1187","0.0015","9.4944","0.0014","14.032","0.002","90","","97.056","0.008","90","","1337.8","0.3","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C62 H74 N2 O4 -","2","1","","Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa","Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes","Journal of Organic Chemistry","2007","72","","6786","6791","10.1021/jo071005i","","","1.54178","CuK'a","","","0.0542","","","","0.1711","","","","","","1.258","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024142","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","inv-CB6","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Simin Liu; Kimoon Kim; Lyle Isaacs","Mechanism of the Conversion of Inverted CB[6] to CB[6]","Journal of Organic Chemistry","2007","72","","6840","6847","10.1021/jo071034t","","","0.71073","MoKα","","0.0649","0.0431","","","0.0998","0.1129","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024146","10.4928","0.0006","17.4542","0.001","21.2109","0.0013","90","","91.888","0.001","90","","3882.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40.5 H37 Cl3 Fe O4 P2 Pd -","- C40.5 H37 Cl3 Fe O4 P2 Pd -","- C162 H148 Cl12 Fe4 O16 P8 Pd4 -","4","2","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.0694","0.0502","","","0.1101","0.1336","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024149","14.5994","0.0016","6.3161","0.0008","14.6613","0.0017","90","","105.935","0.007","90","","1300","0.3","165","2","165","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O9 S -","- C26 H27 N O9 S -","- C52 H54 N2 O18 S2 -","2","1","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.2833","0.0843","","","0.1149","0.1652","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024150","4.3258","0.0002","8.982","0.0004","8.4721","0.0004","90","","90.594","0.003","90","","329.16","0.03","165","2","165","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H5 N O S -","- C7 H5 N O S -","- C14 H10 N2 O2 S2 -","2","1","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.0538","0.0398","","","0.0677","0.0702","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024152","6.0966","0.0002","15.7561","0.0007","8.7435","0.0003","90","","103.906","0.003","90","","815.27","0.05","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Jesús López-Cantarero; M. Belén Cid; Thomas B. Poulsen; Marco Bella; José Luis García Ruano; Karl Anker Jørgensen","Intriguing Behavior of Cinchona Alkaloids in the Enantioselective Organocatalytic Hydroxyamination of α-Substituted-α-cyanoacetates","Journal of Organic Chemistry","2007","72","","7062","7065","10.1021/jo071186o","","x-ray","1.54178","CuKα","","0.0304","0.0294","","","0.0713","0.0717","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024154","6.6822","0.0008","7.4362","0.001","16.416","0.003","90","","99.948","0.017","90","","803.4","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Subhankar Tripathi; Biswajit G. Roy; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Synthesis of Oxepane Ring Containing Monocyclic, Conformationally Restricted Bicyclic and Spirocyclic Nucleosides from D-Glucose: A Cycloaddition Approach","Journal of Organic Chemistry","2007","72","","7427","7430","10.1021/jo070846m","","","0.71073","MoKα","","0.0607","0.041","","","0.0839","0.0916","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024157","10.342","0.0005","7.9843","0.0003","11.1511","0.0005","90","","109.152","0.002","90","","869.82","0.07","293","2","293","2","","","","","","","firstly synthesized","4","P 1 21 1","P 2yb","4","trans 5,6,7,8-tetrahydro-5,7-diphenylquinoline hydrochloride","trans 5,6,7,8-tetrahydro-5,7-diphenylquinoline hydrochloride","","- C21 H20 Cl N -","- C21 H20 Cl N -","- C42 H40 Cl2 N2 -","2","1","","Konstantin Yu. Koltunov; G.K. Surya Prakash; Golam Rasul; George A. Olah","Superacidic Activation of Quinoline and Isoquinoline; Their Reactions with Cyclohexane and Benzene","Journal of Organic Chemistry","2007","72","","7394","7397","10.1021/jo070875x","","","0.71073","MoKα","","0.0345","0.0303","","","0.0753","0.0771","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024185","11.384","0.0013","10.6382","0.0012","20.331","0.002","90","","90.589","0.002","90","","2462.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 Br O3 -","- C27 H35 Br O3 -","- C108 H140 Br4 O12 -","4","2","","Amy L. Lane; Elizabeth P. Stout; Mark E. Hay; Anne C. Prusak; Kenneth Hardcastle; Craig R. Fairchild; Scott G. Franzblau; Karine Le Roch; Jacques Prudhomme; William Aalbersberg; Julia Kubanek","Callophycoic Acids and Callophycols from the Fijian Red Alga Callophycus serratus","Journal of Organic Chemistry","2007","72","","7343","7351","10.1021/jo071210y","","","0.71073","MoKα","","0.1197","0.0647","","","0.1042","0.1179","","","","","","1","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024189","11.0013","0.0008","9.2305","0.0006","21.613","0.0002","90","","91.697","0.007","90","","2193.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","José M. Concellón; Virginia del Solar; Santiago García-Granda; M. Rosario Díaz","Totally Selective Reaction of CO~2~ with Enantiopure Amino Epoxides under Mild Reaction Conditions. Synthesis and Synthetic Applications of Enantiopure (4R,1'S)- or (4S,1'S)-4-(1-Aminoalkyl)-2-oxo-1,3-dioxolanes","Journal of Organic Chemistry","2007","72","","7567","7573","10.1021/jo070829x","","","1.5418","CuKα","","0.1231","0.0637","","","0.1423","0.1871","","","","","","1.024","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024218","4.3247","0.0005","6.9071","0.0007","13.3984","0.0014","90","","97.715","0.004","90","","396.6","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C7 H3 I N4 -","- C7 H3 I N4 -","- C14 H6 I2 N8 -","2","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.012","0.0119","","","0.03","0.03","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024226","12.5781","0.0017","5.6986","0.0008","14.879","0.002","90","","109.526","0.002","90","","1005.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl O7 P -","- C20 H20 Cl O7 P -","- C40 H40 Cl2 O14 P2 -","2","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0477","0.0413","","","0.0946","0.0978","","","","","","1.044","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024227","7.4778","0.0005","18.2738","0.0013","7.7736","0.0005","90","","114.183","0.001","90","","969.02","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 O8 P -","- C18 H27 O8 P -","- C36 H54 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0303","0.0296","","","0.0781","0.0787","","","","","","1.024","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024229","6.8461","0.0001","14.8555","0.0002","19.2378","0.0003","90","","90.401","0.001","90","","1956.48","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F3 N O3 S -","- C21 H18 F3 N O3 S -","- C84 H72 F12 N4 O12 S4 -","4","2","","M. Belén Cid; Jesús López-Cantarero; Sara Duce; José Luis García Ruano","Enantioselective Organocatalytic Approach to the Synthesis of α,α-Disubstituted Cyanosulfones","Journal of Organic Chemistry","2009","74","","431","434","10.1021/jo801968p","","","1.54178","CuKα","","0.034","0.0337","","","0.0875","0.0877","","","","","","1.088","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024230","9.5696","0.0003","19.2499","0.0005","9.8027","0.0002","90","","104.089","0.001","90","","1751.47","0.08","153","2","153","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C34 H37 F6 N O P Pd S Sb -","- C34 H37 F6 N O P Pd S Sb -","- C68 H74 F12 N2 O2 P2 Pd2 S2 Sb2 -","2","1","","Hongshan Lai; Zhiyan Huang; Qiong Wu; Yong Qin","Synthesis of Novel Enantiopure Biphenyl P,N-Ligands and Application in Palladium-Catalyzed Asymmetric Addition of Arylboronic Acids to N-Benzylisatin","Journal of Organic Chemistry","2009","74","","283","288","10.1021/jo802036m","","","0.71073","MoKα","","0.0272","0.0253","","","0.0574","0.0584","","","","","","0.998","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024234","6.6","0.003","9.507","0.004","17.683","0.007","90","","93.003","0.007","90","","1108","0.7","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","2","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.05","0.046","","","0.096","0.099","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024251","10.7489","0.0008","5.085","0.0004","15.8645","0.0012","90","","103.529","0.002","90","","843.06","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0673","0.0565","","","0.1227","0.1292","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024256","14.2915","0.0006","4.2258","0.0002","16.0431","0.0006","90","","113.905","0.001","90","","885.78","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Rahul Bhattacharya; Ananta Kumar Atta; Debanjana Dey; Tanmaya Pathak","Densely Functionalized Chiral Pyrroles from Endocyclic, Exocyclic, and Acyclic Vinyl Sulfone-Modified Carbohydrates","Journal of Organic Chemistry","2009","74","","669","674","10.1021/jo801948m","","","0.71073","MoKα","","0.0493","0.0408","","","0.1065","0.1143","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024275","7.267","0.0006","11.5484","0.001","19.1557","0.0017","90","","93.152","0.0012","90","","1605.2","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O4 S Si2 -","- C30 H42 N2 O4 S Si2 -","- C60 H84 N4 O8 S2 Si4 -","2","1","","Jianbiao Peng; Derrick L. J. Clive","Asymmetric Synthesis of the ABC-Ring System of the Antitumor Antibiotic MPC1001","Journal of Organic Chemistry","2009","74","","513","519","10.1021/jo802344t","","","0.71073","MoKα","","0.0355","0.0328","","","0.0805","0.0823","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024279","12.314","0.004","15.29","0.004","18.582","0.006","90","","103.989","0.013","90","","3395","1.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C168 H160 Cl8 Rh8 -","4","2","","Ryo Shintani; Yoshitaka Ichikawa; Keishi Takatsu; Fu-Xue Chen; Tamio Hayashi","Tuning the Chiral Environment ofC2-Symmetric Diene Ligands: Development of 3,7-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes","Journal of Organic Chemistry","2009","74","","869","873","10.1021/jo802437h","","","0.71075","MoKα","","","0.0228","","","","0.0285","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024316","4.8141","0.0006","26.756","0.003","11.7103","0.0013","90","","100.596","0.005","90","","1482.6","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S2 -","- C15 H17 N O2 S2 -","- C60 H68 N4 O8 S8 -","4","2","","Antonio Osorio-Lozada; Horacio F. Olivo","Diastereoselective Preparation of Substituted δ-Valerolactones. Synthesis of (3R,4S)- and (3R,4R)-Simplactones","Journal of Organic Chemistry","2009","74","","1360","1363","10.1021/jo8025548","","","0.71073","MoKα","","0.0886","0.0497","","","0.0789","0.0913","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024329","9.708","0.0004","8.0824","0.0003","10.4785","0.0004","90","","115.463","0.002","90","","742.32","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O7 -","- C13 H20 N2 O7 -","- C26 H40 N4 O14 -","2","1","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0387","0.0358","","","0.1128","0.1144","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024331","11.2038","0.0009","13.1226","0.0009","16.2129","0.0013","90","","103.267","0.003","90","","2320.1","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O8 S -","- C22 H28 N2 O8 S -","- C88 H112 N8 O32 S4 -","4","2","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0427","0.0352","","","0.0821","0.0848","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024332","7.0568","0.0002","24.1906","0.0008","10.8673","0.0004","90","","101.291","0.002","90","","1819.23","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","2","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0305","0.0289","","","0.0766","0.0773","","","","","","1.044","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024335","7.2075","0.0008","10.4013","0.0012","12.3538","0.0014","90","","98.287","0.002","90","","916.46","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C38 H58 N2 O6 -","2","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0598","0.0487","","","0.1323","0.1428","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024338","9.937","0.006","13.512","0.007","12.023","0.007","90","","100.595","0.009","90","","1586.9","0.1","173.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H24 N O3 -","- C64 H96 N4 O12 -","4","2","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0429","","","","0.0556","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024354","5.9277","0.0005","21.445","0.0015","9.0875","0.0006","90","","99.284","0.008","90","","1140.07","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Chanchal K. Malik; Ram Naresh Yadav; Michael G. B. Drew; Subrata Ghosh","Synthesis of Fused Cyclic Systems Containing Medium-Sized Rings through Tandem ROM-RCM of Norbornene Derivatives Embedded in a Carbohydrate Template","Journal of Organic Chemistry","2009","74","","1957","1963","10.1021/jo802077t","","","0.71073","MoKα","","0.193","0.0877","","","0.1269","0.1609","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024393","9.6721","0.0007","6.0987","0.0004","10.3902","0.0008","90","","105.755","0.001","90","","589.86","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 N O -","- C13 H23 N O -","- C26 H46 N2 O2 -","2","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0432","0.0398","","","0.1051","0.1079","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024395","6.0276","0.001","19.16","0.003","6.0924","0.001","90","","106.163","0.002","90","","675.78","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl N O2 -","- C13 H24 Cl N O2 -","- C26 H48 Cl2 N2 O4 -","2","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0434","0.0356","","","0.0739","0.0769","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024429","7.258","0.008","8.97","0.01","8.41","0.01","90","","110.889","0.016","90","","511.5","1","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C20 H28 O10 -","2","1","","C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade","Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F","Journal of Organic Chemistry","2009","74","","2842","2845","10.1021/jo802539z","","","0.71073","MoKα","","0.0592","0.0558","","","0.146","0.149","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024430","10.036","0.005","9.173","0.004","10.955","0.005","90","","90.174","0.008","90","","1008.6","0.8","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","2","","C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade","Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F","Journal of Organic Chemistry","2009","74","","2842","2845","10.1021/jo802539z","","","0.71073","MoKα","","0.0442","0.036","","","0.0896","0.0939","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024458","10.7594","0.0003","24.0248","0.0007","11.8032","0.0004","90","","110.127","0.001","90","","2864.72","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C144 H126 N6 O12 -","6","3","","Syed Masood Husain; Roland Fröhlich; Dirk Schepmann; Bernhard Wünsch","Asymmetric Synthesis of Enantiomerically Pure 2-Substituted Tetrahydro-3-benzazepines and Their Affinity to σ1 Receptors","Journal of Organic Chemistry","2009","74","","2788","2793","10.1021/jo900087e","","","1.54178","CuKα","","0.0375","0.0344","","","0.0771","0.0792","","","","","","1.067","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024459","7.3675","0.0001","32.5836","0.0006","7.5882","0.0001","90","","101.619","0.001","90","","1784.29","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C84 H88 O12 S4 -","4","2","","Estíbaliz Merino; Rosanne P. A. Melo; Montserrat Ortega-Guerra; María Ribagorda; M. Carmen Carreño","Stereocontrolled Approach to Phenyl Cyclitols from (SR)-[(p-Tolylsulfinyl)methyl]-p-quinol","Journal of Organic Chemistry","2009","74","","2824","2831","10.1021/jo900109p","","","1.54178","CuKα","","0.0804","0.0743","","","0.187","0.1941","","","","","","1.025","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024460","9.7463","0.0002","9.6804","0.0002","19.1212","0.0004","90","","92.56","0.001","90","","1802.25","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","2","","Estíbaliz Merino; Rosanne P. A. Melo; Montserrat Ortega-Guerra; María Ribagorda; M. Carmen Carreño","Stereocontrolled Approach to Phenyl Cyclitols from (SR)-[(p-Tolylsulfinyl)methyl]-p-quinol","Journal of Organic Chemistry","2009","74","","2824","2831","10.1021/jo900109p","","","1.54178","CuKα","","0.0544","0.0484","","","0.1164","0.123","","","","","","1.04","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024465","13.0005","0.0003","4.73152","0.00011","17.4577","0.0004","90","","90.5905","0.0015","90","","1073.8","0.04","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Yasufumi Kawamura; Yasuhiro Kawano; Tomohiro Matsuda; Yûta Ishitobi; Takahiro Hosokawa","Palladium(II)-Catalyzed Asymmetric Coupling of Allylic Alcohols and Vinyl Ethers: Insight into the Palladium and Copper Bimetallic Catalyst","Journal of Organic Chemistry","2009","74","","3048","3053","10.1021/jo802807w","","","1.54187","CuKα","","","0.0785","","","","0.2294","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024479","10.503","0.002","9.1652","0.0018","10.804","0.002","90","","92.64","0.03","90","","1038.9","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","gt363c","","","- C16 H28 F3 N3 O4 -","- C16 H28 F3 N3 O4 -","- C32 H56 F6 N6 O8 -","2","1","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.0686","0.0383","","","0.0702","0.0781","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024480","10.504","0.002","9.4224","0.0019","11.523","0.002","90","","110.52","0.03","90","","1068.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","gt319a","","","- C17 H24 F6 N2 O4 -","- C17 H24 F6 N2 O4 -","- C34 H48 F12 N4 O8 -","2","1","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.1432","0.0813","","","0.2143","0.2623","","","","","","1.029","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024529","14.5166","0.0001","28.6529","0.0002","15.3841","0.0001","90","","104.305","0.001","90","","6200.5","0.08","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C108 H138 Br6 N12 O24 -","- C54 H69 Br3 N6 O12 -","- C216 H276 Br12 N24 O48 -","4","2","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0601","0.0558","","","0.1457","0.1488","","","","","","1.059","","","","has coordinates","190330","2020-10-21","18:00:00",""
"4024533","10.9445","0.0001","19.3924","0.0001","17.9304","0.0001","90","","104.032","0.001","90","","3692","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H88 Br4 N8 O15 -","- C70 H88 Br4 N8 O15 -","- C140 H176 Br8 N16 O30 -","2","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0803","0.081","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024536","10.138","0.003","6.3932","0.0019","12.128","0.004","90","","113.672","0.004","90","","719.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","x-ray","0.71073","MoKα","","0.0686","0.0439","","","0.0862","0.0951","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024540","11.801","0.002","6.6536","0.0008","13.944","0.003","90","","100.22","0.02","90","","1077.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S,6S)-6-(tert-butyldimethylsilyloxy)-6-((S)-2,2- dimetyhl-1,3-dioxolan-4-yl)- 5-hydroxy-4-methylhexan-3-one","","- C18 H36 O5 Si -","- C18 H36 O5 Si -","- C36 H72 O10 Si2 -","2","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.0293","0.0254","","","0.062","0.0631","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024557","10.761","0.004","9.713","0.003","12.308","0.004","90","","103.209","0.005","90","","1252.4","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O2 S2 -","- C28 H25 N O2 S2 -","- C56 H50 N2 O4 S4 -","2","1","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; M. Ascensión Sanz-Tejedor; Inés Alonso; José L. García Ruano","Stereoselective Control of Planar α-Dimethylsulfonium Benzyl Carbanions. Synthesis of Optically Pure trans-Aziridines","Journal of Organic Chemistry","2009","74","","4217","4224","10.1021/jo900381b","","","0.71073","MoKα","","0.0332","0.0298","","","0.0775","0.08","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024565","5.7387","0.0005","10.1683","0.0007","7.2104","0.0006","90","","106.152","0.005","90","","404.14","0.06","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Cl N O3 -","- C6 H12 Cl N O3 -","- C12 H24 Cl2 N2 O6 -","2","1","","Benson J. Edagwa; Carol M. Taylor","Peptides Containing γ,δ-Dihydroxy-l-leucine","Journal of Organic Chemistry","2009","74","","4132","4136","10.1021/jo900459f","","","1.54178","CuKα","","0.0212","0.021","","","0.0508","0.0509","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024570","10.8315","0.0002","7.99869","0.00014","11.1291","0.0002","90","","101.919","0.001","90","","943.41","0.03","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N4 O3 -","- C19 H26 N4 O3 -","- C38 H52 N8 O6 -","2","1","","Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan","Journal of Organic Chemistry","2009","74","","4418","4421","10.1021/jo900502d","","","1.54187","CuKα","","","0.0279","","","","0.0798","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024574","5.4881","0.0003","8.1373","0.0004","15.7785","0.0007","90","","91.134","0.004","90","","704.5","0.06","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński","Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid","Journal of Organic Chemistry","2009","74","","4573","4583","10.1021/jo900206c","","","0.71073","MoKα","","0.0693","0.0498","","","0.1227","0.1375","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024592","5.7253","0.0009","24.706","0.004","8.5593","0.0014","90","","93.664","0.002","90","","1208.3","0.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N O4 S -","- C25 H26 Br N O4 S -","- C50 H52 Br2 N2 O8 S2 -","2","1","","Sadagopan Raghavan; Shaik Mustafa; B. Sridhar","A Versatile Route to (E)- and (Z)-2-Hydroxy-3,4-unsaturated Disubstituted Sulfilimines and Their Haloamidation Reaction","Journal of Organic Chemistry","2009","74","","4499","4507","10.1021/jo900569z","","","0.71073","MoKα","","0.0415","0.036","","","0.0829","0.0848","","","","","","0.971","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024595","9.466","0.004","17.876","0.008","10.669","0.005","90","","103.358","0.006","90","","1756.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 B F4 N2 -","- C36 H33 B F4 N2 -","- C72 H66 B2 F8 N4 -","2","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0892","0.0769","","","0.2039","0.2133","","","","","","1.061","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024600","15.9","0.004","6.2937","0.0017","16.234","0.004","90","","107.461","0.004","90","","1549.7","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br2 N2 O10 -","- C30 H38 Br2 N2 O10 -","- C60 H76 Br4 N4 O20 -","2","1","","Grier A. Wallace; Thomas D. Gordon; Martin E. Hayes; Donald B. Konopacki; Shannon R. Fix-Stenzel; Xiaolei Zhang; Pintipa Grongsaard; Kevin P. Cusack; Lisa M. Schaffter; Rodger F. Henry; Robert H. Stoffel","Scalable Synthesis and Isolation of the Four Stereoisomers of Methyl 1-Amino-3-(4-bromophenyl)cyclopentanecarboxylate, Useful Intermediates for the Synthesis of S1P1 Receptor Agonists","Journal of Organic Chemistry","2009","74","","4886","4889","10.1021/jo900376b","","","0.71073","MoKα","","0.0679","0.0473","","","0.1108","0.1302","","","","","","1.037","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4024607","15.304","0.002","5.7408","0.0007","15.6163","0.0019","90","","108.412","0.001","90","","1301.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 -","- C29 H32 N2 O4 -","- C58 H64 N4 O8 -","2","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0679","0.0576","","","0.1543","0.1655","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024608","8.5884","0.0004","11.5592","0.0006","11.6674","0.0005","90","","92.501","0.001","90","","1157.18","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O4 -","- C22 H31 I N2 O4 -","- C44 H62 I2 N4 O8 -","2","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0305","0.0248","","","0.0485","0.0505","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024619","6.2808","0.0013","8.2425","0.001","11.701","0.002","90","","95.044","0.016","90","","603.39","0.18","210","2","210","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Br N O3 S -","- C10 H12 Br N O3 S -","- C20 H24 Br2 N2 O6 S2 -","2","1","","Ali Reza Modarresi-Alam; Homeyra Alsadat Amirazizi; Hajar Bagheri; Hamid-Reza Bijanzadeh; Erich Kleinpeter","Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl Morpholines-Studies on N-S Interactions","Journal of Organic Chemistry","2009","74","","4740","4746","10.1021/jo900454a","","","0.71073","MoKα","","0.0691","0.0669","","","0.1938","0.1963","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024651","18.1073","0.0002","7.25478","0.00008","32.4017","0.0004","90","","94.475","0.0012","90","","4243.46","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 S -","- C14 H16 N O4 S -","- C168 H192 N12 O48 S12 -","12","6","","Alan Armstrong; Yunas Bhonoah; Andrew J. P. White","Constrained β-Proline Analogues in Organocatalytic Aldol Reactions: The Influence of Acid Geometry","Journal of Organic Chemistry","2009","74","","5041","5048","10.1021/jo900840v","","","1.54184","CuKα","","0.0541","0.0364","","","0.0748","0.0799","","","","","","0.932","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024661","5.524","0.004","8.048","0.005","20.295","0.012","90","","97.18","0.014","90","","895.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H34 O4 -","- C17 H34 O4 -","- C34 H68 O8 -","2","1","","Marcelino Gutiérrez; Eric H. Andrianasolo; Won Kyo Shin; Douglas E. Goeger; Alexandre Yokochi; Jörg Schemies; Manfred Jung; Dennis France; Susan Cornell-Kennon; Eun Lee; William H. Gerwick","Structural and Synthetic Investigations of Tanikolide Dimer, a SIRT2 Selective Inhibitor, and Tanikolideseco-Acid from the Madagascar Marine Cyanobacterium Lyngbya majuscula","Journal of Organic Chemistry","2009","74","","5267","5275","10.1021/jo900578j","","","1.5418","CuKα","","0.0975","0.0882","","","0.2253","0.2358","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024688","5.886","0.002","12.116","0.005","23.233","0.005","90","","94.828","0.005","90","","1651","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","benzyl (S)-6-(((S)-2-oxooxazolidin-4-yl)methyl)-1,4,5,6- tetrahydropyrimidin-2-ylcarbamate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C64 H80 N16 O16 -","4","2","","Meryem Benohoud; Loïc Leman; Silvia H. Cardoso; Pascal Retailleau; Philippe Dauban; Josiane Thierry; Robert H. Dodd","Total Synthesis and Absolute Configuration of the Natural Amino Acid Tetrahydrolathyrine","Journal of Organic Chemistry","2009","74","","5331","5336","10.1021/jo900800x","","","0.71069","MoKα","","0.0944","0.0524","","","0.1161","0.1406","","","","","","1.077","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024693","8.8702","0.0011","5.7173","0.0007","17.763","0.002","90","","100.694","0.002","90","","885.17","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.049","0.0456","","","0.1018","0.1045","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024694","11.534","0.002","9.6312","0.0018","11.875","0.002","90","","118.994","0.003","90","","1153.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O8 -","- C22 H29 N O8 -","- C44 H58 N2 O16 -","2","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.069","0.0555","","","0.1131","0.1183","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024714","11.8419","0.0009","7.8205","0.0006","18.3084","0.0014","90","","106.677","0.001","90","","1624.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","2","","Hua Yang; Rich G. Carter","Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide","Journal of Organic Chemistry","2009","74","","5151","5156","10.1021/jo9009062","","","0.71073","MoKα","","0.0298","0.0288","","","0.0736","0.0746","","","","","","1.045","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024729","12.597","0.0005","7.0432","0.0003","14.9624","0.0006","90","","110.415","0.001","90","","1244.13","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0693","0.0409","","","0.071","0.0809","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024737","15.4125","0.0018","8.1024","0.0006","24.215","0.002","90","","90.175","0.011","90","","3023.9","0.5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H51 N O3 S Sn -","- C28 H51 N O3 S Sn -","- C112 H204 N4 O12 S4 Sn4 -","4","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.0583","0.0449","","","0.0947","0.1015","","","","1.31","1.31","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024749","10.8151","0.0012","7.9505","0.0009","12.6843","0.0015","90","","97.33","0.003","90","","1081.8","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C48 H60 O12 -","2","1","","Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin","(+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton","Journal of Organic Chemistry","2009","74","","5987","6001","10.1021/jo900765p","","","0.71073","MoKα","","0.0303","0.0297","","","0.0768","0.0775","","","","","","1.052","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024762","8.718","0.003","8.606","0.008","14.015","0.005","90","","93.38","0.03","90","","1049.6","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl N2 O3 S -","- C23 H21 Cl N2 O3 S -","- C46 H42 Cl2 N4 O6 S2 -","2","1","","David Gagnon; Claude Spino","Stereoselective Synthesis of (+)-Aspidofractinine","Journal of Organic Chemistry","2009","74","","6035","6041","10.1021/jo9009497","","","1.54176","CuKα","","0.07","0.0502","","","0.1278","0.1411","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024773","11.9709","0.0017","5.9426","0.0008","13.4008","0.0019","90","","104.757","0.003","90","","921.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang","Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues","Journal of Organic Chemistry","2009","74","","6111","6119","10.1021/jo9011078","","","0.71073","MoKα","","0.0445","0.0387","","","0.0864","0.0888","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024777","7.3048","0.0006","8.26","0.0006","9.2431","0.0008","90","","92.177","0.004","90","","557.3","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br N2 O -","- C11 H13 Br N2 O -","- C22 H26 Br2 N4 O2 -","2","1","","Dong-Hui Leng; De-Xiang Wang; Jie Pan; Zhi-Tang Huang; Mei-Xiang Wang","Highly Efficient and Enantioselective Biotransformations of Racemic Azetidine-2-carbonitriles and Their Synthetic Applications","Journal of Organic Chemistry","2009","74","","6077","6082","10.1021/jo9011656","","","0.7107","MoKα","","0.0471","0.0326","","","0.0432","0.0467","","","","","","0.928","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024781","4.6791","0.0006","7.8457","0.0011","16.084","0.002","90","","96.666","0.002","90","","586.45","0.14","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N5 O4 -","- C10 H15 N5 O4 -","- C20 H30 N10 O8 -","2","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0284","0.0267","","","0.0689","0.0699","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024785","11.53458","0.00017","4.57235","0.00006","15.5302","0.0002","90","","103.458","0.0015","90","","796.57","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N6 O5 -","- C16 H16 N6 O5 -","- C32 H32 N12 O10 -","2","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","1.5418","CuKα","","0.0363","0.0347","","","0.0935","0.0948","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024810","12.444","0.003","7.8733","0.0016","16.766","0.003","90","","109.74","0.03","90","","1546.1","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0924","0.0924","","0.2139","0.2139","0.2139","","","","","","0.9083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024831","10.368","0.01","5.135","0.005","14.763","0.014","90","","99.164","0.017","90","","775.9","1.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C40 H36 O6 -","2","1","","Liang Hong; Lei Wang; Wangsheng Sun; Kwokyin Wong; Rui Wang","Organocatalytic Asymmetric Friedel-Crafts Alkylation/Cyclization Cascade Reaction of 1-Naphthols and α,β-Unsaturated Aldehydes: An Enantioselective Synthesis of Chromanes and Dihydrobenzopyranes","Journal of Organic Chemistry","2009","74","","6881","6884","10.1021/jo901409d","","","0.71073","MoKα","","0.0923","0.0612","","","0.1454","0.166","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024835","10.4182","0.0018","5.0811","0.0007","12.35","0.003","90","","103.834","0.006","90","","634.8","0.19","121","2","121","2","","","","","","","","5","P 1 21 1","P 2yb","4","8d","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C28 H26 N2 O6 S2 -","2","1","","Alan R. Katritzky; Srinivasa R. Tala; Nader E. Abo-Dya; Kapil Gyanda; Bahaa El-Dien M. El-Gendy; Zakaria K. Abdel-Samii; Peter J. Steel","Selective Synthesis and Structural Elucidation of S-Acyl- and N-Acylcysteines","Journal of Organic Chemistry","2009","74","","7165","7167","10.1021/jo900853s","","","0.71073","MoKα","","0.0387","0.0352","","","0.0929","0.0956","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024842","9.245","0.0014","6.063","0.0009","10.2457","0.0016","90","","115.422","0.002","90","","518.69","0.14","158","2","158","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","","Laura E. Bourque; Pamela A. Haile; K. A. Woerpel","Silylene-Mediated Ring Contraction of Homoallylic Ethers To Form Allylic Silanes","Journal of Organic Chemistry","2009","74","","7180","7182","10.1021/jo901111j","","","0.71073","MoKα","","0.0363","0.0331","","","0.0845","0.0874","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024847","10.054","0.005","10.102","0.005","16.404","0.005","90","0.005","94.674","0.005","90","0.005","1660.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[3,4-b]indole","3-(4-methoxyphenyl-1-phenylpyrazolo[3,4-b]indole)","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","2","","Sarvesh Kumar; Hiriyakkanavar Ila; Hiriyakkanavar Junjappa","Efficient Routes to Pyrazolo[3,4-b]indoles and Pyrazolo[1,5-a]benzimidazoles via Palladium- and Copper-Catalyzed Intramolecular C-C and C-N Bond Formation","Journal of Organic Chemistry","2009","74","","7046","7051","10.1021/jo901309t","","","0.71069","MoKα","","0.0911","0.0612","","","0.1176","0.1453","","","","","","1.049","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024851","15.5715","0.0003","14.5131","0.0004","25.4337","0.0004","90","","99.93","0.0012","90","","5661.7","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C109 H162 O11 P8 Pt4 -","- C109 H162 O11 P8 Pt4 -","- C218 H324 O22 P16 Pt8 -","2","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Peter J. Stang","Facile Self-Assembly of Neutral Dendritic Metallocycles via Oxygen-to-Platinum Coordination","Journal of Organic Chemistry","2009","74","","7067","7074","10.1021/jo9013589","","","0.71073","MoKα","","0.0753","0.0531","","","0.1051","0.1162","","","","","","1.035","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024854","6.363","0.003","7.681","0.003","23.808","0.009","90","","95.68","0.03","90","","1157.8","0.8","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 F5 O6 S2 -","- C21 H23 F5 O6 S2 -","- C42 H46 F10 O12 S4 -","2","1","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.245","0.194","","","0.4657","0.4947","","","","","","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024856","10.1109","0.0012","14.683","0.0018","20.472","0.003","90","","99.815","0.002","90","","2994.8","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H75 Br5 O5 -","- C60 H75 Br5 O5 -","- C120 H150 Br10 O10 -","2","1","","Katerina Kogan; Silvio E. Biali","Incorporation of Substituents at the Methylene Linkages of the Calix[5]arene Skeleton","Journal of Organic Chemistry","2009","74","","7172","7175","10.1021/jo901450x","","","0.71073","MoKα","","0.0572","0.0399","","","0.0853","0.0902","","","","","","0.993","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024865","10.0278","0.0002","7.7271","0.0002","12.667","0.0002","90","","92.688","0.001","90","","980.43","0.04","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O9 -","- C20 H23 N O9 -","- C40 H46 N2 O18 -","2","1","","Madhuri Manpadi; Artem S. Kireev; Igor V. Magedov; Jeff Altig; Paul Tongwa; Mikhail Yu. Antipin; Antonio Evidente; Willem A. L. van Otterlo; Alexander Kornienko","Synthesis of Structurally Simplified Analogues of Pancratistatin: Truncation of the Cyclitol Ring","Journal of Organic Chemistry","2009","74","","7122","7131","10.1021/jo901494r","","","1.54178","CuKα","","0.0475","0.0404","","","0.1021","0.1077","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024873","12.442","0.0003","11.8819","0.0003","21.2719","0.0007","90","","103.131","0.002","90","","3062.5","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 O4 S -","- C14 H24 O4 S -","- C112 H192 O32 S8 -","8","4","","Paweł Chochrek; Jadwiga Frelek; Marcin Kwit; Jerzy Wicha","New Insight into Chiroptical Properties of 1,2-Diols Cyclic Sulfites.","Journal of Organic Chemistry","2009","74","","7300","7308","10.1021/jo9012964","","","0.71073","MoKα","","0.0582","0.0343","","","0.062","0.0651","","","","","","0.876","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024900","14.646","0.0012","4.7274","0.0004","18.0088","0.0014","90","","104.994","0.002","90","","1204.43","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 Br2 S2 -","- C24 H32 Br2 S2 -","- C48 H64 Br4 S4 -","2","1","","Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel","Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization","Journal of Organic Chemistry","2009","74","","7504","7513","10.1021/jo901769c","","","0.71073","MoKα","","0.0473","0.037","","","0.0865","0.0906","","","","","","0.989","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024924","11.862","0.004","5.908","0.002","12.677","0.005","90","","102.405","0.008","90","","867.7","0.6","297","1","297","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.1007","0.0565","","","0.1112","0.1271","","","","","","1.03","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024925","11.613","0.003","5.8224","0.0016","12.483","0.004","90","","102.266","0.006","90","","824.8","0.4","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.1374","0.0697","","","0.1434","0.1695","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024926","12.375","0.002","5.7906","0.001","12.893","0.002","90","","115.43","0.003","90","","834.4","0.2","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.0841","0.0587","","","0.1372","0.1514","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024947","8.6461","0.0018","7.1193","0.0014","15.751","0.003","90","","102.406","0.018","90","","946.9","0.3","100","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O8 -","- C16 H26 N2 O8 -","- C32 H52 N4 O16 -","2","1","","Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur","An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals","Journal of Organic Chemistry","2009","74","","8388","8391","10.1021/jo901604w","","x-ray","0.71073","MoKα","","0.1096","0.0745","","","0.185","0.1961","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024948","7.1811","0.0004","5.3996","0.0003","15.6994","0.001","90","","91.705","0.003","90","","608.48","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur","An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals","Journal of Organic Chemistry","2009","74","","8388","8391","10.1021/jo901604w","","x-ray","0.71073","MoKα","","0.0445","0.0365","","","0.0945","0.1","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024957","12.022","0.002","9.727","0.002","18.519","0.002","90","","96.59","0.01","90","","2151.3","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound JB236","","","- C20 H31 N3 O4 -","- C40 H44 N6 O8 -","- C80 H88 N12 O16 -","2","1","","José Luis Baeza; Guillermo Gerona-Navarro; Kevin Thompson; M. Jesús Pérez de Vega; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Further Evidence for 2-Alkyl-2-carboxyazetidines as γ-Turn Inducers","Journal of Organic Chemistry","2009","74","","8203","8211","10.1021/jo901712x","","x-ray","1.5418","CuKα","","0.0642","0.058","","","0.1532","0.1586","","","","","","1.048","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024959","9.482","0.005","15.891","0.008","14.949","0.008","90","","91.943","0.008","90","","2251","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H57 F3 N7 O13 S -","- C40 H57 F3 N7 O13 S -","- C80 H114 F6 N14 O26 S2 -","2","1","","Maximillian E. Mahoney; Allen Oliver; Ólöf Einarsdóttir; Joseph P. Konopelski","Synthesis of a Cyclic Pentapeptide Mimic of the Active Site His-Tyr Cofactor of Cytochrome c Oxidase","Journal of Organic Chemistry","2009","74","","8212","8218","10.1021/jo901744y","","","0.7749","synchrotron","","0.1504","0.0845","","","0.1995","0.2432","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025062","15.592","0.003","5.6985","0.0011","16.475","0.003","90","","101.865","0.003","90","","1432.5","0.5","100","","100","","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O7 -","- C32 H36 O7 -","- C64 H72 O14 -","2","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.1469","0.0475","","","","0.0254","","","","","","1.7993","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025063","9.462","0.002","10.521","0.002","11.851","0.002","90","","113.029","0.003","90","","1085.8","0.4","100","","100","","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C44 H64 O16 -","2","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.0621","0.0352","","","","0.0303","","","","","","2.0481","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025065","9.6195","0.0006","9.2017","0.0006","15.6271","0.001","90","","93.652","0.001","90","","1380.44","0.15","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H42 O6 -","- C28 H42 O6 -","- C56 H84 O12 -","2","1","","J. S. Yadav; Sk. Samad Hossain; Madasu Madhu; Debendra K. Mohapatra","Formal Total Synthesis of (-)-Saliniketals","Journal of Organic Chemistry","2009","74","","8822","8825","10.1021/jo901913h","","","0.71073","MoKα","","0.0341","0.0326","","","0.0869","0.0885","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025079","7.0073","0.0004","13.0187","0.0009","12.0229","0.0007","90","","105.946","0.004","90","","1054.6","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ESMedin_cmpd1","","","- C25 H28 O5 -","- C25 H28 O5 -","- C50 H56 O10 -","2","1","","MinJin Kang; Brian D. Jones; Alexander L. Mandel; Justin C. Hammons; Antonio G. DiPasquale; Arnold L. Rheingold; James J. La Clair; Michael D. Burkart","Isolation, Structure Elucidation, and Antitumor Activity of Spirohexenolides A and B","Journal of Organic Chemistry","2009","74","","9054","9061","10.1021/jo901826d","","","1.54178","CuKα","","0.057","0.046","","","0.1062","0.1114","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4025080","6.9077","0.0003","13.0543","0.0006","23.0708","0.001","90","","93.289","0.003","90","","2076.99","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C100 H112 O16 -","4","2","","MinJin Kang; Brian D. Jones; Alexander L. Mandel; Justin C. Hammons; Antonio G. DiPasquale; Arnold L. Rheingold; James J. La Clair; Michael D. Burkart","Isolation, Structure Elucidation, and Antitumor Activity of Spirohexenolides A and B","Journal of Organic Chemistry","2009","74","","9054","9061","10.1021/jo901826d","","","1.54178","CuKα","","0.0493","0.0398","","","0.097","0.1039","","","","","","1.011","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025099","9.124","0.0017","12.179","0.002","11.372","0.002","90","","98.493","0.015","90","","1249.8","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H25 O P -","- C34 H25 O P -","- C68 H50 O2 P2 -","2","1","","Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov","Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines","Journal of Organic Chemistry","2009","74","","9428","9432","10.1021/jo901984q","","","0.71069","MoKα","","0.0343","0.0343","","","0.0429","0.0429","","","","1.15","1.15","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025121","14.119","0.002","8.6717","0.0013","15.029","0.003","90","","95.874","0.006","90","","1830.4","0.5","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O16 -","- C40 H44 O16 -","- C80 H88 O32 -","2","1","","Erin M. O'Brien; Barbara J. Morgan; Carol A. Mulrooney; Patrick J. Carroll; Marisa C. Kozlowski","Perylenequinone Natural Products: Total Synthesis of Hypocrellin A","Journal of Organic Chemistry","2010","75","","57","68","10.1021/jo901386d","","","0.71069","MoKα","","0.0841","0.0631","","","0.151","0.1686","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025123","9.602","0.007","11.454","0.009","10.106","0.008","90","","114.009","0.012","90","","1015.3","1.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O6 -","- C20 H31 N O6 -","- C40 H62 N2 O12 -","2","1","","Dhevalapally B. Ramachary; Y. Vijayendar Reddy","A General Approach to Chiral Building Blocks via Direct Amino Acid-Catalyzed Cascade Three-Component Reductive Alkylations: Formal Total Synthesis of HIV-1 Protease Inhibitors, Antibiotic Agglomerins, Brefeldin A, and (R)-γ-Hexanolide","Journal of Organic Chemistry","2010","75","","74","85","10.1021/jo901799n","","","0.71073","MoKα","","0.0815","0.0622","","","0.15","0.1598","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025129","8.7647","0.0015","7.3008","0.0013","18.426","0.003","90","","90.673","0.003","90","","1179","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br F O4 -","- C25 H26 Br F O4 -","- C50 H52 Br2 F2 O8 -","2","1","","Hai-Feng Cui; Ying-Quan Yang; Zhuo Chai; Peng Li; Chang-Wu Zheng; Shi-Zheng Zhu; Gang Zhao","Enantioselective Synthesis of Functionalized Fluorinated Cyclohexenones via Robinson Annulation Catalyzed by Primary-Secondary Diamines","Journal of Organic Chemistry","2010","75","","117","122","10.1021/jo902081w","","","0.71073","MoKα","","0.0915","0.061","","","0.159","0.1823","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025135","9.919","0.002","7.3305","0.0017","11.891","0.003","90","","109.874","0.003","90","","813.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Manas K. Ghorai; Amit Kumar; Deo Prakash Tiwari","BF3.OEt2-Mediated Highly Regioselective SN2-Type Ring-Opening ofN-Activated Aziridines andN-Activated Azetidines by Tetraalkylammonium Halides","Journal of Organic Chemistry","2010","75","","137","151","10.1021/jo902244y","","","0.71073","MoKα","","0.0811","0.0585","","","0.1255","0.1708","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025143","9.204","0.0018","14.189","0.0018","11.795","0.003","90","","94.66","0.02","90","","1535.3","0.5","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C35 H38 N2 O5 S -","- C35 H38 N2 O5 S -","- C70 H76 N4 O10 S2 -","2","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.1251","0.0587","","","0.1245","0.1446","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025151","9.7992","0.0004","10.4914","0.0005","18.5776","0.0009","90","","94.826","0.002","90","","1903.14","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H40 N O6.5 S -","- C37 H40 N O6.5 S -","- C74 H80 N2 O13 S2 -","2","1","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.0757","0.0663","","","0.1848","0.192","","","","","","1.034","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025168","12.8715","0.0002","10.8218","0.0002","13.1831","0.0002","90","","102.061","0.001","90","","1795.78","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","2","P 1 21 1","P 2yb","4","1-(2,6-Diisopropylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C48 H42 -","- C48 H42 -","- C96 H84 -","2","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0323","0.0322","","","0.0845","0.0846","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025213","17.109","0.005","5.1775","0.0016","20.234","0.006","90","","103.901","0.004","90","","1739.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","2","","Fujii, Hideaki; Imaide, Satomi; Watanabe, Akio; Yoza, Kenji; Nakajima, Mayumi; Nakao, Kaoru; Mochizuki, Hidenori; Sato, Noriko; Nemoto, Toru; Nagase, Hiroshi","A Double Decarboxylation Reaction of an Oxazolidinone and Carboxylic Acid: Its Application to the Synthesis of a New Opioid Lead Compound","Journal of Organic Chemistry","2010","75","3","995","998","10.1021/jo9025463","","","0.71073","MoKα","","0.0908","0.0611","","","0.1398","0.1558","","","","","","1.005","","","","has coordinates","210082","2020-10-21","18:00:00",""
"4025215","9.96","0.003","10.936","0.004","13.069","0.003","90","","105.59","0.02","90","","1371.1","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O -","- C14 H23 N O -","- C56 H92 N4 O4 -","4","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0723","0.0508","","","0.1219","0.1367","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025223","10.14","0.002","5.7779","0.0012","16.691","0.003","90","","104.79","0.03","90","","945.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Br O5 P -","- C18 H22 Br O5 P -","- C36 H44 Br2 O10 P2 -","2","1","","Sampak Samanta; Sandun Perera; Cong-Gui Zhao","Organocatalytic Enantioselective Synthesis of Both Diastereomers of α-Hydroxyphosphinates","Journal of Organic Chemistry","2010","75","","1101","1106","10.1021/jo9022099","","","0.7107","MoKα","","0.048","0.044","","","0.091","0.094","","","","","","1.06","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025238","7.1895","0.0002","6.1491","0.0002","11.6112","0.0004","90","","106.281","0.001","90","","492.73","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Francis N. Murigi; Gary S. Nichol; Eugene A. Mash","Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids","Journal of Organic Chemistry","2010","75","","1293","1296","10.1021/jo902438s","","","1.54178","CuKα","","0.03","0.0288","","","0.0697","0.0705","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025256","19.573","0.01","8.953","0.004","21.212","0.01","90","","116.452","0.005","90","","3328","3","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22.25 H35.5 Cl2.5 N3 O9.25 S -","- C22.255 H35.51 Cl2.51 N3 O9.25 S -","- C89.02 H142.04 Cl10.04 N12 O37 S4 -","4","2","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.7107","MoKα","","0.0796","0.0686","","","0.1917","0.2051","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025258","5.7989","0.0005","12.0265","0.001","9.054","0.0008","90","","107.068","0.009","90","","603.62","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O4 -","- C11 H21 N O4 -","- C22 H42 N2 O8 -","2","1","","Wen-Hua Chiou; Gau-Hong Lin; Chih-Wei Liang","Facile Syntheses of Enantiopure 3-Hydroxypiperidine Derivatives and 3-Hydroxypipecolic Acids","Journal of Organic Chemistry","2010","75","","1748","1751","10.1021/jo902324h","","x-ray","0.71073","MoKα","","0.0762","0.0464","","","0.0593","0.063","","","","","","0.933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025265","3.8595","0.0007","10.702","0.001","12.76","0.002","90","","98.03","0.02","90","","521.88","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H6 N2 S3 -","- C10 H6 N2 S3 -","- C20 H12 N4 S6 -","2","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0811","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025295","11.6684","0.0005","7.4095","0.0003","11.9159","0.0005","90","","94.888","0.002","90","","1026.47","0.07","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","John T. Markiewicz; Douglas J. Schauer; Joakim Löfstedt; Steven J. Corden; Olaf Wiest; Paul Helquist","Synthesis of 4-Methyldienoates Using a Vinylogous Horner-Wadsworth-Emmons Reagent. Application to the Synthesis of Trichostatic Acid","Journal of Organic Chemistry","2010","75","","2061","2064","10.1021/jo902422y","","x-ray","1.54178","CuKα","","0.0245","0.0244","","","0.0662","0.0663","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025306","11.3659","0.0005","8.253","0.0004","24.6381","0.001","90","","96.389","0.003","90","","2296.77","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 O3 Si -","- C23 H34 O3 Si -","- C92 H136 O12 Si4 -","4","2","","Etienne Nadeau; Dominic L. Ventura; Jonathan A. Brekan; Huw M. L. Davies","Controlling Factors for C-H Functionalization versus Cyclopropanation of Dihydronaphthalenes","Journal of Organic Chemistry","2010","75","","1927","1939","10.1021/jo902644f","","","1.54178","CuKα","","0.0667","0.0514","","","0.1283","0.1458","","","","","","1.109","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025310","9.5331","0.0008","9.0124","0.0008","13.0975","0.0011","90","","109.492","0.001","90","","1060.79","0.16","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","5,5'-Oxy-bis(5-thiatellurocane) Bis(tetrafluoroborate","","- C12 H24 B2 F8 O S2 Te2 -","- C12 H24 B2 F8 O S2 Te2 -","- C24 H48 B4 F16 O2 S4 Te4 -","2","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0453","0.0338","","","0.0793","0.0849","","","","","","1.032","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025311","9.1456","0.0003","23.7838","0.0008","18.5154","0.0006","90","","97.523","0.002","90","","3992.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H46 Cl2 N6 O7 -","- C41.985 H46 Cl2 N5.9975 O6.9975 -","- C167.94 H184 Cl8 N23.99 O27.99 -","4","2","","Xiaohu Deng; Jimmy T. Liang; Matthew Peterson; Raymond Rynberg; Eugene Cheung; Neelakandha S. Mani","Practical Synthesis of a Cathepsin S Inhibitor: Route Identification, Purification Strategies, and Serendipitous Discovery of a Crystalline Salt Form","Journal of Organic Chemistry","2010","75","","1940","1947","10.1021/jo902650b","","","0.71073","MoKα","","0.0883","0.0495","","","0.1027","0.1189","","","","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025333","10.3542","0.0006","10.0173","0.0005","17.2627","0.0009","90","","93.511","0.003","90","","1787.15","0.17","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O S -","- C18 H21 Cl N2 O S -","- C72 H84 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1287","0.0763","","","0.1795","0.2158","","","","","","1.178","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025334","17.0011","0.0007","5.8887","0.0002","20.1269","0.0009","90","","93.1231","0.0018","90","","2012","0.14","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O S -","- C22 H23 Cl N2 O S -","- C88 H92 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1377","0.0745","","","0.1339","0.1625","","","","","","1.014","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025335","12.151","0.0004","9.6705","0.0004","18.2329","0.0008","90","","103.897","0.002","90","","2079.77","0.14","193","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O S -","- C22 H23 Cl N2 O S -","- C88 H92 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1","0.068","","0.236","0.205","0.205","","","1.725","1.797","1.797","1.772","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025340","7.6984","0.0003","13.8253","0.0006","9.5434","0.0003","90","","112.762","0.003","90","","936.62","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl N2 O S -","- C18 H23 Cl N2 O S -","- C36 H46 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0575","0.0469","","","0.1259","0.1339","","","","","","1.154","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025341","5.8283","0.0003","15.6113","0.0009","11.4393","0.0008","90","","98.277","0.003","90","","1029.99","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 O S -","- C22 H25 Cl N2 O S -","- C44 H50 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1338","0.0672","","","0.1528","0.1954","","","","","","1.062","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025342","8.7649","0.0002","13.6787","0.0004","9.6973","0.0003","90","","113.149","0.0012","90","","1069.02","0.05","173","","173","2","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 O S -","- C22 H25 Cl N2 O S -","- C44 H50 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0405","0.0357","","","0.092","0.0961","","","","","","0.978","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025350","5.6584","0.0001","10.1501","0.0002","15.8737","0.0004","90","","94.9963","0.0009","90","","908.22","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","1","","David M. Hodgson; Saifullah Salik; David J. Fox","Stereocontrolled Syntheses of (-)-Cubebol and (-)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides","Journal of Organic Chemistry","2010","75","","2157","2168","10.1021/jo9022974","","","0.71073","MoKα","","0.0455","0.0329","","0.0829","0.069","0.0829","","","","","","0.9301","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025351","9.8823","0.0002","9.5332","0.0002","30.4082","0.0008","90","","91.1046","0.001","90","","2864.22","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O -","- C15 H26 O -","- C120 H208 O8 -","8","4","","David M. Hodgson; Saifullah Salik; David J. Fox","Stereocontrolled Syntheses of (-)-Cubebol and (-)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides","Journal of Organic Chemistry","2010","75","","2157","2168","10.1021/jo9022974","","","0.71073","MoKα","","0.0814","0.0638","","0.1513","0.1408","0.1513","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025352","11.3035","0.0005","5.8935","0.0004","12.286","0.0008","90","","112.657","0.003","90","","755.3","0.08","150","0.02","150","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Br N O S -","- C14 H20 Br N O S -","- C28 H40 Br2 N2 O2 S2 -","2","1","","Leleti Rajender Reddy; Sonia G. Das; Yugang Liu; Mahavir Prashad","A Facile Asymmetric Synthesis of Either Enantiomer of 2-Substituted Pyrrolidines","Journal of Organic Chemistry","2010","75","","2236","2246","10.1021/jo902710s","","","1.54184","CU-Kα","","0.024","0.023","","","0.059","0.059","","","","","","1.043","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4025353","9.822","0.003","8.97","0.004","17.061","0.005","90","","94.74","0.02","90","","1498","0.9","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H38 O3 Si -","- C35 H38 O3 Si -","- C70 H76 O6 Si2 -","2","1","","Marko Weimar; Gerd Dürner; Jan W. Bats; Michael W. Göbel","Enantioselective Synthesis of (+)-Estrone Exploiting a Hydrogen Bond-Promoted Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","2718","2721","10.1021/jo100053j","","","0.71073","MoKα","","0.095","0.052","","","0.1011","0.1122","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025365","6.363","0.003","9.031","0.004","13.892","0.006","90","","94.436","0.007","90","","795.9","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl(1S, 2S, 3R)-1-(furan-2-yl)-3-hydroxy-2-methylbutylcarbamate","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C28 H46 N2 O8 -","2","1","","Gullapalli Kumaraswamy; Neerasa Jayaprakash; Balasubramanian Sridhar","An Organocatalyzed Enantioselective Synthesis of (2S,3R,4S)-4-Hydroxyisoleucine and Its Stereoisomers","Journal of Organic Chemistry","2010","75","","2745","2747","10.1021/jo100233u","","x-ray","0.71073","MoKα","","0.0657","0.0475","","","0.099","0.1056","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025376","9.223","0.0014","8.4911","0.0013","22.643","0.004","90","","91.385","0.002","90","","1772.7","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(4-(tert-butyldimethylsilyloxy)-5-((tert-butyldimethylsilyloxy) methyl)tetrahydrofuran-2-yl)-6-(5-p-tolyl-1H-1,2,3-triazol-1-yl)- 9H-purine","","- C31 H47 N7 O3 Si2 -","- C31 H47 N7 O3 Si2 -","- C62 H94 N14 O6 Si4 -","2","1","","Mahesh K. Lakshman; Manish K. Singh; Damon Parrish; Raghavan Balachandran; Billy W. Day","Azide-Tetrazole Equilibrium of C-6 Azidopurine Nucleosides and Their Ligation Reactions with Alkynes","Journal of Organic Chemistry","2010","75","","2461","2473","10.1021/jo902342z","","","0.71073","MoKα","","0.0357","0.0314","","","0.0822","0.0893","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025384","9.066","0.003","9.498","0.002","19.981","0.006","90","","102.22","0.03","90","","1681.6","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O6 -","- C28 H50 N2 O6 -","- C56 H100 N4 O12 -","2","1","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.118","0.0525","","","0.1078","0.1262","","","","","","0.704","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025386","4.8357","0.0001","31.1808","0.0006","8.5989","0.0002","90","","103.178","0.001","90","","1262.41","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","2","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.1172","0.0631","","","0.1232","0.1584","","","","","","1.016","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025400","6.34741","0.00007","10.76431","0.00009","12.86992","0.00013","90","","102.271","0.001","90","","859.254","0.015","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","1","","Alexander M. R. Smith; Henry S. Rzepa; Andrew J. P. White; Denis Billen; King Kuok (Mimi) Hii","Delineating Origins of Stereocontrol in Asymmetric Pd-Catalyzed α-Hydroxylation of 1,3-Ketoesters","Journal of Organic Chemistry","2010","75","","3085","3096","10.1021/jo1002906","","","1.54184","CuKα","","0.0277","0.0259","","","0.0679","0.0688","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025404","6.069","0.0005","17.099","0.0015","11.238","0.0005","90","","103.155","0.005","90","","1135.61","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C52 H52 F4 O16 -","4","2","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0836","0.0703","","0.0721","0.0689","0.0689","","","","","","1.0928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025411","7.3807","0.0002","7.2933","0.0003","10.2971","0.0003","90","","107.738","0.003","90","","527.94","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Bromo-2,2'-dichloro-[4,4']bipyridinyl","","- C10 H5 Br Cl2 N2 -","- C10 H5 Br Cl2 N2 -","- C20 H10 Br2 Cl4 N4 -","2","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0757","0.0627","","","0.1644","0.1759","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025442","11.8985","0.001","10.8903","0.0008","11.9769","0.0008","90","","110.144","0.002","90","","1457.01","0.19","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H39 N O5 S Si -","- C25 H43 N O5 S Si -","- C50 H86 N2 O10 S2 Si2 -","2","1","","Shingo Ishikawa; Fumiaki Noguchi; Akio Kamimura","Asymmetric Synthesis of 2-Alkyl-Substituted 2,5-Dihydropyrroles from Optically Active Aza-Baylis-Hillman Adducts. Formal Synthesis of (-)-Trachelanthamidine.","Journal of Organic Chemistry","2010","75","","3578","3586","10.1021/jo100315j","","","0.71075","MoKα","","","0.0651","","","","0.0381","","","","","","3.478","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025447","7.352","0.014","7.528","0.014","45.19","0.08","90","","90.33","0.03","90","","2501","8","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O8 S -","- C25 H31 Br O8 S -","- C100 H124 Br4 O32 S4 -","4","2","","Shiharu Hiraoka; Shinji Harada; Atsushi Nishida","Catalytic Enantioselective Total Synthesis of (-)-Platyphyllide and Its Structural Revision","Journal of Organic Chemistry","2010","75","","3871","3874","10.1021/jo1003746","","","0.71073","MoKα","","0.0947","0.0636","","","0.1656","0.194","","","","","","0.923","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025451","11.064","0.017","9.94","0.015","16.43","0.02","90","","99.82","0.016","90","","1780","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O6 -","- C15 H21 N O6 -","- C60 H84 N4 O24 -","4","2","","Taotao Ling; Barbara C. Potts; Venkat R. Macherla","Concise Formal Synthesis of (-)-Salinosporamide A (Marizomib) Using a Regio- and Stereoselective Epoxidation and Reductive Oxirane Ring-Opening Strategy","Journal of Organic Chemistry","2010","75","","3882","3885","10.1021/jo100432g","","","0.71073","MoKα","","0.0489","0.0474","","","0.1314","0.134","","","","","","1.031","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025456","8.614","0.001","5.7613","0.0007","16.5693","0.0019","90","","93.186","0.002","90","","821.03","0.17","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 N O2 P -","- C16 H24 N O2 P -","- C32 H48 N2 O4 P2 -","2","1","","Gang Wang; Ruwei Shen; Qing Xu; Midori Goto; Yufen Zhao; Li-Biao Han","Stereospecific Coupling of H-Phosphinates and Secondary Phosphine Oxides with Amines and Alcohols: A General Method for the Preparation of Optically Active Organophosphorus Acid Derivatives","Journal of Organic Chemistry","2010","75","","3890","3892","10.1021/jo100473s","","","0.71073","MoKα","","0.0381","0.0376","","","0.1032","0.1042","","","","","","0.983","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025475","10.158","0.009","16.049","0.013","11.66","0.004","90","","114.66","0.04","90","","1728","2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C34 H62 N2 O6 -","- C34 H62 N2 O6 -","- C68 H124 N4 O12 -","2","1","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.1621","0.0736","","","0.1732","0.2087","","","","","","0.935","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025484","4.9867","0.0005","18.6517","0.0015","13.546","0.0012","90","","97.4","0.004","90","","1249.4","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O4 S2 -","- C24 H32 N2 O4 S2 -","- C48 H64 N4 O8 S4 -","2","1","","Ali Rostami; Alexis Colin; Xiao Yu Li; Michael G. Chudzinski; Alan J. Lough; Mark S. Taylor","N,N'-Diarylsquaramides: General, High-Yielding Synthesis and Applications in Colorimetric Anion Sensing","Journal of Organic Chemistry","2010","75","","3983","3992","10.1021/jo100104g","","","0.71073","MoKα","","0.1474","0.0627","","","0.1299","0.1695","","","","","","1.013","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025496","5.7403","0.0007","14.5577","0.0016","10.3708","0.0011","90","","101.304","0.002","90","","849.83","0.17","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Soumitra Maity; Kiran Matcha; Subrata Ghosh","Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM","Journal of Organic Chemistry","2010","75","","4192","4200","10.1021/jo1006448","","","0.71073","MoKα","","0.0364","0.0332","","","0.0791","0.0811","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025508","7.245","0.0004","10.7383","0.0007","11.5383","0.0006","90","","98.399","0.006","90","","888.04","0.09","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.069","0.0557","","","0.1571","0.161","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025511","14.6807","0.0003","9.972","0.00013","15.8925","0.0004","90","","113.381","0.003","90","","2135.55","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H53 N3 O4 Si -","- C45 H53 N3 O4 Si -","- C90 H106 N6 O8 Si2 -","2","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","1.54184","CuKα","","0.0553","0.0471","","","0.1261","0.1317","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025513","11.119","0.005","5.023","0.002","14.212","0.007","90","","93.008","0.01","90","","792.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O S -","- C14 H18 Br N O S -","- C28 H36 Br2 N2 O2 S2 -","2","1","","Qing-Long Xu; Wen-Bo Liu; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Enantioselective Allylic Substitution of O-Allyl Carbamothioates","Journal of Organic Chemistry","2010","75","","4615","4618","10.1021/jo1006152","","","0.71073","MoKα","","0.1169","0.0677","","","0.1771","0.2149","","","","","","0.846","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025520","5.89032","0.00015","18.6263","0.0005","8.9648","0.0002","90","","93.673","0.003","90","","981.55","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N O2 -","- C23 H22 N O2 -","- C46 H44 N2 O4 -","2","1","","Bangben Yao; Yuhong Zhang; Yong Li","Copper-Catalyzed Coupling Reaction of C-OMe Bonds Adjacent to a Nitrogen Atom with Terminal Alkynes","Journal of Organic Chemistry","2010","75","","4554","4561","10.1021/jo1007898","","","1.54184","CuKα","","0.0412","0.0346","","","0.0934","0.0982","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025544","9.989","0.005","15.244","0.008","10.041","0.005","90","","112.051","0.006","90","","1417.1","1.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H25 Cl2 N P2 Pd -","- C32 Cl2 N P2 Pd -","- C64 Cl4 N2 P4 Pd2 -","2","1","","Raju Ghosh; N. N. Adarsh; Amitabha Sarkar","A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes","Journal of Organic Chemistry","2010","75","","5320","5322","10.1021/jo100643j","","","0.71073","MoKα","","0.1113","0.1064","","","0.2856","0.2897","","","","","","1.063","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025552","10.7061","0.0004","6.0645","0.0002","14.7816","0.0006","90","","104.232","0.002","90","","930.27","0.06","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O5 -","- C17 H28 N2 O5 -","- C34 H56 N4 O10 -","2","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0447","0.035","","","0.0707","0.0744","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025553","7.6123","0.0003","32.1258","0.0014","10.738","0.0005","90","","106.951","0.002","90","","2511.9","0.19","228","2","228","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N3 O7 -","- C23 H31 N3 O7 -","- C92 H124 N12 O28 -","4","2","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0673","0.0403","","","0.0852","0.0963","","","","","","1.009","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025560","15.36","0.005","8.016","0.003","16.894","0.006","90","","115.123","0.005","90","","1883.3","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O4 S -","- C18 H23 N3 O4 S -","- C72 H92 N12 O16 S4 -","4","2","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0932","0.0685","","","0.1541","0.1678","","","","","","1.005","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025564","9.3911","0.0019","21.278","0.004","11.662","0.002","90","","99.125","0.003","90","","2300.9","0.7","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-Leu-D-Leu-Aib-Leu-D-Leu-OMe","","- C38 H70 N6 O9 -","- C38 H70 N6 O9 -","- C76 H140 N12 O18 -","2","1","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.0642","0.0507","","","0.1365","0.1447","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025574","8.3225","0.0004","12.0278","0.0006","11.0525","0.0005","90","","95.075","0.002","90","","1102.03","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-[(20S)-3β-Hydroxy-20,21-epithiopregn-5-en-17β-yl] dimethylcarbamate","","- C24 H37 N O3 S -","- C24 H37 N O3 S -","- C48 H74 N2 O6 S2 -","2","1","","Przemysław Kalicki; Michał Karchier; Karol Michalak; Jerzy Wicha","Rearrangement of 2,3-Epoxy Alcohol Dimethylthiocarbamate Derivatives. Synthesis of 2,3-Epithio Alcohol Derivatives under Mild Conditions","Journal of Organic Chemistry","2010","75","","5388","5391","10.1021/jo101000u","","","1.54178","CuKα","","0.0583","0.0581","","","0.1396","0.1401","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025583","9.201","0.004","7.605","0.003","12.505","0.005","90","","110.476","0.005","90","","819.7","0.6","146","2","146","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N O4 P -","- C15 H24 N O4 P -","- C30 H48 N2 O8 P2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0596","0.0524","","","0.1344","0.139","","","","","","1.028","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025597","15.526","0.0009","5.2293","0.0003","20.0132","0.0012","90","","110.908","0.003","90","","1517.88","0.16","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","Ambruticin triformate","","","- C31 H44 O8 -","- C31 H44 O8 -","- C62 H88 O16 -","2","1","","Stephen Hanessian; Thilo Focken; Xueling Mi; Rupal Oza; Bin Chen; Dougal Ritson; Renaud Beaudegnies","Total Synthesis of (+)-Ambruticin S: Probing the Pharmacophoric Subunit","Journal of Organic Chemistry","2010","75","","5601","5618","10.1021/jo100956v","","","1.54178","CuKα","","0.0635","0.0485","","","0.1179","0.1239","","","","","","0.921","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025598","10.4645","0.0004","9.8531","0.0003","11.5532","0.0005","90","","115.814","0.002","90","","1072.36","0.07","170","","170","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","(1S, 2S, 3R)-tert-Butyl 2-formyl-3-methylcyclopropanecarboxylate","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Stephen Hanessian; Thilo Focken; Xueling Mi; Rupal Oza; Bin Chen; Dougal Ritson; Renaud Beaudegnies","Total Synthesis of (+)-Ambruticin S: Probing the Pharmacophoric Subunit","Journal of Organic Chemistry","2010","75","","5601","5618","10.1021/jo100956v","","","1.54178","CuKα","","0.0384","0.0374","","","0.0941","0.0957","","","","","","1.078","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025611","10.648","0.003","10.193","0.004","13.876","0.003","90","","97.8","0.019","90","","1492.1","0.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl N2 O12 P -","- C27 H32 Cl N2 O12 P -","- C54 H64 Cl2 N4 O24 P2 -","2","1","","Leticia Quintero; Mario Sánchez-Vazquez; Silvano Cruz-Gregorio; Fernando Sartillo-Piscil","On the Existence of the Chair Conformation in Six-Membered Ring Phosphates Bearing an Aryl Group Axially Oriented at the C4 Position: Cyclic Nucleotides As Model Compounds for Cyclic Phosph(on)ate and Phosphoramide Prodrugs","Journal of Organic Chemistry","2010","75","","5852","5859","10.1021/jo100863n","","x-ray","0.71073","MoKα","","0.1913","0.0516","","","0.1055","0.1511","","","","","","0.873","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025621","8.548","0.0003","19.9436","0.0008","9.6298","0.0004","90","","95.535","0.001","90","","1634.01","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O4 S -","- C13 H25 N O4 S -","- C52 H100 N4 O16 S4 -","4","2","","Bing Wang","Practical Enantiospecific Synthesis of an Orthogonally Protected 1,4-trans-1,5-cis- 4,5-Diamino-2-cyclopenten-1-ol Derivative","Journal of Organic Chemistry","2010","75","","6012","6015","10.1021/jo1009118","","","0.71073","MoKα","","0.0341","0.0322","","","0.0878","0.09","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025622","9.6663","0.0005","8.5121","0.0005","9.8764","0.0006","90","","104.98","0.001","90","","785.02","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O4 S -","- C13 H25 N O4 S -","- C26 H50 N2 O8 S2 -","2","1","","Bing Wang","Practical Enantiospecific Synthesis of an Orthogonally Protected 1,4-trans-1,5-cis- 4,5-Diamino-2-cyclopenten-1-ol Derivative","Journal of Organic Chemistry","2010","75","","6012","6015","10.1021/jo1009118","","","0.71073","MoKα","","0.0443","0.0435","","","0.1036","0.1043","","","","","","1.057","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025632","9.733","0.0019","5.6544","0.0011","11.165","0.002","90","","93.49","0.03","90","","613.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1279","0.0736","","","0.1683","0.203","","","","","","1.016","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025642","10.6205","0.0004","15.0939","0.0006","11.2337","0.0005","90","","113.239","0.002","90","","1654.71","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","2","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1551","0.0911","","","0.2247","0.2775","","","","","","1.001","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025676","8.116","0.003","8.813","0.003","10.402","0.003","90","","112.059","0.004","90","","689.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C30 H40 N4 O4 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","0.71073","MoKα","","0.0515","0.0427","","","0.114","0.123","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025685","5.3449","0.0008","17.133","0.003","10.4547","0.0015","90","","103.447","0.003","90","","931.1","0.3","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N O S -","- C19 H29 N O S -","- C38 H58 N2 O2 S2 -","2","1","","José C. González-Gómez; Mohamed Medjahdi; Francisco Foubelo; Miguel Yus","Stereoselective α-Aminoallylation of Aldehydes with Chiraltert-Butanesulfinamides and Allyl Bromides","Journal of Organic Chemistry","2010","75","","6308","6311","10.1021/jo101379u","","","0.71073","MoKα","","0.0441","0.0394","","","0.098","0.1016","","","","","","1.03","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025691","4.8443","0.001","8.1458","0.0017","9.669","0.002","90","","94.02","0.003","90","","380.61","0.14","273","2","273","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","1-deoxythiomannojirimycin","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C12 H24 O8 S2 -","2","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0248","0.0247","","","0.0701","0.0703","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025716","9.592","0.003","17.603","0.005","19.168","0.005","90","","93.087","0.004","90","","3231.8","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 N4 O6 -","- C36 H36 N4 O6 -","- C144 H144 N16 O24 -","4","2","","Daniel P. Iwaniuk; Christian Wolf","A Versatile and Practical Solvating Agent for Enantioselective Recognition and NMR Analysis of Protected Amines","Journal of Organic Chemistry","2010","75","","6724","6727","10.1021/jo101426a","","","0.71073","MoKα","","0.0785","0.0482","","","0.1068","0.117","","","","","","0.977","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025721","8.7128","0.0013","7.4839","0.0011","9.3223","0.0013","90","","96.339","0.002","90","","604.15","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","08053a","","","- C8 H13 I2 N O -","- C8 H13 I2 N O -","- C16 H26 I4 N2 O2 -","2","1","","Micah J. Niphakis; Brandon J. Turunen; Gunda I. Georg","Synthesis of 6- and 7-Membered Cyclic Enaminones: Scope and Mechanism","Journal of Organic Chemistry","2010","75","","6793","6805","10.1021/jo100907u","","","0.71073","MoKα","","0.0203","0.0192","","","0.0479","0.0483","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025726","7.0429","0.0006","17.4903","0.0016","12.7831","0.0011","90","","96.697","0.002","90","","1563.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","","Charles D. Swor; Lev N. Zakharov; David R. Tyler","A Colorimetric Proton Sponge","Journal of Organic Chemistry","2010","75","","6977","6979","10.1021/jo101381r","","","0.71073","MoKα","","0.0608","0.0446","","","0.0747","0.0811","","","","","","1.059","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025732","5.7278","0.0017","7.53","0.002","13.217","0.004","90","","99.059","0.005","90","","562.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Dengfu Lu; Yajun Li; Yuefa Gong","Organocatalytic Asymmetric Tandem Michael Addition-Hemiacetalization: A Route to Chiral Dihydrocoumarins, Chromanes, and 4H-Chromenes","Journal of Organic Chemistry","2010","75","","6900","6907","10.1021/jo101446d","","","0.71073","MoKα","","0.0488","0.0474","","","0.1229","0.1248","","","","","","1.074","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4025735","8.586","0.01","9.973","0.011","15.708","0.018","90","","94.283","0.015","90","","1341","3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-((S)-1-Phenylethyl) 2-(tert-butoxycarbonylamino)-1,1'-binaphthyl -2'-carboxylate","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0815","0.0475","","","0.1008","0.1244","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025738","10.2718","0.001","9.1068","0.0009","12.8312","0.0013","90","","110.61","0.001","90","","1123.45","0.19","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-4,4-Diphenyl-3,4-dihydrodibenzo[a,k]phenanthridine ?","","- C33 H23 N -","- C33 H23 N -","- C66 H46 N2 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0464","0.0382","","","0.0873","0.0923","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025741","9.483","0.002","22.611","0.005","10.386","0.002","90","","114.551","0.004","90","","2025.6","0.7","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","2","","Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn","A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles","Journal of Organic Chemistry","2010","75","","7073","7084","10.1021/jo100736p","","","0.71073","MoKα","","0.0571","0.0515","","","0.1247","0.1281","","","","","","1.237","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025742","8.9909","0.0002","9.072","0.0002","11.1381","0.0003","90","","99.743","0.003","90","","895.38","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C38 H46 Cl2 O10 -","2","1","","Carmela Napolitano; Patrick McArdle; Paul V. Murphy","Access to Resorcylic Acid Lactonesvia Phosphonate Based Intramolecular Olefination","Journal of Organic Chemistry","2010","75","","7404","7407","10.1021/jo100998b","","","0.7107","MoKα","","0.0279","0.0239","","","0.0521","0.0527","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025748","8.3725","0.0003","13.1128","0.0003","11.2624","0.0003","90","0","90.6624","0.002","90","0","1236.38","0.06","293.15","","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O -","- C12 H14 Br N O -","- C48 H56 Br4 N4 O4 -","4","2","","Yakup Güneş; M. Fatih Polat; Ertan Sahin; Fraser F. Fleming; Ramazan Altundas","Enantioselective Synthesis of Cyclic, Quaternary Oxonitriles","Journal of Organic Chemistry","2010","75","","7092","7098","10.1021/jo1011202","","x-ray","0.71073","MoKα","","0.1514","0.0636","","","0.1144","0.1448","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025750","6.703","0.001","12.3865","0.0017","9.1015","0.0013","90","","97.759","0.007","90","","748.75","0.19","298","","293","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.1273","0.0587","","0.2625","0.2005","0.1496","","","","","","1.0376","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025776","11.304","0.005","7.763","0.004","13.644","0.006","90","","99.568","0.005","90","","1180.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0639","0.0489","","","0.1223","0.171","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025780","10.781","0.005","7.655","0.006","15.097","0.004","90","","104.28","0.005","90","","1207.4","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Cl N O4 S -","- C27 H26 Cl N O4 S -","- C54 H52 Cl2 N2 O8 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0778","0.0563","","","0.1251","0.1641","","","","","","1.107","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025795","15.523","0.003","7.8698","0.0014","19.165","0.004","90","","90.82","0.005","90","","2341","0.8","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O6 -","- C27 H25 N O6 -","- C108 H100 N4 O24 -","4","2","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.1","0.0689","","","0.1069","0.1175","","","","","","1.115","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025799","10.6747","0.0003","9.6224","0.0003","11.8546","0.0004","90","","110.4","0.002","90","","1141.29","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 F N O7 S2 -","- C19 H30 F N O7 S2 -","- C38 H60 F2 N2 O14 S4 -","2","1","","Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin","A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor","Journal of Organic Chemistry","2010","75","","7596","7604","10.1021/jo101417c","","","0.71073","MoKα","","0.1174","0.1021","","","0.2312","0.2498","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025800","5.8322","0.0002","8.7537","0.0003","25.9759","0.0008","90","","91.052","0.002","90","","1325.93","0.08","193","2","193","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H42 N4 O3 -","- C26 H42 N4 O3 -","- C52 H84 N8 O6 -","2","1","","Arnaud Rives; Sonia Ladeira; Thierry Levade; Nathalie Andrieu-Abadie; Yves Génisson","Synthesis of Cytotoxic Aza Analogues of Jaspine B","Journal of Organic Chemistry","2010","75","","7920","7923","10.1021/jo1014239","","x-ray","0.71073","MoKα","","0.0852","0.0516","","","0.102","0.1215","","","","","","1.029","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025815","9.795","0.003","8.172","0.003","10.466","0.003","90","","103.89","0.02","90","","813.3","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.1091","0.0591","","","0.0989","0.1145","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025842","9.9428","0.0016","15.4","0.002","9.9985","0.0017","90","","109.144","0.004","90","","1446.3","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H27 Cl2 N Ni P2 -","- C33 H27 Cl2 N Ni P2 -","- C66 H54 Cl4 N2 Ni2 P4 -","2","1","","Raju Ghosh; Amitabha Sarkar","Bidentate P, N-P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX","Journal of Organic Chemistry","2010","75","","8283","8286","10.1021/jo1016458","","","0.71073","MoKα","","0.0454","0.0379","","","0.0843","0.0881","","","","","","1.055","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025850","9.3063","0.0002","9.0446","0.0002","14.3162","0.0003","90","","103.493","0.001","90","","1171.76","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0484","0.041","","0.1001","0.0959","0.1001","","","","","","0.9874","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025855","10.511","0.002","7.9696","0.0016","11.326","0.002","90","","106.79","0.03","90","","908.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl2 N5 -","- C19 H17 Cl2 N5 -","- C38 H34 Cl4 N10 -","2","1","","Jinbao Xiang; Tong Zhu; Qun Dang; Xu Bai","Stereochemistry as a Tool in Deciphering the Processes of a Tandem Iminium Cyclization and Smiles Rearrangement","Journal of Organic Chemistry","2010","75","","8147","8154","10.1021/jo101798p","","","0.71073","MoKα","","0.0776","0.068","","","0.2058","0.2158","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025867","9.5928","0.00018","9.33221","0.00017","11.7332","0.0003","90","","97.7632","0.0019","90","","1040.75","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Fangxi Xu; Dan Huang; Chao Han; Wei Shen; Xufeng Lin; Yanguang Wang","SPINOL-Derived Phosphoric Acids: Synthesis and Application in Enantioselective Friedel-Crafts Reaction of Indoles with Imines","Journal of Organic Chemistry","2010","75","","8677","8680","10.1021/jo101640z","","","1.54184","CuKα","","0.04","0.0353","","","0.0886","0.0939","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025871","5.9089","0.0015","17.868","0.005","10.642","0.003","90","","97.847","0.004","90","","1113.1","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl3 O4 -","- C21 H31 Cl3 O4 -","- C42 H62 Cl6 O8 -","2","1","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0982","0.0757","","","0.176","0.1874","","","","","","1.038","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025875","13.157","0.004","9.516","0.003","13.529","0.004","90","","111.001","0.005","90","","1581.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nitro galactose","","","- C34 H37 N O9 -","- C34 H37 N O9 -","- C68 H74 N2 O18 -","2","1","","Pavan K. Kancharla; Yashwant D. Vankar","Chemistry of 2-Nitroglycals: A One-Pot Three-Component Stereoselective Approach toward 2-C-Branched O-Galactosides","Journal of Organic Chemistry","2010","75","","8457","8464","10.1021/jo101735u","","","0.71073","MoKα","","0.0798","0.0625","","","0.1467","0.1618","","","","","","0.954","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025889","9.1938","0.0009","5.6198","0.0006","14.7114","0.0014","90","","102.669","0.0014","90","","741.59","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-benzyl-4-({4-methoxyphenyl}ethynyl)-4,5-dihydro-1H-1,2,3-triazole","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0335","0.0303","","","0.0773","0.0792","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025890","5.7566","0.0011","7.9092","0.0015","18.846","0.004","90","","90.312","0.003","90","","858","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0673","0.0532","","","0.1313","0.1431","","","","","","1.056","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025894","10.7789","0.001","5.6104","0.0005","14.1828","0.0013","90","","108.653","0.0013","90","","812.64","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0343","0.0306","","","0.0789","0.0817","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025943","10.6099","0.0007","10.7142","0.0007","13.7817","0.0008","90","","105.557","0.004","90","","1509.26","0.17","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0844","0.0537","","","0.112","0.1229","","","","","","1.06","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025946","14.4663","0.0004","26.1325","0.0007","17.0631","0.0005","90","","96.133","0.003","90","","6413.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H82 N2 O10.5 -","- C68 H82 N2 O10.5 -","- C272 H328 N8 O42 -","4","2","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1458","0.0863","","","0.1492","0.1814","","","","","","1.07","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025947","12.4869","0.0006","21.3283","0.0011","13.0729","0.0007","90","","107.35","0.001","90","","3323.2","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H91 N2 O13 S2 -","- C70 H91 N2 O13 S2 -","- C140 H182 N4 O26 S4 -","2","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.0598","0.0499","","","0.1253","0.1299","","","","","","0.977","","","","has coordinates,has disorder","219285","2020-10-21","18:00:00",""
"4025959","8.7378","0.0009","30.43","0.003","10.316","0.0011","90","","103.209","0.007","90","","2670.4","0.5","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H50 N8 O8 -","- C55 H58 N6 O12 -","- C110 H116 N12 O24 -","2","1","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.5418","CuKα","","0.0667","0.0649","","","0.1757","0.1795","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025960","13.94","0.003","13.983","0.003","52.858","0.011","90","","90.15","0.03","90","","10303","4","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H124 N12 O19.5 -","- C111.08 H126.85 N12 O19 -","- C444.32 H507.4 N48 O76 -","4","2","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.54178","CuKα","","0.0876","0.0862","","","0.2754","0.2796","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025982","5.6403","0.0006","7.5628","0.0008","18.575","0.002","90","","91","0.006","90","","792.22","0.15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0586","0.0512","","","0.119","0.1276","","","","","","1.043","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025984","8.2984","0.0003","5.8941","0.0002","11.0767","0.0008","90","","108.428","0.008","90","","514","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Oxo-4-phenyl-oxazolidine-5-carboxylic acid methyl ester","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0301","0.0271","","","0.0629","0.0658","","","","","","1.088","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025985","10.2606","0.0006","6.0075","0.0003","32.542","0.0018","90","","98.465","0.001","90","","1984.05","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","2","","Sadagopan Raghavan; Vaddela Sudheer Babu; B. Sridhar","Mercury(II)-Mediated Cleavage of Cyclopropylcarbinols by an Intramolecular Sulfinyl Group as a Stereo- and Regioselective Route to Stereotriads and Stereotetrads","Journal of Organic Chemistry","2011","76","","557","565","10.1021/jo1019909","","","0.71073","MoKα","","0.0703","0.0578","","","0.1378","0.1464","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025988","8.132","0.004","8.188","0.004","10.529","0.005","90","","91.449","0.014","90","","700.8","0.6","292","1","292","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H10 Br N O2 -","- C16 H10 Br N O2 -","- C32 H20 Br2 N2 O4 -","2","1","","Claudia De Fusco; Consiglia Tedesco; Alessandra Lattanzi","Organocatalytic Stereoselective Epoxidation of Trisubstituted Acrylonitriles","Journal of Organic Chemistry","2011","76","","676","679","10.1021/jo102020a","","","1.54187","CuKα","","0.0905","0.0638","","","0.1501","0.2247","","","","","","1.021","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025989","11.393","0.002","22.375","0.004","11.623","0.002","90","","103.254","0.003","90","","2884","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 F6 N6 Ni2 O6 -","- C62 H60 F6 N6 Ni2 O6 -","- C124 H120 F12 N12 Ni4 O12 -","2","1","","Jiang Wang; Daizong Lin; Shengbin Zhou; Xiao Ding; Vadim A. Soloshonok; Hong Liu","Asymmetric Synthesis of Sterically and Electronically Demanding Linear ω-Trifluoromethyl Containing Amino Acids via Alkylation of Chiral Equivalents of Nucleophilic Glycine and Alanine","Journal of Organic Chemistry","2011","76","","684","687","10.1021/jo102031b","","","0.71073","MoKα","","0.0435","0.0368","","","0.0842","0.0864","","","","","","0.94","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025991","3.883","0.002","13.708","0.008","6.933","0.004","90","","96.545","0.012","90","","366.6","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","Annamária Molnár; Zoltán Mucsi; Gábor Vlád; Kálmán Simon; Tamás Holczbauer; Benjámin Podányi; Ferenc Faigl; István Hermecz","Ring Transformation of Unsaturated N-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction","Journal of Organic Chemistry","2011","76","","696","699","10.1021/jo102079k","","","0.71075","MoKα","","0.0531","0.0456","","","0.1038","0.1077","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026008","4.73","0.002","11.618","0.004","8.805","0.004","90","","101.32","0.04","90","","474.4","0.3","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0796","0.0582","","","0.1188","0.1253","","","","","","1.027","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026009","4.751","0.003","11.952","0.005","8.898","0.005","90","","100.92","0.06","90","","496.1","0.5","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.1124","0.0729","","","0.1418","0.1565","","","","","","1.015","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026010","8.003","0.0003","11.3185","0.0004","11.6939","0.0005","90","","92.069","0.004","90","","1058.57","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","2","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.034","0.0285","","","0.0697","0.0717","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026012","9.4955","0.001","6.7112","0.0007","13.9717","0.0015","90","","100.821","0.001","90","","874.53","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Xuesen Fan; Yangyang Wang; Yingying Qu; Haiyun Xu; Yan He; Xinying Zhang; Jianji Wang","Tandem Reactions Leading to Bicyclic Pyrimidine Nucleosides and Benzopyran-4-ones","Journal of Organic Chemistry","2011","76","","982","985","10.1021/jo102131y","","","0.71073","MoKα","","0.0332","0.0303","","","0.0793","0.0818","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026055","13.7524","0.0008","6.0384","0.0004","28.938","0.002","90","","96.02","0.005","90","","2389.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","08113","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C104 H136 N8 O16 -","4","2","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.1411","0.0773","","","0.1797","0.2194","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026065","6.9155","0.0008","8.1679","0.0009","14.2734","0.0016","90","","99.078","0.002","90","","796.14","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.0555","0.0446","","","0.0987","0.1043","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026066","6.6814","0.0014","15.308","0.003","11.355","0.002","90","","92.456","0.004","90","","1160.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 Br O6 -","- C24 H23 Br O6 -","- C48 H46 Br2 O12 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.1285","0.0668","","","0.1575","0.1803","","","","","","0.827","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026090","8.838","0.01","10.681","0.011","10.897","0.012","90","","90.135","0.012","90","","1028.7","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 S2 -","- C20 H21 N O4 S2 -","- C40 H42 N2 O8 S4 -","2","1","","Yong Zhang; Yong-Liang Shao; Hai-Sen Xu; Wei Wang","Organocatalytic Direct Asymmetric Vinylogous Michael Reaction of an α,β-Unsaturated γ-Butyrolactam with Enones","Journal of Organic Chemistry","2011","76","","1472","1474","10.1021/jo102223v","","","0.71073","MoKα","","0.0646","0.0477","","","0.1003","0.1093","","","","","","1.018","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026098","10.428","0.005","8.062","0.004","29.581","0.008","90","","96.108","0.008","90","","2472.8","1.8","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 Ni O3 S -","- C28 H27 N3 Ni O3 S -","- C112 H108 N12 Ni4 O12 S4 -","4","2","","Daniel J. Smith; Glenn P. A. Yap; James A. Kelley; Joel P. Schneider","Enhanced Stereoselectivity of a Cu(II) Complex Chiral Auxiliary in the Synthesis of Fmoc-l-γ-carboxyglutamic Acid","Journal of Organic Chemistry","2011","76","","1513","1520","10.1021/jo101940k","","","0.71073","MoKα","","0.1123","0.0674","","","0.1302","0.1488","","","","","","1.05","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026103","12.8706","0.0003","10.3285","0.0002","19.3024","0.0005","90","","94.196","0.002","90","","2559.07","0.1","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","2","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.1089","0.0607","","","0.1411","0.1591","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026127","13.2578","0.0002","11.0728","0.0002","14.014","0.0003","90","","105.019","0.001","90","","1986.99","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S,R)-(-)-4,6-Bis(2-methoxynaphthalen-1-yl)-7-methyl-2- (toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole-5- carboxylic acid isopropyl ester","","- C43 H40 Cl3 N O6 S -","- C43 H40 Cl3 N O6 S -","- C86 H80 Cl6 N2 O12 S2 -","2","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0605","0.0397","","","0.0889","0.1123","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026130","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026142","7.186","0.0007","14.0335","0.0015","13.235","0.0014","90","","94.498","0.002","90","","1330.6","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 -","- C36 H32 N4 -","- C72 H64 N8 -","2","1","","Xiao Liu; Yudao Ma; Wenzeng Duan; Fuyan He; Lei Zhao; Chun Song","Synthesis of Cyclophanes with Planar and Helical Chirality","Journal of Organic Chemistry","2011","76","","1953","1956","10.1021/jo102538y","","","0.71073","MoKα","","0.0704","0.0491","","","0.0964","0.1093","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026154","7.74851","0.00016","26.2071","0.0006","8.18444","0.00017","90","","93.43","0.0014","90","","1659","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","2","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0319","","","","0.0858","","","","","","1.027","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026156","10.969","0.007","8.042","0.008","19.434","0.012","90","","95.39","0.01","90","","1707","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H48 O9 -","- C36 H48 O9 -","- C72 H96 O18 -","2","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.0565","0.0556","","","0.1565","0.1588","","","","","","1.048","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026159","10.7183","0.0014","8.8432","0.0012","12.4477","0.0017","90","","103.81","0.002","90","","1145.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F3 N2 O2 S -","- C25 H21 F3 N2 O2 S -","- C50 H42 F6 N4 O4 S2 -","2","1","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.066","0.0426","","","0.069","0.0744","","","","","","0.811","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026163","4.1459","0.0005","14.1723","0.0016","15.567","0.0017","90","","91.429","0.003","90","","914.38","0.18","173","","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H2 Br Cl I2 -","- C6 H2 Br Cl I2 -","- C24 H8 Br4 Cl4 I8 -","4","2","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0499","0.0425","","","0.0895","0.0928","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026165","11.4097","0.0004","13.4664","0.0004","23.539","0.0007","90","","98.669","0.002","90","","3575.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H101 B2 Cl3 N2 O8 -","- C77 H101 B2 Cl3 N2 O8 -","- C154 H202 B4 Cl6 N4 O16 -","2","1","","Yvonne Loewer; Christine Weiss; Akkattu T. Biju; Roland Fröhlich; Frank Glorius","Synthesis and Application of a Chiral Diborate","Journal of Organic Chemistry","2011","76","","2324","2327","10.1021/jo102559s","","","1.54178","CuKα","","0.046","0.043","","","0.1076","0.1107","","","","","","1.013","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026172","9.6969","0.0006","8.9917","0.0005","19.0384","0.0012","90","","93.568","0.002","90","","1656.77","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O S -","- C19 H25 N O S -","- C76 H100 N4 O4 S4 -","4","2","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0782","0.0675","","","0.1769","0.182","","","","","","1.146","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026191","10.342","0.002","6.7854","0.0014","18.153","0.004","90","","97.52","0.03","90","","1262.9","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 Br O3 Si -","- C25 H37 Br O3 Si -","- C50 H74 Br2 O6 Si2 -","2","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1221","0.047","","","0.0606","0.0704","","","","","","0.918","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026195","8.1967","0.0001","9.8216","0.0002","9.2868","0.0002","90","","101.543","0.001","90","","732.51","0.02","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 I O -","- C18 H15 I O -","- C36 H30 I2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0282","0.0212","","","0.0501","0.0579","","","","","","1.089","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026204","13.1061","0.0004","10.2071","0.0004","14.886","0.0005","90","","90.438","0.003","90","","1991.32","0.12","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl N2 O S -","- C17 H27 Cl N2 O S -","- C68 H108 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.113","0.0607","","","0.1736","0.2062","","","","","","1.221","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026207","10.2036","0.0004","8.6192","0.0003","10.5131","0.0006","90","","101.707","0.0016","90","","905.36","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H27 Cl N2 O S -","- C16 H27 Cl N2 O S -","- C32 H54 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0533","0.0414","","","0.1135","0.1419","","","","","","1.16","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026208","5.9363","0.0002","7.4643","0.0003","17.4672","0.0009","90","","96.8255","0.0014","90","","768.49","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C30 H48 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0855","0.0562","","","0.1482","0.1896","","","","","","1.216","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026222","11.71","0.002","18.933","0.003","13.1103","0.0019","90","","110.071","0.011","90","","2730.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O4 S -","- C28 H40 N2 O4 S -","- C112 H160 N8 O16 S4 -","4","2","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.063","0.0508","","","0.1217","0.1292","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026225","12.401","","9.151","","14.292","","90","","101.03","","90","","1591.92","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 S -","- C32 H38 O10 S -","- C64 H76 O20 S2 -","2","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1265","0.0496","","","0.1301","0.1509","","","","","","1.197","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026243","10.069","0.005","9.734","0.005","19.568","0.009","90","","93.939","0.007","90","","1913.4","1.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08111","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C80 H116 N4 O16 -","4","2","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0934","0.0645","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026249","7.2558","0.0002","11.0858","0.0004","12.0016","0.0004","90","","100.819","0.002","90","","948.21","0.05","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(7R,8S)-8-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl) -1-azabicyclo[5.2.0]nonane-9-thione","","- C16 H31 N O S Si -","- C16 H31 N O S Si -","- C32 H62 N2 O2 S2 Si2 -","2","1","","Magdalena Woźnica; Aleksandra Butkiewicz; Aneta Grzywacz; Patrycja Kowalska; Marek Masnyk; Karol Michalak; Roman Luboradzki; Filipp Furche; Holger Kruse; Stefan Grimme; Jadwiga Frelek","Ring-Expanded Bicyclic β-Lactams: A Structure-Chiroptical Properties Relationship Investigation by Experiment and Calculations","Journal of Organic Chemistry","2011","76","","3306","3319","10.1021/jo200171w","","","0.71073","MoKα","","0.0604","0.0521","","","0.1014","0.1082","","","","","","1.101","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026254","10.273","0.0013","10.2509","0.0014","11.609","0.002","90","","92.675","0.011","90","","1221.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl [3S,3aS,4S,11bR,11cS,(S)S]-3-ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C52 H54 N2 O12 S2 -","2","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0439","0.037","","0.1028","0.0959","","","","1.054","1.053","1.053","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026273","13.7711","0.0004","11.8146","0.0004","13.9067","0.0004","90","","105.365","0.001","90","","2181.75","0.12","123.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H21 B F2 I N3 O3 -","- C21 H8 B F2 I N3 O3 -","- C84 H32 B4 F8 I4 N12 O12 -","4","2","","Takuya Matsumoto; Yasuteru Urano; Yoshinori Takahashi; Yusuke Mori; Takuya Terai; Tetsuo Nagano","In Situ Evaluation of Kinetic Resolution Catalysts for Nitroaldol by Rationally Designed Fluorescence Probe","Journal of Organic Chemistry","2011","76","","3616","3625","10.1021/jo1020344","","","0.7107","MoKα","","","0.0513","","","","0.1686","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026285","10.025","0.0001","6.6166","0.0001","15.4445","0.0002","90","","90.983","0.001","90","","1024.3","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br2 N3 O -","- C23 H19 Br2 N3 O -","- C46 H38 Br4 N6 O2 -","2","1","","Zhi-Peng Hu; Chun-Liang Lou; Jin-Jia Wang; Chun-Xia Chen; Ming Yan","Organocatalytic Conjugate Addition of Malononitrile to Conformationally Restricted Dienones","Journal of Organic Chemistry","2011","76","","3797","3804","10.1021/jo200112r","","","1.54178","CuKα","","0.0203","0.0197","","","0.0538","0.0541","","","","","","1.034","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026291","6.8438","0.0003","6.9463","0.0003","12.6905","0.0007","90","","92.924","0.005","90","","602.51","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","","Alexis Kotland; Fabien Accadbled; Koen Robeyns; Jean-Bernard Behr","Synthesis and Fucosidase Inhibitory Study of Unnatural Pyrrolidine Alkaloid 4-epi-(+)-Codonopsinine","Journal of Organic Chemistry","2011","76","","4094","4098","10.1021/jo200176u","","","0.71073","MoKα","","0.0461","0.0458","","","0.1157","0.1159","","","","","","1.231","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026297","10.847","0.004","21.365","0.009","13.644","0.006","90","","90","","90","","3162","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O4 -","- C36 H42 N2 O4 -","- C144 H168 N8 O16 -","4","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0792","0.0756","","","0.1649","0.1665","","","","","","1.138","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026304","10.9066","0.0015","8.1505","0.0011","12.412","0.0018","90","","113.038","0.007","90","","1015.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.0683","0.0406","","","0.072","0.0811","","","","","","0.954","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026305","10.913","0.008","8.164","0.006","12.409","0.009","90","","112.943","0.009","90","","1018.1","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.098","0.0547","","","0.1189","0.1362","","","","","","0.943","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026309","6.7056","0.0011","15.7761","0.001","8.0956","0.0008","90","","97.03","0.012","90","","849.98","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O4 S -","- C17 H17 N3 O4 S -","- C34 H34 N6 O8 S2 -","2","1","","Xiong-Li Liu; Zhi-Jun Wu; Xi-Lin Du; Xiao-Mei Zhang; Wei-Cheng Yuan","Amino-Indanol-Catalyzed Asymmetric Michael Additions of Oxindoles to Protected 2-Amino-1-nitroethenes for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing α,β-Diamino Functionality","Journal of Organic Chemistry","2011","76","","4008","4017","10.1021/jo2004378","","","0.71073","MoKα","","0.0303","0.0296","","","0.0712","0.0717","","","","","","1.051","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026310","7.7506","0.001","14.8393","0.0019","14.9278","0.0019","90","","92.947","0.002","90","","1714.6","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O22 -","- C29 H44 O22 -","- C58 H88 O44 -","2","1","","Yali Li; Jiansong Sun; Yanqing Gong; Biao Yu","Synthesis of Oligomeric 4-(Glycosyloxy)benzoate Macrocyclic Glycosides","Journal of Organic Chemistry","2011","76","","3654","3663","10.1021/jo200440r","","","0.71073","MoKα","","0.0648","0.051","","","0.1254","0.1364","","","","","","1.065","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026319","9.429","0.0005","10.488","0.0005","14.172","0.0008","90","","108.53","0.003","90","","1328.83","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0802","0.0514","","","0.1383","0.1643","","","","","","0.878","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026334","11.0459","0.0003","22.6548","0.0005","12.0042","0.0003","90","","115.116","0.002","90","","2719.94","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 S Si -","- C25 H37 N O2 S Si -","- C100 H148 N4 O8 S4 Si4 -","4","2","","Bo Liu; Chong-Dao Lu","Asymmetric Synthesis of cis-2-Aminocyclopropanols by Intramolecular Mannich Addition of Silyloxy Benzyl Carbanions","Journal of Organic Chemistry","2011","76","","4205","4209","10.1021/jo200585r","","","0.71073","MoKα","","0.1393","0.0608","","","0.1128","0.1309","","","","","","0.999","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026379","13.683","0.001","13.855","0.001","21.7621","0.0009","90","","102.485","0.006","90","","4028.1","0.5","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 Cu2 N6 O10 -","- C30 H43 Cu2 N6 O9 -","- C120 H172 Cu8 N24 O36 -","4","2","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0702","0.0549","","","0.1225","0.1322","","","","","","1.09","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026380","7.392","0.0003","17.8921","0.0013","8.029","0.0008","90","","101.047","0.005","90","","1042.23","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 Cu N3 O7 -","- C17 H29 Cu N3 O7 -","- C34 H58 Cu2 N6 O14 -","2","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0624","0.0536","","","0.1321","0.1415","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026382","8.8137","0.0003","14.3997","0.0004","11.5592","0.0004","90","","102.084","0.002","90","","1434.52","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","15a","","","- C28 H36 N2 O7 S -","- C28 H36 N2 O7 S -","- C56 H72 N4 O14 S2 -","2","1","","Ilker Avan; Srinivasa R. Tala; Peter J. Steel; Alan R. Katritzky","Benzotriazole-Mediated Syntheses of Depsipeptides and Oligoesters","Journal of Organic Chemistry","2011","76","","4884","4893","10.1021/jo200174j","","","0.71073","MoKα","","0.0722","0.0648","","","0.1565","0.1624","","","","","","1.068","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026399","8.8595","0.0006","5.7645","0.0003","15.8715","0.0011","90","","103.206","0.007","90","","789.13","0.09","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0516","0.0415","","","0.0975","0.1019","","","","","","1.016","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026407","8.3785","0.0004","12.3205","0.0004","8.555","0.0003","90","","90.842","0.003","90","","883.01","0.06","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl N2 O2 S -","- C19 H19 Cl N2 O2 S -","- C38 H38 Cl2 N4 O4 S2 -","2","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0385","","","","0.0906","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026417","9.0201","0.0005","9.6539","0.0006","9.7094","0.0006","90","","115.065","0.001","90","","765.86","0.08","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O S -","- C20 H18 O S -","- C40 H36 O2 S2 -","2","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0302","0.0296","","","0.076","0.0765","","","","","","1.054","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026439","8.7282","0.0006","20.3213","0.0015","14.6464","0.0011","90","","107.049","0.002","90","","2483.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Br2 N10 O12 Zn2 -","- C46 H46 Br2 N10 O12 Zn2 -","- C92 H92 Br4 N20 O24 Zn4 -","2","1","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0758","0.0482","","","0.1074","0.1168","","","","","","1.031","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026443","16.897","0.003","23.457","0.002","21.571","0.002","90","","113.294","0.005","90","","7852.8","1.7","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H53 B Cl2 F2 N3 O2.26 -","- C40 H53 B Cl2 F2 N3 O2.2625 -","- C320 H424 B8 Cl16 F16 N24 O18.1 -","8","4","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0851","0.0597","","","0.1451","0.1573","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026464","6.545","0.003","8.428","0.004","9.345","0.004","90","","94.64","0.007","90","","513.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C18 H26 N6 O10 -","2","1","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0673","0.051","","","0.1305","0.1901","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026465","10.368","0.012","6.633","0.007","12.241","0.013","90","","99.138","0.018","90","","831.1","1.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 N O5 -","- C7 H10 N O5 -","- C28 H40 N4 O20 -","4","2","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0716","0.0526","","","0.1466","0.1763","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026467","5.875","0.005","9.353","0.004","12.52","0.005","90","","97.43","0.005","90","","682.2","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1227","0.0583","","","0.1357","0.1913","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026476","9.14269","0.00017","9.68223","0.00018","30.1893","0.0006","90","","93.6506","0.0012","90","","2666.98","0.09","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H62 Cl4 N2 O4 -","- C57 H62 Cl4 N2 O4 -","- C114 H124 Cl8 N4 O8 -","2","1","","Takuya Hashimoto; Hidenori Kimura; Hiroki Nakatsu; Keiji Maruoka","Synthetic Application and Structural Elucidation of Axially Chiral Dicarboxylic Acid: Asymmetric Mannich-type Reaction with Diazoacetate, (Diazomethyl)phosphonate, and (Diazomethyl)sulfone","Journal of Organic Chemistry","2011","76","","6030","6037","10.1021/jo2005999","","","1.54187","CuKα","","","0.0749","","","","0.2198","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026478","11.3133","0.0006","10.1857","0.0004","14.3493","0.0009","90","","108.054","0.006","90","","1572.11","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31 H28 Br N3 O7 -","- C31 H28 Br N3 O7 -","- C62 H56 Br2 N6 O14 -","2","1","","Nikola Pavlov; Pierre Gilles; Claude Didierjean; Emmanuel Wenger; Emilia Naydenova; Jean Martinez; Monique Calmès","Asymmetric Synthesis of β2-Tryptophan Analogues via Friedel-Crafts Alkylation of Indoles with a Chiral Nitroacrylate","Journal of Organic Chemistry","2011","76","","6116","6124","10.1021/jo200733t","","x-ray","0.71073","MoKα","","0.0713","0.0537","","","0.1171","0.1274","","","","","","0.993","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026489","9.7454","0.0014","6.0857","0.0009","14.099","0.002","90","","99.027","0.002","90","","825.8","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Jun Xie; Yuelong Ma; David A Horne","Asymmetric Synthesis of the Core Structure of Leucosceptroids A-D","Journal of Organic Chemistry","2011","76","","6169","6176","10.1021/jo200899v","","","","","","","","","","","","","","","","","","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026490","10.3229","0.0016","7.8229","0.0012","11.7671","0.0018","90","","99.978","0.011","90","","935.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O -","- C23 H20 Cl N O -","- C46 H40 Cl2 N2 O2 -","2","1","","Ziping Cao; Zhaoqun Liu; Yilin Liu; Haifeng Du","Pd-Catalyzed Asymmetric Allylic Etherizations with Oximes by Chiral Alkene-Phosphine Ligands","Journal of Organic Chemistry","2011","76","","6401","6406","10.1021/jo200925q","","","1.54186","CuKα","","0.0374","0.0357","","","0.0827","0.0834","","","","","","1.112","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026491","9.39286","0.00012","7.87082","0.00008","12.69168","0.00017","90","","102.539","0.0013","90","","915.91","0.02","104","2","104","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Rui-jiong Lu; Yun-yun Yan; Jin-jia Wang; Quan-sheng Du; Shao-zhen Nie; Ming Yan","Organocatalytic Asymmetric Conjugate Addition and Cascade Acyl Transfer Reaction of α-Nitroketones","Journal of Organic Chemistry","2011","76","","6230","6239","10.1021/jo2009752","","","1.54184","CuKα","","0.0271","0.0259","","","0.066","0.0672","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026492","7.8532","0.0004","7.8328","0.0004","15.11","0.0008","90","","93.534","0.003","90","","927.69","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O9 -","- C19 H21 N O9 -","- C38 H42 N2 O18 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0386","0.0345","","0.0863","0.083","0.0863","","","","","","1.0314","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026493","8.659","0.0002","35.4747","0.0009","9.0925","0.0002","90","","101.107","0.0012","90","","2740.68","0.11","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C46.63 H60.69 N8.315 O31.87 -","- C46.63 H54 N8.315 O31.87 -","- C93.26 H108 N16.63 O63.74 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0704","0.0504","","0.1098","0.1006","0.1098","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026494","10.0349","0.0003","5.879","0.0001","11.4499","0.0003","90","","113.627","0.0015","90","","618.87","0.03","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N O3 -","- C11 H14 Br N O3 -","- C22 H28 Br2 N2 O6 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0261","0.0249","","0.0651","0.0641","0.0651","","","","","","1.0093","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026496","8.6115","0.0008","7.9108","0.0008","11.263","0.0012","90","","105.651","0.006","90","","738.83","0.13","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.1015","0.0814","","0.236","0.2245","0.236","","","","","","1.0223","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026498","8.656","0.0004","5.919","0.0002","13.168","0.0005","90","","104.521","0.002","90","","653.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O5 -","- C12 H12 Cl N O5 -","- C24 H24 Cl2 N2 O10 -","2","1","","Gonzalo Blay; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Alejandro Recuenco; Carlos Vila","Enantioselective Synthesis of Tertiary Alcohols through a Zirconium-Catalyzed Friedel-Crafts Alkylation of Pyrroles with α-Ketoesters","Journal of Organic Chemistry","2011","76","","6286","6294","10.1021/jo2010704","","","0.71073","MoKα","","0.0427","0.0347","","","0.097","0.1031","","","","","","0.998","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026502","8.356","0.002","5.4364","0.0013","23.154","0.005","90","","95.498","0.003","90","","1047","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 F O2 -","- C13 H11 F O2 -","- C52 H44 F4 O8 -","4","2","","Jun-Ling Chen; Feng Zheng; Yangen Huang; Feng-Ling Qing","Synthesis of γ-Monofluorinated Goniothalamin Analogues via Regio- and Stereoselective Ring-Opening Hydrofluorination of Epoxide","Journal of Organic Chemistry","2011","76","","6525","6533","10.1021/jo200611w","","","0.71073","MoKα","","0.0443","0.0424","","","0.1236","0.1257","","","","","","1.081","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026514","5.03627","0.00013","10.7538","0.0003","10.169","0.0003","90","","97.824","0.002","90","","545.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-(5-Methylpyridin-2-yl)-1-deoxy-D-ribofuranose","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0413","0.0395","","0.0509","0.0475","0.0475","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026515","4.99794","0.00007","10.75451","0.00016","11.3672","0.00017","90","","91.1917","0.0013","90","","610.859","0.015","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylamino)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.03","0.0297","","0.0331","0.0328","0.0328","","","","","","1.0585","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026516","6.8778","0.0003","10.4003","0.0005","9.7635","0.0004","90","","105.007","0.005","90","","674.58","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylcarbamoyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0296","0.0291","","0.037","0.0369","0.0369","","","","","","0.9325","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026517","4.9831","0.0003","11.6287","0.0008","11.875","0.0008","90","","100.351","0.007","90","","676.92","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","1β-[5-(2-Thienyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C28 H30 N2 O8 S2 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0682","0.0554","","0.0808","0.0678","0.0678","","","","","","1.0708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026522","9.7919","0.0002","7.53219","0.00015","16.9507","0.0004","90","","100.148","0.002","90","","1230.63","0.05","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H45 Cl -","- C27 H45 Cl -","- C54 H90 Cl2 -","2","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","1.54184","CuKα","","0.0708","0.0667","","","0.179","0.185","","","","","","1.07","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026524","6.6621","0.0006","6.6337","0.0006","16.6396","0.0014","90","","98.936","0.005","90","","726.45","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Xiaotao Zhuo; Kai Xiang; Fu-Min Zhang; Yong-Qiang Tu","Total Synthesis of (+)-Przewalskin B","Journal of Organic Chemistry","2011","76","","6918","6924","10.1021/jo201111w","","","0.71073","MoKα","","0.0657","0.0477","","","0.1179","0.1316","","","","","","1.035","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026542","10.643","0.002","5.8696","0.0012","15.844","0.003","90","","102.025","0.006","90","","968.1","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Sumit Saha; Subhas Chandra Roy","Titanocene(III) Chloride Mediated Radical Induced Allylation of Aldimines: Formal Synthesis of C-Linked 4'-Deoxy Aza-disaccharide","Journal of Organic Chemistry","2011","76","","7229","7234","10.1021/jo200908b","","","0.71073","MoKα","","0.0643","0.0419","","","0.0903","0.103","","","","","","0.958","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026553","8.445","0.0004","7.4439","0.0004","16.4853","0.0008","90","","102.33","0.001","90","","1012.42","0.09","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N Si -","- C22 H24 Br N Si -","- C44 H48 Br2 N2 Si2 -","2","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0319","0.0271","","","0.0647","0.0674","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026558","9.9601","0.0009","9.3717","0.0009","19.2123","0.0018","90","","101.469","0.002","90","","1757.5","0.3","100","","100","","","","","","","","acetone,hexane","4","P 1 21 1","P 2yb","4","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone hydrate solute","","- C33 H35 N15 O5 -","- C33 H35 N15 O5 -","- C66 H70 N30 O10 -","2","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0393","0.0371","","","0.1027","0.106","","","","","","0.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026559","13.7926","0.0005","8.9256","0.0003","14.0637","0.0004","90","","119.333","0.002","90","","1509.36","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O7 -","- C14 H17 N O7 -","- C56 H68 N4 O28 -","4","2","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71073","MoKα","","0.0889","0.0484","","","0.0994","0.116","","","","","","1.043","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026565","11.654","0.0016","5.9858","0.0012","19.445","0.002","90","","90.756","0.014","90","","1356.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H52 O7 -","- C27 H52 O7 -","- C54 H104 O14 -","2","1","","Victoria L. Challinor; Patricia Y. Hayes; Paul V. Bernhardt; William Kitching; Reginald P. Lehmann; James J. De Voss","Revision of the Absolute Configurations of Bethosides B and C and Their Aglycone","Journal of Organic Chemistry","2011","76","","7275","7280","10.1021/jo2012797","","","1.5418","CuKα","","0.0882","0.077","","","0.2006","0.2111","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026577","9.7329","0.0001","21.7097","0.0003","9.7718","0.0001","90","","94.5024","0.0011","90","","2058.39","0.04","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C44 H40 Cl3 F6 N2 P -","- C44 H40 Cl3 F6 N2 P -","- C88 H80 Cl6 F12 N4 P2 -","2","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","x-ray","1.54184","CuKα","","0.0507","0.0433","","","0.1054","0.1101","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026592","10.0199","0.0004","7.6276","0.0003","12.0388","0.0005","90","","102.113","0.002","90","","899.61","0.06","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O -","- C24 H22 O -","- C48 H44 O2 -","2","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.0612","0.0497","","","0.1222","0.1394","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026602","6.7734","0.0004","6.7395","0.0004","11.0228","0.0007","90","","99.636","0.003","90","","496.08","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0279","0.0273","","0.0704","0.0699","0.0704","","","","","","0.9544","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026603","6.763","0.006","6.781","0.004","11.095","0.011","90","","99.41","0.04","90","","502","0.7","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0409","0.0347","","0.0937","0.09","0.0937","","","","","","1.0041","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026610","10.244","0.003","9.692","0.009","13.701","0.015","90","","97.53","0.08","90","","1349","2","293","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N O7 -","- C25 H39 N O7 -","- C50 H78 N2 O14 -","2","1","","Sylvain Dalençon; Ramzi Aït Youcef; Muriel Pipelier; Vincent Maisonneuve; Didier Dubreuil; François Huet; Stéphanie Legoupy","Asymmetric Synthesis of Cyclohexene Nucleoside Analogues","Journal of Organic Chemistry","2011","76","","8059","8063","10.1021/jo2012708","","","0.71069","MoKα","","0.0444","0.037","","","0.1139","0.1295","","","","","","1.216","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026611","13.5962","0.0002","9.71266","0.00013","14.3697","0.0002","90","","110.34","0.0018","90","","1779.27","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.5 H18 Cl N3 O S -","- C17.5 H18 Cl N3 O S -","- C70 H72 Cl4 N12 O4 S4 -","4","2","","Hong Li; Junling Zhao; Lili Zeng; Wenhui Hu","Organocatalytic Asymmetric Domino Aza-Michael-Mannich Reaction: Synthesis of Tetrahydroimidazopyrimidine Derivatives","Journal of Organic Chemistry","2011","76","","8064","8069","10.1021/jo201301p","","","1.54184","CuKα","","0.058","0.0557","","","0.1662","0.1696","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026645","9.9417","0.0008","18.6076","0.0015","10.4831","0.0008","90","","118.057","0.003","90","","1711.4","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H30 F6 N P2 Pd Sb -","- C35 H30 F6 N P2 Pd Sb -","- C70 H60 F12 N2 P4 Pd2 Sb2 -","2","1","","Raju Ghosh; Amitabha Sarkar","Palladium-Catalyzed Amination of Allyl Alcohols","Journal of Organic Chemistry","2011","76","","8508","8512","10.1021/jo2014438","","","0.71073","MoKα","","0.0314","0.0282","","","0.069","0.071","","","","","","1.017","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026646","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Wenxin Gu; Richard B. Silverman","Stereospecific Total Syntheses of Proteasome Inhibitors Omuralide and Lactacystin","Journal of Organic Chemistry","2011","76","","8287","8293","10.1021/jo201453x","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026651","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026662","8.6956","0.0015","5.5642","0.0009","17.425","0.003","90","","92.439","0.004","90","","842.3","0.2","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C34 H34 N6 O6 S2 -","2","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0961","0.0479","","","0.0809","0.0948","","","","","","0.971","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026665","9.843","0.0002","24.0388","0.0005","12.5088","0.0003","90","","99.4843","0.0008","90","","2919.3","0.11","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 B Li N2 O5 -","- C64 H80 B Li N2 O5 -","- C128 H160 B2 Li2 N4 O10 -","2","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1085","0.066","","","0.154","0.1779","","","","","","1.019","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026681","15.55","0.0009","10.1305","0.0006","20.3828","0.0013","90","","91.958","0.005","90","","3209","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H30 O2 -","- C17 H30 O2 -","- C136 H240 O16 -","8","4","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0504","0.0441","","","0.1013","0.1045","","","","","","1.044","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026682","6.3839","0.0004","7.5086","0.0002","19.412","0.0005","90","","96.46","0.004","90","","924.59","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C44 H38 Br2 N4 O2 -","2","1","","Xing Chen; Yongsheng Zheng; Chang Shu; Weicheng Yuan; Bo Liu; Xiaomei Zhang","Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis Base-Catalyzed Hydrosilylation","Journal of Organic Chemistry","2011","76","","9109","9115","10.1021/jo201334n","","","1.54184","CuKα","","0.0375","0.0366","","","0.1014","0.1023","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026698","12.9125","0.0015","6.3682","0.0008","13.7532","0.0017","90","","117.733","0.002","90","","1001","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0432","0.0402","","","0.1028","0.1055","","","","","","1.09","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026702","4.8303","0.0009","19.076","0.003","16.995","0.003","90","","90.576","0.004","90","","1565.9","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.32 H1.94 N0.13 O0.52 -","- C2.32258 H1.93548 N0.129032 O0.516129 -","- C72 H60 N4 O16 -","31","15.5","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1066","0.0671","","","0.1345","0.1522","","","","","","1.012","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026718","14.651","0.003","14.524","0.003","14.781","0.003","90","","114.53","0.03","90","","2861.4","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C74 H60 N2 O7 -","- C74 H60 N2 O7 -","- C148 H120 N4 O14 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0703","0.0504","","","0.1169","0.133","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026725","10.08","0.0005","7.0463","0.0003","11.1384","0.0006","90","","107.995","0.002","90","","752.42","0.06","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H17 -","- C22 H18 -","- C44 H36 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0469","0.0368","","","0.0861","0.0917","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026757","15.263","0.003","7.0712","0.0013","29.628","0.005","90","","101.924","0.003","90","","3128.7","1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","VCD-68","","","- C29 H33 N3 O14 -","- C29 H33 N3 O14 -","- C116 H132 N12 O56 -","4","2","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.71073","MoKα","","0.0752","0.0453","","","0.097","0.1101","","","","","","1.017","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026760","12.975","0.0011","11.1695","0.001","23.176","0.002","90","","91.288","0.001","90","","3357.9","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Kuet21","(8S,9S)-2,15-bis(benzyloxy)- 1,3,8,9,14,16-hexamethoxy- 7,8,9,10-tetrahydrodibenzo[h,j][1,6]dioxacyclododecine- 5,12-dione","","- C38 H40 O12 -","- C38 H40 O12 -","- C152 H160 O48 -","4","2","","Noriaki Asakura; Shohei Fujimoto; Naoki Michihata; Kentaro Nishii; Hiroshi Imagawa; Hidetoshi Yamada","Synthesis of Chiral and Modifiable Hexahydroxydiphenoyl Compounds","Journal of Organic Chemistry","2011","76","","9711","9719","10.1021/jo201750d","","","0.71073","MoKα","","0.0335","0.0321","","","0.0738","0.0745","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026775","13.337","0.004","17.093","0.005","17.547","0.005","90","","105.324","0.018","90","","3858","2","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C192 H184 N8 O32 -","8","4","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","1.54178","CuKα","","0.0233","0.0233","","","0.0667","0.0668","","","","","","1.002","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026777","13.589","0.003","21.416","0.006","16.083","0.003","90","","90.573","0.008","90","","4680.3","1.9","298.1","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C104 H122 N8 -","- C104 H122 N8 -","- C208 H244 N16 -","2","1","","Shi Li; Zhiying Jia; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Dehydro Side Coupling of Substituted Pentacene Derivatives","Journal of Organic Chemistry","2011","76","","9983","9987","10.1021/jo201659q","","","0.71075","MoKα","","","0.0651","","","","0.0886","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026789","11.3087","0.0005","8.2975","0.0003","11.8172","0.0005","90","","102.904","0.002","90","","1080.85","0.08","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0423","0.0346","","","0.0835","0.0905","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026790","12.6473","0.0002","8.4035","0.0001","22.6779","0.0003","90","","94.086","0.001","90","","2404.12","0.06","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C104 H144 N8 O16 -","4","2","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0311","0.0297","","","0.0731","0.0748","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026800","9.858","0.003","10.449","0.002","13.184","0.004","90","","96.313","0.007","90","","1349.8","0.6","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 F3 N O2 -","- C34 H32 F3 N O2 -","- C68 H64 F6 N2 O4 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.12","0.0567","","","0.1067","0.1289","","","","","","0.978","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026801","10.3717","0.0008","26.868","0.003","12.3492","0.0012","90","","90.89","0.002","90","","3440.9","0.6","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H83 Li N4 O4 Y -","- C84 H83 Li N4 O4 Y -","- C168 H166 Li2 N8 O8 Y2 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.1153","0.0547","","","0.0876","0.1037","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026823","12.6964","0.0003","10.2021","0.0003","16.7996","0.0003","90","","99.8944","0.0014","90","","2143.68","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","2","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0296","0.0273","","","0.0638","0.0666","","","","","","1.056","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026831","8.2341","0.0009","8.3291","0.0009","12.9089","0.0014","90","","104.66","0.002","90","","856.5","0.16","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C30 H32 N10 O8 P2 -","2","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0781","0.0514","","","0.1054","0.1182","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026832","5.7894","0.0015","43.207","0.011","6.81","0.0018","90","","112.184","0.004","90","","1577.4","0.7","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C60 H64 N20 O16 P4 -","4","2","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.1105","0.0498","","","0.0554","0.0657","","","","","","0.733","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026833","12.7315","0.0016","7.0769","0.0009","13.982","0.0018","90","","93.502","0.002","90","","1257.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","BI2","'BI2' ?","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C58 H68 N4 O6 S2 -","2","1","","Yongda Zhang; Sampada Chitale; Navneet Goyal; Guisheng Li; Zhengxu S. Han; Sherry Shen; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Asymmetric Synthesis of Sulfinamides Using (-)-Quinine as Chiral Auxiliary","Journal of Organic Chemistry","2012","77","","690","695","10.1021/jo201825b","","","0.71073","MoKα","","0.1219","0.0685","","","0.1284","0.1483","","","","","","1.035","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026850","7.0653","0.0003","8.3781","0.0003","12.8601","0.0005","90","","105.228","0.001","90","","734.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C30 H38 N2 O10 -","2","1","","Shanbao Yu; Qing-Qing Huang; Yu Luo; Wei Lu","Total Synthesis of Camptothecin and SN-38","Journal of Organic Chemistry","2012","77","","713","717","10.1021/jo201974f","","","0.71073","MoKα","","0.0258","0.025","","","0.0643","0.0651","","","","","","1.046","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026862","12.4209","0.0013","5.64","0.0007","14.3079","0.0016","90","","96.562","0.008","90","","995.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C46 H50 Cl2 O8 -","2","1","","Jacqueline Jiménez; Aitor Landa; Aitziber Lizarraga; Miguel Maestro; Antonia Mielgo; Mikel Oiarbide; Irene Velilla; Claudio Palomo","Enantio- and Diastereoselective Organocatalytic α-Alkylation of Aldehydes with 3-Substituted 2-(Bromomethyl)acrylates","Journal of Organic Chemistry","2012","77","","747","753","10.1021/jo202073n","","","0.71073","MoKα","","0.106","0.0512","","","0.093","0.124","","","","","","0.905","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026881","9.4945","0.0019","10.87","0.002","12.264","0.003","90","","111.75","0.03","90","","1175.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C54 H52 Br2 N2 O2 -","2","1","","Kyoung Hee Kang; Junghwan Do; Yong Sun Park","Asymmetric Synthesis oftrans-2,3-Disubstituted Indoline Derivatives","Journal of Organic Chemistry","2012","77","","808","812","10.1021/jo2023526","","","0.71073","MoKα","","0.0836","0.0466","","","0.1105","0.1485","","","","","","1.073","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026891","13.9836","0.0003","8.2614","0.00015","17.967","0.0004","90","","99.302","0.007","90","","2048.33","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","1.54187","CuKα","","","0.036","","","","0.0987","","","","","","1.041","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026895","8.3746","0.001","5.691","0.0007","15.6697","0.0018","90","","101.539","0.003","90","","731.72","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 Br O2 -","- C19 H13 Br O2 -","- C38 H26 Br2 O4 -","2","1","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0326","0.0308","","","0.0734","0.075","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026906","7.9944","0.0011","6.2207","0.0009","14.801","0.002","90","","103.384","0.002","90","","716.07","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C32 H24 Br2 N2 O6 -","2","1","","Liang-Qiu Lu; Zhi-Hui Ming; Jing An; Chao Li; Jia-Rong Chen; Wen-Jing Xiao","Enantioselective Cascade Reactions of Stable Sulfur Ylides and Nitroolefins through an Axial-to-Central Chirality Transfer Strategy","Journal of Organic Chemistry","2012","77","","1072","1080","10.1021/jo202324f","","","0.71073","MoKα","","0.0527","0.0404","","","0.0959","0.1016","","","","","","1.018","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026928","11.98","0.009","11.128","0.008","12.993","0.01","90","","100.959","0.008","90","","1701","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H33 Cl5 O3 -","- C40 H33 Cl5 O3 -","- C80 H66 Cl10 O6 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2018","0.1116","","","0.2812","0.3564","","","","","","0.999","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026935","11.313","0.0003","6.289","0.0002","17.3747","0.0006","90","","92.826","0.003","90","","1234.66","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O7 -","- C26 H26 N2 O7 -","- C52 H52 N4 O14 -","2","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.088","0.0347","","","0.0474","0.0544","","","","","","0.823","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026965","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura","Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine","Journal of Organic Chemistry","2012","77","","1812","1832","10.1021/jo202350z","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4026989","12.1379","0.0012","7.2271","0.0007","13.099","0.0013","90","","96.2841","0.0015","90","","1142.16","0.19","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 Pd -","- C25 H32 N2 O2 Pd -","- C50 H64 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0219","0.0206","","","0.052","0.0528","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026990","13.4182","0.0009","5.8548","0.0004","15.0836","0.001","90","","103.983","0.0007","90","","1149.87","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O2 Pd -","- C27 H28 N2 O2 Pd -","- C54 H56 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0239","0.0231","","","0.0606","0.0613","","","","","","1.058","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026996","8.3538","0.0001","29.5716","0.0005","23.3724","0.0004","90","","91.021","0.001","90","","5772.89","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31.25 H25 Br N O6 -","- C31.25 H25 Br N O6 -","- C250 H200 Br8 N8 O48 -","8","4","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1092","0.0745","","","0.1753","0.1917","","","","","","1.095","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027002","7.5846","0.0007","5.833","0.0005","11.8172","0.0011","90","","90.213","0.002","90","","522.8","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Alphatriol","","","- C10 H16 O5 -","- C10 H16 O5 -","- C20 H32 O10 -","2","1","","Paresh M. Vadhadiya; Vedavati G. Puranik; C. V. Ramana","The Total Synthesis and Structural Revision of Stagonolide D","Journal of Organic Chemistry","2012","77","","2169","2175","10.1021/jo202138g","","","0.71073","MoKα","","0.0337","0.0305","","","0.0697","0.0713","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027022","7.717","0.002","10.035","0.003","9.992","0.003","90","","102.451","0.008","90","","755.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.7107","MoKα","","0.0329","0.0317","","","0.0784","0.0796","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027029","10.1592","0.0014","6.5759","0.0007","14.314","0.002","90","","92.95","0.012","90","","955","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(S)-hydroxy-4-(R)-methyl-4-phenyl-dihydro-furan-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0875","0.0787","","","0.221","0.2257","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027030","6.0355","0.0004","8.5641","0.0004","8.9483","0.0006","90","","104.406","0.005","90","","447.98","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S, 4S, 5R)-3-Ethyl-5-(hydroxymethyl)-3-methyltetrahydrofuran-2,4-diol","","- C8 H16 O4 -","- C8 H16 O4 -","- C16 H32 O8 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0358","0.0275","","","0.0519","0.0532","","","","","","0.859","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027031","11.0893","0.0007","6.3495","0.0003","13.239","0.0008","90","","96.008","0.005","90","","927.06","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R, 4R, 5R)-3-Ethyl-3-methyltetrahydro-2H-pyran-2,4,5-triol","","- C32 H64 O16 -","- C32 H64 O16 -","- C32 H64 O16 -","1","0.5","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0797","0.0718","","","0.1959","0.2213","","","","","","1.085","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027032","7.6824","0.0012","8.4578","0.0016","10.8731","0.0017","90","","93.655","0.018","90","","705.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C24 H44 O12 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0505","0.0485","","","0.1254","0.1273","","","","","","1.095","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027056","10.16","0.004","10.464","0.004","10.644","0.004","90","","113.854","0.005","90","","1034.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 S2 Si3 -","- C16 H26 S2 Si3 -","- C32 H52 S4 Si6 -","2","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.044","0.0399","","","0.1024","0.1058","","","","","","1.106","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027082","8.82088","0.00016","17.5456","0.0004","11.9169","0.0003","90","","93.8914","0.0007","90","","1840.1","0.07","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F N O2 S -","- C20 H17 Br F N O2 S -","- C80 H68 Br4 F4 N4 O8 S4 -","4","2","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.067","","","","","","1.109","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027090","8.57844","0.00019","5.82241","0.00012","18.8022","0.0005","90","","100.163","0.0007","90","","924.38","0.04","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C44 H38 N2 O8 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0308","","","","0.0746","","","","","","1.074","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027092","8.0346","0.0009","6.4023","0.0007","17.6979","0.0018","90","","100.211","0.003","90","","895.96","0.17","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C42 H32 F2 N2 O6 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0453","","","","0.096","","","","","","1.048","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027093","10.3632","0.0013","8.1773","0.001","21.547","0.003","90","","91.751","0.002","90","","1825.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08001","","","- C32 H68 N2 O11 -","- C32 H68 N2 O11 -","- C64 H136 N4 O22 -","2","1","","Jae Chul Lee; Subhashree Francis; Dinah Dutta; Vijayalaxmi Gupta; Yan Yang; Jin-Yi Zhu; Joseph S. Tash; Ernst Schönbrunn; Gunda I. Georg","Synthesis and Evaluation of Eight- and Four-Membered Iminosugar Analogues as Inhibitors of Testicular Ceramide-Specific Glucosyltransferase, Testicular β-Glucosidase 2, and Other Glycosidases","Journal of Organic Chemistry","2012","77","","3082","3098","10.1021/jo202054g","","","0.71073","MoKα","","0.1022","0.0527","","","0.131","0.17","","","","","","1.016","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027103","11.5379","0.0013","10.6801","0.0012","13.8158","0.0015","90","","100.801","0.005","90","","1672.3","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O6 -","- C35 H54 O6 -","- C70 H108 O12 -","2","1","","Gregory K. Friestad; An Ji; Jonas Baltrusaitis; Chandra Sekhar Korapala; Jun Qin","Scope of Stereoselective Mn-Mediated Radical Addition to Chiral Hydrazones and Application in a Formal Synthesis of Quinine","Journal of Organic Chemistry","2012","77","","3159","3180","10.1021/jo2026349","","","0.71073","MoKα","","0.0464","0.0432","","","0.1107","0.1137","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027111","16.1486","0.0007","6.845","0.0003","18.5516","0.0008","90","","94.31","0.001","90","","2044.84","0.15","","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H69 Cl N2 O8 -","- C41 H67 Cl N2 O8 -","- C82 H134 Cl2 N4 O16 -","2","1","","Yong-Li Zhong; Donald R. Gauthier; Yao-Jun Shi; Mark McLaughlin; John Y. L. Chung; Philippe Dagneau; Benjamin Marcune; Shane W. Krska; Richard G. Ball; Robert A. Reamer; Nobuyoshi Yasuda","Synthesis of Antifungal Glucan Synthase Inhibitors from Enfumafungin","Journal of Organic Chemistry","2012","77","","3297","3310","10.1021/jo300046v","","","","MoKα","","","0.0461","","","","0.1195","","","","","","1.028","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027116","10.8582","0.0014","9.0165","0.0012","19.867","0.003","90","","99.776","0.0015","90","","1916.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 Se -","- C20 H28 O3 Se -","- C80 H112 O12 Se4 -","4","2","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0528","0.0374","","","0.083","0.0888","","","","","","1.039","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027117","12.547","0.008","8.87","0.005","16.302","0.01","90","","100.639","0.006","90","","1783.1","1.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 N O6 Si -","- C34 H55 N O6 Si -","- C68 H110 N2 O12 Si2 -","2","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0944","0.0736","","","0.1908","0.2132","","","","","","1.047","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027145","9.478","0.0009","18.043","0.0017","11.7865","0.0011","90","","97.428","0.003","90","","1998.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23 H19 N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","2","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.0754","0.0514","","","0.138","0.1798","","","","","","1.132","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027157","6.0223","0.0012","15.207","0.003","22.588","0.005","90","","93.22","0.03","90","","2065.4","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N2 O5 -","- C23 H17 Cl N2 O5 -","- C92 H68 Cl4 N8 O20 -","4","2","","Yan Wang; Li Liu; Tao Zhang; Neng-Jun Zhong; Dong Wang; Yong-Jun Chen","Diastereo- and Enantioselective [3 + 2] Cycloaddition Reaction of Morita-Baylis-Hillman Carbonates of Isatins with N-Phenylmaleimide Catalyzed by Me-DuPhos","Journal of Organic Chemistry","2012","77","","4143","4147","10.1021/jo3002535","","","0.71073","MoKα","","0.0727","0.0646","","","0.1257","0.1313","","","","","","1.122","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027158","12.9522","0.0005","5.9178","0.0002","14.1782","0.0005","90","","115.842","0.002","90","","978.06","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.054","0.0398","","","0.0926","0.1151","","","","","","1.118","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027166","7.878","0.002","14.177","0.004","8.466","0.002","90","","104.818","0.004","90","","914.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C34 H44 Br2 N2 O4 S2 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0735","0.047","","","0.093","0.1017","","","","","","1.027","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027168","10.9764","0.0017","5.7842","0.0009","13.26","0.002","90","","111.283","0.002","90","","784.5","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0402","0.0394","","","0.1069","0.1085","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027205","11.0806","0.0006","16.439","0.0009","11.2749","0.0007","90","","114.756","0.001","90","","1865.03","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H35 Cl6 N2 P Pd -","- C37 H35 Cl6 N2 P Pd -","- C74 H70 Cl12 N4 P2 Pd2 -","2","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0311","0.0284","","","0.0594","0.0602","","","","","","0.997","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027223","4.05","0.0013","16.162","0.005","5.946","0.002","90","","94.298","0.018","90","","388.1","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0682","0.0534","","","0.1423","0.1518","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027225","7.23","0.0003","11.86","0.0004","11.276","0.0005","90","","96.494","0.002","90","","960.69","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","2","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0741","0.0606","","","0.1805","0.2005","","","","","","1.093","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027237","4.8321","0.0007","21.157","0.003","6.4661","0.0009","90","","95.816","0.003","90","","657.64","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 S -","- C12 H13 O5 S -","- C24 H26 O10 S2 -","2","1","","Antonio Latorre; Irakusne López; Victoria Ramírez; Santiago Rodríguez; Javier Izquierdo; Florenci V. González; Cristian Vicent","Radical Mechanism in the Elimination of 2-Arylsulfinyl Esters","Journal of Organic Chemistry","2012","77","","5191","5197","10.1021/jo300699w","","","0.71073","MoKα","","0.0685","0.0424","","","0.0928","0.1034","","","","","","1.03","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027239","7.5236","0.0006","9.5911","0.0007","8.5262","0.0007","90","","105.191","0.0009","90","","593.75","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0348","0.0321","","","0.0787","0.0806","","","","","","1.06","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027242","8.189","0.0006","7.185","0.0005","11.259","0.0007","90","","93.555","0.002","90","","661.18","0.08","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl F O3 -","- C14 H12 Cl F O3 -","- C28 H24 Cl2 F2 O6 -","2","1","","Yunkui Liu; Jie Zhu; Jianqiang Qian; Zhenyuan Xu","Gold-Catalyzed Simultaneous Formation of C-C, C=O, and C-F bonds in the Presence of Selectfluor: A Synthesis of Fluoroindenes from Allene Esters","Journal of Organic Chemistry","2012","77","","5411","5417","10.1021/jo3006528","","","0.71073","MoKα","","0.1222","0.0478","","","0.1115","0.1494","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027251","6.6397","0.0001","9.9763","0.0002","7.518","0.0002","90","","92.753","0.001","90","","497.415","0.018","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Hyeon-Kyu Lee; Soyeong Kang; Eun Bok Choi","Stereoselective Synthesis of Norephedrine and Norpseudoephedrine by Using Asymmetric Transfer Hydrogenation Accompanied by Dynamic Kinetic Resolution","Journal of Organic Chemistry","2012","77","","5454","5460","10.1021/jo300867y","","","0.71073","MoKα","","0.0307","0.0289","","","0.0754","0.077","","","","","","1.029","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027257","7.4388","0.0005","26.4633","0.0017","14.6237","0.001","90","","93.58","0.003","90","","2873.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N3 O8 -","- C31 H31 N3 O8 -","- C124 H124 N12 O32 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0527","0.0375","","","0.0752","0.0821","","","","","","1.047","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027261","8.521","0.003","8.286","0.002","14.091","0.004","90","","102.858","0.005","90","","969.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Lilia Fuentes; Urbano Osorio; Leticia Quintero; Herbert Höpfl; Nixache Vázquez-Cabrera; Fernando Sartillo-Piscil","Direct Chemical Method for Preparing 2,3-Epoxyamides Using Sodium Chlorite","Journal of Organic Chemistry","2012","77","","5515","5524","10.1021/jo300542d","","","0.71073","MoKα","","0.0699","0.0497","","","0.1069","0.1243","","","","","","1.007","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027266","9.649","0.0005","5.8746","0.0003","12.3783","0.0007","90","","107.487","0.006","90","","669.23","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0472","0.0344","","","0.0707","0.0732","","","","","","0.926","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027267","7.2906","0.001","6.4842","0.0011","13.31","0.002","90","","104.68","0.01","90","","608.67","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0977","0.0686","","","0.17","0.1868","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027268","10.0211","0.0005","5.8555","0.0002","11.9154","0.0006","90","","93.215","0.002","90","","698.08","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0454","0.0392","","","0.0939","0.097","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027270","6.4233","0.0005","9.7999","0.0007","8.5116","0.0007","90","","100.147","0.004","90","","527.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0493","0.0379","","","0.0895","0.0953","","","","","","1.081","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027279","7.876","0.002","11.589","0.003","16.392","0.004","90","","103.375","0.002","90","","1455.6","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0676","0.0445","","","0.0887","0.0999","","","","","","0.963","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027282","7.6961","0.0002","14.5022","0.0005","9.1795","0.0003","90","","108.628","0.001","90","","970.85","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Br Fe P -","- C22 H21 B Br Fe P -","- C44 H42 B2 Br2 Fe2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0338","0.0293","","","0.0629","0.0647","","","","","","1.058","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027283","7.8827","0.0002","14.6045","0.0003","9.2236","0.0003","90","","108.951","0.001","90","","1004.29","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Fe I P -","- C22 H21 B Fe I P -","- C44 H42 B2 Fe2 I2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0334","0.0314","","","0.0775","0.0788","","","","","","1.042","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027284","7.7546","0.0003","7.9132","0.0003","13.8306","0.0005","90","","94.355","0.002","90","","846.25","0.06","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br O P -","- C19 H16 Br O P -","- C38 H32 Br2 O2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0386","0.0317","","","0.0675","0.0707","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027287","13.6243","0.0001","10.1431","0.0001","16.1047","0.0001","90","","90.032","0.001","90","","2225.55","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","2","","Arben I. Haziri; Christian J. Leumann","Synthesis and Pairing Properties of Oligodeoxynucleotides Containing Bicyclo-RNA and Bicyclo-ANA Modifications","Journal of Organic Chemistry","2012","77","","5861","5869","10.1021/jo300554w","","","0.71073","MoKα","","0.035","0.0314","","","0.089","0.0906","","","","","","1.07","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027321","9.555","0.0004","9.2222","0.0004","13.7263","0.0005","90","","107.389","0.001","90","","1154.26","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C54 H52 B2 O4 P2 -","2","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0323","0.0291","","","0.078","0.0866","","","","","","1.127","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027356","7.4379","0.0009","12.254","0.0015","9.8924","0.0013","90","","94.972","0.003","90","","898.24","0.19","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 Fe N -","- C19 H19 Br2 Fe N -","- C38 H38 Br4 Fe2 N2 -","2","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0565","","","","0.1011","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027397","9.1473","0.0001","22.6768","0.0002","10.6126","0.0001","90","","114.247","0.001","90","","2007.19","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0285","0.0281","","","0.0748","0.0752","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027398","7.4794","0.0004","5.8669","0.0003","21.0058","0.0013","90","","95.322","0.005","90","","917.78","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0496","0.0404","","","0.0973","0.1052","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027399","7.5942","0.0004","5.8783","0.0003","20.3254","0.0009","90","","93.956","0.004","90","","905.18","0.08","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C44 H40 Cl2 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.062","0.046","","","0.1099","0.1239","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027400","7.6626","0.0002","5.8192","0.0003","21.5776","0.0008","90","","93.278","0.003","90","","960.58","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 F3 N O2 -","- C23 H20 F3 N O2 -","- C46 H40 F6 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0706","0.0661","","","0.1557","0.1589","","","","","","1.049","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027405","6.0474","0.0002","6.8974","0.0002","13.9812","0.0004","90","","96.696","0.003","90","","579.2","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","1.5418","CuKα","","0.0351","0.0329","","0.0882","0.0845","0.0869","","","","","","1.0018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027406","6.0224","0.0003","6.8706","0.0003","15.3642","0.0006","90","","93.565","0.002","90","","634.5","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C28 H40 N4 O4 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0582","0.043","","0.1052","0.0971","0.1052","","","","","","0.9669","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027409","10.2047","0.0002","12.2407","0.0002","13.1535","0.0003","90","","101.253","0.001","90","","1611.45","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 B3 O6 -","- C34 H43 B3 O6 -","- C68 H86 B6 O12 -","2","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.0826","0.0763","","","0.1862","0.1911","","","","","","1.043","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027413","9.3522","0.0017","6.0075","0.0011","12.278","0.002","90","","98.837","0.003","90","","681.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0315","0.0259","","","0.0551","0.0568","","","","","","0.993","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027414","9.8613","0.0003","16.2226","0.0005","17.3882","0.0005","90","","98.704","0.001","90","","2749.66","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","2","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0242","0.024","","","0.0625","0.0627","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027418","9.1778","0.0005","11.4057","0.0007","16.8718","0.001","90","","99.864","0.001","90","","1740.02","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 Br N3 O5 S -","- C40 H36 Br N3 O5 S -","- C80 H72 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0217","0.0202","","","0.0514","0.052","","","","","","1.024","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027420","11.1883","0.0006","6.6495","0.0004","14.707","0.0008","90","","100.137","0.001","90","","1077.07","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N3 O5 S -","- C21 H22 Br N3 O5 S -","- C42 H44 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.025","0.0234","","","0.0575","0.0583","","","","","","1.039","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027470","10.505","0.002","24.665","0.004","11.273","0.002","90","","116.31","0.01","90","","2618.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 S2 -","- C28 H34 N2 O3 S2 -","- C112 H136 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.0551","0.0414","","","0.0923","0.1008","","","","","","1.02","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027471","11.5299","0.0008","10.2662","0.0004","11.8713","0.0008","90","","119.144","0.008","90","","1227.29","0.16","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C48 H60 N4 O6 S4 -","2","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0362","0.0336","","","0.0839","0.0858","","","","","","1.007","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027475","13.0891","0.0004","9.7802","0.0003","22.77","0.0016","90","","96.735","0.007","90","","2894.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1101","0.0408","","","0.0811","0.1173","","","","","","1.1","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027479","12.405","0.003","5.4897","0.0014","27.102","0.005","90","","97.034","0.016","90","","1831.7","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O9 -","- C18 H22 O9 -","- C72 H88 O36 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.71073","MoKα","","0.1858","0.0923","","","0.1834","0.2372","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027480","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.049","0.0444","","","0.1175","0.1212","","","","","","1.069","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027484","8.4484","0.0009","5.7765","0.0007","20.541","0.003","90","","92.337","0.003","90","","1001.6","0.2","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C21 H25 N3 O6 -","- C21 H25 N3 O6 -","- C42 H50 N6 O12 -","2","1","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0758","0.0668","","","0.1806","0.1899","","","","","","1.004","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027485","6.299","0.001","39.634","0.008","9.864","0.002","90","","108.327","0.014","90","","2337.7","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C24 H28 Cl2 O6 -","- C24 H28 Cl2 O6 -","- C96 H112 Cl8 O24 -","4","2","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0956","0.0841","","","0.1676","0.1729","","","","","","1.185","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027491","17.4544","0.0018","18.217","0.002","17.9014","0.0018","90","","94.161","0.002","90","","5677","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-4Benzene","","- C72 H66 O4 -","- C69 H63 O4 -","- C276 H252 O16 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1577","0.0934","","","0.1878","0.2145","","","","","","1.051","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027492","8.811","0.003","18.184","0.006","17.936","0.006","90","","92.682","0.007","90","","2870.5","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-3Benzonitrile","","- C69 H57 N3 O4 -","- C69 H57 N3 O4 -","- C138 H114 N6 O8 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1288","0.0768","","","0.1564","0.1814","","","","","","1.05","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027494","8.773","0.004","18.152","0.008","17.899","0.008","90","","92.966","0.009","90","","2847","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-1Nitrobenzene-2Benzene","","- C66 H59 N O6 -","- C66 H59 N O6 -","- C132 H118 N2 O12 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1195","0.0778","","","0.1985","0.2116","","","","","","1.01","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4027502","7.723","0.006","14.057","0.011","9.372","0.007","90","","100.703","0.013","90","","999.7","1.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H18 F6 Fe N O P -","- C18 H18 F6 Fe N O P -","- C36 H36 F12 Fe2 N2 O2 P2 -","2","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.035","0.0339","","","0.0965","0.098","","","","","","1.035","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027504","9.6342","0.0006","31.0416","0.0018","10.4692","0.0006","90","","107.998","0.001","90","","2977.7","0.3","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C24 H25 F12 N O P Pd Sb -","- C24 H25 F12 N O P Pd Sb -","- C96 H100 F48 N4 O4 P4 Pd4 Sb4 -","4","2","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.0306","0.029","","","0.0714","0.0724","","","","","","1.052","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027507","9.6958","0.0006","6.1371","0.0004","10.4129","0.0006","90","","92.587","0.001","90","","618.98","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C26 H38 N2 O8 -","2","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","0.71073","MoKα","","0.0318","0.0307","","","0.0763","0.077","","","","","","1.505","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027509","10.656","0.0002","8.0887","0.0001","12.7562","0.0003","90","","105.223","0.001","90","","1060.92","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 Si -","- C21 H30 O3 Si -","- C42 H60 O6 Si2 -","2","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0406","0.0371","","","0.0895","0.0923","","","","","","1.03","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027512","8.0061","0.0006","12.2611","0.0009","18.0754","0.0015","90","","100.975","0.002","90","","1741.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0618","0.0376","","","0.0861","0.1006","","","","","","1.019","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027518","8.2463","0.0011","8.2323","0.0011","13.291","0.0018","90","","105.257","0.001","90","","870.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Ping Huang; Qin Yang; Zhiyuan Chen; Qiuping Ding; Jingshi Xu; Yiyuan Peng","Metal Cocatalyzed Tandem Alkynylative Cyclization Reaction of in Situ Formed N-Iminoisoquinolinium Ylides with Bromoalkynes via C-H Bond Activation","Journal of Organic Chemistry","2012","77","","8092","8098","10.1021/jo3013429","","","0.71073","MoKα","","0.0455","0.0373","","","0.0955","0.1012","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027532","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.0492","0.0445","","","0.1191","0.1229","","","","","","1.069","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027536","10.8975","0.0004","18.7065","0.0008","11.7408","0.0005","90","","92.968","0.003","90","","2390.2","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","2","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.096","0.0482","","","0.1253","0.187","","","","","","0.99","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027538","10.068","0.003","9.308","0.002","11.584","0.003","90","","108.829","0.01","90","","1027.5","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1246","0.0714","","","0.2309","0.2943","","","","","","1.156","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027545","10.17209","0.00014","18.426","0.0003","18.4308","0.0003","90","","90.2749","0.0013","90","","3454.46","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C128 H144 N16 O32 S16 -","4","2","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54184","CuKα","","0.0637","0.0609","","","0.1534","0.156","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027551","11.898","0.002","8.131","0.0006","12.412","0.002","90","","114.293","0.004","90","","1094.4","0.3","298","2","298","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C23 H25 F2 N O4 -","- C23 H25 F2 N O4 -","- C46 H50 F4 N2 O8 -","2","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","","0.71073","MoKα","","0.097","0.0553","","","0.1265","0.1508","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027566","6.579","0.002","8.691","0.003","12.535","0.005","90","","97.438","0.007","90","","710.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.0763","0.0441","","","0.105","0.1258","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027576","8.0272","0.0004","25.3773","0.0012","9.6448","0.0004","90","","91.76","","90","","1963.8","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N O2.5 -","- C19 H25 Br N O2.5 -","- C76 H100 Br4 N4 O10 -","4","2","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","0.71073","MoKα","","0.135","0.0402","","","0.0631","0.0722","","","","","","0.702","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027603","12.5742","0.0014","10.484","0.0011","14.8433","0.0015","90","0.001","96.8734","0.001","90","0.001","1942.7","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 N2 -","- C46 H56 N2 -","- C92 H112 N4 -","2","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0593","0.0555","","","0.127","0.1292","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027623","6.8494","0.0003","12.5402","0.0004","12.5449","0.0005","90","","96.212","0.004","90","","1071.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H23 N -","- C30 H23 N -","- C60 H46 N2 -","2","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.046","0.0377","","","0.0818","0.088","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027636","13.6063","0.0002","9.6562","0.0001","14.2364","0.0003","90","","98.806","0.001","90","","1848.4","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N O6 Si2 -","- C38 H51 N O6 Si2 -","- C76 H102 N2 O12 Si4 -","2","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0319","","","0.0794","0.0797","","","","","","1.075","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027639","15.7089","0.0005","9.9523","0.0003","19.9434","0.0007","90","","112.017","0.002","90","","2890.56","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N4 O4 Si -","- C31 H32 N4 O4 Si -","- C124 H128 N16 O16 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0399","0.0371","","","0.0935","0.0958","","","","","","1.03","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027641","7.0802","0.0001","34.2482","0.0004","7.5495","0.0001","90","","92.706","0.001","90","","1828.59","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O6 -","- C17 H22 N4 O6 -","- C68 H88 N16 O24 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0374","0.0364","","","0.096","0.097","","","","","","1.033","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027644","15.119","0.0019","8.9169","0.0011","40.931","0.004","90","","90.158","0.005","90","","5518.1","1.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C43 H49 N5 O7 Si -","- C43 H49 N5 O7 Si -","- C172 H196 N20 O28 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1431","0.0847","","","0.2097","0.225","","","","","","0.876","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027649","10.213","0.002","5.204","0.001","15.962","0.003","90","","100.28","0.03","90","","834.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phaeosphaeride A - RRR Enantiomer","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C30 H46 N2 O10 -","2","1","","Anthoula Chatzimpaloglou; Maria P. Yavropoulou; Karien E. Rooij; Ralf Biedermann; Uwe Mueller; Stefan Kaskel; Vasiliki Sarli","Total Synthesis and Biological Activity of the Proposed Structure of Phaeosphaeride A","Journal of Organic Chemistry","2012","77","","9659","9667","10.1021/jo301662e","","","0.88561","synchrotron","","0.1225","0.0778","","","0.1906","0.2191","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027663","8.348","0.0002","17.558","0.0004","9.6511","0.0003","90","","115.451","0.001","90","","1277.32","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0757","0.0589","","","0.1541","0.1666","","","","","","1.102","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027666","12.578","0.005","6.194","0.002","14.866","0.006","90","","108.503","0.01","90","","1098.3","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C50 H56 Cl2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1117","0.0555","","","0.0923","0.1233","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027670","12.813","0.004","6.246","0.002","15.497","0.005","90","","110.299","0.004","90","","1163.2","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 I N O3 S -","- C25 H28 I N O3 S -","- C50 H56 I2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0594","0.0472","","","0.1122","0.1209","","","","","","1.024","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027672","7.4864","0.0005","9.6715","0.0005","10.1691","0.0004","90","","90.966","0.004","90","","736.19","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0485","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027676","11.2632","0.0016","4.6207","0.0006","13.8939","0.0017","90","","110.966","0.003","90","","675.22","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","1","","Hanchao Cheng; Dingqiao Yang","Iridium-Catalyzed Asymmetric Ring-Opening of Oxabenzonorbornadienes with Phenols","Journal of Organic Chemistry","2012","77","","9756","9765","10.1021/jo3018507","","","0.71073","MoKα","","0.0395","0.0349","","","0.1006","0.1061","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027695","15.696","0.0005","12.2229","0.0004","17.2068","0.0005","90","","105.378","0.001","90","","3182.95","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 F24 O9 -","- C22 H22 F24 O9 -","- C88 H88 F96 O36 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0451","0.0312","","","0.0649","0.0744","","","","","","0.989","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027696","8.1163","0.0004","21.2609","0.001","12.7665","0.0003","90","","102.562","0.003","90","","2150.25","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 F20 O4.5 -","- C15 H11 F20 O4.5 -","- C60 H44 F80 O18 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.051","0.0305","","","0.0484","0.0521","","","","","","0.918","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027701","11.046","0.0002","19.7743","0.0003","18.3995","0.0003","90","","91.3656","0.0007","90","","4017.8","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H56 F40 N6 O8 -","- C80 H56 F40 N6 O8 -","- C160 H112 F80 N12 O16 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.052","0.0394","","","0.1038","0.1149","","","","","","1.01","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027707","9.47","0.02","6.58","0.01","10.22","0.02","90","","106.01","0.06","90","","612","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 F6 O5 -","- C9 H10 F6 O5 -","- C18 H20 F12 O10 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1179","0.0568","","","0.12","0.146","","","","","","0.971","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027717","9.8448","0.0011","10.711","0.0018","10.5116","0.0017","90","","115","0.01","90","","1004.6","0.3","295","2","295","2","","","","","","","Synthesis as described","5","P 1 21 1","P 2yb","4","","(1S,2R)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C44 H52 Br2 N2 O2 -","2","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0395","0.0348","","","0.0834","0.0863","","","","","","1.075","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027736","15.872","0.0004","6.902","0.0001","24.425","0.0006","90","","108.057","0.001","90","","2543.94","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C55 H72 Cl2 O6 -","- C55.001 H72.002 Cl2.002 O6 -","- C110.002 H144.004 Cl4.004 O12 -","2","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1099","0.0582","","","0.1356","0.1643","","","","","","0.883","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027751","8.752","0.002","9.601","0.003","34.398","0.009","90","","90.406","0.004","90","","2890.3","1.4","100","2","100","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","3-(4-methoxyphenylimino)cholest-4-ene-6-one","","- C34 H49 N O2 -","- C34 H49 N O2 -","- C136 H196 N4 O8 -","4","2","","Xin Geng; Joel T. Mague; Robert A. Pascal","Synthesis and Chiroptical Properties of Arylimines of Cholest-4-ene-3,6-dione","Journal of Organic Chemistry","2012","77","","10920","10924","10.1021/jo301591g","","","0.71073","MoKα","","0.0909","0.0739","","","0.1867","0.2017","","","","","","1.088","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027758","10.3054","0.0004","10.0632","0.0004","10.8269","0.0003","90","","94.886","0.001","90","","1118.73","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H40 N O5 -","- C22 H40 N O5 -","- C44 H80 N2 O10 -","2","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","x-ray","0.71073","MoKα","","0.0402","0.0385","","","0.1138","0.1153","","","","","","1.094","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027760","8.9677","0.0009","5.2389","0.0007","17.839","0.002","90","","94.853","0.004","90","","835.09","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","KA254, A enantiomer","[(1R,2S,5R,6S,7R)-2-(4-bromophenyl)-7-(diethylamino)-3- oxabicyclo[3.2.0]heptan-6-yl]methanol","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C34 H48 Br2 N2 O4 -","2","1","","Kerti Ausmees; Kadri Kriis; Tõnis Pehk; Franz Werner; Ivar Järving; Margus Lopp; Tõnis Kanger","Diastereoselective Multicomponent Cascade Reaction Leading to [3.2.0]-Heterobicyclic Compounds","Journal of Organic Chemistry","2012","77","","10680","10687","10.1021/jo3019413","","","0.71073","MoKα","","0.0433","0.0332","","","0.0751","0.0804","","","","","","0.902","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027769","10.845","0.005","9.451","0.005","12.818","0.006","90","","113.506","0.005","90","","1204.8","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H27 N -","- C33 H27 N -","- C66 H54 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","0.71073","MoKα","","0.1309","0.0577","","","0.0741","0.0928","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027776","7.2395","0.0006","11.7179","0.001","10.5844","0.0009","90","","105.319","0.002","90","","865.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C38 H32 I2 N2 O6 -","2","1","","Min-Qiang Jia; Chuan Liu; Shu-Li You","Diastereoselective and Enantioselective Desymmetrization of α-Substituted Cyclohexadienones via Intramolecular Stetter Reaction","Journal of Organic Chemistry","2012","77","","10996","11001","10.1021/jo3022555","","","0.71073","MoKα","","0.0261","0.0255","","","0.0573","0.0577","","","","","","1.07","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027777","12.6","0.03","9.57","0.03","17.72","0.05","90","","105.88","0.02","90","","2055","10","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O6 -","- C20 H17 Br N2 O6 -","- C80 H68 Br4 N8 O24 -","4","2","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.1502","0.0513","","","0.1102","0.1558","","","","","","0.872","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027778","8.302","0.01","9.769","0.012","13.135","0.016","90","","99.38","0.011","90","","1051","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O4 -","- C22 H21 Br N2 O4 -","- C44 H42 Br2 N4 O8 -","2","1","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.0842","0.0505","","","0.1196","0.1362","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027780","8.7058","0.001","13.9305","0.0016","9.1612","0.001","90","","94.954","0.003","90","","1106.9","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C46 H54 N2 O12 S2 -","2","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0495","0.0442","","","0.1074","0.113","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027781","8.601","0.0003","8.487","0.0002","13.3739","0.0004","90","","105.396","0.004","90","","941.22","0.05","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O2 -","- C23 H18 Cl N O2 -","- C46 H36 Cl2 N2 O4 -","2","1","","Jian Zuo; Yu-Hua Liao; Xiao-Mei Zhang; Wei-Cheng Yuan","Organocatalyzed Enantioselective Decarboxylative Stereoablation Reaction for the Construction of 3,3'-Disubstituted Oxindoles Using β-Ketoacids and 3-Halooxindoles","Journal of Organic Chemistry","2012","77","","11325","11332","10.1021/jo302048v","","","0.71073","MoKα","","0.0606","0.0494","","","0.1267","0.1362","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027789","10.1646","0.0006","8.383","0.0007","11.7462","0.0007","90","","99.691","0.006","90","","986.61","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 I O2 -","- C22 H21 I O2 -","- C44 H42 I2 O4 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0506","0.0394","","","0.0876","0.095","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027797","10.658","0.0003","7.345","0.0003","16.586","0.0008","90","","90","","90","","1298.4","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","","Izabella Jastrzębska; Marcin Górecki; Jadwiga Frelek; Rosa Santillan; Leszek Siergiejczyk; Jacek W. Morzycki","Photoinduced Isomerization of 23-Oxosapogenins: Conformational Analysis and Spectroscopic Characterization of 22-Isosapogenins","Journal of Organic Chemistry","2012","77","","11257","11269","10.1021/jo3022549","","","0.71073","MoKα","","0.0537","0.0492","","","0.1259","0.1303","","","","","","1.049","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027798","7.8847","0.0003","8.9681","0.0003","14.7329","0.0005","90","","102.011","0.005","90","","1018.97","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O8 -","- C20 H18 Br N O8 -","- C40 H36 Br2 N2 O16 -","2","1","","Fernando Cagide-Fagín; Olaia Nieto-García; Hugo Lago-Santomé; Ricardo Alonso","Enantioselective Synthesis of Protected Nitrocyclohexitols with Five Stereocenters. Total Synthesis of (+)-Pancratistatin","Journal of Organic Chemistry","2012","77","","11377","11382","10.1021/jo3022567","","x-ray","0.7107","MoKα","","0.045","0.035","","","0.069","0.0711","","","","","","1.233","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027843","7.0798","0.0002","32.916","0.0006","7.4809","0.0002","90","","113.621","0.003","90","","1597.28","0.08","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0379","0.0353","","","0.0945","0.0957","","","","","","1.022","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027844","7.7048","0.0007","9.761","0.0009","9.6507","0.0009","90","","98.352","0.002","90","","718.1","0.11","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0347","0.0334","","","0.0795","0.0804","","","","","","1.043","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027847","7.2654","0.0006","8.3363","0.0007","12.6898","0.0011","90","","105.698","0.001","90","","739.91","0.11","130","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0304","0.0299","","","0.0764","0.0768","","","","","","1.09","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027861","9.5901","0.0003","10.9851","0.0003","13.8555","0.0004","90","","96.0403","0.0016","90","","1451.55","0.07","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2R)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C26 H41 N5 O7 -","- C26 H41 N5 O7 -","- C52 H82 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0703","0.0439","","","0.0976","0.1115","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027862","10.4604","0.0002","9.9778","0.0002","14.1658","0.0003","90","","106.443","0.0011","90","","1418.04","0.05","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2S)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C25 H39 N5 O7 -","- C25 H39 N5 O7 -","- C50 H78 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0619","0.0537","","","0.1409","0.1478","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027865","9.202","0.002","14.17","0.003","9.299","0.002","90","","98.369","0.006","90","","1199.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0723","0.0577","","","0.1276","0.1333","","","","","","0.928","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027868","11.536","0.002","16.964","0.003","13.756","0.002","90","","96.314","0.002","90","","2675.7","0.8","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N2 O3 -","- C32 H25 N2 O3 -","- C128 H100 N8 O12 -","4","2","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0664","0.0525","","","0.1446","0.1551","","","","","","1.077","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027875","8.4418","0.0014","8.2966","0.0015","13.3072","0.0019","90","","107.831","0.008","90","","887.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S)-2-(3'-Oxocyclopentyl)-2-[2-(p-tolylsulfonyl)phenyl]propanenitrile","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0826","0.0539","","","0.1315","0.1498","","","","","","1.082","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027876","8.7205","0.0004","8.3352","0.0003","26.3932","0.001","90","","98.68","0.002","90","","1896.47","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S,2'R)-2-(2'-Methyl-3'-oxocyclopentyl)-2-[2-(p-tolylsulfonyl)- phenyl]propanenitrile","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","2","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","1.54178","CuKα","","0.0522","0.0501","","","0.127","0.1286","","","","","","1.105","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027878","12.737","0.003","6.8278","0.0014","13.272","0.003","90","","107.93","0.03","90","","1098.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N O4 -","- C22 H37 N O4 -","- C44 H74 N2 O8 -","2","1","","Houhua Li; Xiaoming Wang; Benke Hong; Xiaoguang Lei","Collective Synthesis of Lycopodium Alkaloids and Tautomer Locking Strategy for the Total Synthesis of (-)-Lycojapodine A","Journal of Organic Chemistry","2013","78","","800","821","10.1021/jo3017555","","","0.71073","MoKα","","0.0748","0.0675","","","0.1934","0.2093","","","","","","1.328","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027879","9.475","0.005","11.821","0.005","13.921","0.005","90","0.005","101.921","0.005","90","0.005","1525.6","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N O S -","- C34 H47 N O S -","- C68 H94 N2 O2 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1464","0.0939","","","0.2198","0.2762","","","","","","1.056","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027882","9.975","0.005","6.85","0.005","15.836","0.005","90","0.005","104.034","0.005","90","0.005","1049.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 O6 S -","- C19 H23 N3 O6 S -","- C38 H46 N6 O12 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.0952","0.0518","","","0.1082","0.1365","","","","","","0.946","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4027883","5.9102","0.0011","19.665","0.003","16.793","0.003","90","","91.701","0.017","90","","1950.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N O6 S -","- C19 H23 N O6 S -","- C76 H92 N4 O24 S4 -","4","2","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1855","0.0957","","","0.1918","0.2398","","","","","","0.993","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027884","6.4421","0.0001","13.8099","0.0003","25.0821","0.0005","90","","94.746","0.001","90","","2223.77","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C21 H23 Br N2 O7 S -","- C21 H23 Br N2 O7 S -","- C84 H92 Br4 N8 O28 S4 -","4","2","","Michelle Bezanson; Joshua Pottel; Rana Bilbeisi; Sylvestre Toumieux; Mickaël Cueto; Nicolas Moitessier","Stereo- and Regioselective Synthesis of Polysubstituted Chiral 1,4-Oxazepanes","Journal of Organic Chemistry","2013","78","","872","885","10.1021/jo3021715","","","1.54178","CuKα","","0.0238","0.0235","","","0.0629","0.0632","","","","","","1.069","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027926","10.188","0.005","9.927","0.005","11.211","0.005","90","","109.129","0.005","90","","1071.2","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C19 H28 F3 N O4 S -","- C19 H28 F3 N O4 S -","- C38 H56 F6 N2 O8 S2 -","2","1","","Fabienne Grellepois","Enantiopure Trifluoromethylated β3,3-Amino Acids: Synthesis by Asymmetric Reformatsky Reaction with Stable Analogues of TrifluoromethylN-tert-Butanesulfinylketoimines and Incorporation into α/β-Peptides","Journal of Organic Chemistry","2013","78","","1127","1137","10.1021/jo302549v","","x-ray","0.71073","MoKα","","0.1059","0.0553","","","0.083","0.0978","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027949","11.903","0.0002","12.439","0.0002","20.873","0.0003","90","","89.805","0.0008","90","","3090.47","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C128 H104 F24 N8 O24 S8 -","4","2","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0702","0.0439","","","0.1029","0.114","","","","","","1.012","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027972","9.0163","0.0009","8.9386","0.0009","10.7156","0.001","90","","104.137","0.001","90","","837.45","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11197a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0397","0.0344","","","0.0821","0.086","","","","","","1.072","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027988","9.8314","0.0002","9.0122","0.0002","13.5105","0.0003","90","","99.774","0.001","90","","1179.69","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [endo-5-((1''SR)-1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0652","0.0416","","","0.1008","0.1143","","","","","","1.017","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028023","11.506","0.003","22.806","0.005","12.71","0.003","90","","107.571","0.003","90","","3179.6","1.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H70 O8 Si4 -","- C56 H102 O8 Si4 -","- C112 H204 O16 Si8 -","2","1","","Liang Lu; Wei Zhang; Sangkil Nam; David A. Horne; Richard Jove; Rich G. Carter","Amphidinolide B: Total Synthesis, Structural Investigation, and Biological Evaluation","Journal of Organic Chemistry","2013","78","","2213","2247","10.1021/jo3026077","","","0.71073","MoKα","","0.0986","0.0709","","","0.1756","0.198","","","","","","0.999","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028041","9.254","0.0014","17.036","0.003","10.3534","0.0016","90","","94.202","0.003","90","","1627.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N5 O8 -","- C27 H51 N5 O8 -","- C54 H102 N10 O16 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0727","0.049","","","0.0639","0.0694","","","","","","0.831","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028042","11.926","0.002","8.7132","0.0017","13.814","0.003","90","","94.826","0.004","90","","1430.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C48 H86 N10 O14 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0914","0.0681","","","0.1087","0.1178","","","","","","1.021","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028051","10.3911","0.0003","9.1043","0.0002","13.9722","0.0004","90","","109.534","0.0011","90","","1245.74","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C52 H70 N2 O8 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","0.71073","MoKα","","0.0421","0.0352","","0.0873","0.08","0.0873","","","","","","0.9414","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028052","9.9357","0.0005","5.3382","0.0005","25.56","0.003","90","","90.009","0.007","90","","1355.7","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N5 O9 S -","- C23 H33 N5 O9 S -","- C46 H66 N10 O18 S2 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0996","0.0907","","0.2431","0.2365","0.2431","","","","","","1.0363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028054","8.491","0.004","7.053","0.005","15.167","0.008","90","","99.67","0.01","90","","895.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Giordano Lesma; Roberto Cecchi; Alfredo Cagnotto; Marco Gobbi; Fiorella Meneghetti; Manuele Musolino; Alessandro Sacchetti; Alessandra Silvani","Tetrahydro-β-carboline-Based Spirocyclic Lactam as Type II' β-Turn: Application to the Synthesis and Biological Evaluation of Somatostatine Mimetics","Journal of Organic Chemistry","2013","78","","2600","2610","10.1021/jo302737j","","x-ray","0.71073","MoKα","","0.0636","0.0582","","","0.1514","0.1592","","","","","","1.061","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028069","8.3104","0.0009","32.937","0.003","11.4746","0.0012","90","","110.755","0.004","90","","2937","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 Cl N3 O8 -","- C33 H28 Cl N3 O8 -","- C132 H112 Cl4 N12 O32 -","4","2","","Bing Zhou; Yaxi Yang; Jingjing Shi; Zhi Luo; Yuanchao Li","Synthesis of Six-Membered Spirocyclic Oxindoles with Five Consecutive Stereocenters in an Asymmetric Organocatalytic One-Pot Michael/Michael/Aldol Addition Sequence","Journal of Organic Chemistry","2013","78","","2897","2907","10.1021/jo302655u","","","0.71073","MoKα","","0.1542","0.1325","","","0.3514","0.3639","","","","","","1.447","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028070","9.5814","0.0002","6.9221","0.0002","12.0783","0.0003","90","","110.016","0.001","90","","752.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Robert D. Giacometti; Jan Duchek; Lukas Werner; Afeef S. Husni; Christopher R. McCurdy; Stephen J. Cutler; D. Phillip Cox; Tomas Hudlicky","Heteroatom Analogues of Hydrocodone: Synthesis and Biological Activity","Journal of Organic Chemistry","2013","78","","2914","2925","10.1021/jo3026753","","","1.54178","CuKα","","0.0307","0.0305","","","0.0852","0.0854","","","","","","1.068","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028077","6.1467","0.001","23.558","0.004","9.1819","0.0015","90","","107.636","0.002","90","","1267.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl4 N O4 S2 -","- C24 H21 Cl4 N O4 S2 -","- C48 H42 Cl8 N2 O8 S4 -","2","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0325","0.0285","","","0.0605","0.0619","","","","","","1.048","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028086","9.4776","0.0006","10.8233","0.0007","19.093","0.002","90","","97.824","0.007","90","","1940.3","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Br N O4 S -","- C18 H24 Br N O4 S -","- C72 H96 Br4 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Paul Evans","Double Reduction of Cyclic Aromatic Sulfonamides: Synthesis of (+)-Mesembrine and (+)-Mesembranol","Journal of Organic Chemistry","2013","78","","3410","3415","10.1021/jo4000306","","","0.71073","MoKα","","0.0583","0.0477","","","0.1127","0.1197","","","","","","1.053","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028096","14.211","0.0007","8.2737","0.0003","19.509","0.001","90","","109.519","0.005","90","","2162","0.19","120","1","120","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","2","","Kavirayani R. Prasad; Phaneendra Gutala","Total Synthesis and Determination of the Absolute Configuration of 5,6-Dihydro-α-pyrone Natural Product Synargentolide B","Journal of Organic Chemistry","2013","78","","3313","3322","10.1021/jo400083v","","x-ray","0.71073","MoKα","","0.0677","0.0507","","","0.1065","0.119","","","","","","1.04","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028107","9.0919","0.0003","12.6482","0.0004","11.9258","0.0004","90","","94.663","0.002","90","","1366.88","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0469","0.04","","","0.102","0.1136","","","","","","1.076","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028108","9.1148","0.0003","10.8578","0.0004","15.6645","0.0006","90","","106.397","0.002","90","","1487.21","0.09","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C70 H66 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0408","0.0359","","","0.0928","0.1028","","","","","","1.097","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028112","13.044","0.0007","9.9527","0.0005","13.2043","0.0007","90","","114.231","0.002","90","","1563.2","0.14","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 N O4 S -","- C35 H39 N O4 S -","- C70 H78 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0801","0.0506","","","0.1118","0.1359","","","","","","1.07","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028150","8.0955","0.001","5.7255","0.0006","14.7233","0.0015","90","","90.723","0.005","90","","682.38","0.13","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0344","0.0327","","","0.0909","0.0934","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028157","8.106","0.0002","5.947","0.0002","19.389","0.0005","90","","101.38","0.001","90","","916.3","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0275","0.0272","","","0.0725","0.0728","","","","","","1.057","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028160","6.9339","0.0007","7.4506","0.0007","12.9466","0.0013","90","","90.3446","0.0013","90","","668.83","0.11","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","","Fumiya Urabe; Shunsuke Nagashima; Keisuke Takahashi; Jun Ishihara; Susumi Hatakeyama","Total Synthesis of (-)-Cinatrin C1 Based on an In(OTf)3-Catalyzed Conia-Ene Reaction","Journal of Organic Chemistry","2013","78","","3847","3857","10.1021/jo400263w","","","0.7107","MoKα","","","0.0346","","","","0.0871","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028161","13.0314","0.0003","19.7442","0.0006","13.2272","0.0003","90","","116.922","0.001","90","","3034.45","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H86 O10 S Si8 -","- C36 H86 O10 S Si8 -","- C72 H172 O20 S2 Si16 -","2","1","","Xiaojun Zeng; Raymond Smith; Xiangming Zhu","Synthesis of Thioglycoside Analogues of Maradolipid","Journal of Organic Chemistry","2013","78","","4165","4170","10.1021/jo400274s","","","0.71073","MoKα","","0.1575","0.099","","","0.2428","0.2589","","","","","","1.682","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028167","9.679","0.006","9.166","0.005","16.543","0.01","90","","98.455","0.015","90","","1451.7","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54178","CuKα","","0.0875","0.0766","","","0.1993","0.23","","","","","","0.954","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028169","5.954","0.017","8.03","0.03","15.54","0.04","90","","96.65","0.04","90","","738","4","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C32 H28 Br2 N2 O4 -","2","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.055","","","","0.1175","","","","","","0.927","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028189","5.3049","0.0017","12.08","0.004","17.045","0.005","90","","94.079","0.004","90","","1089.5","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O S2 -","- C23 H21 F2 N O S2 -","- C46 H42 F4 N2 O2 S4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0601","0.0428","","","0.0812","0.0898","","","","","","1.047","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028191","8.247","0.003","5.0946","0.0016","14.235","0.005","90","","100.136","0.004","90","","588.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0741","0.0554","","","0.1429","0.1598","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028201","13.1622","0.0012","14.1592","0.0012","15.1685","0.0014","90","","90","","90","","2826.9","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O2 S Si -","- C27 H44 N2 O2 S Si -","- C108 H176 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.031","0.0293","","","0.0942","0.0976","","","","","","0.86","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028221","5.3738","0.0004","5.4329","0.0004","16.3535","0.0012","90","","95.509","0.002","90","","475.24","0.06","296","2","296","2","","","","","","","total synthesis","5","P 1 21 1","P 2yb","4","caulibugulone C","6-chloro-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Cl N2 O2 -","- C10 H7 Cl N2 O2 -","- C20 H14 Cl2 N4 O4 -","2","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0593","0.0387","","","0.1144","0.1442","","","","","","0.851","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028225","5.3844","0.0014","9.514","0.002","22.874","0.006","90","","95.216","0.003","90","","1166.9","0.5","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 Cl N2 O4 -","- C22 H35 Cl N2 O4 -","- C44 H70 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Dongyue Xin; Lisa M. Perez; Kevin Burgess","Expanding the Scope of Oligo-pyrrolinone-Pyrrolidines as Protein-Protein Interface Mimics","Journal of Organic Chemistry","2013","78","","4823","4833","10.1021/jo400323k","","","0.71073","MoKα","","0.0589","0.0499","","","0.113","0.1174","","","","","","1.065","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028226","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Nagarathanam Veerasamy; Erik C. Carlson; Nathan D. Collett; Mrinmoy Saha; Rich G. Carter","Enantioselective Approach to Quinolizidines: Total Synthesis of Cermizine D and Formal Syntheses of Senepodine G and Cermizine C","Journal of Organic Chemistry","2013","78","","4779","4800","10.1021/jo400324t","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028227","12.493","0.003","6.4889","0.0013","13.275","0.003","90","","97.91","0.03","90","","1065.9","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O3 Si -","- C23 H27 N O3 Si -","- C46 H54 N2 O6 Si2 -","2","1","","Paidi Venkatram Reddy; Julien Smith; Anushree Kamath; Hélène Jamet; Amaël Veyron; Peter Koos; Christian Philouze; Andrew E. Greene; Philippe Delair","Asymmetric Approach to Hyacinthacines B1 and B2","Journal of Organic Chemistry","2013","78","","4840","4849","10.1021/jo400386f","","x-ray","0.71073","MoKα","","0.097","0.08","","","0.1888","0.213","","","","","","1.1","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028272","7.1704","0.0002","9.1427","0.0002","9.7023","0.0002","90","","93.713","0.002","90","","634.72","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C30 H36 O4 -","2","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0422","0.0355","","","0.0852","0.0895","","","","","","1.059","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028274","9.556","0.003","7.2095","0.0019","20.257","0.005","90","","96.12","0.004","90","","1387.6","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.0786","0.0518","","","0.1055","0.1125","","","","","","0.927","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028275","9.852","0.002","22.69","0.005","11.49","0.002","90","","94.817","0.003","90","","2559.4","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","4","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.1215","0.0714","","","0.1413","0.1623","","","","","","1.046","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028280","9.22335","0.0002","14.6654","0.0003","9.7778","0.0002","90","","116.253","0.003","90","","1186.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl2 N2 -","- C25 H30 Cl2 N2 -","- C50 H60 Cl4 N4 -","2","1","","Juan Agut; Andreu Vidal; Santiago Rodríguez; Florenci V. González","Dynamic Kinetic Asymmetric Ring-Opening/Reductive Amination Sequence of Racemic Nitroepoxides with Chiral Amines: Enantioselective Synthesis of Chiral Vicinal Diamines","Journal of Organic Chemistry","2013","78","","5717","5722","10.1021/jo400501k","","","1.54184","CuKα","","0.0402","0.0355","","","0.0915","0.0961","","","","","","1.048","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028298","9.9176","0.0005","13.8269","0.0007","14.4534","0.0007","90","","102.099","0.003","90","","1937.96","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H45 Cl2 N O10 S -","- C37 H45 Cl2 N O10 S -","- C74 H90 Cl4 N2 O20 S2 -","2","1","","Nicholas A. Magnus; Bret A. Astleford; Dana L. T. Laird; Todd D. Maloney; Adam D. McFarland; John R. Rizzo; J. Craig Ruble; Gregory A. Stephenson; James P. Wepsiec","Additives Promote Noyori-type Reductions of a β-Keto-γ-lactam: Asymmetric Syntheses of Serotonin Norepinephrine Reuptake Inhibitors","Journal of Organic Chemistry","2013","78","","5768","5774","10.1021/jo400589j","","","1.54178","CuKα","","0.0557","0.05","","","0.1317","0.1406","","","","","","1.038","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028301","9.348","0.0001","8.2678","0.0001","10.8164","0.0007","90","","90.855","0.006","90","","835.88","0.06","113","","113","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.039","","","","0.1207","","","","","","1.019","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028302","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028310","8.0528","0.0009","11.9625","0.0013","24.136","0.003","90","","93.301","0.008","90","","2321.2","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C104 H112 F4 N4 O16 S4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2013","0.1722","","","0.4482","0.4699","","","","","","1.705","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028328","7.176","0.007","9.371","0.009","23.35","0.02","90","","90","","90","","1570","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H51 B F2 N2 O -","- C36 H51 B F2 N2 O -","- C72 H102 B2 F4 N4 O2 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.2527","0.1269","","","0.223","0.3782","","","","","","0.786","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028329","7.57","0.017","14.2","0.03","10.9","0.02","90","","106.63","0.05","90","","1123","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 B F2 N2 O2 -","- C27 H27 B F2 N2 O2 -","- C54 H54 B2 F4 N4 O4 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.1366","0.0692","","","0.1508","0.1833","","","","","","0.855","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028330","9.8209","0.0013","11.2394","0.0016","13.1369","0.0018","90","","107.284","0.01","90","","1384.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 N O5 S -","- C30 H41 N O5 S -","- C60 H82 N2 O10 S2 -","2","1","","Remya Ramesh; Pandrangi Siva Swaroop; Rajesh G. Gonnade; Choppari Thirupathi; Rebeccah A. Waterworth; Jocelyn G. Millar; D. Srinivasa Reddy","Syntheses and Determination of Absolute Configurations and Biological Activities of the Enantiomers of the Longtailed Mealybug Pheromone","Journal of Organic Chemistry","2013","78","","6281","6284","10.1021/jo400491n","","","0.71073","MoKα","","0.0954","0.0524","","","0.0902","0.1053","","","","","","0.996","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028347","5.9436","0.0004","24.018","0.002","5.9435","0.0005","90","","93.857","0.002","90","","846.53","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C30 H50 N6 O10 -","2","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0378","0.0363","","","0.0908","0.0916","","","","","","1.062","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028348","7.657","0.0015","5.566","0.0011","16.401","0.003","90","","99.53","0.03","90","","689.3","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Jing Wang; Xiaohua Liu; Shunxi Dong; Lili Lin; Xiaoming Feng","Asymmetric Organocatalytic Cyclopropanation of Cinnamone Derivatives with Stabilized Sulfonium Ylides","Journal of Organic Chemistry","2013","78","","6322","6327","10.1021/jo400743b","","","1.54186","CuKα","","0.0492","0.048","","","0.1098","0.1103","","","","","","1.276","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028350","7.7724","0.0013","7.417","0.0006","12.6426","0.0013","90","","104.774","0.014","90","","704.72","0.16","297.1","0.1","297.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","","Bowen Fang; Xingang Xie; Changgui Zhao; Peng Jing; Huilin Li; Zhengshen Wang; Jixiang Gu; Xuegong She","Asymmetric Total Synthesis of Fusarentin 6-Methyl Ether and Its Biomimetic Transformation into Fusarentin 6,7-Dimethyl Ether, 7-O-Demethylmonocerin, and (+)-Monocerin","Journal of Organic Chemistry","2013","78","","6338","6343","10.1021/jo400760q","","","0.7107","MoKα","","0.0689","0.0475","","","0.0989","0.1137","","","","","","1.055","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028367","9.978","0.006","8.194","0.005","17.056","0.01","90","","95.767","0.007","90","","1387.4","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","2","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1468","0.077","","","0.1708","0.2098","","","","","","0.988","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028392","9.0028","0.0009","22.187","0.002","9.7931","0.001","90","","110.278","0.002","90","","1834.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","2","","Xiao-Fei Yang; Wei-Hua Yu; Chang-Hua Ding; Qiu-Ping Ding; Shi-Li Wan; Xue-Long Hou; Li-Xin Dai; Pin-Jie Wang","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Allylation of Nitroalkanes with Monosubstituted Allylic Substrates","Journal of Organic Chemistry","2013","78","","6503","6509","10.1021/jo400663d","","","0.71073","MoKα","","0.0932","0.0463","","","0.1067","0.1265","","","","","","0.978","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028395","11.2336","0.0007","6.569","0.0005","23.8716","0.0019","90","","102.137","0.003","90","","1722.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Cl N O4 -","- C17 H24 Cl N O4 -","- C68 H96 Cl4 N4 O16 -","4","2","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0597","0.0454","","","0.1029","0.109","","","","","","1.05","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028402","7.8821","0.0008","11.6183","0.0007","10.8273","0.0008","90","","111.059","0.01","90","","925.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O2 -","- C17 H33 N3 O2 -","- C34 H66 N6 O4 -","2","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0427","0.0386","","","0.1015","0.1046","","","","","","1.046","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028408","11.3784","0.0019","5.7382","0.0008","13.148","0.003","90","","114.27","0.02","90","","782.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","aminopropenol","Heterocycles","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Akhilesh K. Verma; Deepak Choudhary; Rakesh K. Saunthwal; Vineeta Rustagi; Monika Patel; Rakesh K. Tiwari","On Water: Silver-Catalyzed Domino Approach for the Synthesis of Benzoxazine/Oxazine-Fused Isoquinolines and Naphthyridines from o-Alkynyl Aldehydes","Journal of Organic Chemistry","2013","78","","6657","6669","10.1021/jo4009639","","","0.71073","MoKα","","0.0664","0.0503","","","0.105","0.1157","","","","","","1.055","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028409","9.0484","0.0002","12.2605","0.0004","11.764","0.0003","90","","100.383","0.003","90","","1283.7","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound-9","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Pravat Mondal; Narshinha P. Argade","Enantioselective Total Synthesis of Desbromoarborescidines A-C and the Formal Synthesis of (S)-Deplancheine","Journal of Organic Chemistry","2013","78","","6802","6808","10.1021/jo401079v","","","0.7107","MoKα","","0.0606","0.0509","","","0.1604","0.1717","","","","","","1.168","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028414","10.7715","0.0005","9.7199","0.0005","12.6088","0.0007","90","","104.709","0.004","90","","1276.85","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H25 F2 N O4 -","- C31 H25 F2 N O4 -","- C62 H50 F4 N2 O8 -","2","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.1011","0.0699","","","0.1645","0.1896","","","","","","1.245","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028418","7.2552","0.0015","5.7296","0.0011","14.708","0.003","90","","98.35","0.03","90","","604.9","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0584","0.0576","","","0.1474","0.1496","","","","","","1.058","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028420","8.535","0.001","5.571","0.001","13.141","0.001","90","","91.78","0.001","90","","624.53","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0733","0.0707","","","0.2167","0.223","","","","","","1.082","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028421","10.0993","0.0011","9.4276","0.0009","14.6656","0.0011","90","","90.076","0.006","90","","1396.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-ethoxy-1,2-oxaphosphinan-3-ol","","- C28 H36 B O6 P -","- C28 H36 B O6 P -","- C56 H72 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0412","0.0354","","","0.0873","0.0976","","","","","","1.09","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028422","11.0937","0.001","10.0847","0.0009","12.7293","0.0011","90","","105.853","0.007","90","","1369.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.1022","0.0669","","","0.1492","0.201","","","","","","1.137","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028423","9.9154","0.0007","9.5092","0.0006","14.515","0.0011","90","","91.09","0.006","90","","1368.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0681","0.0427","","","0.0982","0.1322","","","","","","1.142","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028424","10.7117","0.0004","7.4436","0.0002","13.429","0.0005","90","","99.092","0.002","90","","1057.29","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O5 S -","- C21 H24 F N O5 S -","- C42 H48 F2 N2 O10 S2 -","2","1","","Mari Fe Flores; Pilar García-García; Narciso M. Garrido; Isidro S. Marcos; Francisca Sanz-González; David Díez","Domino Elimination/Nucleophilic Addition in the Synthesis of Chiral Pyrrolidines","Journal of Organic Chemistry","2013","78","","7068","7075","10.1021/jo400873c","","","1.54178","CuKα","","0.034","0.0317","","","0.0722","0.0738","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028433","9.0559","0.0003","6.2328","0.0001","12.1773","0.0003","90","","103.658","0.0015","90","","667.9","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0326","0.0282","","0.0693","0.068","0.0693","","","","","","0.9277","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028436","6.2161","0.0001","11.6949","0.0002","9.3974","0.0002","90","","105.481","0.0013","90","","658.37","0.02","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.038","0.0295","","0.0677","0.0658","0.0677","","","","","","0.8683","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028447","8.526","0.005","7.988","0.005","13.822","0.005","90","0.005","102.748","0.005","90","0.005","918.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0452","0.0335","","","0.0734","0.078","","","","","","0.814","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028456","7.067","0.004","20.412","0.01","14.737","0.008","90","","98.1","0.005","90","","2104.6","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H74 O5 Si3 -","- C38 H74 O5 Si3 -","- C76 H148 O10 Si6 -","2","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0703","0.0471","","","0.0908","0.1001","","","","","","1.001","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028461","10.6441","0.0009","7.9916","0.0007","17.1445","0.0013","90","","106.912","0.002","90","","1395.3","0.2","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0787","0.0508","","","0.1149","0.1281","","","","","","1.03","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028480","7.1636","0.0001","29.2923","0.0002","8.4859","0.0001","90","","94.362","0.001","90","","1775.51","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H8 Br2 Cl2 N2 -","- C18 H8 Br2 Cl2 N2 -","- C72 H32 Br8 Cl8 N8 -","4","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0326","0.0325","","","0.0814","0.0815","","","","","","1.064","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028485","12.0501","0.0002","9.3407","0.0002","19.3246","0.0005","90","","98.772","0.002","90","","2149.66","0.08","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 I N O3 -","- C23 H24 I N O3 -","- C92 H96 I4 N4 O12 -","4","2","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71069","MoKα","","0.042","0.0309","","","0.0457","0.0473","","","","","","0.908","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028492","12.5942","0.0008","7.418","0.0005","12.6348","0.0013","90","","90.76","0.003","90","","1180.29","0.16","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N3 O4 S2 -","- C24 H27 N O4 S2 -","- C48 H54 N2 O8 S4 -","2","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0354","","","","0.1051","","","","","","1.087","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028494","5.8867","0.0012","17.738","0.004","9.807","0.002","90","","90.84","0.03","90","","1023.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C48 H54 N2 O6 -","2","1","","Hui Zhao; Atsushi Kato; Kasumi Sato; Yue-Mei Jia; Chu-Yi Yu","Total Synthesis and Glycosidase Inhibition of Broussonetine I and J2","Journal of Organic Chemistry","2013","78","","7896","7902","10.1021/jo4010553","","","0.71073","MoKα","","0.0641","0.0578","","","0.0908","0.0935","","","","","","1.134","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028504","9.5195","0.0017","8.2289","0.0014","11.0119","0.0019","90","","98.595","0.003","90","","852.9","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0448","0.0405","","","0.1021","0.1055","","","","","","1.072","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028505","7.8773","0.001","14.4868","0.0019","8.7034","0.0012","90","","105.377","0.002","90","","957.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C50 H40 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0318","0.03","","","0.0776","0.0791","","","","","","1.054","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028521","10.2274","0.001","12.2634","0.0012","17.1688","0.0017","90","","94.869","0.001","90","","2145.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H32 Cl4 N2 O4 -","- C46 H32 Cl4 N2 O4 -","- C92 H64 Cl8 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0441","0.0381","","","0.0993","0.1039","","","","","","1","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028526","9.546","0.0003","5.8393","0.0002","14.1047","0.0004","90","","96.805","0.002","90","","780.68","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Se-Mi Son; Hyeon-Kyu Lee","Dynamic Kinetic Resolution-Based Asymmetric Transfer Hydrogenation of 2-Benzoylmorpholinones and Its Use in Concise Stereoselective Synthesis of All Four Stereoisomers of the Antidepressant Reboxetine","Journal of Organic Chemistry","2013","78","","8396","8404","10.1021/jo401102d","","","0.71073","MoKα","","0.0363","0.0347","","","0.0912","0.0928","","","","","","1.067","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028528","8.3672","0.0007","8.7128","0.0007","12.731","0.0011","90","","98.037","0.001","90","","919","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O5 S -","- C18 H19 N3 O5 S -","- C36 H38 N6 O10 S2 -","2","1","","Bao-Dong Cui; Wen-Yong Han; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Enantioselective Synthesis of Quaternary 3-Aminooxindoles via Organocatalytic Asymmetric Michael Addition of 3-Monosubstituted 3-Aminooxindoles to Nitroolefins","Journal of Organic Chemistry","2013","78","","8833","8839","10.1021/jo401154b","","","0.71073","MoKα","","0.045","0.0357","","","0.0806","0.0844","","","","","","1.063","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028549","7.7674","0.0001","8.7329","0.0001","8.4874","0.0001","90","","97.962","0.001","90","","570.167","0.012","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0305","0.03","","","0.0804","0.0809","","","","","","1.037","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028550","7.7639","0.0004","8.7343","0.0005","8.4835","0.0004","90","","98.013","0.003","90","","569.67","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0383","0.0363","","","0.091","0.0925","","","","","","1.041","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028572","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Syntheses of Plectosphaeroic Acids B and C","Journal of Organic Chemistry","2013","78","","8766","8788","10.1021/jo4015479","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028592","5.9908","0.0001","21.9862","0.0006","13.158","0.0004","90","","94.8749","0.001","90","","1726.84","0.08","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H46 O8 -","- C41 H46 O8 -","- C82 H92 O16 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.065","0.049","","","0.086","0.094","","","","","","1.061","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028593","11.2106","0.0003","6.3133","0.0002","28.577","0.001","90","","96.8071","0.0012","90","","2008.3","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.081","0.057","","","0.093","0.103","","","","","","1.104","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028597","3.827","0.0004","19.9545","0.0012","8.9557","0.0006","90","","90.672","0.006","90","","683.86","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C34 H24 F2 N2 O6 -","2","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.0634","0.0404","","","0.0737","0.0843","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028602","7.5027","0.0002","20.0377","0.0006","8.6994","0.0003","90","","104.153","0.0005","90","","1268.14","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N5 O6 -","- C24 H35 N5 O6 -","- C48 H70 N10 O12 -","2","1","","Olga I. Shmatova; Valentine G. Nenajdenko","Synthesis of Tetrazole-Derived Organocatalysts via Azido-Ugi Reaction with Cyclic Ketimines","Journal of Organic Chemistry","2013","78","","9214","9222","10.1021/jo401428q","","","0.71073","MoKα","","0.0311","0.0289","","","0.0738","0.0755","","","","","","1.035","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028603","11.462","0.006","5.423","0.003","12.416","0.005","90","","101.315","0.013","90","","756.8","0.7","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br F3 O2 -","- C16 H16 Br F3 O2 -","- C32 H32 Br2 F6 O4 -","2","1","","Alyn T. Davies; James E. Taylor; James Douglas; Christopher J. Collett; Louis C. Morrill; Charlene Fallan; Alexandra M. Z. Slawin; Gwydion Churchill; Andrew D. Smith","Stereospecific Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Redox Synthesis of Trifluoromethyl Dihydropyranones and Mechanistic Insights","Journal of Organic Chemistry","2013","78","","9243","9257","10.1021/jo401433q","","","0.71075","MoKα","","","0.0456","","","","0.1091","","","","","","0.805","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028604","9.411","0.015","6.155","0.009","12.59","0.019","90","","104.26","0.03","90","","706.8","1.9","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 F N O S -","- C14 H20 F N O S -","- C28 H40 F2 N2 O2 S2 -","2","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.1352","0.0534","","","0.0749","0.0925","","","","","","0.796","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028613","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028623","6.0255","0.0003","16.0531","0.0009","11.7146","0.0006","90","","90.119","0.002","90","","1133.13","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Mei-Xin Zhao; Hong-Lei Bi; Hao Zhou; Hui Yang; Min Shi","Cinchona Alkaloid Squaramide Catalyzed Enantioselective Hydrazination/Cyclization Cascade Reaction of α-Isocyanoacetates and Azodicarboxylates: Synthesis of Optically Active 1,2,4-Triazolines","Journal of Organic Chemistry","2013","78","","9377","9382","10.1021/jo401585v","","","0.71073","MoKα","","0.0671","0.0577","","","0.152","0.1613","","","","","","1.051","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028632","16.1213","0.0019","9.1571","0.0011","16.935","0.002","90","","98.899","0.002","90","","2469.9","0.5","90","2","90","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0708","0.0695","","","0.185","0.1862","","","","","","1.211","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028633","9.6333","0.0011","35.622","0.004","10.5239","0.0012","90","","93.74","0.002","90","","3603.7","0.7","90","0.2","90","0.2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","","","- C59 H95 Cl9 N10 O13 -","- C59 H95 Cl9 N10 O13 -","- C118 H190 Cl18 N20 O26 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0385","0.0377","","","0.1017","0.1022","","","","","","1.028","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028634","16.235","0.002","9.2834","0.0012","17.084","0.002","90","","98.923","0.002","90","","2543.7","0.5","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0538","0.0475","","","0.1309","0.1347","","","","","","1.035","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028656","18.721","0.003","13.4029","0.0011","20.59","0.003","90","","115.365","0.017","90","","4668.3","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H40 Cl3 N5 O4 Zn -","- C53 H40 Cl3 N5 O4 Zn -","- C212 H160 Cl12 N20 O16 Zn4 -","4","2","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","0.71073","MoKα","","0.1872","0.0866","","","0.136","0.1661","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028657","8.3822","0.0002","10.6016","0.0002","12.8429","0.0003","90","","90.375","0.002","90","","1141.26","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 O P -","- C14 H13 O P -","- C56 H52 O4 P4 -","4","2","","Damien J. Carr; Jaya Satyanarayana Kudavalli; Katherine S. Dunne; Helge Müller-Bunz; Declan G. Gilheany","Synthesis of 2,3-Dihydro-1-phenylbenzo[b]phosphole (1-Phenylphosphindane) and Its Use as a Mechanistic Test in the Asymmetric Appel Reaction: Decisive Evidence against Involvement of Pseudorotation in the Stereoselecting Step","Journal of Organic Chemistry","2013","78","","10500","10505","10.1021/jo401318g","","","0.71073","MoKα","","0.0344","0.0314","","","0.068","0.0704","","","","","","1.062","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028661","9.5226","0.0007","7.2796","0.0006","14.9337","0.0011","90","","98.656","0.003","90","","1023.42","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C50 H46 N2 O10 -","2","1","","Zhijie Mao; Aijun Lin; Yan Shi; Haibin Mao; Weipeng Li; Yixiang Cheng; Chengjian Zhu","Chiral Tertiary Amine Thiourea-Catalyzed Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of Chromone Heterodienes Using 3-Vinylindoles as Dienophiles","Journal of Organic Chemistry","2013","78","","10233","10239","10.1021/jo401592w","","","1.54178","CuKα","","0.0321","0.0316","","","0.0875","0.0881","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028664","10.0155","0.0009","12.2702","0.0011","17.6705","0.0015","90","","98.496","0","90","","2147.7","0.3","293","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-diphenyl-4-(phenylethynyl)-3,4-dihydroquinazoline.","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0311","0.0291","","","0.0752","0.0773","","","","","","1.101","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028684","6.965","0.0003","8.1765","0.0003","8.7646","0.0003","90","","99.001","0.001","90","","492.99","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Br2 O3 -","- C9 H8 Br2 O3 -","- C18 H16 Br4 O6 -","2","1","","Michael D. VanHeyst; E. Zachary Oblak; Dennis L. Wright","Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products","Journal of Organic Chemistry","2013","78","","10555","10559","10.1021/jo4017502","","","1.54178","CuKα","","0.044","0.044","","","0.1144","0.1144","","","","","","1.16","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028707","13.1405","0.0005","9.1003","0.0003","14.1366","0.0004","90","","97.09","0.003","90","","1677.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 Br O7 -","- C14 H21 Br O7 -","- C56 H84 Br4 O28 -","4","2","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0617","0.0397","","","0.0757","0.0788","","","","","","0.869","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028708","10.7518","0.0003","17.896","0.0006","16.0933","0.0004","90","","90.165","0.002","90","","3096.57","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","3","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0436","0.0289","","","0.0532","0.0554","","","","","","0.878","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028710","8.4976","0.0005","5.2988","0.0003","11.0339","0.0007","90","","93.476","0.005","90","","495.91","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0464","0.033","","","0.0595","0.062","","","","","","0.957","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028711","14.6591","0.0006","5.2307","0.0002","18.5204","0.0008","90","","105.576","0.002","90","","1367.94","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C58 H76 O16 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0766","0.0484","","","0.0945","0.1048","","","","","","1.055","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028714","10.6997","0.0006","9.6647","0.0007","10.9106","0.0006","90","","91.772","0.005","90","","1127.72","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H28 O5 -","- C27 H28 O5 -","- C54 H56 O10 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0864","0.04","","","0.0639","0.07","","","","","","0.782","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028733","6.761","0.009","9.463","0.013","10.518","0.014","90","","105.293","0.016","90","","649.1","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.1581","0.0536","","","0.0874","0.1083","","","","","","0.982","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028736","6.1502","0.0004","8.0705","0.0005","17.2765","0.0011","90","","94.719","0.004","90","","854.62","0.09","296","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3-benzyl-2-(phenylethynyl)benzofuran","3-benzyl-2-(phenylethynyl)benzofuran","","- C23 H15 O -","- C23 H15 O -","- C46 H30 O2 -","2","1","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.0773","0.0461","","","0.1127","0.1407","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028742","20.601","0.003","8.4696","0.0013","31.301","0.005","90","","91.992","0.004","90","","5458.2","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H37 Br N4 Ni O3 -","- C42 H37 Br N4 Ni O3 -","- C252 H222 Br6 N24 Ni6 O18 -","6","3","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1891","0.0749","","","0.1367","0.1854","","","","","","0.984","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028743","11.2067","0.0014","7.1568","0.0009","22.836","0.003","90","","94.02","0.002","90","","1827","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O3 S -","- C15 H22 Br N O3 S -","- C60 H88 Br4 N4 O12 S4 -","4","2","","Wei Huang; Jian-Liang Ye; Wei Zheng; Han-Qing Dong; Bang-Guo Wei","Radical Migration-Addition of N-tert-Butanesulfinyl Imines with Organozinc Reagents","Journal of Organic Chemistry","2013","78","","11229","11237","10.1021/jo401640c","","","0.71073","MoKα","","0.1109","0.0637","","","0.1373","0.1504","","","","","","0.827","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028750","10.02685","0.00016","10.35683","0.00016","23.9983","0.0005","90","","97.9548","0.0018","90","","2468.16","0.08","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N3 O6 P -","- C19 H36 N3 O6 P -","- C76 H144 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0585","0.0529","","","0.1452","0.152","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028752","16.1499","0.0003","6.10696","0.00015","25.013","0.0007","90","","98.553","0.002","90","","2439.52","0.1","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C92 H112 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0503","0.0429","","","0.107","0.112","","","","","","1.061","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028753","11.3068","0.0003","8.2583","0.0003","13.1949","0.0004","90","","101.098","0.003","90","","1209.03","0.07","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C46 H56 N6 O12 P2 -","2","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.037","0.0349","","","0.0915","0.0945","","","","","","1.052","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028771","8.6341","0.0003","5.2309","0.0002","15.231","0.0006","90","","95.623","0.002","90","","684.58","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C30 H40 N4 O2 -","2","1","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0276","0.0275","","","0.0681","0.0683","","","","","","1.111","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028793","9.3544","0.0002","28.805","0.0007","11.3634","0.0003","90","","92.382","0.002","90","","3059.26","0.13","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 -","- C34 H39.5 O6 -","- C136 H158 O24 -","4","2","","Xionghao Lin; Shuai Ji; Xue Qiao; Hongbo Hu; Ni Chen; Yinhui Dong; Yun Huang; Dean Guo; Pengfei Tu; Min Ye","Density Functional Theory Calculations in Stereochemical Determination of Terpecurcumins J-W, Cytotoxic Terpene-Conjugated Curcuminoids from Curcuma longa L.","Journal of Organic Chemistry","2013","78","","11835","11848","10.1021/jo401859u","","","1.5418","CuKα","","0.0605","0.0581","","","0.1624","0.1663","","","","","","1.037","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028805","5.07","0.006","12.757","0.015","33.28","0.04","90","","89.95","0.016","90","","2152","4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl2 N2 O -","- C26 H20 Cl2 N2 O -","- C104 H80 Cl8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1723","0.0783","","","0.2297","0.3104","","","","","","1.012","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028830","11.493","0.002","20.119","0.004","14.627","0.003","90","","90.154","0.004","90","","3382.2","1.1","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C54 H101 N9 O13 -","- C54 H101 N9 O13 -","- C108 H202 N18 O26 -","2","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.121","0.1138","","","0.2691","0.2709","","","","","","2.182","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028848","8.8277","0.0003","7.6317","0.0002","14.3944","0.0004","90","","98.519","0.003","90","","959.06","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26.64 N O2 -","- C22 H26.6439 N O2 -","- C44 H53.2878 N2 O4 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0397","0.0368","","0.097","0.0937","0.097","","","","","","0.9969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028849","10.6664","0.0012","7.2589","0.0009","11.7104","0.0014","90","","98.315","0.006","90","","897.16","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.0798","0.0658","","0.1572","0.1478","0.1572","","","","","","0.9178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028850","9.6934","0.0002","10.0175","0.0002","12.9042","0.0003","90","","108.306","0.001","90","","1189.63","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C50 H70 N2 O8 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.052","0.0416","","0.1074","0.0958","0.1074","","","","","","0.9134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028851","10.6741","0.0008","12.3578","0.0009","15.4377","0.0011","90","","98.518","0.003","90","","2013.9","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","Phomoxanthone A","Phomoxanthone A hemi(ethyl acetate) hemi-hydrate","","- C38 H38 O16 -","- C38 H38 O16 -","- C76 H76 O32 -","2","1","","David Rönsberg; Abdessamad Debbab; Attila Mándi; Vera Vasylyeva; Philip Böhler; Björn Stork; Laura Engelke; Alexandra Hamacher; Richard Sawadogo; Marc Diederich; Victor Wray; WenHan Lin; Matthias U. Kassack; Christoph Janiak; Stefanie Scheu; Sebastian Wesselborg; Tibor Kurtán; Amal H. Aly; Peter Proksch","Pro-Apoptotic and Immunostimulatory Tetrahydroxanthone Dimers from the Endophytic Fungus Phomopsis longicolla","Journal of Organic Chemistry","2013","78","","12409","12425","10.1021/jo402066b","","","1.54178","CuKα","","0.047","0.0461","","","0.1263","0.1271","","","","","","1.079","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028881","10.244","0.009","8.151","0.003","10.261","0.01","90","","117.66","0.04","90","","758.9","1.1","293","2","298","2","","","","","","","Synthesis","3","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.0506","0.04","","","0.0953","0.1032","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028883","12.3598","0.0007","8.2062","0.0006","14.7005","0.0009","90","","108.807","0.004","90","","1411.42","0.16","99.97","","99.97","","","","","","","","","6","P 1 21 1","P 2yb","4","","(3R,5R)-3-butyl-8-(diethoxyphosphorylmethyl)-3-ethyl-7-methoxy-5- phenyl-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1-dioxide","","- C27 H40 N O6 P S -","- C27 H40 N O6 P S -","- C54 H80 N2 O12 P2 S2 -","2","1","","David J. Cowan; Jon L. Collins; Mark B. Mitchell; John A. Ray; Peter W. Sutton; Amy A. Sarjeant; Eric E. Boros","Enzymatic- and Iridium-Catalyzed Asymmetric Synthesis of a Benzothiazepinylphosphonate Bile Acid Transporter Inhibitor","Journal of Organic Chemistry","2013","78","","12726","12734","10.1021/jo402311e","","","1.54184","CuKα","","0.0725","0.0559","","","0.1318","0.1419","","","","","","1.035","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028889","10.6695","0.0008","18.7483","0.0014","23.9407","0.0018","90","","98.397","0.002","90","","4737.6","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C156 H189 Cl23 N16 O48 P4 Si4 -","4","2","","Le Clézio, Ingrid; Gornitzka, Heinz; Escudier, Jean-Marc; Vigroux, Alain","Constrained Nucleic Acids (CNA). Part 2. Synthesis of Conformationally Restricted Dinucleotide Units Featuring Noncanonical α/β/γ or δ/ε/ζ Torsion Angle Combinations","The Journal of Organic Chemistry","2005","70","5","1620","1629","10.1021/jo048136t","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028901","13.1564","0.0002","17.7285","0.0003","35.5821","0.0006","90","","92.513","0.0007","90","","8291.3","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H99 N8 O54.5 -","- C62 H54 N8 O54.5 -","- C248 H216 N32 O218 -","4","2","","Nishimura, Dai; Oshikiri, Tomoya; Takashima, Yoshinori; Hashidzume, Akihito; Yamaguchi, Hiroyasu; Harada, Akira","Relative Rotational Motion between α-Cyclodextrin Derivatives and a Stiff Axle Molecule","The Journal of Organic Chemistry","2008","73","7","2496","2502","10.1021/jo702237q","","","1.54187","CuKα","","","0.101","","","","0.3037","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028911","9.2974","0.0004","7.5545","0.0002","10.728","0.0004","90","","102.224","0.004","90","","736.42","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C30 H40 N4 O8 -","2","1","","Morgan, Ian R.; Yazici, Arife; Pyne, Stephen G.; Skelton, Brian W.","Diastereoselective Ritter Reactions of Chiral CyclicN-Acyliminium Ions: Synthesis of Pyrido- and Pyrrolo[2,3-d]oxazoles and 4-Hydroxy-5-N-acylaminopyrrolidines and 5-Hydroxy-6-N-acylaminopiperidines","The Journal of Organic Chemistry","2008","73","7","2943","2946","10.1021/jo800007g","","","0.71073","MoKα","","0.0569","0.0393","","","0.0753","0.0801","","","","","","0.968","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028913","7.2071","0.0018","15.029","0.003","13.526","0.004","90","","104.71","0.02","90","","1417.1","0.6","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1,4-Dimethyl-5-benzyl-2,3-piperazinedithone","","- C13 H16 N2 S2 -","- C13 H16 N2 S2 -","- C52 H64 N8 S8 -","4","2","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0625","0.0438","","","0.0784","0.0849","","","","","","0.953","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028918","14.4997","0.0015","5.9482","0.0007","16.7914","0.0017","90","","94.631","0.009","90","","1443.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S,6S)-5,6-Diphenyl-2,3- piperazinedione bis(pentafluorobenzoic acid) monohydrate","","- C30 H18 F10 N2 O7 -","- C30 H18 F10 N2 O7 -","- C60 H36 F20 N4 O14 -","2","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.06","0.0297","","","0.0526","0.0633","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028934","7.8658","0.0007","8.6374","0.0008","15.3824","0.0016","90","","99.533","0.005","90","","1030.65","0.17","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0387","0.0359","","","0.0812","0.0826","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028943","7.1324","0.0009","7.417","0.0009","18.265","0.002","90","","101.203","0.006","90","","947.8","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N3 O3 -","- C21 H18 Cl N3 O3 -","- C42 H36 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0614","0.049","","","0.1125","0.1187","","","","","","1.077","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028948","9.7176","0.0007","11.7376","0.0009","12.5854","0.0009","90","","103.468","0.003","90","","1396.03","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 O2 S Sn -","- C33 H30 O2 S Sn -","- C66 H60 O4 S2 Sn2 -","2","1","","García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia","Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes","The Journal of Organic Chemistry","2009","74","5","2145","2152","10.1021/jo802725r","","","0.71073","MoKα","","0.0237","0.0206","","","0.046","0.0469","","","","","","1.048","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028951","7.7011","0.0005","7.6079","0.0005","38.271","0.003","90","","93.031","0.001","90","","2239.1","0.3","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C108 H100 N12 O16 -","4","2","","Kumpaty, Hephzibah J.; Van Linn, Michael L.; Kabir, M. Shahjahan; Försterling, F. Holger; Deschamps, Jeffrey R.; Cook, James M.","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","The Journal of Organic Chemistry","2009","74","7","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0386","0.0342","","","0.0802","0.0826","","","","","","1.014","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028978","6.9874","0.0002","15.0838","0.0006","10.7658","0.0004","90","","92.493","0.003","90","","1133.6","0.07","100.35","0.1","100.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 B2 Br2 O4 -","- C20 H30 B2 Br2 O4 -","- C40 H60 B4 Br4 O8 -","2","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0356","0.0311","","","0.0635","0.0665","","","","","","1.031","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028983","5.84","0.0001","9.7694","0.0001","17.7381","0.0002","90","","90.395","0.001","90","","1011.99","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Liu, Jia; He, Xiu-Feng; Wang, Gai-Hong; Merino, Emilio F.; Yang, Sheng-Ping; Zhu, Rong-Xiu; Gan, Li-She; Zhang, Hua; Cassera, Maria B.; Wang, He-Yao; Kingston, David G. I.; Yue, Jian-Min","Aphadilactones A-D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant.","The Journal of organic chemistry","2014","79","2","599","607","10.1021/jo402340h","","","1.54178","CuKα","","0.0438","0.0434","","","0.1291","0.1303","","","","","","1.032","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028998","10.2041","0.0014","9.0692","0.0012","10.6334","0.0015","90","","118.081","0.003","90","","868.2","0.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H29 N O S -","- C16 H29 N O S -","- C32 H58 N2 O2 S2 -","2","1","","Bosque, Irene; Bagdatli, Emine; Foubelo, Francisco; Gonzalez-Gomez, Jose C","Regio- and stereoselective aminopentadienylation of carbonyl compounds.","The Journal of organic chemistry","2014","79","4","1796","1804","10.1021/jo402854z","","","0.71073","MoKα","","0.0618","0.0454","","","0.0922","0.0995","","","","","","1.004","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029004","12.027","0.001","6.5477","0.0005","16.2446","0.0013","90","","106.17","0.004","90","","1228.64","0.17","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O3 S2 Sn -","- C20 H34 N2 O3 S2 Sn -","- C40 H68 N4 O6 S4 Sn2 -","2","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0634","0.0376","","","0.0643","0.0703","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029015","10.7714","0.0011","7.8126","0.0008","11.5206","0.0012","90","","106.574","0.002","90","","929.21","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C44 H32 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0387","0.0346","","","0.0943","0.0977","","","","","","1.067","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029028","8.056","0.003","14.504","0.005","9.639","0.004","90","","102.066","0.006","90","","1101.4","0.7","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","jg05oct12","","","- C21 H36 Li N O3 -","- C21 H36 Li N O3 -","- C42 H72 Li2 N2 O6 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0781","0.0726","","","0.1927","0.2017","","","","","","1.005","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029029","12.898","0.004","14.874","0.006","17.747","0.005","90","","103.175","0.012","90","","3315.1","1.9","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H52 Li2 N2 O3 -","- C32 H52 Li2 N2 O3 -","- C128 H208 Li8 N8 O12 -","4","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1037","0.083","","","0.2067","0.2254","","","","","","1.056","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4029057","18.837","0.002","5.7769","0.0006","19.372","0.002","90","","101.358","0.008","90","","2066.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H60 N4 O4 -","- C50 H60 N4 O4 -","- C100 H120 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0898","0.0537","","","0.1054","0.1203","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029061","6.1138","0.0014","11.409","0.003","11.578","0.003","90","","95.228","0.003","90","","804.2","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Pan, Xuejing; Huang, Guobao; Long, Yuhua; Zuo, Xiongjun; Xu, Xuan; Gu, Fenglong; Yang, Dingqiao","Platinum(II)-catalyzed asymmetric ring-opening addition of arylboronic acids to oxabenzonorbornadienes.","The Journal of organic chemistry","2014","79","1","187","196","10.1021/jo402386k","","","0.71073","MoKα","","0.049","0.0372","","","0.0921","0.0995","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029077","7.1435","0.0008","15.1987","0.0018","8.8775","0.0011","90","","102.451","0.002","90","","941.18","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0432","0.0393","","","0.0962","0.0992","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029087","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029088","16.6637","0.0006","9.1966","0.0005","16.8975","0.0007","90","","109.839","0.003","90","","2435.84","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N3 P Se -","- C28 H30 N3 P Se -","- C112 H120 N12 P4 Se4 -","4","2","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","1.54178","CuKα","","0.0618","0.052","","","0.1265","0.1359","","","","","","1.027","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029146","8.5713","0.0006","16.2981","0.0009","10.6625","0.0008","90","","104.402","0.008","90","","1442.7","0.18","170","2","170","2","","","100","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H44 Br2 N4 O3 -","- C28 H44 Br2 N4 O3 -","- C56 H88 Br4 N8 O6 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0473","0.0355","","","0.059","0.0616","","","","","","0.905","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029170","6.5512","0.0005","10.8875","0.0012","9.1118","0.0008","90","","105.048","0.005","90","","627.62","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0579","0.0421","","","0.0968","0.1035","","","","","","1.088","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029171","5.8457","0.0004","7.8597","0.0005","13.8602","0.0009","90","","96.64","0.004","90","","632.54","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0604","0.0436","","","0.1124","0.1263","","","","","","0.969","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029172","5.761","0.0002","15.919","0.0008","6.736","0.0003","90","","97.77","0.002","90","","612.08","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.035","0.0315","","","0.0721","0.0749","","","","","","1.08","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029179","10.2658","0.0002","14.8585","0.0003","17.0388","0.0004","90","","100.905","0.0013","90","","2552.07","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl F6 N2 O P -","- C24 H31 Cl F6 N2 O P -","- C96 H124 Cl4 F24 N8 O4 P4 -","4","2","","Takeda, Momotaro; Takatsu, Keishi; Shintani, Ryo; Hayashi, Tamio","Synthesis of quaternary carbon stereocenters by copper-catalyzed asymmetric allylic substitution of allyl phosphates with arylboronates.","The Journal of organic chemistry","2014","79","6","2354","2367","10.1021/jo500068p","","","1.54187","CuKα","","0.0966","0.0689","","","0.1706","0.1901","","","","","","1.095","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029241","10.2259","0.0006","4.7596","0.0003","13.9296","0.0008","90","","108.834","0.003","90","","641.67","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0483","0.0395","","0.0909","0.0865","0.0909","","","","","","1.0209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029245","8.914","0.0001","8.3961","0.0001","14.3759","0.0002","90","","91.907","0.001","90","","1075.34","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","VRT-1205044","","- C21 H23 N5 O5 -","- C21 H23 N5 O5 -","- C42 H46 N10 O10 -","2","1","","Bligh, Cavan M; Anzalone, Luigi; Jung, Young Chun; Zhang, Yuegang; Nugent, William A","Preparation of both c5' epimers of 5'-C-methyladenosine: reagent control trumps substrate control.","The Journal of organic chemistry","2014","79","7","3238","3243","10.1021/jo500089t","","","1.54178","CuKα","","0.0303","0.0301","","","0.0705","0.0708","","","","","","1.141","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029248","6.5888","0.0013","22.383","0.005","8.77","0.0018","90","","99.58","0.03","90","","1275.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.1042","0.0428","","","0.0761","0.0956","","","","","","0.993","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029249","6.2959","0.0009","21.648","0.003","9.8033","0.0014","90","","107.774","0.002","90","","1272.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.0603","0.0386","","","0.0907","0.1011","","","","","","1.003","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029260","6.7761","0.0005","11.2906","0.0007","11.3537","0.0008","90","","102.15","0.007","90","","849.17","0.1","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C40 H36 O4 S2 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0429","0.0376","","","0.0938","0.0991","","","","","","1.051","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029261","4.88121","0.00019","15.8851","0.0006","10.0737","0.0004","90","","90.732","0.004","90","","781.04","0.05","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C32 H34 N2 O2 S4 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","0.7107","MoKα","","0.05","0.0389","","","0.0827","0.0891","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029267","7.6984","0.0003","9.2444","0.0003","10.9871","0.0005","90","","110.048","0.0014","90","","734.54","0.05","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O2 S2 -","- C13 H21 N O2 S2 -","- C26 H42 N2 O4 S4 -","2","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0387","0.0334","","","0.0873","0.0912","","","","","","1.005","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029270","5.7765","0.0002","10.9416","0.0004","14.4434","0.0006","90","","93.134","0.002","90","","911.52","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O5 -","- C17 H31 N O5 -","- C34 H62 N2 O10 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0478","0.0414","","","0.0886","0.0923","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029271","8.5091","0.0019","5.3731","0.0011","16.347","0.004","90","","92.714","0.007","90","","746.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0443","0.0386","","","0.0977","0.1031","","","","","","1.044","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029272","8.9941","0.0007","7.718","0.0005","10.8751","0.0009","90","","101.498","0.003","90","","739.76","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0401","0.036","","","0.0841","0.0862","","","","","","1.102","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029274","9.4518","0.0006","9.6464","0.0006","10.9137","0.0007","90","","99.425","0.003","90","","981.63","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 O5 P -","- C21 H25 O5 P -","- C42 H50 O10 P2 -","2","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","x-ray","0.56085","AgKα","","0.0485","0.0409","","","0.0947","0.1","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029277","6.1224","0.0011","12.237","0.002","16.495","0.003","90","","99.471","0.004","90","","1219","0.4","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O6 -","- C30 H27 N O6 -","- C60 H54 N2 O12 -","2","1","","Chaplin, Jason H; Jackson, Kristal; White, Jonathan M; Flynn, Bernard L","Convergent Access to Polycyclic Cyclopentanoids from α,β-Unsaturated Acid Chlorides and Alkynes through a Reductive Coupling, Nazarov Cyclization Sequence.","The Journal of organic chemistry","2014","79","8","3659","3664","10.1021/jo500040b","","","0.71073","MoKα","","0.0411","0.0385","","","0.0958","0.0976","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029278","7.3446","0.0011","10.3043","0.0016","9.2757","0.0014","90","","101.418","0.003","90","","688.1","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C30 H28 N8 O2 -","2","1","","Xiong, Yang; Zhang, Xuxue; Huang, Tao; Cao, Song","Synthesis of N-(α-Fluorovinyl)azoles by the Reaction of Difluoroalkenes with Azoles.","The Journal of organic chemistry","2014","79","14","6395","6402","10.1021/jo5005845","","","0.71073","MoKα","","0.0945","0.0738","","","0.2354","0.3327","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029280","9.144","0.0005","10.9927","0.0007","9.6418","0.0007","90","","103.148","0.004","90","","943.76","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","1","","Selim, Khalid B; Martel, Arnaud; Laurent, Mathieu Y; Lhoste, Jérôme; Py, Sandrine; Dujardin, Gilles","Enantioselective Ruthenium-Catalyzed 1,3-Dipolar Cycloadditions between C-Carboalkoxy Ketonitrones and Methacrolein: Solvent Effect on Reaction Selectivity and Its Rational.","The Journal of organic chemistry","2014","79","8","3414","3426","10.1021/jo5001737","","","0.71073","MoKα","","0.1012","0.0517","","","0.1026","0.1189","","","","","","1.011","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029295","10.545","0.005","9.535","0.004","10.077","0.004","90","","115.62","0.03","90","","913.6","0.7","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 S Si -","- C17 H23 N O2 S Si -","- C34 H46 N2 O4 S2 Si2 -","2","1","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","1.54178","CuKα","","0.0478","0.0449","","","0.124","0.1269","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029314","12.8822","0.0017","9.5928","0.0013","22.444","0.003","90","","103.587","0.002","90","","2695.9","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C96 H112 N16 O56 -","8","4","","Pandey, Anil K.; Yap, Glenn P. A.; Zondlo, Neal J.","(2S,4R)-4-Hydroxyproline(4-nitrobenzoate): Strong Induction of Stereoelectronic Effects via a Readily Synthesized Proline Derivative. Crystallographic Observation of a Correlation between Torsion Angle and Bond Length in a Hyperconjugative Interaction.","The Journal of organic chemistry","2014","79","9","4174","4179","10.1021/jo500367d","","","0.71073","MoKα","","0.0712","0.0437","","","0.0906","0.1039","","","","","","1.011","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029315","12.221","0.002","6.0654","0.0011","13.752","0.002","90","","96.378","0.003","90","","1013.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H27 F2 N O6 S -","- C14 H27 F2 N O6 S -","- C28 H54 F4 N2 O12 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","x-ray","0.71073","MoKα","","0.0524","0.0497","","","0.136","0.1397","","","","","","1.078","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029316","5.742","0.004","17.689","0.011","6.193","0.004","90","","100.655","0.014","90","","618.2","0.7","100","2","100","2","","","","","","","Clement Fontenelle","6","P 1 21 1","P 2yb","4","","","","- C9 H17 F2 N O3 S -","- C9 H17 F2 N O3 S -","- C18 H34 F4 N2 O6 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0246","0.0244","","","0.0659","0.0662","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029349","13.9947","0.0011","5.8914","0.0004","15.0886","0.0011","90","","97.064","0.005","90","","1234.59","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O6 S -","- C26 H24 Cl N O6 S -","- C52 H48 Cl2 N2 O12 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0676","0.0446","","","0.0815","0.0886","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029351","10.069","0.005","5.823","0.003","17.107","0.008","90","","106.319","0.017","90","","962.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N O4 S -","- C18 H18 Cl N O4 S -","- C36 H36 Cl2 N2 O8 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0665","0.0425","","","0.072","0.0775","","","","","","1.179","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029363","9.038","0.003","12.131","0.005","9.119","0.004","90","","113.364","0.006","90","","917.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl N3 O -","- C22 H16 Cl N3 O -","- C44 H32 Cl2 N6 O2 -","2","1","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.0716","0.0694","","","0.2078","0.2093","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029366","9.6099","0.0004","14.0444","0.0006","14.4849","0.0005","90","","98.63","0.003","90","","1932.82","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 N8 O10 -","- C30 H58 N8 O10 -","- C60 H116 N16 O20 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0408","0.038","","","0.1021","0.1039","","","","","","1.065","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029368","16.7586","0.0003","11.7537","0.0002","17.0863","0.0003","90","","94.951","0.001","90","","3353.03","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 N7 O9 -","- C26 H48 N7 O9 -","- C104 H192 N28 O36 -","4","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.061","0.0522","","","0.1409","0.147","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029370","11.5859","0.0005","9.585","0.0004","16.5938","0.0008","90","","108.615","0.002","90","","1746.35","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H52 N8 O8 -","- C27 H52 N8 O8 -","- C54 H104 N16 O16 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0476","0.0447","","","0.1186","0.1204","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029418","11.7883","0.0006","17.9576","0.0009","14.1225","0.0007","90","","90.594","0.004","90","","2989.4","0.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl2 N3 O3 -","- C33 H33 Cl2 N3 O3 -","- C132 H132 Cl8 N12 O12 -","4","2","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","1.54178","CuKα","","0.0797","0.0618","","","0.1624","0.1786","","","","","","1.026","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029425","9.1343","0.0007","6.8955","0.0005","20.2243","0.0015","90","","91.191","0.002","90","","1273.56","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","C-2 deoxy Glycoside","Bboc-protected iodo sugar","","- C20 H29 I N O11 -","- C20 H29 I N O11 -","- C40 H58 I2 N2 O22 -","2","1","","Islam, Maidul; Tirukoti, Nishanth D.; Nandi, Shyamapada; Hotha, Srinivas","Hypervalent iodine mediated synthesis of C-2 deoxy glycosides and amino Acid glycoconjugates.","The Journal of organic chemistry","2014","79","10","4470","4476","10.1021/jo500465m","","","1.54178","CuKα","","0.0328","0.0326","","","0.0827","0.083","","","","","","1.062","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029427","13.685","0.0007","20.3904","0.0014","17.52","0.001","90","","105.773","0.004","90","","4704.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H132 Cl6 N12 O39 -","- C66 H132 Cl6 N12 O39 -","- C132 H264 Cl12 N24 O78 -","2","1","","Faggi, Enrico; Moure, Alejandra; Bolte, Michael; Vicent, Cristian; Luis, Santiago V.; Alfonso, Ignacio","Pseudopeptidic cages as receptors for N-protected dipeptides.","The Journal of organic chemistry","2014","79","10","4590","4601","10.1021/jo500629d","","","0.71073","MoKα","","0.1278","0.1158","","","0.32","0.3353","","","","","","1.265","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029451","7.321","0.006","11.808","0.009","9.419","0.008","90","","110.277","0.01","90","","763.8","1.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 -","- C14 H23 N O5 -","- C28 H46 N2 O10 -","2","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0509","0.0371","","","0.0765","0.0803","","","","","","0.951","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029461","6.547","0.003","14.435","0.007","7.735","0.004","90","","108.659","0.018","90","","692.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 Cl2 O P -","- C14 H19 Cl2 O P -","- C28 H38 Cl4 O2 P2 -","2","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0457","0.037","","","0.0831","0.0889","","","","","","1.092","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029464","7.1772","0.0005","7.3897","0.0005","20.5531","0.0013","90","","91.23","0.003","90","","1089.83","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C36 H52 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0619","0.0585","","","0.1523","0.1561","","","","","","1.042","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029466","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029469","7.7299","0.0005","8.0026","0.0006","21.4995","0.0016","90","","91.981","0.003","90","","1329.15","0.16","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","2","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0218","0.0215","","","0.0575","0.058","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029470","7.6048","0.0005","7.3949","0.0005","13.9958","0.0011","90","","94.525","0.003","90","","784.62","0.1","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029471","7.3131","0.0002","12.6022","0.0004","28.2003","0.0009","90","","95.198","0.002","90","","2588.28","0.14","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C88 H112 N16 O32 S8 -","8","4","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0371","","","0.0673","0.0734","","","","","","1.01","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029472","9.956","0.0004","7.927","0.0003","14.0034","0.0006","90","","96.822","0.002","90","","1097.34","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0233","0.0225","","","0.062","0.0628","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029480","10.379","0.002","33.918","0.007","19.627","0.004","90","","99.06","0.03","90","","6823","2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H103 N18 O11 -","- C55 H107.5 N18 O11 -","- C220 H430 N72 O44 -","4","2","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0541","0.0517","","","0.1359","0.1384","","","","","","1.016","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029511","7.2917","0.0012","12.21","0.002","9.926","0.0017","90","","107.842","0.008","90","","841.2","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0434","0.0364","","","0.0843","0.0887","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029536","9.336","0.0007","10.8109","0.0008","13.002","0.0009","90","","104.314","0.003","90","","1271.56","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 B N2 O6 -","- C26 H31 B N2 O6 -","- C52 H62 B2 N4 O12 -","2","1","","Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.","Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.","The Journal of organic chemistry","2008","73","7","2576","2591","10.1021/jo702368t","","","1.54178","CuKα","","0.022","0.0215","","","0.056","0.0564","","","","","","0.973","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029538","9.3437","0.0008","10.8094","0.0009","13.0215","0.0011","90","","104.564","0.001","90","","1272.91","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 B N2 O6 -","- C26 H31 B N2 O6 -","- C52 H62 B2 N4 O12 -","2","1","","Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.","Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.","The Journal of organic chemistry","2008","73","7","2576","2591","10.1021/jo702368t","","","0.71073","MoKα","","0.0425","0.0384","","","0.1012","0.1041","","","","","","1.067","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029563","8.2207","0.0007","10.1241","0.0009","14.7603","0.0013","90","","100.2","0.002","90","","1209.04","0.18","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 S -","- C25 H38 O3 S -","- C50 H76 O6 S2 -","2","1","","Belani, Jitendra D.; Rychnovsky, Scott D.","A concise synthesis of ent-Cholesterol.","The Journal of organic chemistry","2008","73","7","2768","2773","10.1021/jo702694g","","","0.71073","MoKα","","0.0339","0.0299","","","0.0747","0.0772","","","","","","1.037","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029589","16.973","0.006","6.849","0.002","18.923","0.007","90","","105.83","0.03","90","","2116.3","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N6 O6 -","- C18 H26 N6 O6 -","- C72 H104 N24 O24 -","4","2","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.2575","0.0666","","","0.1296","0.2207","","","","","","0.933","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029591","12.754","0.0004","6.03911","0.00017","19.9264","0.0007","90","","95.38","0.0015","90","","1528.03","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H56 O5 -","- C31 H56 O5 -","- C62 H112 O10 -","2","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","1.54186","CuKα","","0.0844","0.0564","","","0.1452","0.1772","","","","","","1.021","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029600","10.603","0.002","14.746","0.003","10.89","0.002","90","","92.786","0.006","90","","1700.7","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H32 N2 O8 S -","- C40 H32 N2 O8 S -","- C80 H64 N4 O16 S2 -","2","1","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.1217","0.0519","","","0.0778","0.0976","","","","","","0.986","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4029604","9.8867","0.0005","5.6677","0.0003","11.9084","0.0006","90","","98.44","0.005","90","","660.06","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 I O2 -","- C15 H11 I O2 -","- C30 H22 I2 O4 -","2","1","","Kong, Wei; Che, Chao; Wu, Jialin; Ma, Liai; Zhu, Gangguo","Pd-Catalyzed Regio- and Stereoselective Addition of Boronic Acids to Silylacetylenes: A Stereodivergent Assembly of β,β-Disubstituted Alkenylsilanes and Alkenyl Halides.","The Journal of organic chemistry","2014","79","12","5799","5805","10.1021/jo500925p","","","0.71073","MoKα","","0.0513","0.0409","","","0.0776","0.0851","","","","","","1.005","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029621","11.9777","0.0003","19.4202","0.0004","19.8808","0.0006","90","","92.996","0.0007","90","","4618.1","0.2","213.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C51 H72 O6 -","- C51 H72 O6 -","- C204 H288 O24 -","4","2","","Mori, Tadashi; Grimme, Stefan; Inoue, Yoshihisa","A combined experimental and theoretical study on the conformation of multiarmed chiral aryl ethers.","The Journal of organic chemistry","2007","72","18","6998","7010","10.1021/jo071216n","","","0.7107","MoKα","","","0.076","","","","0.09","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029628","11.3992","0.0007","9.8228","0.0004","19.0001","0.0012","90","","94.297","0.002","90","","2121.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N10 O11 -","- C37 H45 N10 O11 -","- C74 H90 N20 O22 -","2","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0801","0.0534","","","0.1356","0.1504","","","","","","1.018","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029682","10.4494","0.0013","6.9551","0.0009","16.365","0.002","90","","98.175","0.004","90","","1177.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O6 -","- C26 H24 N4 O6 -","- C52 H48 N8 O12 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1448","0.0547","","","0.0909","0.1334","","","","","","1.092","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029683","5.9164","0.0009","7.5954","0.0011","20.95","0.003","90","","97.406","0.004","90","","933.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O6 Se -","- C19 H22 O6 Se -","- C38 H44 O12 Se2 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1468","0.0938","","","0.2444","0.2884","","","","","","0.965","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029687","10.9297","0.0003","7.3691","0.0002","11.4432","0.0004","90","","94.209","0.003","90","","919.17","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","AMHXI-049","sarpong83","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0549","0.041","","","0.0791","0.0848","","","","","","1.034","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029688","10.1476","0.0009","15.7426","0.0014","10.5615","0.0009","90","","115.257","0.002","90","","1525.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H27 Au Cl P -","- C38 H27 Au Cl P -","- C76 H54 Au2 Cl2 P2 -","2","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.025","0.0231","","","0.0538","0.055","","","","","","1.022","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029693","7.626","0.004","25.042","0.012","8.473","0.004","90","","116.762","0.008","90","","1444.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan","Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.","Beilstein journal of organic chemistry","2013","9","","628","632","10.3762/bjoc.9.70","","","0.71073","MoKα","","0.0567","0.0456","","","0.0991","0.1039","","","","","","1.062","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029695","4.2681","0.0009","10.435","0.002","24.586","0.005","90","","90.2","0.03","90","","1095","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-nitro-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole","","- C10 H6 F3 N3 O3 -","- C10 H6 F3 N3 O3 -","- C40 H24 F12 N12 O12 -","4","2","","Kurpet, Marta K.; Dąbrowska, Aleksandra; Jarosz, Małgorzata M; Kajewska-Kania, Katarzyna; Kuźnik, Nikodem; Suwiński, Jerzy W","Coupling of C-nitro-NH-azoles with arylboronic acids. A route to N-aryl-C-nitroazoles.","Beilstein journal of organic chemistry","2013","9","","1517","1525","10.3762/bjoc.9.173","","","0.71073","MoKα","","0.0806","0.0455","","","0.1276","0.1494","","","","","","1.008","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029696","10.9397","0.0002","10.1557","0.0002","12.7466","0.0002","90","","109.839","0.001","90","","1332.1","0.04","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","16-(Dimethylaminomethyl)salvinorin A","(2S,4aR,6aR,7R,9S,10aS,10bR)- Methyl 9-Acetoxy-2-[2-(dimethylaminomethyl)-3-furyl]-6a,10b-dimethyl- 4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene- 7-carboxylate","","- C26.5 H36.5 N O8.25 -","- C26.5 H36.5 N O8.25 -","- C53 H73 N2 O16.5 -","2","1","","Munro, Thomas A.; Xu, Wei; Ho, Douglas M.; Liu-Chen, Lee-Yuan; Cohen, Bruce M.","Studies toward bivalent κ opioids derived from salvinorin A: heteromethylation of the furan ring reduces affinity.","Beilstein journal of organic chemistry","2013","9","","2916","2924","10.3762/bjoc.9.328","","","0.71073","MoKα","","0.0727","0.0584","","","0.1661","0.182","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4029708","8.604","0.002","29.351","0.008","9.698","0.003","90","","90.108","0.004","90","","2449.1","1.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N2 O7 -","- C25 H27 Br N2 O7 -","- C100 H108 Br4 N8 O28 -","4","2","","Peng, Jiahuan; Du, Da-Ming","Catalytic asymmetric tandem Friedel-Crafts alkylation/Michael addition reaction for the synthesis of highly functionalized chromans.","Beilstein journal of organic chemistry","2013","9","","1210","1216","10.3762/bjoc.9.137","","","0.71073","MoKα","","0.0657","0.0499","","","0.0988","0.1047","","","","","","1.004","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4029716","10.5893","0.0006","19.1221","0.0011","12.1578","0.0007","90","","100.076","0.002","90","","2423.9","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H21 Au I N3 O -","- C27 H21 Au I N3 O -","- C108 H84 Au4 I4 N12 O4 -","4","2","","Wang, Feijun; Li, Shengke; Qu, Mingliang; Zhao, Mei-Xin; Liu, Lian-Jun; Shi, Min","Synthesis of axially chiral oxazoline-carbene ligands with an N-naphthyl framework and a study of their coordination with AuCl·SMe(2).","Beilstein journal of organic chemistry","2012","8","","726","731","10.3762/bjoc.8.81","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.0581","","","","","","1.03","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029717","10.4511","0.0007","9.1426","0.0006","16.1139","0.0011","90","","105.858","0.001","90","","1481.09","0.17","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H36 Cl N3 O2 S -","- C31 H36 Cl N3 O2 S -","- C62 H72 Cl2 N6 O4 S2 -","2","1","","Callebaut, Gert; Mangelinckx, Sven; Van der Veken, Pieter; Törnroos, Karl W; Augustyns, Koen; De Kimpe, Norbert","Asymmetric synthesis of γ-chloro-α,β-diamino- and β,γ-aziridino-α-aminoacylpyrrolidines and -piperidines via stereoselective Mannich-type additions of N-(diphenylmethylene)glycinamides across α-chloro-N-sulfinylimines.","Beilstein journal of organic chemistry","2012","8","","2124","2131","10.3762/bjoc.8.239","","","0.71073","MoKα","","0.0603","0.0595","","","0.1511","0.1523","","","","","","1.083","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029733","8.855","0.004","28.605","0.014","11.19","0.005","90","","96.194","0.007","90","","2818","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 Si2 -","- C18 H22 O2 Si2 -","- C108 H132 O12 Si12 -","6","3","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.17","0.0346","","0.0663","0.0267","0.0267","","","","","","0.8073","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029756","9.2786","0.0007","25.5371","0.0019","10.1633","0.0007","90","","104.948","0.001","90","","2326.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Au I N3 O3 -","- C24 H23 Au I N3 O3 -","- C96 H92 Au4 I4 N12 O12 -","4","2","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.0523","0.0478","","","0.1273","0.1296","","","","","","1","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029764","10.5103","0.0016","7.5216","0.0012","24.079","0.004","90","","93.496","0.003","90","","1900","0.5","193","2","193","2","","","","","","","Na2CO3/MeOH treatment of salvinorin A from Salvia divinorum leaves","3","P 1 21 1","P 2yb","4","8-epi-salvinorin B","(2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 2-(3-furanyl)-dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo- 2H-naphtho[2,1-c]pyran-7-carboxylate","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","2","","Munro, Thomas A.; Duncan, Katharine K.; Staples, Richard J.; Xu, Wei; Liu-Chen, Lee-Yuan; Béguin, Cécile; Carlezon, Jr, William A; Cohen, Bruce M.","8-epi-Salvinorin B: crystal structure and affinity at the kappa opioid receptor.","Beilstein journal of organic chemistry","2007","3","1","1","","10.1186/1860-5397-3-1","","","0.71073","MoKα","","0.0481","0.0427","","","0.0934","0.0962","","","","","","1.01","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4029775","6.6454","0.0003","17.9624","0.0009","9.3062","0.0004","90","","98.981","0.004","90","","1097.24","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C48 H62 N2 O8 -","2","1","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.0845","0.0462","","","0.1039","0.1153","","","","","","0.923","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029781","12.2424","0.0015","17.278","0.002","16.726","0.0019","90","","98.199","0.002","90","","3501.8","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H62 N2 O4 -","- C34 H62 N2 O4 -","- C136 H248 N8 O16 -","4","2","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.1194","0.1042","","","0.2406","0.2529","","","","","","1.219","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029812","13.72","0.003","7.2534","0.0018","14.954","0.004","90","","90.634","0.014","90","","1488.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H25 Cl N2 O3 -","- C34 H25 Cl N2 O3 -","- C68 H50 Cl2 N4 O6 -","2","1","","Zhang, Hong-Hao; Wang, Yue-Ming; Xie, Yuan-Wei; Zhu, Zi-Qi; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Chemo-, (E/Z)- and Enantioselective Formal Alkenylation of Indole-Derived Hydroxylactams Using o-Hydroxystyrenes as a Source of Alkenyl Group.","The Journal of organic chemistry","2014","79","15","7141","7151","10.1021/jo501293m","","","0.71073","MoKα","","0.1803","0.0655","","","0.147","0.2103","","","","","","0.939","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029827","12.6288","0.0006","9.4968","0.0005","13.1535","0.0007","90","","118.149","0.002","90","","1390.96","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 F3 N3 O5 -","- C28 H32 F3 N3 O5 -","- C56 H64 F6 N6 O10 -","2","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","1.54178","CuKα","","0.0361","0.0343","","","0.0763","0.0773","","","","","","1.005","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029833","17.049","0.002","6.88","0.001","34.497","0.003","90","","93.65","0.05","90","","4038.2","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C5'-C6'[S]epoxide of O2',O3' di-terbutyldimethylsilyl uridine","","- C22 H40 N2 O6 Si2 -","- C22 H40 N2 O6 Si2 -","- C132 H240 N12 O36 Si12 -","6","3","","Fer, Mickaël J; Doan, Pierre; Prangé, Thierry; Calvet-Vitale, Sandrine; Gravier-Pelletier, Christine","A diastereoselective synthesis of 5'-substituted-uridine derivatives.","The Journal of organic chemistry","2014","79","16","7758","7765","10.1021/jo501410m","","","0.964","synchrotron","","0.0946","0.0945","","","0.2385","0.2389","","","","","","2.598","","","","has coordinates,has disorder","204142","2020-10-21","18:00:00",""
"4029834","10.0649","0.0007","17.5489","0.0012","10.2527","0.0007","90","","97.268","0.001","90","","1796.4","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 F3 N2 O S -","- C16 H21 F3 N2 O S -","- C64 H84 F12 N8 O4 S4 -","4","2","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Friedel-Crafts Reactions of N-tert-Butylsulfinyl-3,3,3-trifluoroacetaldimines: General Access to Enantiomerically Pure Indoles Containing a 1-Amino-2,2,2-trifluoroethyl Group.","The Journal of organic chemistry","2014","79","16","7677","7681","10.1021/jo5012009","","","0.71073","MoKα","","0.0451","0.0364","","","0.0885","0.0939","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029835","12.2469","0.0006","9.3854","0.0005","14.4662","0.0007","90","","103.089","0.002","90","","1619.57","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N6 O6 S2 -","- C26 H30 N6 O6.01 S2 -","- C52 H60 N12 O12.02 S4 -","2","1","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0824","0.0761","","","0.2118","0.2232","","","","","","0.885","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029836","11.7533","0.0002","9.4038","0.0002","14.313","0.0003","90","","96.434","0.001","90","","1571.99","0.05","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl F3 N2 O2 S -","- C13 H14 Cl F3 N2 O2 S -","- C52 H56 Cl4 F12 N8 O8 S4 -","4","2","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0381","0.0325","","","0.0673","0.0695","","","","","","1.062","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029903","9.6551","0.0006","18.218","0.001","12.0682","0.0006","90","","105.377","0.003","90","","2046.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42.5 H43 Cl N2 O4 S2 -","- C42.5 H43 Cl N2 O4 S2 -","- C85 H86 Cl2 N4 O8 S4 -","2","1","","Chen, Chun-Chih; Gopula, Balraj; Syu, Jin-Fong; Pan, Jhih-Han; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; Wu, Hsyueh-Liang","Enantioselective and rapid rh-catalyzed arylation of N-tosyl- and N-nosylaldimines in methanol.","The Journal of organic chemistry","2014","79","17","8077","8085","10.1021/jo5012653","","","0.71073","MoKα","","0.1719","0.0919","","","0.2472","0.3111","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029910","12.4927","0.0004","6.17535","0.00017","16.8213","0.0005","90","","104.242","0.003","90","","1257.82","0.07","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0446","0.0401","","","0.1005","0.1042","","","","","","0.832","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029928","9.6515","0.0003","14.4863","0.0014","20.1681","0.0014","90","","98.122","0.005","90","","2791.5","0.3","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31.5 H28 B Cl Fe N P -","- C31.5 H28 B Cl Fe N P -","- C126 H112 B4 Cl4 Fe4 N4 P4 -","4","2","","Utepova, Irina A.; Chupakhin, Oleg N.; Serebrennikova, Polina O.; Musikhina, Alexandra A.; Charushin, Valery N.","Two approaches in the synthesis of planar chiral azinylferrocenes.","The Journal of organic chemistry","2014","79","18","8659","8667","10.1021/jo5014299","","","0.71073","MoKα","","0.0945","0.0435","","","0.099","0.1057","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029938","10.867","0.0007","23.2902","0.0018","15.3789","0.0011","90","","93.761","0.002","90","","3883.9","0.5","143","2","143","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-(R,R)Ac5(N3))3-OMe.MeOH","","- C61 H103 N27 O13 -","- C61 H103 N27 O13 -","- C122 H206 N54 O26 -","2","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.7107","MoKα","","0.1254","0.089","","","0.2152","0.2434","","","","","","1.03","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029943","8.9801","0.0001","6.8503","0.0001","10.1338","0.0002","90","","102.746","0.002","90","","608.033","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0441","0.0434","","","0.1223","0.1234","","","","","","1.068","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029944","8.1569","0.00007","9.74184","0.00008","8.33981","0.00006","90","","101.428","0.0007","90","","649.569","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0277","0.0267","","","0.07","0.071","","","","","","1.058","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029959","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029980","8.3116","0.0002","7.9434","0.0002","12.1109","0.0003","90","","91.6599","0.0013","90","","799.25","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0383","0.033","","0.0813","0.0763","0.0813","","","","","","0.9267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029983","5.09924","0.00011","8.14026","0.00019","20.2137","0.0004","90","","91.852","0.002","90","","838.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O8 -","- C14 H21 N O8 -","- C28 H42 N2 O16 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","1.54184","CuKα","","0.0373","0.036","","0.0948","0.0926","0.0948","","","","","","1.0053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029989","3.838","0.0004","7.3609","0.0008","16.283","0.0017","90","","92.324","0.01","90","","459.63","0.08","100.05","0.1","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0473","0.0432","","","0.101","0.1051","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029996","11.2767","0.0007","5.3947","0.0003","11.4249","0.0008","90","","108.049","0.003","90","","660.83","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br N O5 -","- C12 H12 Br N O5 -","- C24 H24 Br2 N2 O10 -","2","1","","Roy, Suparna; Chen, Kan-Fu; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic kinetic resolution of racemic secondary nitroallylic alcohols combined with simultaneous desymmetrization of prochiral cyclic anhydrides.","The Journal of organic chemistry","2014","79","19","8955","8959","10.1021/jo501882q","","","0.71073","MoKα","","0.0222","0.0196","","","0.0429","0.0435","","","","","","0.935","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030001","9.636","0.00009","9.3346","0.00009","10.4933","0.0001","90","","100.023","0.0003","90","","929.448","0.015","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","x-ray","1.54178","CuKα","","0.0278","0.0276","","","0.0729","0.0731","","","","","","1.038","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030008","6.2184","0.0015","16.744","0.004","10.777","0.003","90","","91.444","0.004","90","","1121.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C36 H46 Cl6 N2 O12 P2 -","2","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.0658","0.0603","","","0.1316","0.1344","","","","","","1.173","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030009","10.1013","0.0002","7.05282","0.00015","10.41517","0.00019","90","","92.2668","0.0013","90","","741.42","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C40 H34 N6 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0466","","","","0.1197","","","","","","1.054","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030026","12.8326","0.0002","5.3196","0.0004","7.7207","0.0006","90","","90.073","0.004","90","","527.05","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H7 N O3 -","- C15 H7 N O3 -","- C30 H14 N2 O6 -","2","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1015","0.0627","","","0.1216","0.1421","","","","1.55","1.55","1.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030052","7.3074","0.001","11.6936","0.0017","17.175","0.002","90","","99.165","0.005","90","","1448.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H46 N2 O Sn -","- C30 H46 N2 O Sn -","- C60 H92 N4 O2 Sn2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0774","0.0616","","","0.1457","0.1541","","","","","","1.088","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030053","8.665","0.003","8.399","0.002","10.277","0.003","90","","93.321","0.015","90","","746.7","0.4","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0465","0.0396","","","0.0921","0.0966","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030074","13.9906","0.0007","13.308","0.0006","20.9613","0.001","90","","97.6003","0.0007","90","","3868.4","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H98 N2 Si2 -","- C90 H98 N2 Si2 -","- C180 H196 N4 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.0485","0.0362","","","0.0782","0.0841","","","","","","1.016","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030089","9.8003","0.0005","17.4561","0.0009","10.0164","0.0005","90","","96.368","0.002","90","","1702.98","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N3 O2 -","- C16 H27 N3 O2 -","- C64 H108 N12 O8 -","4","2","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0279","0.0276","","","0.0688","0.069","","","","","","1.03","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030099","14.9668","0.0005","10.1098","0.0004","22.2147","0.0009","90","","96.306","0.001","90","","3341","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","JJ-ad","","","- C33 H33 Br Cl N3 O -","- C33 H33 Br Cl N3 O -","- C132 H132 Br4 Cl4 N12 O4 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.11","0.062","","","0.182","0.2145","","","","","","0.995","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030100","15.4637","0.0009","7.0007","0.0004","17.5777","0.0009","90","","112.138","0.002","90","","1762.62","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dienamina HCl_LT","","","- C38 H39 Br Cl F3 N3 O4 -","- C38 H39 Br Cl F3 N3 O4 -","- C76 H78 Br2 Cl2 F6 N6 O8 -","2","1","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.1093","0.0933","","","0.2585","0.2695","","","","","","1.071","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030106","8.7618","0.0011","28.36","0.004","8.9322","0.0011","90","","100.258","0.005","90","","2184","0.5","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O9 -","- C20 H32 O9 -","- C80 H128 O36 -","4","2","","Das, Soumendra Nath; Rana, Richa; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha; Mandal, Sukhendu B.","Ring-Closing Metathesis and Glycosylation Reactions: Synthesis and Biophysical Studies of Polyether-Linked Carbohydrate-Based Macrocyclic Nucleosides.","The Journal of organic chemistry","2014","79","21","9958","","10.1021/jo501857k","","","0.71073","MoKα","","0.0458","0.0392","","","0.0932","0.0978","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030114","5.1699","0.0001","7.3333","0.0002","11.1791","0.0002","90","","89.7378","0.0017","90","","423.822","0.016","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N O5 -","- C7 H15 N O5 -","- C14 H30 N2 O10 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0328","0.0327","","0.0832","0.0831","0.0832","","","","","","1.0184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030116","10.6486","0.0004","8.3141","0.0003","11.0574","0.0005","90","","105.074","0.0015","90","","945.26","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C38 H58 N2 O8 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","0.71073","MoKα","","0.0402","0.0325","","0.0746","0.0715","0.0746","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030117","7.7876","0.0002","9.2123","0.0002","9.6509","0.0003","90","","107.017","0.003","90","","662.06","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0302","0.03","","0.0772","0.0771","0.0772","","","","","","1.0157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030124","9.3395","0.0019","9.881","0.002","11.877","0.002","90","","101.85","0.03","90","","1072.7","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C44 H56 N4 O10 -","2","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.1065","0.0754","","","0.1916","0.216","","","","","","1.025","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030137","8.0631","0.0002","6.911","0.0002","12.3303","0.0003","90","","92.691","0.001","90","","686.34","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N O2 -","- C17 H18 N O2 -","- C34 H36 N2 O4 -","2","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.044","0.0424","","","0.1187","0.1212","","","","","","1.05","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030147","8.467","0.001","14.563","0.001","20.469","0.004","90","","91.636","0.001","90","","2522.9","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl F N O2 P -","- C30 H24 Cl F N O2 P -","- C120 H96 Cl4 F4 N4 O8 P4 -","4","2","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1609","0.0617","","","0.0923","0.1151","","","","","","1.002","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030152","12.6491","0.0002","7.4042","0.0001","16.8171","0.0003","90","","101.056","0.001","90","","1545.8","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C35 H40 O7 -","- C35 H40 O7 -","- C70 H80 O14 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0271","0.0263","","","0.0665","0.0673","","","","","","1.069","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030153","7.295","0.004","10.397","0.006","9.314","0.005","90","","93.93","0.04","90","","704.8","0.7","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cl4 Fe K -","- Cl4 Fe K -","- Cl16 Fe4 K4 -","4","2","","Cerisier, J.; Guillot, C.; Palvadeau, P.; Rouxel, J.","Caracterisation et etude de proprietes physiques de conducteurs ioniques MFeCl4 (M = Li, Na, K, Rb, Cs)","European Journal of Solid State and Inorganic Chemistry","1988","25","","35","52","","","x-ray","1.542","CuKα","","","","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030167","7.425","0.002","29.523","0.007","8.348","0.002","90","","107.871","0.004","90","","1741.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Xu, Changming; Zhang, Long; Luo, Sanzhong","Asymmetric enamine catalysis with β-ketoesters by chiral primary amine: divergent stereocontrol modes.","The Journal of organic chemistry","2014","79","23","11517","11526","10.1021/jo502152w","","","0.71073","MoKα","","0.0422","0.0392","","","0.0802","0.0831","","","","","","1.075","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030210","5.5979","0.0009","16.633","0.0016","8.6913","0.0007","90","","101.74","0.011","90","","792.32","0.16","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C38 H32 Br2 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","1.54184","CuKα","","0.0327","0.0313","","","0.0798","0.0823","","","","","","1.044","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030211","7.9007","0.0016","10.334","0.002","8.6158","0.0017","90","","111.72","0.03","90","","653.5","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","0.71073","MoKα","","0.0465","0.0422","","","0.0991","0.1025","","","","","","1.087","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030219","8.836","0.002","6.0632","0.0019","16.037","0.005","90","","100.167","0.007","90","","845.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C30 H56 N4 O10 -","2","1","","Sánchez-Fernández, Elena M; Álvarez, Eleuterio; Ortiz Mellet, Carmen; García Fernández, José M","Synthesis of multibranched australine derivatives from reducing castanospermine analogues through the Amadori rearrangement of gem-diamine intermediates: selective inhibitors of β-glucosidase.","The Journal of organic chemistry","2014","79","23","11722","11728","10.1021/jo5025283","","","0.71073","MoKα","","0.0689","0.0513","","","0.1319","0.1718","","","","","","1.096","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030228","7.4676","0.0002","6.9456","0.0001","17.1815","0.0004","90","","102.013","0.0011","90","","871.64","0.03","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0324","0.0304","","0.0816","0.0802","0.0816","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030230","18.4241","0.0007","12.7737","0.0005","20.9954","0.0005","90","","113.385","0.002","90","","4535.3","0.3","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C22 H44 Si4 -","- C22 H44 Si4 -","- C132 H264 Si24 -","6","3","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.1332","0.0914","","0.2986","0.239","0.2986","","","","","","0.9832","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030292","8.5036","0.0001","26.1166","0.0003","9.3544","0.0001","90","","94.3007","0.0009","90","","2071.62","0.04","150","","150","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","2","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0345","0.0325","","0.0841","0.0828","0.0841","","","","","","1.0028","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030295","11.9733","0.0004","7.2755","0.0002","31.2394","0.001","90","","98.701","0.001","90","","2690","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O4 -","- C31 H44 O4 -","- C124 H176 O16 -","4","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0341","0.0319","","","0.0854","0.0873","","","","","","1.043","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030316","9.2564","0.0003","11.0884","0.0004","11.8407","0.0004","90","","93.789","0.0019","90","","1212.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-(((3aR,7aR)-1,3-diisopropyl-2-oxidohexahydro-1H-benzo[d][1,3,2] diazaphosphol-2(3H)-yl)amino)-1-morhpolino-2-phenylethanone","","- C24 H39 N4 O3 P -","- C24 H39 N4 O3 P -","- C48 H78 N8 O6 P2 -","2","1","","Seifert, Cole W.; Pindi, Suresh; Li, Guigen","Asymmetric Carbamoyl Anion Additions to Chiral N-Phosphonyl Imines via the GAP Chemistry Process and Stereoselectivity Enrichments.","The Journal of organic chemistry","2014","80","1","447","","10.1021/jo5024443","","","0.71073","MoKα","","0.0316","0.0296","","","0.0707","0.0718","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030321","6.4713","0.0002","6.9416","0.0002","11.6404","0.0004","90","","101.765","0.002","90","","511.92","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_1a","gene191","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","","Fauber, Benjamin P.; Clagg, Kyle; Gibbons, Paul; Rene, Olivier","An Experimental and Computational Study of the Diastereoselective Alkylations of 3-Substituted gamma-Sultams.","The Journal of organic chemistry","2014","80","1","685","","10.1021/jo502506j","","","1.54178","CuKα","","0.0297","0.0294","","","0.0777","0.078","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4030348","5.429","0.001","9.24","0.002","9.298","0.002","90","","106.79","0.02","90","","446.54","0.17","","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H2 F6 O4 S2 -","- C3 H2 F6 O4 S2 -","- C6 H4 F12 O8 S4 -","2","1","","Desmarteau, D. D.; Pennington, W. T.; Sung, K.-S.; Zhu, S.-Z.; Scott, R.","Novel layered structures in metal salts of bis(sulfonyl) methanes","European Journal of Solid State and Inorganic Chemistry","1991","28","","905","917","","","x-ray","0.71069","MoKα","","","0.0392","","","0.0501","","","","","","","","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030366","7.9977","0.0016","9.4736","0.0018","15.462","0.003","90","","101.002","0.004","90","","1150","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C46 H68 N4 O8 -","2","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0535","0.0461","","","0.1195","0.1253","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030375","6.2999","0.0011","7.7215","0.0012","14.823","0.002","90","","95.614","0.013","90","","717.6","0.19","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O -","- C14 H24 N2 O -","- C28 H48 N4 O2 -","2","1","","Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej","Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction.","The Journal of organic chemistry","2014","80","1","237","","10.1021/jo502317m","","","0.71073","MoKα","","0.0521","0.0474","","","0.1187","0.1226","","","","","","1.101","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030437","6.056","0.001","5.628","0.001","8.175","0.001","90","","103.09","0.02","90","","271.39","0.08","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Eu F7 Sn -","- Eu F7 Sn -","- Eu2 F14 Sn2 -","2","1","","Benner, G.; Hoppe, R.","Two new compounds of the SmZrF7-type: EuSnF7 and YSnF7","European Journal of Solid State and Inorganic Chemistry","1992","29","","659","677","","","x-ray","0.71069","MoKα","","","0.0419","","","0.0366","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030438","5.954","0.0009","5.5646","0.0007","8.057","0.001","90","","103.32","0.01","90","","259.76","0.06","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- F7 Sn Y -","- F7 Sn Y -","- F14 Sn2 Y2 -","2","1","","Benner, G.; Hoppe, R.","Two new compounds of the SmZrF7-type: EuSnF7 and YSnF7","European Journal of Solid State and Inorganic Chemistry","1992","29","","659","677","","","x-ray","0.71069","MoKα","","","0.0345","","","0.0328","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030456","10.1214","0.0004","7.5832","0.0003","16.0129","0.0007","90","","103.682","0.003","90","","1194.16","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C52 H52 Br2 N2 O12 -","2","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0359","0.031","","","0.0684","0.0703","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030461","11.7835","0.0008","11.5305","0.0006","13.3166","0.0009","90","","102.697","0.007","90","","1765.1","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl3 N O3 S -","- C15 H18 Cl3 N O3 S -","- C60 H72 Cl12 N4 O12 S4 -","4","2","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0645","0.0556","","","0.1449","0.1621","","","","","","1.08","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030470","10.489","0.003","7.978","0.001","10.912","0.002","90","","115.008","0.005","90","","827.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4a'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,7'-pyrrolo[1,2-c] [1,2,3]oxathiazine] 1',1'-dioxide","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C34 H46 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0605","0.0409","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030473","9.0626","0.0005","14.5164","0.001","12.4684","0.0009","90","","106.449","0.004","90","","1573.16","0.18","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","1","0.5","","Li, Xin; Tan, Wei; Gong, Yu-Xin; Shi, Feng","Catalyst-controlled chemoselective reaction of 3-indolylmethanols with cyclic enaminones leading to c2-functionalized indoles.","The Journal of organic chemistry","2015","80","3","1841","1848","10.1021/jo502782b","","","0.71073","MoKα","","0.0595","0.0448","","","0.1129","0.1273","","","","","","1.065","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030538","5.8763","0.0004","9.3567","0.0007","22.8256","0.0016","90","","95.152","0.004","90","","1249.94","0.15","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","isoxazolidine","(3aS,5aS,7R,8R,8aS)-1-benzyl-8-(benzyloxy)-7-((benzyloxy)methyl)hexahydro-1H-furo [2',3':2,3]furo[3,4-c]isoxazole","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C58 H62 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0515","0.0397","","","0.1055","0.1201","","","","","","1.069","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030541","9.66","0.002","10.965","0.002","10.599","0.002","90","","96.916","0.012","90","","1114.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclopentaisooxazole","(3aR,5R,5aS,6aR,9aR,9bR)-1-benzyl-5-(benzyloxy)-8,8-dimethyloctahydro- [1,3]dioxolo[4'',5'':4',5']furo[3',2':1,5]cyclopenta[1,2-c]isoxazole","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0493","0.0404","","","0.1112","0.1208","","","","","","0.976","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030544","12.804","0.004","5.996","0.002","13.75","0.005","90","","108.29","0.02","90","","1002.3","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","oxazocinyl acetate","(3S,5R,6aR,7aR,10aR,10bR)-1-benzyl-9,9-dimethyloctahydro-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,2]oxazocin-5-yl acetate","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0883","0.0574","","","0.1487","0.1965","","","","","","1.085","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030554","11.4665","0.0007","7.6859","0.0003","16.067","0.0011","90","","104.046","0.003","90","","1373.65","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","2","","Ruppenthal, Simon; Brückner, Reinhard","Symmetric Diarylsulfoxides as Asymmetric Sulfinylating Reagents for Dialkylmagnesium Compounds.","The Journal of organic chemistry","2014","80","2","897","","10.1021/jo502417j","","","0.71073","MoKα","","0.051","0.0438","","","0.1092","0.1151","","","","","","1.022","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030591","10.158","0.005","6.593","0.005","13.228","0.005","90","0.004","98.716","0.005","90","0.005","875.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Br N O6 P -","- C15 H21 Br N O6 P -","- C30 H42 Br2 N2 O12 P2 -","2","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0657","0.0533","","","0.1002","0.1094","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030597","10.1519","0.0009","11.209","0.001","14.0068","0.0013","90","","97","0.001","90","","1582","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","2","","Zhou, Yirong; Yang, Qin; Shen, Jian; Chen, Xin; Peng, Yiyuan; Gong, Yuefa","Merging asymmetric Henry reaction with organocatalytic cascade reaction for the construction of a chiral indolizidine alkaloid skeleton.","The Journal of organic chemistry","2015","80","3","1446","1456","10.1021/jo502379v","","","0.71073","MoKα","","0.0708","0.0367","","","0.0657","0.0748","","","","","","0.911","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030724","7.9391","0.0007","17.139","0.003","8.858","0.002","90","","98","0.02","90","","1193.6","0.4","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Cr3 N2 O10 -","- C20 Cr3 N2 O10 -","- C40 Cr6 N4 O20 -","2","1","","Lorenzio Luis, P. A.; Martin-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.","Preparation and characterization of a trioxofluorochromate(VI) and a trichromate(VI) of 2-methylquinolinium","European Journal of Solid State and Inorganic Chemistry","1995","32","","353","360","","","x-ray","0.71073","MoKα","","","0.0358","","","0.1062","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030726","8.3004","0.0004","21.1079","0.0009","14.7263","0.0006","90","","90.917","0.003","90","","2579.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","4","","Wang, Weiguo; Peng, Xianglong; Qin, Xiaoyu; Zhao, Xiangyun; Ma, Chen; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Quinolinones with Palladium-Catalyzed Oxidative Annulation between Acrylamides and Arynes.","The Journal of organic chemistry","2015","80","5","2835","2841","10.1021/jo5027673","","","1.54184","CuKα","","0.1285","0.0976","","","0.2486","0.2936","","","","","","1.062","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030768","8.1102","0.0014","5.2791","0.0009","13.309","0.002","90","","105.678","0.003","90","","548.62","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0448","0.0385","","","0.0976","0.1017","","","","","","1.026","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030773","16.318","0.002","13.985","0.003","11.242","0.003","90","","121.231","0.014","90","","2193.7","0.9","","","210","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H66 La2 O4 -","- C47 La2 O4 -","- C94 La4 O8 -","2","1","","Schumann, H.; Zietzke, K.; Weimann, R.","Organometallic compounds of the lanthanides, 99. Synthesis and crystal structure of bis(cyclopentadienyl)rare earth acetates (Cp2LnO2CCH3)2 (Cp = C5H5, C5HMe4, C5Me5)","European Journal of Solid State and Inorganic Chemistry","1996","33","","121","144","","","x-ray","0.71069","MoKα","","","0.0203","","","0.0465","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030838","6.485","0.0012","11.608","0.002","35.604","0.007","90","","92.732","0.004","90","","2677.1","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H38 O4 S Si -","- C25 H38 O4 S Si -","- C100 H152 O16 S4 Si4 -","4","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.4334","0.0868","","","0.1273","0.1846","","","","","","0.67","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030848","6.071","0.003","18.734","0.007","7.024","0.003","90","","98.101","0.014","90","","790.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","1.54178","CuKα","","0.0357","0.0348","","","0.0951","0.0956","","","","","","1.081","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030849","6.6036","0.0008","19.939","0.003","6.6798","0.0008","90","","110.291","0.009","90","","824.94","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","0.71073","MoKα","","0.0326","0.0293","","","0.0768","0.0791","","","","","","1.056","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030877","5.83","0.005","8.288","0.008","16.725","0.016","90","","92.845","0.009","90","","807.1","1.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Wei, Ai-Jia; Nie, Jing; Zheng, Yan; Ma, Jun-An","Ni-Catalyzed Highly Chemo-, Regio-, and Enantioselective Decarboxylative Aldol Reaction of β,γ-Unsaturated α-Ketoesters with β-Ketoacids.","The Journal of organic chemistry","2015","80","8","3766","3776","10.1021/jo502741z","","","0.71073","MoKα","","0.0683","0.0442","","","0.0989","0.108","","","","","","0.846","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030891","5.082","0.012","9.83","0.02","18","0.04","90","","94.98","0.05","90","","896","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C40 H36 Br2 N2 O4 -","2","1","","Huang, You-Ming; Zheng, Chang-Wu; Zhao, Gang","Asymmetric Robinson-Type Annulation Reaction between β-Ketoamides and α,β-Unsaturated Ketones.","The Journal of organic chemistry","2015","80","8","3798","3805","10.1021/jo502904n","","","0.71073","MoKα","","0.1139","0.0839","","","0.2333","0.2551","","","","","","1.1","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030927","8.9655","0.0006","6.4598","0.0004","12.7951","0.0008","90","","102.099","0.003","90","","724.57","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O7 -","- C14 H18 O7 -","- C28 H36 O14 -","2","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0331","0.0329","","","0.0888","0.089","","","","","","1.067","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030930","9.0936","0.0002","7.4943","0.0001","11.9251","0.0002","90","","95.444","0.001","90","","809.03","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C46 H32 O2 -","2","1","","Srinivas, Harathi D.; Maity, Prantik; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective Copper-Catalyzed Alkynylation of Benzopyranyl Oxocarbenium Ions","The Journal of Organic Chemistry","2015","","","150407082540000","","10.1021/acs.joc.5b00364","","","1.54178","CuKα","","0.0264","0.0259","","","0.0672","0.0676","","","","","","1.039","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030942","5.5812","0.0007","47.12","0.006","9.2435","0.0011","90","","103.343","0.003","90","","2365.3","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Rananaware, Anushri; Bhosale, Rajesh S.; Ohkubo, Kei; Patil, Hemlata; Jones, Lathe A.; Jackson, Sam L.; Fukuzumi, Shunichi; Bhosale, Sidhanath V.; Bhosale, Sheshanath V.","Tetraphenylethene-Based Star Shaped Porphyrins: Synthesis, Self-assembly, and Optical and Photophysical Study.","The Journal of organic chemistry","2015","80","8","3832","3840","10.1021/jo502760e","","","0.71073","MoKα","","0.0972","0.0659","","","0.1531","0.1684","","","","","","1.028","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030944","5.0849","0.0005","10.9285","0.0012","12.7619","0.0013","90","","97.741","0.012","90","","702.72","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","EDT-TTF(CN)(CF3)","","","- C10 H4 F3 N S6 -","- C10 H4 F3 N S6 -","- C20 H8 F6 N2 S12 -","2","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0557","0.0327","","","0.0691","0.0765","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030957","6.286","0.0012","7.3672","0.0015","28.272","0.006","90","","92.047","0.013","90","","1308.4","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 Br2 O6 -","- C29 H28 Br2 O6 -","- C58 H56 Br4 O12 -","2","1","","Wang, Bian-Lin; Gao, Hai-Tao; Li, Wei-Dong Z","Total synthesis of (+)-iresin.","The Journal of organic chemistry","2015","80","10","5296","5301","10.1021/acs.joc.5b00365","","","0.71075","MoKα","","0.074","0.053","","","0.1339","0.1477","","","","","","0.84","","","","has coordinates","138271","2020-10-21","18:00:00",""
"4030958","7.2875","0.0003","10.6142","0.0004","14.7414","0.0006","90","","91.936","0.004","90","","1139.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Deka, Manash J.; Indukuri, Kiran; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Synthesis of Five-, Six-, and Seven-Membered 1,3- and 1,4-Heterocyclic Compounds via Intramolecular Hydroalkoxylation/Hydrothioalkoxylation of Alkenols/Thioalkenols.","The Journal of organic chemistry","2015","80","9","4349","4359","10.1021/acs.joc.5b00049","","","0.71073","MoKα","","0.0463","0.0386","","","0.0807","0.0851","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030971","10.659","0.002","8.0066","0.0016","14.918","0.003","90","","103.12","0.03","90","","1239.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 B F4 N2 O4 -","- C24 H27 B F4 N2 O4 -","- C48 H54 B2 F8 N4 O8 -","2","1","","Pellegrino, Sara; Bonetti, Andrea; Clerici, Francesca; Contini, Alessandro; Moretto, Alessandro; Soave, Raffaella; Gelmi, Maria Luisa","1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 310 Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles.","The Journal of organic chemistry","2015","80","11","5507","5516","10.1021/acs.joc.5b00396","","","0.71073","MoKα","","0.1381","0.0844","","","0.2312","0.2712","","","","","","1.015","","","","has coordinates,has disorder","141370","2020-10-21","18:00:00",""
"4030975","8.893","0.0003","25.5926","0.0008","14.1377","0.0004","90","","90.01","","90","","3217.67","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N3 O8 -","- C35 H35 N3 O8 -","- C140 H140 N12 O32 -","4","2","","Dai, Wei; Jiang, Xiao-Li; Wu, Qiong; Shi, Feng; Tu, Shu-Jiang","Diastereo- and Enantioselective Construction of 3,3'-Pyrrolidinyldispirooxindole Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions.","The Journal of organic chemistry","2015","80","11","5737","5744","10.1021/acs.joc.5b00708","","","1.54178","CuKα","","0.0836","0.0799","","","0.1989","0.2048","","","","","","1.064","","","","has coordinates","140165","2020-10-21","18:00:00",""
"4030976","12.2059","0.0005","6.2367","0.0002","13.0601","0.0005","90","","108.288","0.001","90","","943.98","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C50 H38 O4 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71073","MoKα","","0.0357","0.0311","","","0.0728","0.0741","","","","","","1.341","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030977","12.0467","0.0006","6.5161","0.0003","12.2531","0.0005","90","","117.784","0.002","90","","850.95","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H14 N O P -","- C21 H14 N O P -","- C42 H28 N2 O2 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71075","MoKα","","0.063","0.0446","","","0.0866","0.0956","","","","","","1.197","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030997","11.711","0.0003","5.8434","0.0002","15.8296","0.0004","90","","97.347","0.001","90","","1074.36","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","","Mondal, Mukulesh; Chen, Shi; Othman, Nabil; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-Catalyzed Diastereoselective Synthesis of β-Lactones from Disubstituted Ketenes and α-Chiral Oxyaldehydes.","The Journal of organic chemistry","2015","80","11","5789","5794","10.1021/acs.joc.5b00869","","","1.54178","CuKα","","0.0476","0.0427","","","0.1091","0.1152","","","","","","1.077","","","","has coordinates","140160","2020-10-21","18:00:00",""
"4031009","4.5889","0.0002","46.758","0.002","8.8264","0.0005","90","","104.958","0.003","90","","1829.69","0.15","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.118","0.1027","","","0.274","0.2845","","","","","","1.051","","","","has coordinates,has disorder","140159","2020-10-21","18:00:00",""
"4031018","5.5907","0.0017","13.518","0.004","5.7882","0.0017","90","","92.261","0.007","90","","437.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0992","0.0633","","","0.144","0.1634","","","","","","1.039","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031019","10.902","0.009","11.579","0.009","11.064","0.009","90","","112.415","0.015","90","","1291.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 Cl N O4 Si -","- C24 H34 Cl N O4 Si -","- C48 H68 Cl2 N2 O8 Si2 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0515","0.0475","","","0.1309","0.1353","","","","","","1.042","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031034","10.6858","0.0004","6.5912","0.0003","15.6583","0.0007","90","","100.169","0.003","90","","1085.52","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C50 H64 O8 -","2","1","","Williams, David R.; Gladen, Paul T.; Pinchman, Joseph R.","Total synthesis of neodolastane diterpenes trichoaurantianolides C and d.","The Journal of organic chemistry","2015","80","11","5474","5493","10.1021/acs.joc.5b00355","","x-ray","1.54178","CuKα","","0.0421","0.0346","","","0.0805","0.0842","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031039","6.11584","0.00008","7.91067","0.00011","22.5849","0.0003","90","","93.7987","0.0012","90","","1090.27","0.03","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 Cl2 N O -","- C25 H23 Cl2 N O -","- C50 H46 Cl4 N2 O2 -","2","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0338","0.0336","","","0.089","0.0892","","","","","","1.038","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031060","5.4181","0.0006","15.648","0.0015","12.4307","0.0015","90","","92.416","0.009","90","","1053","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1251","0.0637","","","0.1392","0.1723","","","","","","1.046","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031062","10.7814","0.001","10.1234","0.0008","26.655","0.003","90","","90.485","0.01","90","","2909.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N3 O7 -","- C28 H33 N3 O7 -","- C112 H132 N12 O28 -","4","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2651","0.0999","","","0.2027","0.2498","","","","","","0.969","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031067","4.8504","0.0004","11.6933","0.0009","18.5551","0.0015","90","","96.39","0.004","90","","1045.85","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0465","0.0357","","","0.0851","0.0906","","","","","","1.046","","","","has coordinates","138005","2020-10-21","18:00:00",""
"4031071","10.83","0.002","10.354","0.002","11.114","0.002","90","","94.62","0.03","90","","1242.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Cl2 N O5 -","- C26 H25 Cl2 N O5 -","- C52 H50 Cl4 N2 O10 -","2","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0365","0.0277","","","0.0647","0.0667","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031074","10.3611","0.0012","6.327","0.0008","14.2252","0.0017","90","","110.316","0.0017","90","","874.52","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C38 H34 Br2 N4 O6 -","2","1","","Mao, Jian-Hui; Wang, Zi-Tian; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Oxidative Annulations of α,β-Unsaturated Aldehydes with Hydrazones: Selective Synthesis of Optically Active 4,5-Dihydropyridazin-3-ones and Pyridazin-3-ones.","The Journal of organic chemistry","2015","80","12","6350","6359","10.1021/acs.joc.5b00784","","","0.71073","MoKα","","0.0258","0.0233","","","0.0529","0.0538","","","","","","0.855","","","","has coordinates","140150","2020-10-21","18:00:00",""
"4031100","11.158","0.002","6.258","0.0011","12.637","0.003","90","","113.207","0.002","90","","811","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 Br O -","- C23 H15 Br O -","- C46 H30 Br2 O2 -","2","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71069","MoKα","","","0.046","","","","0.1278","","","","","","1.073","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031117","10.5192","0.0002","21.7942","0.0005","19.6037","0.0005","90","","91.659","0.002","90","","4492.41","0.18","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H63 N O2 P Pd -","- C51 H63 N O2 P Pd -","- C204 H252 N4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","1.54178","CuKα","","0.1002","0.0816","","","0.2032","0.2184","","","","","","1.094","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031148","12.5944","0.0004","8.1531","0.0002","13.457","0.0005","90","","94.025","0.002","90","","1378.4","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /cyclohexanone (1:1)","","- C34 H36 O5 -","- C34 H36 O5 -","- C68 H72 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0488","0.0388","","","0.0986","0.1045","","","","","","1.037","","","","has coordinates","152870","2020-10-21","18:00:00",""
"4031150","12.4493","0.0006","8.2368","0.0004","13.9466","0.0007","90","","95.843","0.002","90","","1422.69","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C70 H76 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0532","0.0459","","","0.1269","0.1356","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031168","6.656","0.0011","15.213","0.003","8.0795","0.0014","90","","102.591","0.009","90","","798.4","0.2","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O3 S -","- C16 H16 Cl N O3 S -","- C32 H32 Cl2 N2 O6 S2 -","2","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","","1.54184","CuKα","","0.0298","0.0288","","","0.0729","0.0834","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031179","6.738","0.0003","10.5506","0.0004","19.1623","0.0008","90","","99.501","0.002","90","","1343.56","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AD-314","","","- C21 H41 N3 O4 Si2 -","- C21 H41 N3 O4 Si2 -","- C42 H82 N6 O8 Si4 -","2","1","","Diez-Martinez, Alba; Kim, Eun-Kyong; Krishnamurthy, Ramanarayanan","Hydrogen-Bonding Complexes of 5-Azauracil and Uracil Derivatives in Organic Medium.","The Journal of organic chemistry","2015","80","14","7066","7075","10.1021/acs.joc.5b00911","","","0.71073","MoKα","","0.0395","0.0359","","","0.099","0.1013","","","","","","1.009","","","","has coordinates","152880","2020-10-21","18:00:00",""
"4031199","11.44","","4.758","","5.67","","90","","91.42","","90","","308.532","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 Ba Si2 O6","","- Ba Na2 O6 Si2 -","- Ba Na2 O6 Si2 -","- Ba2 Na4 O12 Si4 -","2","1","","Gunawardane, R.P.; Cradwick, M.E.; Dent Glasser, L.S.","Crystal structure of Na2 Ba Si2 O6","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1973","1973","","2397","2400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031333","8.4016","0.0005","9.9253","0.0006","10.5431","0.0007","90","","97.2928","0.0009","90","","872.06","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.0407","0.0368","","","0.0868","0.09","","","","","","1.03","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031334","8.5648","0.0004","9.8551","0.0005","11.1777","0.0005","90","","98.4207","0.0007","90","","933.3","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.049","0.0442","","","0.1144","0.1185","","","","","","1.082","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031346","8.9434","0.0003","14.4008","0.0004","12.7837","0.0004","90","","93.624","0.002","90","","1643.15","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","2","","You, Yong; Wu, Zhi-Jun; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective Synthesis of 3,3-Disubstituted Oxindoles Bearing Two Different Heteroatoms at the C3 Position by Organocatalyzed Sulfenylation and Selenenylation of 3-Pyrrolyl-oxindoles.","The Journal of organic chemistry","2015","80","16","8470","8477","10.1021/acs.joc.5b01491","","","0.71073","MoKα","","0.046","0.0367","","","0.0825","0.0878","","","","","","1.024","","","","has coordinates","154696","2020-10-21","18:00:00",""
"4031409","14.437","","11.73","","9.819","","90","","104.79","","90","","1607.72","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","H2 Os3 (C O)7 (C S) S2","","- C8 H2 O7 Os3 S3 -","- C8 O7 Os3 S3 -","- C32 O28 Os12 S12 -","4","2","","Broadhurst, P.V.; Lewis, J.; Johnson, B.F.G.; Raithby, P.R.; Orpen, A.G.; Thornback, J.R.","Synthesis and characterization of a thiocarbonyl containing osmium cluster","Journal of Organometallic Chemistry","1980","187","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","154189","2020-10-21","18:00:00",""
"4031503","9.338","","16.369","","3.608","","90","","101.16","","90","","541.068","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Er4 O2 (O H)8 (H N O3)","","- Er4 H9 N O13 -","- Er4 N O13 -","- Er8 N2 O26 -","2","1","","Wolcott, H.A.; Milligan, W.O.; Beall, G.W.","Crystal structure of Er4 O2 (O H)8 (H N O3)","Journal of Inorganic and Nuclear Chemistry","1977","39","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031517","12.2554","0.0003","4.962","0.0001","15.2826","0.0003","90","","109.783","0.001","90","","874.51","0.03","104","2","104","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Zhang, Hanmo; Hay, E. Ben; Geib, Stephen J.; Curran, Dennis P.","Fates of imine intermediates in radical cyclizations ofN-sulfonylindoles and ene-sulfonamides","Beilstein Journal of Organic Chemistry","2015","11","","1649","","10.3762/bjoc.11.181","","","1.54178","CuKα","","0.0519","0.0439","","","0.1059","0.1092","","","","","","1.075","","","","has coordinates","157541","2020-10-21","18:00:00",""
"4031717","6.0165","0.0005","26.965","0.002","10.5795","0.0009","90","","95.344","0.003","90","","1708.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N2 O3 -","- C17 H23 N2 O3 -","- C68 H92 N8 O12 -","4","2","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0412","0.0373","","","0.0944","0.0975","","","","","","1.04","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031725","10.0744","0.0003","10.4491","0.0003","21.6791","0.0006","90","","95.102","0.002","90","","2273.08","0.11","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 S -","- C26 H21 Cl N2 O2 S -","- C104 H84 Cl4 N8 O8 S4 -","4","2","","Zeng, Xue-Mei; Meng, Chang-Yu; Bao, Jia-Xin; Xu, Dong-Cheng; Xie, Jian-Wu; Zhu, Wei-Dong","Enantioselective Construction of Polyfunctionalized Spiroannulated Dihydrothiophenes via a Formal Thio [3+2] Cyclization.","The Journal of organic chemistry","2015","80","22","11521","11528","10.1021/acs.joc.5b01357","","","0.71073","MoKα","","0.0487","0.0393","","","0.0867","0.0924","","","","","","1.071","","","","has coordinates","170810","2020-10-21","18:00:00",""
"4031750","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0373","0.0365","","","0.1129","0.1146","","","","","","0.786","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031754","8.058","0.001","14.09","0.001","12.214","0.001","90","","92.584","0.002","90","","1385.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(1-Acetyl-7-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C12 H19 N3 O2 S -","- C12 H19 N3 O2 S -","- C48 H76 N12 O8 S4 -","4","2","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0448","0.0394","","","0.101","0.1091","","","","","","1.094","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031762","6.5466","0.0002","9.2228","0.0003","20.4337","0.0007","90","","98.265","0.002","90","","1220.93","0.07","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Dai, Wei; Jiang, Xiao-Li; Tao, Ji-Yu; Shi, Feng","Application of 3-Methyl-2-vinylindoles in Catalytic Asymmetric Povarov Reaction: Diastereo- and Enantioselective Synthesis of Indole-Derived Tetrahydroquinolines.","The Journal of organic chemistry","2016","81","1","185","192","10.1021/acs.joc.5b02476","","","1.54178","CuKα","","0.0692","0.0685","","","0.201","0.2015","","","","","","1.105","","","","has coordinates","175798","2020-10-21","18:00:00",""
"4031765","12.2761","0.0003","7.87636","0.00018","16.8396","0.0004","90","","92.7067","0.0008","90","","1626.42","0.07","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0545","0.0397","","","0.0901","0.1008","","","","","","1.09","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4031771","8.912","0.0008","5.8904","0.0006","18.4113","0.0016","90","","102.422","0.003","90","","943.88","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O3 S -","- C19 H16 Br2 N2 O3 S -","- C38 H32 Br4 N4 O6 S2 -","2","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.024","0.0203","","","0.0385","0.0393","","","","","","1.035","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031800","11.5881","0.0002","12.315","0.0002","19.3155","0.0014","90","","100.473","0.007","90","","2710.5","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H77 Cl N4 Pd2 -","- C59 H77 Cl N4 Pd2 -","- C118 H154 Cl2 N8 Pd4 -","2","1","","Melvin, Patrick R.; Hazari, Nilay; Lant, Hannah M. C.; Peczak, Ian L.; Shah, Hemali P.","Comparison of the catalytic activity for the Suzuki‒Miyaura reaction of (η5-Cp)Pd(IPr)Cl with (η3-cinnamyl)Pd(IPr)(Cl) and (η3-1-t-Bu-indenyl)Pd(IPr)(Cl)","Beilstein Journal of Organic Chemistry","2015","11","","2476","","10.3762/bjoc.11.269","","","1.54178","CuKα","","0.0218","0.0218","","","0.0555","0.0556","","","","","","1.055","","","","has coordinates","173609","2020-10-21","18:00:00",""
"4031812","11.2623","0.0002","8.9195","0.0001","12.9754","0.0009","90","","114.397","0.008","90","","1187.04","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0602","0.0502","","","0.1154","0.1402","","","","","","1.111","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031831","30.3461","0.0012","5.8463","0.0002","34.0783","0.0013","90","","96.57","0.0019","90","","6006.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(S)-3-((2R,5S)-2-((S)-(4-bromophenyl)((4-iodophenyl)amino)methyl) -5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one","","- C33 H29 Br F I N2 O4 -","- C33 H29 Br F I N2 O4 -","- C264 H232 Br8 F8 I8 N16 O32 -","8","4","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0489","0.0446","","","0.0988","0.1014","","","","","","1.056","","","","has coordinates,has disorder","175696","2020-10-21","18:00:00",""
"4031833","5.4629","0.0005","48.1","0.004","10.9336","0.001","90","","97.337","0.002","90","","2849.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O9 -","- C34 H28 O9 -","- C136 H112 O36 -","4","2","","Lu, Tai-Ni; Chang, Che-Chien","Synthesis of 3-Deoxy-l-ketohexoses through Group Transfer.","The Journal of organic chemistry","2016","81","2","469","475","10.1021/acs.joc.5b02257","","","0.71073","MoKα","","0.0448","0.0358","","","0.0722","0.0779","","","","","","1.019","","","","has coordinates","175698","2020-10-21","18:00:00",""
"4031856","9.9158","0.0002","7.8871","0.0001","11.6418","0.0003","90","","112.716","0.003","90","","839.84","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C34 H34 N6 O4 S2 -","2","1","","Doherty, William; Evans, Paul","Aminooxylation Horner-Wadsworth-Emmons Sequence for the Synthesis of Enantioenriched γ-Functionalized Vinyl Sulfones.","The Journal of organic chemistry","2016","81","4","1416","1424","10.1021/acs.joc.5b02556","","","0.71073","MoKα","","0.0411","0.0368","","","0.0924","0.0963","","","","","","1.043","","","","has coordinates","177416","2020-10-21","18:00:00",""
"4031868","4.9375","0.0005","13.7996","0.0013","10.2372","0.0009","90","","99.431","0.01","90","","688.09","0.11","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C26 H28 Cl2 N6 O4 -","2","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0654","0.0622","","","0.1719","0.1803","","","","","","1.08","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031872","8.2006","0.0016","16.758","0.003","11.927","0.002","90","","106.06","0.03","90","","1575.1","0.5","182","2","182","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.1455","0.096","","","0.2345","0.3058","","","","","","0.984","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031874","9.223","0.0004","10.8655","0.0005","9.4767","0.0003","90","","115.29","0.002","90","","858.66","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0438","0.0407","","0.1043","0.1028","0.1043","","","","","","1.0084","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031878","8.7713","0.0004","8.2519","0.0003","12.8289","0.0005","90","","104.428","0.0019","90","","899.27","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.038","0.0346","","0.086","0.0839","0.086","","","","","","1.0081","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031894","10.2071","0.0007","16.4858","0.0012","12.6284","0.0009","90","","113.189","0.002","90","","1953.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O11 S -","- C15 H18 N4 O11 S -","- C60 H72 N16 O44 S4 -","4","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.0309","0.0307","","","0.0829","0.083","","","","","","1.026","","","","has coordinates","177230","2020-10-21","18:00:00",""
"4031897","6.4902","0.0001","16.0682","0.0002","19.2321","0.0003","90","","91.03","0.001","90","","2005.31","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","2","","Zhang, Yu-Chen; Zhu, Qiu-Ning; Yang, Xue; Zhou, Lu-Jia; Shi, Feng","Merging Chiral Brønsted Acid/Base Catalysis: An Enantioselective [4 + 2] Cycloaddition of o-Hydroxystyrenes with Azlactones.","The Journal of organic chemistry","2016","81","4","1681","1688","10.1021/acs.joc.6b00078","","","1.54178","CuKα","","0.0465","0.0454","","","0.1169","0.1179","","","","","","1.053","","","","has coordinates","177233","2020-10-21","18:00:00",""
"4031906","6.0855","0.0004","20.704","0.0013","9.2928","0.0006","90","","107.58","0.001","90","","1116.16","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O5 P -","- C23 H33 O5 P -","- C46 H66 O10 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.0255","0.0255","","","0.0655","0.0656","","","","","","1.069","","","","has coordinates","177243","2020-10-21","18:00:00",""
"4031907","7.9652","0.0009","9.6983","0.001","9.7159","0.001","90","","99.7908","0.0016","90","","739.61","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C28 H46 O8 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.022","0.022","","","0.0562","0.0562","","","","","","1.093","","","","has coordinates","177244","2020-10-21","18:00:00",""
"4031933","16.3112","0.0009","5.7559","0.0003","17.7642","0.001","90","","94.2846","0.0015","90","","1663.14","0.16","93","0.2","93","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","2","","Ubukata, Shino; Ito, Jun-Ichi; Oguri, Ryota; Nishiyama, Hisao","Asymmetric Three-Component Coupling Reaction of Alkyne, Enone, and Aldehyde Catalyzed by Chiral Phebox Ruthenium Catalysts.","The Journal of organic chemistry","2016","81","8","3347","3355","10.1021/acs.joc.6b00374","","","0.71073","MoKα","","0.0279","0.0265","","","0.0647","0.0653","","","","","","1.171","","","","has coordinates","182507","2020-10-21","18:00:00",""
"4031935","7.083","0.0002","7.1796","0.0002","11.8698","0.0003","90","","92.156","0.003","90","","603.19","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C28 H30 F2 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.0313","0.0295","","","0.0808","0.0827","","","","","","1.058","","","","has coordinates","181338","2020-10-21","18:00:00",""
"4031954","5.304","0.0003","6.0907","0.0003","16.9947","0.001","90","","91.708","0.005","90","","548.77","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C24 H18 Br2 O6 -","2","1","","Li, Yanan; Hu, Yanbin; Zhang, Sheng; Sun, Jianan; Li, Lijun; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Enantioselective Hetero-Diels-Alder Reaction of Danishefsky's Diene with Glyoxals.","The Journal of organic chemistry","2016","81","7","2993","2999","10.1021/acs.joc.5b02780","","","1.54184","CuKα","","0.0667","0.0661","","","0.1676","0.1681","","","","","","1.027","","","","has coordinates","181357","2020-10-21","18:00:00",""
"4031962","10.59","0.002","6.6123","0.0013","10.786","0.002","90","","95.25","0.03","90","","752.1","0.3","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0751","0.0683","","","0.1973","0.2361","","","","","","1.328","","","","has coordinates","181365","2020-10-21","18:00:00",""
"4031987","11.722","0.002","6.0787","0.0012","12.996","0.003","90","","114.44","0.03","90","","843","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0555","0.0422","","","0.1101","0.1135","","","","","","1.082","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4032002","10.3945","0.0006","14.251","0.0008","10.8994","0.0005","90","","104.558","0.002","90","","1562.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","2","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0905","0.0538","","","0.1613","0.2075","","","","","","0.83","","","","has coordinates","184154","2020-10-21","18:00:00",""
"4032004","6.2123","0.0009","11.7333","0.0017","9.8071","0.0014","90","","103.073","0.003","90","","696.32","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 B F4 N2 -","- C15 H15 B F4 N2 -","- C30 H30 B2 F8 N4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0556","0.0461","","","0.0951","0.1007","","","","","","1","","","","has coordinates","184156","2020-10-21","18:00:00",""
"4032009","13.376","0.002","24.659","0.004","24.538","0.004","90","","90.141","0.003","90","","8094","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C354 H418 Cl6 Mg8 N40 O8 S4 -","2","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.155","0.0893","","","0.193","0.2391","","","","","","1.012","","","","has coordinates","184160","2020-10-21","18:00:00",""
"4032017","8.7","0.002","15.83","0.004","9.797","0.002","90","","90.484","0.003","90","","1349.2","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H18 I4 N2 -","- C27 H18 I4 N2 -","- C54 H36 I8 N4 -","2","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0389","0.0313","","","0.0936","0.0982","","","","","","1.042","","","","has coordinates","184168","2020-10-21","18:00:00",""
"4032030","7.74","0.0015","15.74","0.003","10.99","0.002","90","","90.17","0.03","90","","1338.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.055","0.0405","","","0.0968","0.1043","","","","","","1.053","","","","has coordinates","184180","2020-10-21","18:00:00",""
"4032033","9.0167","0.0008","9.9451","0.0009","12.302","0.0011","90","","106.426","0.001","90","","1058.12","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N4 O5 -","- C23 H17 Cl N4 O5 -","- C46 H34 Cl2 N8 O10 -","2","1","","You, Yong; Wu, Zhi-Jun; Chen, Jian-Feng; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael Addition of 3-Pyrrolyloxindoles to β-Phthalimidonitroethene for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing Contiguous 3,α,β-Triamino Functionality.","The Journal of organic chemistry","2016","81","13","5759","5765","10.1021/acs.joc.6b00896","","","0.71073","MoKα","","0.0304","0.0289","","","0.0767","0.0778","","","","","","1.053","","","","has coordinates","184183","2020-10-21","18:00:00",""
"4032043","15.2019","0.0012","9.6219","0.0008","17.1451","0.0014","90","","101.007","0.001","90","","2461.7","0.3","185","2","185","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1706","0.0943","","","0.0972","0.1135","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4032055","8.9878","0.001","14.6983","0.0018","10.8669","0.0013","90","","90.983","0.003","90","","1435.4","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Cl N2 O5 -","- C31 H33 Cl N2 O5 -","- C62 H66 Cl2 N4 O10 -","2","1","","Torii, Masahiro; Kato, Kohsuke; Uraguchi, Daisuke; Ooi, Takashi","Chiral ammonium betaine-catalyzed asymmetric Mannich-type reaction of oxindoles.","Beilstein journal of organic chemistry","2016","12","","2099","2103","10.3762/bjoc.12.199","","","0.71075","MoKα","","0.0244","0.0241","","","0.0626","0.0628","","","","","","1.08","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032075","14.9261","0.0002","12.3367","0.0001","18.0148","0.0002","90","","107.369","0.001","90","","3165.97","0.06","108.1","","108.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N O5 -","- C40 H37 N O5 -","- C160 H148 N4 O20 -","4","2","","Wang, Chang; Jia, Hao; Zhang, Cheng; Gao, Zhenzhen; Zhou, Leijie; Yuan, Chunhao; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Enantioselective [2+4] Cycloaddition to Synthesize Pyrrolidin-2-one Fused Dihydropyrans Using α-Substituted Allenoates as C2 Synthons.","The Journal of organic chemistry","2017","82","1","633","641","10.1021/acs.joc.6b02659","","","1.5418","CuKα","","0.0394","0.0378","","","0.0982","0.0999","","","","","","1.026","","","","has coordinates","193548","2020-10-21","18:00:00",""
"4032078","4.6659","0.0003","11.9898","0.0009","13.673","0.001","90","","90.47","0.004","90","","764.89","0.09","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0414","0.0356","","0.0832","0.0804","0.0832","","","","","","1.0336","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032079","4.7176","0.0002","11.731","0.0004","13.7171","0.0006","90","","90.035","0.004","90","","759.13","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0802","0.0801","","0.2203","0.2202","0.2203","","","","","","1.0058","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032081","15.671","0.0007","9.7549","0.0003","28.7604","0.0016","90","","104.987","0.006","90","","4247","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","4","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.1219","0.1083","","","0.296","0.3083","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032125","6.3021","0.0006","15.8764","0.0019","9.4266","0.0011","90","","103.133","0.012","90","","918.51","0.18","294.73","0.1","294.73","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","1.54184","CuKα","","0.0622","0.0497","","","0.1207","0.1441","","","","","","1.103","","","","has coordinates","193579","2020-10-21","18:00:00",""
"4032136","10.928","0.002","6.432","0.0013","19.345","0.004","90","","95.38","0.03","90","","1353.7","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","0.71073","MoKα","","0.1663","0.0742","","","0.0789","0.0978","","","","","","1.001","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032143","12.88956","0.00005","18.7538","0.00007","15.37317","0.00005","90","","95.7738","0.0003","90","","3697.28","0.02","169.91","0.1","169.91","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O6 Si -","- C37 H52 N2 O6 Si -","- C148 H208 N8 O24 Si4 -","4","2","","Suh, Young-Ger; Lim, Changjin; Sim, Jaehoon; Lee, Jae Kyun; Surh, Young-Joon; Paek, Seung-Mann","Construction of the Azacyclic Core of Tabernaemontanine-Related Alkaloids via Tandem Reformatsky-Aza-Claisen Rearrangement.","The Journal of organic chemistry","2017","82","3","1464","1470","10.1021/acs.joc.6b02648","","x-ray","1.54184","CuKα","","0.0479","0.0472","","","0.1245","0.1254","","","","","","1.069","","","","has coordinates,has disorder","193592","2020-10-21","18:00:00",""
"4032158","9.5902","0.0002","9.9373","0.0003","10.7178","0.0003","90","","95.509","0.001","90","","1016.7","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 -","- C23 H27 N3 O3 -","- C46 H54 N6 O6 -","2","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0252","0.025","","","0.066","0.067","","","","","","1.079","","","","has coordinates","193565","2020-10-21","18:00:00",""
"4032176","4.0329","0.0008","12.808","0.002","14.479","0.004","90","","91.794","0.008","90","","747.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","1","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.0584","0.042","","","0.0945","0.1071","","","","","","1.095","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032197","11.1054","0.0003","13.0801","0.0004","14.4592","0.0004","90","","92.462","0.001","90","","2098.4","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","2","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0265","0.0265","","","0.0674","0.0675","","","","","","1.06","","","","has coordinates","194858","2020-10-21","18:00:00",""
"4032207","13.2276","0.0004","13.4508","0.0003","13.5559","0.0004","90","","118.298","0.004","90","","2123.65","0.13","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H37.5 B F10 N4.5 O2 Rh -","- C41 H37.5 B F10 N4.5 O2 Rh -","- C82 H75 B2 F20 N9 O4 Rh2 -","2","1","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.0351","0.0334","","","0.0876","0.0897","","","","","","1.058","","","","has coordinates,has disorder","193209","2020-10-21","18:00:00",""
"4032243","8.1146","0.0011","19.14","0.003","11.5187","0.0016","90","","110.431","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(2-(5-bromo-2-methyl-1H-indol-3-yl)-1-phenylethyl)acetamide","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C76 H76 Br4 N8 O4 -","4","2","","Salikov, Rinat F.; Trainov, Konstantin P.; Levina, Anastasia A.; Belousova, Irina K.; Medvedev, Michael G.; Tomilov, Yury V.","Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement.","The Journal of organic chemistry","2017","82","1","790","795","10.1021/acs.joc.6b02578","","","0.71073","MoKα","","0.0567","0.0382","","","0.0718","0.0772","","","","","","0.898","","","","has coordinates","193241","2020-10-21","18:00:00",""
"4032249","20.8628","0.0009","21.7014","0.0013","22.9812","0.001","90","","116.1","0.002","90","","9343.8","0.8","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C198 H211 N24 O21.5 S9 -","- C198 H210 N24 O21.5 S9 -","- C396 H420 N48 O43 S18 -","2","1","","Wang, Zhenzhen; Nour, Hany F.; Roch, Loïc M; Guo, Minjie; Li, Wenjiao; Baldridge, Kim K.; Sue, Andrew C. H.; Olson, Mark A.","[3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles.","The Journal of organic chemistry","2017","82","5","2472","2480","10.1021/acs.joc.6b02868","","","0.71073","MoKα","","0.0424","0.0391","","","0.1013","0.1036","","","","","","1.037","","","","has coordinates,has disorder","193247","2020-10-21","18:00:00",""
"4032250","12.3866","0.00018","27.0237","0.0004","16.157","0.0003","90","","103.096","0.0015","90","","5267.6","0.15","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H72 Cl N O11 P -","- C49 Cl N1.5 O10.5 P -","- C196 Cl4 N6 O42 P4 -","4","2","","Liu, Shuang; Li, Yuming; Yin, Zhiyu; Yu, Qiuli; Miao, Zhiwei","Diastereoselective Synthesis of Adjacent P,C-Stereogenic β-N-Glycosidic Linked α-Aminophosphinates.","The Journal of organic chemistry","2017","82","5","2481","2488","10.1021/acs.joc.6b02877","","x-ray","0.71073","MoKα","","0.074","0.0694","","","0.2041","0.208","","","","","","1.622","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032270","6.826","0.008","7.652","0.009","20.88","0.03","90","","92.8","0.02","90","","1089","2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N6 S -","- C22 H29 Br N6 S -","- C44 H58 Br2 N12 S2 -","2","1","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","x-ray","0.71073","MoKα","","0.2198","0.0994","","","0.197","0.2507","","","","","","0.98","","","","has coordinates","193258","2020-10-21","18:00:00",""
"4032271","11.376","0.0018","7.9619","0.0013","18.978","0.003","90","","100.026","0.004","90","","1692.7","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N4 O2 S -","- C15 H19 F3 N4 O2 S -","- C60 H76 F12 N16 O8 S4 -","4","2","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","","0.71073","MoKα","","0.1386","0.0713","","","0.1431","0.1756","","","","","","1.013","","","","has coordinates,has disorder","193259","2020-10-21","18:00:00",""
"4032276","7.4752","0.0008","23.748","0.003","8.0038","0.001","90","","91.153","0.003","90","","1420.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0671","0.0464","","","0.1049","0.1162","","","","","","0.965","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032282","11.1928","0.0003","5.2635","0.0001","15.5946","0.0004","90","","109.195","0.001","90","","867.65","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C38 H32 N4 O8 S2 -","2","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.036","0.0327","","","0.0861","0.0953","","","","","","0.329","","","","has coordinates","193266","2020-10-21","18:00:00",""
"4032284","9.3489","0.0005","15.6494","0.0009","18.4534","0.001","90","","102.884","0.002","90","","2631.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","16061201","","","- C29 H34 O4 S -","- C29 H34 O4 S -","- C116 H136 O16 S4 -","4","2","","Li, Zhen; Chen, Quan; Mayer, Peter; Mayr, Herbert","Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions.","The Journal of organic chemistry","2017","82","4","2011","2017","10.1021/acs.joc.6b02844","","","0.71073","MoKα","","0.046","0.0419","","","0.1028","0.105","","","","","","1.083","","","","has coordinates","193268","2020-10-21","18:00:00",""
"4032308","5.6268","0.0011","17.614","0.003","9.1708","0.0017","90","","105.33","0.002","90","","876.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","cs35pt","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Sousa, Cristina E. A.; Ribeiro, António M P; Gil Fortes, António; Cerqueira, Nuno M. F. S. A.; Alves, Maria J.","Total Facial Discrimination of 1,3-Dipolar Cycloadditions in a d-Erythrose 1,3-Dioxane Template: Computational Studies of a Concerted Mechanism.","The Journal of organic chemistry","2017","82","2","982","991","10.1021/acs.joc.6b02518","","x-ray","0.71073","MoKα","","0.039","0.0324","","","0.0749","0.0785","","","","","","1.064","","","","has coordinates","193290","2020-10-21","18:00:00",""
"4032310","6.5366","0.0004","9.8897","0.0006","13.2763","0.001","90","","96.641","0.002","90","","852.49","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N5 O4 -","- C17 H14 F N5 O4 -","- C34 H28 F2 N10 O8 -","2","1","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1331","0.0662","","","0.1143","0.1362","","","","","","1.008","","","","has coordinates","193292","2020-10-21","18:00:00",""
"4032311","13.5743","0.0005","7.6627","0.0004","18.0825","0.0011","90","","107.822","0.0017","90","","1790.61","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N5 O4 -","- C17 H14 Br N5 O4 -","- C68 H56 Br4 N20 O16 -","4","2","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1263","0.0797","","","0.1501","0.1697","","","","","","1.096","","","","has coordinates","193293","2020-10-21","18:00:00",""
"4032319","8.7897","0.0001","12.307","0.0002","26.0231","0.0003","90","","93.932","0.001","90","","2808.42","0.06","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","2","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0432","0.0402","","","0.1223","0.1269","","","","","","1.031","","","","has coordinates","193301","2020-10-21","18:00:00",""
"4032320","9.111","0.0001","9.8829","0.0001","14.9752","0.0002","90","","100.127","0.001","90","","1327.41","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0358","0.0355","","","0.1036","0.104","","","","","","1.06","","","","has coordinates","193302","2020-10-21","18:00:00",""
"4032321","5.9648","0.0003","34.2029","0.0015","10.1737","0.0006","90","","91.052","0.005","90","","2075.22","0.18","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.069","0.06","","","0.1579","0.1676","","","","","","1.087","","","","has coordinates","193303","2020-10-21","18:00:00",""
"4032335","8.3667","0.0002","5.5161","0.0002","15.6625","0.0004","90","","102.589","0.001","90","","705.47","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0366","0.0357","","","0.1033","0.1048","","","","","","1.115","","","","has coordinates","193312","2020-10-21","18:00:00",""
"4032336","7.4341","0.0001","14.7479","0.0002","13.3819","0.0001","90","","91.31","","90","","1466.77","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","2","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0338","0.0331","","","0.0847","0.0901","","","","","","1.095","","","","has coordinates","193313","2020-10-21","18:00:00",""
"4032339","5.82677","0.00011","9.95071","0.00018","13.6194","0.0003","90","","101.711","0.0018","90","","773.22","0.03","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N0.5 O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Yong; Wang, Qiuyan; Wang, Ting; He, Huan; Yang, Wenqiang; Zhang, Xinhao; Cai, Qian","Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization.","The Journal of organic chemistry","2017","82","3","1458","1463","10.1021/acs.joc.6b02646","","x-ray","1.54184","CuKα","","0.0308","0.0302","","","0.0782","0.0796","","","","","","1.101","","","","has coordinates","193316","2020-10-21","18:00:00",""
"4032361","11.8102","0.0002","10.9946","0.0002","16.4247","0.0003","90","","108.344","0.002","90","","2024.35","0.07","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Fe O4 P -","- C22 H29 Fe O4 P -","- C88 H116 Fe4 O16 P4 -","4","2","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0344","0.0322","","","0.0847","0.0863","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032370","5.9174","0.0014","20.176","0.005","10.449","0.002","90","","104.909","0.003","90","","1205.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O3 P -","- C23 H35 N4 O3 P -","- C46 H70 N8 O6 P2 -","2","1","","Qiao, Shuo; Wilcox, Cody B.; Unruh, Daniel K.; Jiang, Bo; Li, Guigen","Asymmetric [3 + 2] Cycloaddition of Chiral N-Phosphonyl Imines with Methyl Isocyanoacetate for Accessing to 2-Imidazolines with Switchable Stereoselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03068","","","0.71073","MoKα","","0.0589","0.0424","","","0.0897","0.0965","","","","","","1.003","","","","has coordinates","194103","2020-10-21","18:00:00",""
"4032377","8.6464","0.0005","5.6834","0.0003","12.7817","0.0007","90","","99.604","0.001","90","","619.3","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C30 H20 F6 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0333","0.0333","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032378","4.2186","0.0009","9.333","0.002","13.852","0.003","90","","93.134","0.004","90","","544.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C28 H20 F2 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0497","0.0346","","","0.0712","0.0769","","","","","","1.059","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032381","14.0387","0.001","5.751","0.0004","16.2336","0.0011","90","","98.473","0.005","90","","1296.34","0.16","90","0.5","90","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C54 H30 B2 Br4 Cl4 F4 N4 O6 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","1.54184","CuKα","","0.1175","0.1002","","","0.2457","0.2689","","","","","","1.1","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032407","7.03801","0.00006","16.8278","0.0001","25.192","0.0002","90","","92.2063","0.0006","90","","2981.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Kingston, Cian; Guiry, Patrick J.","Enantiodivergent Synthesis of Tertiary α-Aryl 1-Indanones: Evidence Toward Disparate Mechanisms in the Palladium-Catalyzed Decarboxylative Asymmetric Protonation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00303","","","1.54184","CuKα","","0.0568","0.0565","","","0.1512","0.1516","","","","","","1.044","","","","has coordinates,has disorder","194551","2020-10-21","18:00:00",""
"4032439","10.6223","0.0005","11.869","0.0006","16.7855","0.0007","90","","104.442","0.002","90","","2049.38","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H57 N13 O9 -","- C34 H57 N13 O9 -","- C68 H114 N26 O18 -","2","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0568","0.0425","","","0.1061","0.1147","","","","","","1.023","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032441","10.5904","0.0004","6.8559","0.0003","12.0499","0.0004","90","","109.077","0.002","90","","826.85","0.06","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Hrdina, Radim; Larrosa, Marta; Logemann, Christian","Triflic Acid Promoted Decarboxylation of Adamantane-oxazolidine-2-one: Access to Chiral Amines and Heterocycles.","The Journal of organic chemistry","2017","82","9","4891","4899","10.1021/acs.joc.7b00711","","","0.71073","MoKα","","0.0485","0.0383","","","0.0892","0.0927","","","","","","1.039","","","","has coordinates","197463","2020-10-21","18:00:00",""
"4032448","13.032","0.002","5.5995","0.001","13.2174","0.0017","90","","99.231","0.014","90","","952","0.3","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H18.504 N O4 S -","- C44 H37.008 N2 O8 S2 -","2","1","","Chen, Ying-Han; Sun, Xue-Li; Guan, Hua-Shi; Liu, Yan-Kai","The Diversity-Oriented One-Pot Synthesis to Construct Functionalized Chroman-2-one Derivatives and Other Heterocyclic Compounds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00461","","","1.54178","CuKα","","0.137","0.076","","","0.1664","0.218","","","","","","1.018","","","","has coordinates,has disorder","195726","2020-10-21","18:00:00",""
"4032529","10.847","0.0007","7.3231","0.0005","13.5873","0.0009","90","","95.06","0.002","90","","1075.08","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C48 H50 Br2 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0657","0.0424","","","0.083","0.0926","","","","","","1.04","","","","has coordinates","197325","2020-10-21","18:00:00",""
"4032530","12.0769","0.0016","6.0438","0.0008","14.3621","0.0018","90","","112.912","0.004","90","","965.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0957","0.0523","","","0.0992","0.121","","","","","","1.037","","","","has coordinates","197326","2020-10-21","18:00:00",""
"4032536","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Siegel, Dionicio","Synthetic Route Development for the Laboratory Preparation of Eupalinilide E.","The Journal of organic chemistry","2017","82","9","4640","4653","10.1021/acs.joc.7b00266","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","197332","2020-10-21","18:00:00",""
"4032539","5.3002","0.0002","15.1222","0.0007","10.5712","0.0005","90","","93.512","0.001","90","","845.7","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Awada, Hawraà; Grison, Claire M.; Charnay-Pouget, Florence; Baltaze, Jean-Pierre; Brisset, François; Guillot, Régis; Robin, Sylvie; Hachem, Ali; Jaber, Nada; Naoufal, Daoud; Yazbeck, Ogaritte; Aitken, David J.","Conformational Effects through Hydrogen Bonding in a Constrained γ-Peptide Template: From Intraresidue Seven-Membered Rings to a Gel-Forming Sheet Structure.","The Journal of organic chemistry","2017","82","9","4819","4828","10.1021/acs.joc.7b00494","","x-ray","0.71073","MoKα","","0.033","0.0298","","","0.0676","0.0695","","","","","","1.037","","","","has coordinates","197335","2020-10-21","18:00:00",""
"4032565","8.649","0.002","11.121","0.003","14.546","0.004","90","","94.976","0.007","90","","1393.8","0.6","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H29 N3 O6 -","- C32 H29 N3 O6 -","- C64 H58 N6 O12 -","2","1","","Selva, Verónica; Larrañaga, Olatz; Castelló, Luis M; Nájera, Carmen; Sansano, José M; de Cózar, Abel","Diastereoselective [3 + 2] vs [4 + 2] Cycloadditions of Nitroprolinates with α,β-Unsaturated Aldehydes and Electrophilic Alkenes: An Example of Total Periselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00903","","","0.71073","MoKα","","0.2005","0.0662","","","0.1009","0.1389","","","","","","0.919","","","","has coordinates","197653","2020-10-21","18:00:00",""
"4032568","8.9497","0.0003","42.7991","0.0018","11.4651","0.0004","90","","107.31","0.004","90","","4192.7","0.3","147","1","147","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H48 N2 O9 S2 -","- C47 H48 N2 O9 S2 -","- C188 H192 N8 O36 S8 -","4","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0769","0.0728","","","0.181","0.184","","","","","","1.084","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032577","10.48005","0.00013","24.7093","0.0003","12.42655","0.00018","90","","112.802","0.0016","90","","2966.42","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N5 O4 -","- C33 H31 N5 O4 -","- C132 H124 N20 O16 -","4","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0356","0.0325","","","0.0831","0.0856","","","","","","1.023","","","","has coordinates,has disorder","197742","2020-10-21","18:00:00",""
"4032592","5.4384","0.0009","7.1721","0.0012","22.371","0.003","90","","94.674","0.009","90","","869.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0554","0.0469","","","0.1252","0.1431","","","","","","1.13","","","","has coordinates,has disorder","199583","2020-10-21","18:00:00",""
"4032630","11.538","0.0004","7.1373","0.0003","13.3704","0.0005","90","","105.677","0.004","90","","1060.1","0.07","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cu F6 N3 P -","- C18 H25 Cu F6 N3 P -","- C36 H50 Cu2 F12 N6 P2 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0381","0.0347","","","0.0937","0.0971","","","","","","1.067","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032633","12.91725","0.0001","17.87891","0.00015","22.3041","0.0002","90","","102.634","0.0008","90","","5026.33","0.07","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52.56 H73.11 Cu F6 N4 O2.85 P -","- C52.556 H73.112 Cu F6 N4 O2.852 P -","- C210.224 H292.448 Cu4 F24 N16 O11.408 P4 -","4","2","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0379","0.036","","","0.096","0.0979","","","","","","1.031","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032653","7.43","0.0003","9.7667","0.0003","12.1277","0.0003","90","","92.279","0.003","90","","879.37","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0409","0.0378","","0.0926","0.091","0.0926","","","","","","1.0179","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032662","7.2003","0.0002","8.4682","0.0002","9.4258","0.0003","90","","91.1279","0.0017","90","","574.61","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0509","0.0478","","0.1564","0.1524","0.1564","","","","","","1.0289","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032663","8.4949","0.0004","5.9702","0.0002","9.384","0.0004","90","","95.383","0.004","90","","473.82","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0465","0.0454","","0.1297","0.1288","0.1297","","","","","","1.0281","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032665","6.9303","0.0002","7.7696","0.0002","8.6272","0.0002","90","","92.403","0.002","90","","464.13","0.02","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0375","0.0373","","0.1167","0.1161","0.1167","","","","","","1.0436","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032672","13.5637","0.0005","6.4493","0.0003","13.7872","0.0006","90","","95.412","0.001","90","","1200.68","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C54 H64 O16 -","2","1","","Huang, Zhongping; Williams, Russell B.; O'Neil-Johnson, Mark; Eldridge, Gary R.; Mangette, John E.; Starks, Courtney M.","A Total Synthesis of Bifidenone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00202","","","1.54178","CuKα","","0.0242","0.0239","","","0.0626","0.0629","","","","","","1.044","","","","has coordinates","198981","2020-10-21","18:00:00",""
"4032676","10.14845","0.00009","10.61199","0.00007","10.80864","0.0001","90","","106.88","0.0009","90","","1113.89","0.017","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0263","0.0258","","0.0669","0.0663","0.0669","","","","","","1.0262","","","","has coordinates","200705","2020-10-21","18:00:00",""
"4032679","9.6557","0.0003","7.6318","0.0003","12.9108","0.0004","90","","95.301","0.002","90","","947.33","0.06","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl3 N O7 S -","- C15 H16 Cl3 N O7 S -","- C30 H32 Cl6 N2 O14 S2 -","2","1","","Achary, Raghavendra; Jung, In-A; Son, Se-Mi; Lee, Hyeon-Kyu","Stereoselective Synthesis of Functionalized 1,3-Disubstituted Isoindolines via Rh(III)-Catalyzed Tandem Oxidative Olefination-Cyclization of 4-Aryl-cyclic Sulfamidate-5-Carboxylates.","The Journal of organic chemistry","2017","82","14","7223","7233","10.1021/acs.joc.7b00799","","","0.71073","MoKα","","0.0379","0.0354","","","0.0949","0.0965","","","","","","1.08","","","","has coordinates","199543","2020-10-21","18:00:00",""
"4032683","11.6518","0.0012","10.0242","0.001","24.692","0.003","90","","103.209","0.002","90","","2807.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H22 Cl2 N4 O Pd -","- C35 H22 Cl2 N4 O Pd -","- C140 H88 Cl8 N16 O4 Pd4 -","4","2","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0481","0.0426","","","0.1034","0.1075","","","","","","1.007","","","","has coordinates","200679","2020-10-21","18:00:00",""
"4032709","6.0771","0.0002","8.0868","0.0003","21.8099","0.0009","90","","94.06","0.007","90","","1069.14","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 Fe N O3 -","- C26 H27 Fe N O3 -","- C52 H54 Fe2 N2 O6 -","2","1","","Koizumi, Akihiro; Harada, Masato; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Chiral Silver Complex-Catalyzed Diastereoselective and Enantioselective Michael Addition of 1-Pyrroline-5-carboxylates to α-Enones.","The Journal of organic chemistry","2017","82","17","8927","8932","10.1021/acs.joc.7b01335","","","0.71075","MoKα","","0.0456","0.0421","","","0.1095","0.111","","","","","","1","","","","has coordinates","200289","2020-10-21","18:00:00",""
"4032720","12.353","0.002","17.154","0.003","16.604","0.003","90","","102.32","0.002","90","","3437.4","1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Cl N3 O4 S2 -","- C28 H56 Cl N3 O4 S2 -","- C112 H224 Cl4 N12 O16 S8 -","4","2","","Li, Yao; Yang, Guo-Hui; Shen, Ye-Ye; Xue, Xiao-Song; Li, Xin; Cheng, Jin-Pei","N-tert-Butyl Sulfinyl Squaramide Receptors for Anion Recognition through Assisted tert-Butyl C-H Hydrogen Bonding.","The Journal of organic chemistry","2017","82","16","8662","8667","10.1021/acs.joc.7b01634","","","0.71073","MoKα","","0.0631","0.0591","","","0.1346","0.1375","","","","","","1.101","","","","has coordinates","200300","2020-10-21","18:00:00",""
"4032734","8.0848","0.0001","13.4851","0.0001","14.869","0.0002","90","","103.63","0.001","90","","1575.43","0.03","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H31 B N O P -","- C11 H31 B N O P -","- C44 H124 B4 N4 O4 P4 -","4","2","","Salomó, Ernest; Prades, Amparo; Riera, Antoni; Verdaguer, Xavier","Dialkylammonium tert-Butylmethylphosphinites: Stable Intermediates for the Synthesis of P-Stereogenic Ligands.","The Journal of organic chemistry","2017","82","13","7065","7069","10.1021/acs.joc.7b01180","","","0.7107","MoKα","","0.0381","0.0298","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4032740","11.851","0.002","6.5036","0.0013","17.863","0.004","90","","108.35","0.03","90","","1306.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hou, Ling-Li; Shi, Yong; Zhang, Zhi-Dan; Wu, Jing-Jing; Yang, Qing-Xiong; Tian, Wei-Sheng","Divergent Synthesis of Solanidine and 22-epi-Solanidine.","The Journal of organic chemistry","2017","82","14","7463","7469","10.1021/acs.joc.7b01133","","","1.54178","CuKα","","0.0424","0.0421","","","0.1137","0.1143","","","","","","1.025","","","","has coordinates","200320","2020-10-21","18:00:00",""
"4032745","16.6953","0.0002","9.71833","0.00014","24.2042","0.0004","90","","107.522","0.0015","90","","3744.93","0.1","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H98 Cu2 F12 N8 O P2 -","- C68 H98 Cu2 F12 N8 O P2 -","- C136 H196 Cu4 F24 N16 O2 P4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0463","0.0404","","","0.1024","0.1084","","","","","","1.028","","","","has coordinates,has disorder","200325","2020-10-21","18:00:00",""
"4032752","8.6541","0.0002","10.3345","0.0002","14.6137","0.0004","90","","96.5887","0.0018","90","","1298.36","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","1","0.5","","Ren, Ji-Wei; Wang, Jing; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","L-Pyroglutamic Sulphonamide as Hydrogen-Bonding Organocatalyst: Enantioselective Diels-Alder Cyclization to Construct Carbazolespirooxindoles.","The Journal of organic chemistry","2017","82","12","6441","6449","10.1021/acs.joc.7b00733","","","0.71073","MoKα","","0.0415","0.0368","","","0.0982","0.1004","","","","","","1.056","","","","has coordinates","200332","2020-10-21","18:00:00",""
"4032779","8.9326","0.0002","13.1164","0.0003","14.6638","0.0004","90","0","93.0302","0.0012","90","0","1715.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","2","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0342","0.0308","","","0.0699","0.0724","","","","","","1.1","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032782","9.2074","0.0017","11.5642","0.0005","9.5785","0.0018","90","","118.017","0.011","90","","900.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C34 H52 O12 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh G.; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized β-Lactones by NHC-Catalyzed Aldol Lactonization of Ketoacids.","The Journal of organic chemistry","2017","82","17","9223","9228","10.1021/acs.joc.7b01526","","","1.54184","CuKα","","0.0226","0.0226","","","0.0652","0.0653","","","","","","1.019","","","","has coordinates","200453","2020-10-21","18:00:00",""
"4032815","12.2306","0.0004","9.0943","0.0003","13.4271","0.0005","90","","114.092","0.0008","90","","1363.38","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,2R,4S,5R)-2-((S)-hydroxy(1-methylquinolin-1-ium-4-yl) methyl)-1-(4-nitrobenzyl)-5-vinylquinuclidin-1-ium Iodide Bromide Monohydrate","","- C27 H33 Br I N3 O4 -","- C27 H33 Br I N3 O4 -","- C54 H66 Br2 I2 N6 O8 -","2","1","","He, Cyndi Qixin; Simon, Adam; Lam, Yu-Hong; Brunskill, Andrew P. J.; Yasuda, Nobuyoshi; Tan, Jiajing; Hyde, Alan M.; Sherer, Edward C.; Houk, K. N.","Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.","The Journal of organic chemistry","2017","82","16","8645","8650","10.1021/acs.joc.7b01577","","","1.54178","CuKα","","0.0474","0.0474","","","0.1256","0.1256","","","","","","1.064","","","","has coordinates","200463","2020-10-21","18:00:00",""
"4032823","8.57829","0.00016","18.2622","0.0003","15.8812","0.0003","90","","95.524","0.007","90","","2476.37","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O3 Si -","- C24 H29 F3 N2 O3 Si -","- C96 H116 F12 N8 O12 Si4 -","4","2","","Matsuzawa, Akinobu; Noda, Hidetoshi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Addition of an α-CF3 Amide to Arylglyoxal Hydrates.","The Journal of organic chemistry","2017","82","15","8304","8308","10.1021/acs.joc.7b01381","","","1.54187","CuKα","","0.0394","0.036","","","0.0949","0.0998","","","","","","1.123","","","","has coordinates","200469","2020-10-21","18:00:00",""
"4032825","7.3153","0.0001","31.4358","0.0003","7.8245","0.0001","90","","94.8743","0.0008","90","","1792.83","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H23 O7.5 -","- C18 H23 O7.5 -","- C72 H92 O30 -","4","2","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0309","0.0306","","0.0788","0.0786","0.0788","","","","","","1","","","","has coordinates","200471","2020-10-21","18:00:00",""
"4032840","7.0234","0.0003","26.33","0.0009","7.4708","0.0003","90","","90.907","0.004","90","","1381.37","0.09","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","2","","Zhou, Bo; Li, Long; Liu, Xin; Tan, Tong-De; Liu, Jinxian; Ye, Long-Wu","Yttrium-Catalyzed Tandem Intermolecular Hydroalkoxylation/Claisen Rearrangement.","The Journal of organic chemistry","2017","82","19","10149","10157","10.1021/acs.joc.7b01612","","x-ray","1.54184","CuKα","","0.0514","0.0435","","","0.0931","0.1007","","","","","","1.016","","","","has coordinates","202710","2020-10-21","18:00:00",""
"4032849","7.3223","0.0013","5.9112","0.0009","16.224","0.005","90","","93.79","0.02","90","","700.7","0.3","291.13","0.1","291.13","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","x-ray","0.71073","MoKα","","0.315","0.1057","","","0.13","0.216","","","","","","0.979","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032851","5.9265","0.0003","11.8003","0.0006","10.0928","0.0006","90","","98.24","0.006","90","","698.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F3 N O3 -","- C14 H16 F3 N O3 -","- C28 H32 F6 N2 O6 -","2","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0497","0.0436","","","0.1134","0.1192","","","","","","1.062","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032854","9.9857","0.0006","14.0575","0.0007","11.098","0.0006","90","","109.932","0.007","90","","1464.55","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C56 H72 F12 N4 O8 -","4","2","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0619","0.0524","","","0.1372","0.1522","","","","","","1.05","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032869","6.01068","0.00012","50.8074","0.0009","10.7946","0.00019","90","","106.165","0.0004","90","","3166.19","0.1","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 Br O5 -","- C35 H47 Br O5 -","- C140 H188 Br4 O20 -","4","2","","Kikuchi, Takashi; Horii, Yui; Maekawa, Yukina; Masumoto, Yuki; In, Yasuko; Tomoo, Koji; Sato, Hiroyasu; Yamano, Akihito; Yamada, Takeshi; Tanaka, Reiko","Pleurocins A and B: Unusual 11(9 →7)-abeo-Ergostanes and Eringiacetal B: A 13,14-seco-13,14-Epoxyergostane from Fruiting Bodies of Pleurotus eryngii and Their Inhibitory Effects on Nitric Oxide Production.","The Journal of organic chemistry","2017","82","19","10611","10616","10.1021/acs.joc.7b01259","","","1.54187","CuKα","","0.0895","0.0879","","","0.2491","0.2524","","","","","","1.049","","","","has coordinates","202708","2020-10-21","18:00:00",""
"4032873","10.5287","0.0004","9.9246","0.0004","14.8794","0.0006","90","","104.141","0.002","90","","1507.68","0.1","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","x-ray","0.71073","MoKα","","0.0413","0.0355","","","0.0832","0.0869","","","","","","1.0526","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032878","8.631","0.0004","6.1744","0.0003","20.4789","0.001","90","","101.241","0.001","90","","1070.41","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0278","0.0277","","","0.0738","0.0739","","","","","","1.06","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032879","12.6744","0.0007","5.1327","0.0003","16.2796","0.0009","90","","110.498","0.002","90","","992","0.1","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O2 -","- C26 H26 O2 -","- C52 H52 O4 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0274","0.0271","","","0.0711","0.0714","","","","","","1.034","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032886","11.812","0.006","6.112","0.003","14.148","0.008","90","","105.405","0.006","90","","984.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C38 H48 N4 O10 S2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.0486","0.0396","","","0.095","0.1017","","","","","","1.033","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032887","6.734","0.007","18.45","0.019","12.022","0.012","90","","98.661","0.015","90","","1477","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 S Si -","- C29 H37 N O5 S Si -","- C58 H74 N2 O10 S2 Si2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.1014","0.0524","","","0.0906","0.1109","","","","","","1.025","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032916","10.935","0.003","15.723","0.004","12.065","0.003","90","","109.012","0.003","90","","1961.2","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C76 H116 N4 O12 S4 -","4","2","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1237","0.0555","","","0.1045","0.1382","","","","","","1.038","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032918","10.136","0.01","6.549","0.007","17.967","0.018","90","","92.66","0.06","90","","1191","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","amcterbutilo","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","","Molina, Alba; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric 1,3-Dipolar Cycloaddition/Hydroamination Sequence: Expeditious Access to Enantioenriched Pyrroloisoquinoline Derivatives.","The Journal of organic chemistry","2017","82","20","11238","11246","10.1021/acs.joc.7b01927","","","0.71073","MoKα","","0.1633","0.0697","","","0.1536","0.1957","","","","","","1.006","","","","has coordinates","202722","2020-10-21","18:00:00",""
"4032921","11.504","0.008","3.842","0.002","13.114","0.01","90","","112.364","0.014","90","","536","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H7 Cl O S -","- C14 H7 Cl O S -","- C28 H14 Cl2 O2 S2 -","2","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0607","0.0518","","","0.0866","0.0891","","","","","","1.156","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032938","10.373","0.005","8.148","0.004","11.635","0.006","90","","104.787","0.011","90","","950.8","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1331","0.068","","","0.1302","0.159","","","","","","0.974","","","","has coordinates","202734","2020-10-21","18:00:00",""
"4032963","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032964","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C164 H170 O24 -","- C164 H170 O24 -","- C328 H340 O48 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4033017","6.823","0.0004","26.0046","0.0016","7.2754","0.0005","90","","107.175","0.0013","90","","1233.31","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PP0661","","","- C11 H13 Br Cl N S -","- C11 H13 Br Cl N S -","- C44 H52 Br4 Cl4 N4 S4 -","4","2","","Parker, Patrick D.; Lemercier, Bérénice C.; Pierce, Joshua G.","Synthesis of Quaternary-Substituted Thiazolines via Halocyclization of S-Allyl Thioimidate Salts","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02299","","","0.71073","MoKα","","0.0714","0.0588","","","0.1433","0.1509","","","","","","1.016","","","","has coordinates","202281","2020-10-21","18:00:00",""
"4033036","7.2555","0.0004","6.3055","0.0004","19.0027","0.001","90","","96.908","0.005","90","","863.05","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Zhi, Wubin; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Diastereoselective Synthesis of 3-Arylbutanoic Acid Derivatives.","The Journal of organic chemistry","2017","82","23","12286","12293","10.1021/acs.joc.7b02104","","x-ray","1.54184","CuKα","","0.0382","0.035","","","0.0904","0.0942","","","","","","1.029","","","","has coordinates","204845","2020-10-21","18:00:00",""
"4033039","12.4777","0.0011","5.797","0.0007","15.419","0.0019","90","","100.727","0.001","90","","1095.8","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C46 H62 O4 P2 -","2","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.0877","0.0658","","","0.1567","0.1697","","","","","","0.89","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4033045","12.3456","0.0009","8.7625","0.0005","19.7466","0.0014","90","","101.307","0.003","90","","2094.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C17 H12 N O3 -","- C102 H72 N6 O18 -","6","3","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.1142","0.0548","","","0.1262","0.1493","","","","","","1.028","","","","has coordinates","202602","2020-10-21","18:00:00",""
"4033057","6.269","0.0003","27.3913","0.0011","7.1608","0.0004","90","","113.19","0.006","90","","1130.28","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0647","0.0491","","","0.1119","0.1245","","","","","","0.995","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033058","6.1751","0.0006","13.4968","0.0011","13.5761","0.0007","90","","90.834","0.007","90","","1131.37","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0937","0.0611","","","0.1511","0.1695","","","","","","1.115","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033059","6.7453","0.0005","11.8927","0.001","14.4914","0.0013","90","","101.28","0.009","90","","1140.04","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.099","0.0642","","","0.1514","0.1774","","","","","","0.895","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033060","6.1762","0.0004","15.9914","0.0007","7.1677","0.0004","90","","114.107","0.007","90","","646.18","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0591","0.0483","","","0.1314","0.1418","","","","","","0.894","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033077","4.0791","0.0001","8.7997","0.0002","19.3763","0.0004","90","","92.115","0.002","90","","695.04","0.03","297.4","0.14","297.4","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-Ethyl 3-(4,6-dimethyl-3- oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)but-2-enoate (2b)","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0819","0.0834","","","","","","1.059","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033097","9.9789","0.0007","7.0934","0.0005","11.0379","0.0007","90","","115.725","0.0012","90","","703.87","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0424","0.0397","","","0.0978","0.0993","","","","","","1.049","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033098","9.9791","0.0006","7.0599","0.0004","10.8562","0.0007","90","","115.146","0.001","90","","692.35","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N O5 -","- C14 H14 Cl N O5 -","- C28 H28 Cl2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0355","0.0335","","","0.0818","0.0832","","","","","","1.024","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033106","7.3419","0.0007","15.3072","0.0012","14.5765","0.0014","90","","90.222","0.01","90","","1638.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cl N O2 -","- C40 H40 Cl N O2 -","- C80 H80 Cl2 N2 O4 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0664","0.0448","","","0.101","0.1185","","","","","","1.014","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033110","5.774","","14.657","","12.222","","90","","101.02","","90","","1015.27","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 S -","- C22 H19 N4 O2 S -","- C44 H38 N8 O4 S2 -","2","1","","Zheng, Guangfan; Sun, Jiaqiong; Liu, Yang; Yang, Shengbiao; Li, Yan; Sun, Haizhu; Zhang, Qian","Copper-Catalyzed Azidative Multifunctionalization of Alkynes.","The Journal of organic chemistry","2017","82","23","12813","12820","10.1021/acs.joc.7b02148","","","0.71073","MoKα","","0.0865","0.0509","","","0.1267","0.1517","","","","","","0.859","","","","has coordinates","204828","2020-10-21","18:00:00",""
"4033121","7.8728","0.0009","6.9222","0.0008","13.1511","0.0015","90","","96.888","0.002","90","","711.52","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0375","0.0349","","","0.0799","0.0817","","","","","","1.061","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033122","7.7181","0.0004","7.1084","0.0004","26.189","0.0015","90","","98.083","0.001","90","","1422.54","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0421","0.0348","","","0.0829","0.087","","","","","","1.036","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033126","9.4609","0.0005","9.552","0.0004","12.1087","0.0005","90","","89.67","0.004","90","","1094.25","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","x-ray","0.71073","MoKα","","0.0513","0.0438","","","0.1019","0.109","","","","","","1.037","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033169","8.954","0.006","30.616","0.017","10.213","0.007","90","","109.783","0.016","90","","2635","3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.25 H28.5 Cl0.5 N2 O7 -","- C25.25 H28.5 Cl0.5 N2 O7 -","- C101 H114 Cl2 N8 O28 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.2097","0.1909","","","0.4314","0.4524","","","","","","1.628","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033193","6.3211","0.0002","8.5298","0.0002","20.3965","0.0008","90","","90.395","0.001","90","","1099.71","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C50 H48 Cl2 N2 O4 S2 -","2","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","0.71073","MoKα","","0.0492","0.0391","","","0.0841","0.0891","","","","","","1.047","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033243","6.097","0.0003","25.7082","0.0011","7.423","0.0003","90","","110.555","0.005","90","","1089.43","0.09","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H35 Cl O4 Si2 -","- C17 H35 Cl O4 Si2 -","- C34 H70 Cl2 O8 Si4 -","2","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.0953","0.0969","","","","","","1.016","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033247","11.0102","0.0003","9.1251","0.0002","11.497","0.0003","90","","91.296","0.002","90","","1154.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C56 H56 O10 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0359","0.033","","","0.0717","0.076","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033266","11.1961","0.0006","6.5619","0.0003","12.9957","0.0008","90","","100.474","0.002","90","","938.86","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Periasamy, Mariappan; Mohan, Lakavathu; Satyanarayana, Iddum; Reddy, Polimera Obula","Enantioselective Synthesis of β-Allenoates via Phosphine Catalysed and ZnI2 Promoted Preparation of Oxozolidines and Propargylamines using Chiral Amines, 1-Alkynes and Propiolates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02632","","","0.71073","MoKα","","0.0469","0.0377","","","0.0804","0.0838","","","","","","1.108","","","","has coordinates","204092","2020-10-21","18:00:00",""
"4033276","7.4723","0.0003","23.1083","0.0008","9.2378","0.0004","90","","93.56","0.003","90","","1592.03","0.11","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 S3 -","- C19 S3 -","- C76 S12 -","4","2","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0457","0.045","","","0.1203","0.1208","","","","","","1.071","","","","has coordinates","204218","2020-10-21","18:00:00",""
"4033285","11.3094","0.0001","10.5306","0.0001","17.0804","0.0002","90","","104.561","0.001","90","","1968.85","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0453","0.0411","","","0.1109","0.1141","","","","","","0.989","","","","has coordinates","204369","2020-10-21","18:00:00",""
"4033291","10.2216","0.0005","19.0596","0.0008","14.1017","0.0006","90","","111.156","0.002","90","","2562.1","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H64 Cl3 N4 O12 -","- C47 H64 Cl3 N4 O12 -","- C94 H128 Cl6 N8 O24 -","2","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","1.54178","CuKα","","0.0918","0.0832","","","0.2164","0.2247","","","","","","1.025","","","","has coordinates,has disorder","204424","2020-10-21","18:00:00",""
"4033302","7.2135","0.0003","18.9163","0.0008","7.7262","0.0003","90","","109.331","0.001","90","","994.82","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K2S2O8-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0447","0.0391","","","0.0921","0.0953","","","","","","1.088","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033304","12.8117","0.0006","5.5768","0.0003","12.9121","0.0006","90","","103.001","0.002","90","","898.9","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N O4 -","- C21 H20 F N O4 -","- C42 H40 F2 N2 O8 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K2S2O8-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0847","0.0455","","","0.076","0.087","","","","","","1.052","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033314","6.5955","0.0003","10.6686","0.0005","17.0119","0.0012","90","","90.016","0.006","90","","1197.04","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O4 S2 -","- C11 H11 N O4 S2 -","- C44 H44 N4 O16 S8 -","4","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1501","0.0851","","","0.1846","0.2634","","","","","","1.226","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033331","9.2188","0.0001","10.6982","0.0002","19.9113","0.0003","90","","101.668","0.001","90","","1923.16","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","2","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0407","0.0385","","","0.1024","0.1048","","","","","","1.033","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033332","6.1442","0.0001","11.1047","0.0001","13.2427","0.0001","90","","91.632","0.001","90","","903.176","0.018","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0346","0.0339","","","0.09","0.0907","","","","","","1.064","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033371","7.451","0.0015","10.958","0.002","15.857","0.005","90","","99.33","0.03","90","","1277.6","0.5","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Br O4 Si -","- C25 H30 Br O4 Si -","- C50 H60 Br2 O8 Si2 -","2","1","","Han, Man-Yi; Luan, Wen-Yu; Mai, Pei-Lin; Li, Pinhua; Wang, Lei","Organocatalytic Asymmetric Vinylogous Aldol Reaction of Allyl Aryl Ketones to Silyl Glyoxylates.","The Journal of organic chemistry","2018","83","3","1518","1524","10.1021/acs.joc.7b02546","","","0.71073","MoKα","","0.0973","0.0439","","","0.0781","0.0931","","","","","","1.018","","","","has coordinates","227626","2020-10-21","18:00:00",""
"4033380","12.9992","0.0018","7.6753","0.0011","14.812","0.002","90","","106.361","0.003","90","","1418","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 S2 -","- C34 H28 O4 S2 -","- C68 H56 O8 S4 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0754","0.055","","","0.1143","0.1242","","","","","","1.052","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033389","13.3482","0.0016","13.659","0.0012","29.429","0.003","90","","90.949","0.011","90","","5364.8","1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H66 N6 O3 S3 -","- C45 H54 N6 S3 -","- C180 H216 N24 S12 -","4","2","","Prusinowska, Natalia; Szymkowiak, Joanna; Kwit, Marcin","Enantiopure Tertiary Urea and Thiourea Derivatives of Trianglamine Macrocycle: Structural Studies and Metallogeling Properties.","The Journal of organic chemistry","2018","83","3","1167","1175","10.1021/acs.joc.7b02600","","","0.71073","MoKα","","0.1204","0.0961","","","0.2243","0.2389","","","","","","1.083","","","","has coordinates","227630","2020-10-21","18:00:00",""
"4033412","12.72","0.003","21.862","0.004","13.524","0.003","90","","108.38","0.03","90","","3569","1.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H66 Cu6 N14 O3 S6 -","- C70 H66 Cu6 N14 O3 S6 -","- C140 H132 Cu12 N28 O6 S12 -","2","1","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0628","0.0542","","","0.1222","0.1302","","","","","","1.078","","","","has coordinates","227623","2020-10-21","18:00:00",""
"4033426","4.8449","0.0003","23.9147","0.0013","8.5862","0.0006","90","","105.37","0.007","90","","959.25","0.11","129.95","0.1","129.95","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N3 O4 S -","- C18 H27 N3 O4 S -","- C36 H54 N6 O8 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","","1.5418","CuKα","","0.0717","0.0598","","","0.148","0.1629","","","","","","1.043","","","","has coordinates,has disorder","288197","2023-12-08","18:09:38",""
"4033439","3.864","0.0011","10.515","0.003","13.701","0.004","90","","92.688","0.004","90","","556.1","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 Cl O -","- C15 H9 Cl O -","- C30 H18 Cl2 O2 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0794","0.0522","","","0.1085","0.1236","","","","","","1.087","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033462","9.0004","0.0007","16.388","0.001","9.7835","0.0008","90","","90.926","0.003","90","","1442.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 F N O2 S -","- C14 H14 F N O2 S -","- C56 H56 F4 N4 O8 S4 -","4","2","","Silva, Sandrina; Matsuo, Bianca T.; da Silva, Rodrigo C.; Pozzi, Lucas V.; Correa, Arlene G.; Rollin, Patrick; Zukerman-Schpector, Julio; Ferreira, Marco A. B.; Paixão, Márcio W","Organocatalyzed Asymmetric Vinylogous Addition of Oxazole-2(3H)-thiones to α,β-Unsaturated Ketones: An Additive-Free Approach for Diversification of Heterocyclic Scaffold.","The Journal of organic chemistry","2018","83","4","1701","1716","10.1021/acs.joc.7b02236","","","0.71073","MoKα","","0.0659","0.0472","","","0.1169","0.1283","","","","","","1.033","","","","has coordinates","227524","2020-10-21","18:00:00",""
"4033463","9.4497","0.0004","6.4699","0.0003","12.5564","0.0006","90","","99.507","0.002","90","","757.14","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Kim, Kelly E.; Adams, Ashley M.; Chiappini, Nicholas D.; Du Bois, J.; Stoltz, Brian M.","Cyanthiwigin Natural Product Core as a Complex Molecular Scaffold for Comparative Late-Stage C-H Functionalization Studies.","The Journal of organic chemistry","2018","83","6","3023","3033","10.1021/acs.joc.7b03291","","","1.54178","CuKα","","0.0422","0.038","","","0.0898","0.0924","","","","","","1.062","","","","has coordinates","227571","2020-10-21","18:00:00",""
"4033466","11.2892","0.0015","8.9842","0.0011","14.7594","0.0018","90","","96.296","0.005","90","","1487.9","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O7 -","- C35 H42 O7 -","- C70 H84 O14 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0364","0.0343","","","0.0909","0.0934","","","","","","1.08","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033467","8.9952","0.0005","10.1174","0.0006","15.183","0.0008","90","","90.099","0.005","90","","1381.77","0.13","100","0.16","100","0.16","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O5 -","- C32 H36 O5 -","- C64 H72 O10 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0524","0.042","","","0.0837","0.0897","","","","","","1.049","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033489","14.8423","0.0007","6.5103","0.0005","19.3939","0.0016","90","","94.557","0.005","90","","1868.1","0.2","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","2","","Sun, Meng; Zhu, Zi-Qi; Gu, Ling; Wan, Xiao; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Dearomative [3 + 2] Cycloaddition of Electron-Deficient Indoles with All-Carbon 1,3-Dipoles.","The Journal of organic chemistry","2018","83","4","2341","2348","10.1021/acs.joc.7b03259","","","1.54178","CuKα","","0.0526","0.046","","","0.0981","0.103","","","","","","1.078","","","","has coordinates","227534","2020-10-21","18:00:00",""
"4033507","3.7669","0.0004","22.031","0.002","5.8049","0.0006","90","","94.543","0.003","90","","480.23","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)2 Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0338","0.0327","","","0.0921","0.0929","","","","","","1.187","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033514","10.2117","0.001","9.0778","0.0007","10.8267","0.0012","90","","104.155","0.01","90","","973.16","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Br N2 O6 -","- C19 H21 Br N2 O6 -","- C38 H42 Br2 N4 O12 -","2","1","","Jia, Zhi-Jun; Takayama, Hiroshi; Futamura, Yushi; Aono, Harumi; Bauer, Jonathan O.; Strohmann, Carsten; Antonchick, Andrey P.; Osada, Hiroyuki; Waldmann, Herbert","Catalytic Enantioselective Synthesis of a Pyrrolizidine-Alkaloid-Inspired Compound Collection with Antiplasmodial Activity.","The Journal of organic chemistry","2018","83","13","7033","7041","10.1021/acs.joc.7b03202","","","0.71073","MoKα","","0.0914","0.0454","","","0.0532","0.0559","","","","","","1.003","","","","has coordinates","227584","2020-10-21","18:00:00",""
"4033532","9.62","0.03","5.811","0.016","28.8","0.07","90","","98.02","0.04","90","","1594","8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 -","- C17 H17 Br N4 -","- C68 H68 Br4 N16 -","4","2","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N2-Alkylated-1,2,3 Triazoles and N1-Alkylated Benzotriazoles: Cu2S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.1851","0.0916","","","0.197","0.2383","","","","","","1.038","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033550","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033556","7.486","0.0002","5.6312","0.0002","15.5148","0.0004","90","","101.298","0.002","90","","641.35","0.03","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Jin, Yushu; Makida, Yusuke; Uchida, Tatsuya; Kuwano, Ryoichi","Ruthenium-Catalyzed Chemo- and Enantioselective Hydrogenation of Isoquinoline Carbocycles.","The Journal of organic chemistry","2018","83","7","3829","3839","10.1021/acs.joc.8b00190","","","1.54187","CuKα","","0.0422","0.0337","","","0.0779","0.0919","","","","","","1.093","","","","has coordinates","227591","2020-10-21","18:00:00",""
"4033557","8.3043","0.0007","22.819","0.0016","15.8252","0.0012","90","","102.756","0.004","90","","2924.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O4 S Si -","- C29 H37 N O4 S Si -","- C116 H148 N4 O16 S4 Si4 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0647","0.0609","","","0.1644","0.1698","","","","","","1.041","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033558","12.2955","0.0005","14.6854","0.0006","12.69","0.0006","90","","91.462","0.002","90","","2290.62","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 -","- C25 H23 N3 O7 -","- C100 H92 N12 O28 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0732","0.0546","","","0.1344","0.1496","","","","","","1.034","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033601","11.302","0.002","7.7678","0.001","13.039","0.003","90","","108.99","0.02","90","","1082.4","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C46 H38 Br2 N4 O6 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0641","0.0479","","","0.1034","0.1199","","","","","","1.096","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033607","11.8479","0.0002","10.0191","0.0001","11.9095","0.0002","90","","116.482","0.002","90","","1265.39","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N3 O4 S -","- C26 H24 Br N3 O4 S -","- C52 H48 Br2 N6 O8 S2 -","2","1","","Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Cinchona Alkaloid Squaramide-Catalyzed Asymmetric Ugi-Type Reaction of Isocyanoacetates with C,N-Cyclic Azomethine Imines: Access to Chiral Oxazole-Substituted Tetrahydroisoquinolines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01955","","x-ray","1.54184","CuKα","","0.0436","0.042","","","0.1106","0.1116","","","","","","1.054","","","","has coordinates","219599","2020-10-21","18:00:00",""
"4033618","5.999","0.003","7.392","0.003","21.647","0.012","90","","96.023","0.017","90","","954.6","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorophenyl phenylselanyl benzo imidazo thiazine","4-(4-chlorophenyl)-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H15 Cl N2 S Se -","- C22 H15 Cl N2 S Se -","- C44 H30 Cl2 N4 S2 Se2 -","2","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0272","0.0243","","","0.0564","0.0572","","","","","","1.039","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033623","10.4592","0.0008","8.1844","0.0006","13.6348","0.001","90","","100.54","0.007","90","","1147.48","0.15","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C62 H44 O6 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0556","0.043","","","0.0967","0.1042","","","","","","1.052","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033628","9.372","0.0009","10.1969","0.001","11.3176","0.0011","90","","96.536","0.003","90","","1074.54","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C48 H40 N12 O4 -","2","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable n-Type Organic Field-Effect Transistors: Critical Role of N-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0493","0.0402","","","0.0965","0.1031","","","","","","1.055","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033630","4.962","0.0002","13.1568","0.0006","10.7648","0.0005","90","","96.674","0.001","90","","698.01","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 I N5 O4 -","- C10 H12 I N5 O4 -","- C20 H24 I2 N10 O8 -","2","1","","Leonard, Peter; Kondhare, Dasharath; Jentgens, Xenia; Daniliuc, Constantin; Seela, Frank","Nucleobase-Functionalized 5-Aza-7-deazaguanine Ribo- and 2'-Deoxyribonucleosides: Glycosylation, Pd-Assisted Cross-Coupling, and Photophysical Properties.","The Journal of organic chemistry","2019","84","21","13313","13328","10.1021/acs.joc.9b01347","","","1.54178","CuKα","","0.0202","0.0199","","","0.0476","0.0478","","","","","","1.054","","","","has coordinates","223228","2020-10-21","18:00:00",""
"4033657","7.164","0.0001","10.8451","0.0001","10.627","0.0001","90","","103.805","0.0014","90","","801.806","0.016","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","George, Josemon; Sherburn, Michael S.","Diene-Transmissive Enantioselective Diels-Alder Reactions and Sequences Involving Substituted Dendralenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02296","","","1.54184","CuKα","","0.0245","0.0242","","0.0629","0.0625","0.0629","","","","","","1.0046","","","","has coordinates","220558","2020-10-21","18:00:00",""
"4033658","5.2476","0.0009","18.201","0.002","14.8426","0.0018","90","0.2","90.1","0.2","90","0.2","1417.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 F3 N2 O3 -","- C11 H15 F3 N2 O3 -","- C44 H60 F12 N8 O12 -","4","2","","Chalyk, Bohdan A.; Hrebeniuk, Kateryna V.; Fil, Yulia V.; Gavrilenko, Konstantin S.; Rozhenko, Alexander B.; Vashchenko, Bohdan V.; Borysov, Oleksandr V.; Biitseva, Angelina V.; Lebed, Pavlo S.; Bakanovych, Iulia; Moroz, Yurii S.; Grygorenko, Oleksandr O.","Synthesis of 5-(Fluoroalkyl)isoxazole Building Blocks by Regioselective Reactions of Functionalized Halogenoximes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02264","","","0.71073","MoKα","","0.1073","0.0782","","","0.2024","0.226","","","","","","0.989","","","","has coordinates","220559","2020-10-21","18:00:00",""
"4033692","8.58","0.002","6.697","0.002","14.995","0.003","90","","94.59","0.03","90","","858.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.0542","0.0425","","","0.0937","0.0993","","","","","","1.052","","","","has coordinates","222266","2020-10-21","18:00:00",""
"4033710","10.53","0.0003","7.9937","0.0003","11.1625","0.0003","90","","91.636","0.003","90","","939.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0329","","","0.0653","0.0669","","","","","","1.0479","","","","has coordinates","222285","2020-10-21","18:00:00",""
"4033711","8.8616","0.0003","11.156","0.0003","9.5963","0.0003","90","","93.548","0.002","90","","946.87","0.05","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C48 H54 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0282","0.0271","","","0.0613","0.0621","","","","","","1.052","","","","has coordinates","222286","2020-10-21","18:00:00",""
"4033715","10.5422","0.0004","7.9944","0.0002","11.1408","0.0004","90","","91.54","0.003","90","","938.59","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0389","0.035","","","0.0699","0.0724","","","","","","1.04","","","","has coordinates","222290","2020-10-21","18:00:00",""
"4033795","7.9582","0.0004","19.5408","0.0008","21.7073","0.0013","90","","94.838","0.005","90","","3363.7","0.3","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H33 N2 O3 -","- C46 H33 N2 O3 -","- C184 H132 N8 O12 -","4","2","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0831","0.0767","","","0.208","0.2205","","","","","","1.049","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033797","10.928","0.0002","12.6925","0.0002","11.194","0.0002","90","","106.253","0.002","90","","1490.6","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 O3 -","- C41 H28 N4 O3 -","- C82 H56 N8 O6 -","2","1","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","0.71073","MoKα","","0.0609","0.0453","","","0.0801","0.0866","","","","","","1.057","","","","has coordinates","222372","2020-10-21","18:00:00",""
"4033820","6.5477","0.0001","12.0793","0.0001","20.9684","0.0003","90","","91.419","0.001","90","","1657.92","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.42 H2.06 N0.12 O0.36 -","- C2.42424 H2.06061 N0.121212 O0.363636 -","- C80 H68 N4 O12 -","33","16.5","","Liang, Hao; Zhou, Xiaotong; Zheng, Liyao; Wang, Jun","Enantioselective Organocatalytic Desymmetrization of Cyclopentene-1,3-diones through Formal C(sp2)-H Amidation.","The Journal of organic chemistry","2019","84","17","11306","11315","10.1021/acs.joc.9b01678","","","1.54178","CuKα","","0.0364","0.0345","","","0.0914","0.0935","","","","","","1.021","","","","has coordinates","222395","2020-10-21","18:00:00",""
"4033841","7.6318","0.0013","11.923","0.002","23.114","0.004","90","","90","","90","","2103.2","0.6","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","2","","Caleffi, Guilherme S.; Larrañaga, Olatz; Ferrándiz-Saperas, Marcos; Costa, Paulo R. R.; Nájera, Carmen; de Cózar, Abel; Cossío, Fernando P; Sansano, José M","Switching Diastereoselectivity in Catalytic Enantioselective (3+2) Cycloadditions of Azomethine Ylides Promoted by Metal Salts and Privileged Segphos-Derived Ligands.","The Journal of organic chemistry","2019","84","17","10593","10605","10.1021/acs.joc.9b00267","","","0.71073","MoKα","","0.1148","0.0544","","","0.0849","0.1044","","","","","","0.957","","","","has coordinates","222417","2020-10-21","18:00:00",""
"4033851","7.4961","0.0002","7.4595","0.0002","13.2851","0.0003","90","","104.771","0.001","90","","718.32","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A Lycopodium Alkaloid with a Unique Cyclobutane Ring from Phlegmariurus phlegmaria.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0326","0.0326","","","0.0854","0.0855","","","","","","1.004","","","","has coordinates","222428","2020-10-21","18:00:00",""
"4033854","8.711","0.003","13.404","0.004","12.174","0.004","90","","106.607","0.005","90","","1362.2","0.8","273","","273","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H31 N O3 Pt S Si -","- C30 H31 N O3 Pt S Si -","- C60 H62 N2 O6 Pt2 S2 Si2 -","2","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0247","0.0231","","","0.0509","0.0519","","","","","","1.036","","","","has coordinates","222431","2020-10-21","18:00:00",""
"4033861","5.5409","0.0006","8.9312","0.0011","10.2919","0.0013","90","","93.877","0.005","90","","508.15","0.11","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and N-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.049","0.0332","","","0.0641","0.0694","","","","","","1.049","","","","has coordinates","222438","2020-10-21","18:00:00",""
"4033870","8.802","0.0005","11.259","0.0006","15.7919","0.0008","90","","95.669","0.002","90","","1557.35","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H38 N4 O4 -","- C37 H38 N4 O4 -","- C74 H76 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.072","0.0449","","","0.1039","0.1164","","","","","","1.03","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033871","8.9528","0.0011","11.419","0.003","15.863","0.002","90","","93.945","0.012","90","","1617.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N4 O4 -","- C38 H40 N4 O4 -","- C76 H80 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0513","0.042","","","0.1052","0.1116","","","","","","1.015","","","","has coordinates,has disorder","222446","2020-10-21","18:00:00",""
"4033872","10.962","0.004","19.047","0.005","12.85","0.004","90","","97.523","0.017","90","","2659.9","1.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H66 N6 O6 -","- C60 H66 N6 O6 -","- C120 H132 N12 O12 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0371","0.0347","","","0.09","0.0919","","","","","","1.024","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033892","10.7686","0.0003","6.6244","0.0002","15.1218","0.0005","90","","110.361","0.002","90","","1011.32","0.05","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Puriņš, Mikus; Mishnev, Anatoly; Turks, Ma Ris","Brønsted Acid Catalyzed 1,2-Silyl Shift in Propargyl Silanes: Synthesis of Silyl Dienes and Silyl Indenes.","The Journal of organic chemistry","2019","84","6","3595","3611","10.1021/acs.joc.8b02735","","","0.71073","MoKα","","0.0684","0.0472","","","0.084","0.092","","","","","","1.037","","","","has coordinates","222467","2020-10-21","18:00:00",""
"4033902","7.3786","0.0002","11.8974","0.0003","8.0186","0.0002","90","","96.195","0.001","90","","699.81","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Lu, Bin; Wu, Xiaoyu; Li, Chengyang; Ding, Guangni; Li, Wanfang; Xie, Xiaomin; Zhang, Zhaoguo","Highly Diastereo- and Enantioselective Access to syn-α-Amido β-Hydroxy Esters via Ruthenium-Catalyzed Dynamic Kinetic Resolution-Asymmetric Hydrogenation.","The Journal of organic chemistry","2019","84","6","3201","3213","10.1021/acs.joc.8b03106","","","1.54178","CuKα","","0.0226","0.0225","","","0.0617","0.0618","","","","","","1.044","","","","has coordinates","222478","2020-10-21","18:00:00",""
"4033910","10.8031","0.0002","7.9845","0.0001","25.7942","0.0004","90","","90.498","0.0007","90","","2224.86","0.06","200","","200","","","","","","","","local","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Br N O Si -","- C21 H32 Br N O Si -","- C84 H128 Br4 N4 O4 Si4 -","4","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0571","0.0367","","0.0678","0.0626","0.0678","","","","","","0.9702","","","","has coordinates","222486","2020-10-21","18:00:00",""
"4033911","9.9367","0.0003","9.0913","0.0002","13.3553","0.0005","90","","109.642","0.0015","90","","1136.28","0.06","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0506","0.0439","","0.1155","0.1104","0.1155","","","","","","0.9915","","","","has coordinates","222487","2020-10-21","18:00:00",""
"4033916","9.9369","0.0002","9.0908","0.0002","13.3586","0.0003","90","","109.636","0.0012","90","","1136.56","0.04","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0369","0.033","","0.0843","0.0819","0.0843","","","","","","0.997","","","","has coordinates","222492","2020-10-21","18:00:00",""
"4033946","16.57","0.003","42.93","0.009","57.47","0.012","90","","96.72","0.03","90","","40600","14","95","2","95","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C260 H270 -","- C260 H270 -","- C1040 H1080 -","4","2","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.75","synchrotron","","0.1421","0.0927","","","0.2568","0.3055","","","","","","0.968","","","","has coordinates,has disorder","222520","2020-10-21","18:00:00",""
"4033961","13.0203","0.0014","6.0434","0.0006","16.2047","0.0018","90","","101.8","0.011","90","","1248.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C58 H50 N6 O12 -","2","1","","Ramaraju, Panduga; Pawar, Amol Prakash; Iype, Eldhose; Mir, Nisar A.; Choudhary, Sachin; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and N-Aryl Imines with DFT Calculations.","The Journal of organic chemistry","2019","84","19","12408","12419","10.1021/acs.joc.9b01865","","","0.71073","MoKα","","0.0597","0.0418","","","0.0782","0.0887","","","","","","1.009","","","","has coordinates","222536","2020-10-21","18:00:00",""
"4033970","12.8387","0.0014","8.758","0.001","15.1578","0.0018","90","","107.408","0.003","90","","1626.3","0.3","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H15 F16 O2 P -","- C37 H15 F16 O2 P -","- C74 H30 F32 O4 P2 -","2","1","","Fujii, Kohei; Ito, Shigekazu; Mikami, Koichi","Synthetic Methodologies for Perfluoroaryl-Substituted (Diaryl)methylphosphonates, -Phosphinates via SNAr Reaction.","The Journal of organic chemistry","2019","84","19","12281","12291","10.1021/acs.joc.9b01402","","","0.71075","MoKα","","0.103","0.0576","","","0.1461","0.1901","","","","","","1.097","","","","has coordinates","222545","2020-10-21","18:00:00",""
"4034002","9.0485","0.0001","20.726","0.0003","9.711","0.0001","90","","90.9436","0.001","90","","1820.95","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, allo-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0391","0.038","","0.1011","0.0994","0.1011","","","","","","1.0016","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034004","11.8798","0.0019","7.2157","0.0011","12.259","0.002","90","","114.56","0.02","90","","955.8","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 S -","- C18 H22 Cl N O5 S -","- C36 H44 Cl2 N2 O10 S2 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, allo-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0931","0.073","","0.2045","0.1781","0.2045","","","","","","0.9961","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034005","9.3561","0.0003","8.2582","0.0002","10.6327","0.0003","90","","92.674","0.003","90","","820.64","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O7 S2 -","- C13 H19 N O7 S2 -","- C26 H38 N2 O14 S4 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, allo-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0291","0.029","","0.0767","0.0765","0.0767","","","","","","0.9955","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034012","15.4743","0.0013","5.3473","0.0004","15.7831","0.0013","90","","91.454","0.004","90","","1305.56","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N O2 -","- C12 H14 F3 N O2 -","- C48 H56 F12 N4 O8 -","4","2","","Chen, Mu-Wang; Yang, Qin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Synthesis of Chiral β-Fluoroalkyl β-Amino Acid Derivatives via Palladium-Catalyzed Hydrogenation.","The Journal of organic chemistry","2019","84","16","10371","10379","10.1021/acs.joc.9b01523","","","1.54178","CuKα","","0.064","0.0525","","","0.1437","0.1579","","","","","","1.057","","","","has coordinates,has disorder","222571","2020-10-21","18:00:00",""
"4034053","9.0345","0.0006","13.5168","0.0006","9.3716","0.0006","90","","113.131","0.008","90","","1052.43","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.0394","0.0359","","","0.0799","0.0824","","","","","","1.027","","","","has coordinates","222613","2020-10-21","18:00:00",""
"4034054","12.2321","0.0015","7.4711","0.0009","13.3738","0.0016","90","","110.067","0.003","90","","1148","0.2","300","","300.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.08","0.0575","","","0.1405","0.1563","","","","","","1.037","","","","has coordinates,has disorder","222614","2020-10-21","18:00:00",""
"4034058","7.7056","0.0003","19.3654","0.0009","10.8728","0.0005","90","","107.45","0.002","90","","1547.79","0.12","153","2","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 Cu N4 O4 S2 -","- C36 H26 Cu N4 O4 S2 -","- C72 H52 Cu2 N8 O8 S4 -","2","1","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","1.54178","CuKα","","0.059","0.0569","","","0.1434","0.1464","","","","","","1.078","","","","has coordinates","222618","2020-10-21","18:00:00",""
"4034064","8.2685","0.0015","11.592","0.002","16.655","0.003","90","","97.756","0.007","90","","1581.8","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.168","0.1184","","","0.2772","0.2999","","","","","","1.146","","","","has coordinates","222624","2020-10-21","18:00:00",""
"4034089","9.5579","0.0008","7.3213","0.0006","10.5955","0.0009","90","","98.392","0.003","90","","733.49","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.0937","0.0549","","","0.1254","0.1516","","","","","","0.81","","","","has coordinates","222650","2020-10-21","18:00:00",""
"4034094","11.5636","0.0001","7.5652","0.0001","24.188","0.0002","90","","99.451","0.001","90","","2087.27","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Cp*RhCl(4-iPrPhPy)","","","- C24 H29 Cl N Rh -","- C24 H29 Cl N Rh -","- C96 H116 Cl4 N4 Rh4 -","4","2","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl2]2.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0348","0.0342","","","0.0902","0.0907","","","","","","1.081","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034108","8.2418","0.0005","11.7243","0.0006","8.9435","0.0006","90","","93.134","0.007","90","","862.91","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 I O6 -","- C16 H21 I O6 -","- C32 H42 I2 O12 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0468","0.0361","","","0.0614","0.0703","","","","","","1.067","","","","has coordinates","222665","2020-10-21","18:00:00",""
"4034109","7.3685","0.0004","4.8732","0.0002","13.2304","0.0007","90","","95.679","0.005","90","","472.75","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C22 H28 O4 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","1.54184","CuKα","","0.0435","0.0401","","","0.1033","0.1079","","","","","","1.044","","","","has coordinates","222666","2020-10-21","18:00:00",""
"4034111","11.2585","0.0004","9.2137","0.0003","21.7771","0.0008","90","","101.02","0.004","90","","2217.34","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O7 -","- C20 H27 I O7 -","- C80 H108 I4 O28 -","4","2","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0458","0.0346","","","0.0621","0.0694","","","","","","1.063","","","","has coordinates","222669","2020-10-21","18:00:00",""
"4034126","16.4461","0.0014","10.0756","0.0009","19.0236","0.0017","90","","91.813","0.001","90","","3150.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C132 H180 B6 O6 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0886","0.0493","","","0.0884","0.1002","","","","","","0.975","","","","has coordinates","222684","2020-10-21","18:00:00",""
"4034128","12.7166","0.0013","25.022","0.002","15.1067","0.0015","90","","90.917","0.002","90","","4806.3","0.8","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H66 Cl2 O2 P2 Pd -","- C48 H66 Cl2 O2 P2 Pd -","- C192 H264 Cl8 O8 P8 Pd4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1902","0.103","","","0.2287","0.2675","","","","","","1.103","","","","has coordinates","222686","2020-10-21","18:00:00",""
"4034129","9.6073","0.0009","19.9161","0.0018","11.0248","0.0011","90","","102.281","0.002","90","","2061.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H54 Cl2 O2 P2 Pd -","- C44 H54 Cl2 O2 P2 Pd -","- C88 H108 Cl4 O4 P4 Pd2 -","2","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0407","0.0327","","","0.0724","0.0771","","","","","","1.055","","","","has coordinates","222687","2020-10-21","18:00:00",""
"4034131","9.0198","0.0007","16.1608","0.0012","16.3197","0.0013","90","","102.423","0.003","90","","2323.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 B O3 P S -","- C22 H30 B O3 P S -","- C88 H120 B4 O12 P4 S4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.073","0.045","","","0.1015","0.1142","","","","","","1.076","","","","has coordinates","222689","2020-10-21","18:00:00",""
"4034133","10.2807","0.0009","22.03","0.002","19.2697","0.0018","90","","103.151","0.004","90","","4249.8","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C176 H240 B8 O8 P8 -","8","4","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1756","0.0627","","","0.0608","0.0713","","","","","","0.963","","","","has coordinates","222691","2020-10-21","18:00:00",""
"4034135","10.0256","0.0009","13.1759","0.0011","24.608","0.002","90","","97.774","0.002","90","","3220.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29.66667 O2.33333 P -","- C23 H29.6667 O2.33333 P -","- C138 H178 O14 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1164","0.0593","","","0.1005","0.1216","","","","","","1.069","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034160","9.1245","0.0001","23.3744","0.0001","14.4458","0.0001","90","","102.969","0.001","90","","3002.4","0.04","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","2","","Matsuoka, Junpei; Kumagai, Hiroshi; Inuki, Shinsuke; Oishi, Shinya; Ohno, Hiroaki","Construction of the Pyrrolo[2,3-d]carbazole Core of Spiroindoline Alkaloids by Gold-Catalyzed Cascade Cyclization of Ynamide.","The Journal of organic chemistry","2019","84","14","9358","9363","10.1021/acs.joc.9b01149","","x-ray","1.54184","CuKα","","0.0409","0.0398","","","0.1042","0.1048","","","","","","1.049","","","","has coordinates","222711","2020-10-21","18:00:00",""
"4034163","7.51","0.005","35.163","0.011","10.914","0.003","90","","91.743","0.014","90","","2881","2","220","","220","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O8 -","- C32 H38 O8 -","- C128 H152 O32 -","4","2","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from Sarcandra glabra.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54178","CuKα","","0.0684","0.0473","","","0.1044","0.1157","","","","","","1.024","","","","has coordinates,has disorder","222713","2020-10-21","18:00:00",""
"4034172","7.529","0.0015","11.82","0.002","14","0.003","90","","99.35","0.03","90","","1229.3","0.4","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 F6 N3 O6 S2 -","- C17 H27 F6 N3 O6 S2 -","- C34 H54 F12 N6 O12 S4 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.0581","0.0479","","","0.1194","0.1263","","","","","","1.069","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034231","7.6807","0.0002","10.5907","0.0003","16.1738","0.0004","90","","101.009","0.003","90","","1291.43","0.06","278","10","278","10","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Zheng, Zai-Qin; Wei, Wen-Jun; Zhang, Junmin; Li, Hang-Ying; Xu, Kai; Xu, Jiayuan; Tang, Bencan; Li, Ya; Gao, Kun","Heliaquanoids A-E, Five Sesquiterpenoid Dimers from Inula helianthus-aquatica.","The Journal of organic chemistry","2019","84","7","4473","4477","10.1021/acs.joc.8b03284","","","1.54184","CuKα","","0.0495","0.0459","","","0.1185","0.1234","","","","","","1.043","","","","has coordinates","222774","2020-10-21","18:00:00",""
"4034244","6.5581","0.0001","7.3707","0.0001","39.7747","0.0009","90","","91.298","0.002","90","","1922.13","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","1","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0595","0.0574","","","0.1334","0.1346","","","","","","1.08","","","","has coordinates","222787","2020-10-21","18:00:00",""
"4034249","6.54","0.0001","19.8361","0.0004","15.2529","0.0003","90","","93.965","0.002","90","","1973.99","0.06","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H16 B F4 I N4 O2 -","- C17 H16 B F4 I N4 O2 -","- C68 H64 B4 F16 I4 N16 O8 -","4","2","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0496","0.0473","","","0.1265","0.1305","","","","","","1.052","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034251","10.2947","0.0002","6.9593","0.0001","11.0589","0.0002","90","","115.163","0.002","90","","717.11","0.02","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C32 H28 Br2 N6 -","2","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0931","0.0935","","","","","","1.041","","","","has coordinates","222794","2020-10-21","18:00:00",""
"4034253","11.242","0.003","40.833","0.008","11.278","0.002","90","","111.848","0.006","90","","4805.3","1.8","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110.82 H123.23 N8.41 O8 -","- C110.822 H123.233 N8.411 O8 -","- C221.644 H246.466 N16.822 O16 -","2","1","","Wellhöfer, Isabelle; Frydenvang, Karla; Kotesova, Simona; Christiansen, Andreas M.; Laursen, Jonas S.; Olsen, Christian A.","Functionalized Helical β-Peptoids.","The Journal of organic chemistry","2019","84","7","3762","3779","10.1021/acs.joc.9b00218","","","0.71073","MoKα","","0.0976","0.061","","","0.1294","0.146","","","","","","1.02","","","","has coordinates,has disorder","222796","2020-10-21","18:00:00",""
"4034275","10.7001","0.0002","7.5125","0.0001","12.3736","0.0002","90","","93.544","0.001","90","","992.74","0.03","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C40 H40 N4 O14 S2 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.04","0.0368","","","0.0876","0.089","","","","","","1.09","","","","has coordinates","222818","2020-10-21","18:00:00",""
"4034277","5.8397","0.0004","11.6308","0.0007","14.2713","0.0008","90","","94.727","0.004","90","","966.02","0.1","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O5 -","- C18 H26 N4 O5 -","- C36 H52 N8 O10 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.0974","0.0678","","","0.1549","0.1699","","","","","","1.033","","","","has coordinates","222820","2020-10-21","18:00:00",""
"4034278","11.7922","0.0002","14.2337","0.0003","21.0488","0.0004","90","","102.785","0.001","90","","3445.38","0.11","270","2","270","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","4","","Meng, Fan-Jie; Shi, Lei; Feng, Guang-Shou; Sun, Lei; Zhou, Yong-Gui","Enantioselective Synthesis of 3,4-Dihydropyrimidin-2(1 H)-ones through Organocatalytic Transfer Hydrogenation of 2-Hydroxypyrimidines.","The Journal of organic chemistry","2019","84","7","4435","4442","10.1021/acs.joc.8b03128","","","1.54178","CuKα","","0.0631","0.0449","","","0.0992","0.1114","","","","","","1.041","","","","has coordinates","222821","2020-10-21","18:00:00",""
"4034298","13.0916","0.0001","27.1113","0.0002","13.5323","0.0001","90","","108.107","0.001","90","","4565.17","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.25 H36 N O4.25 -","- C24.25 H36 N O4.25 -","- C194 H288 N8 O34 -","8","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54184","CuKα","","0.0559","0.0532","","","0.1408","0.1431","","","","","","1.032","","","","has coordinates,has disorder","222841","2020-10-21","18:00:00",""
"4034310","7.35354","0.00015","5.87211","0.00011","11.1184","0.0002","90","","95.496","0.007","90","","477.894","0.017","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Takashima, Katsuki; Hayakawa, Daichi; Gouda, Hiroaki; Toyooka, Naoki","Formal Syntheses of (-)-Lepadiformines A, C, and (-)-Fasicularin.","The Journal of organic chemistry","2019","84","9","5222","5229","10.1021/acs.joc.9b00071","","","1.54187","CuKα","","0.0386","0.0346","","","0.0815","0.0837","","","","","","1.087","","","","has coordinates","222854","2020-10-21","18:00:00",""
"4034313","7.059","0.003","15.876","0.006","9.721","0.004","90","","92.72","0.03","90","","1088.2","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C50 H56 N12 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.073","0.0614","","","0.1561","0.1623","","","","","","1","","","","has coordinates","222857","2020-10-21","18:00:00",""
"4034316","9.394","0.003","15.759","0.004","11.845","0.004","90","","92.11","0.03","90","","1752.3","0.9","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29.6 H50.7 Cl4 N7.7 O1.6 -","- C29.606 H49.704 Cl4 N7.744 O1.512 -","- C59.212 H99.408 Cl8 N15.488 O3.024 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.039","0.0343","","","0.0806","0.0835","","","","","","1.015","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034319","13.2188","0.0004","8.8154","0.0003","16.5835","0.0006","90","","106.553","0.004","90","","1852.37","0.11","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 N2 O6 Si2 -","- C36 H58 N2 O6 Si2 -","- C72 H116 N4 O12 Si4 -","2","1","","Liu, Yuyin; Wang, Zhi-Peng; Banne, Sreenivas; Guo, Jian; He, Yun","Toward the Total Synthesis of Scabrosins: Synthesis of a Desulfur-scabrosin Skeleton and Its Stereoisomers.","The Journal of organic chemistry","2019","84","9","5838","5845","10.1021/acs.joc.9b00015","","","0.71073","MoKα","","0.0717","0.0574","","","0.1378","0.1499","","","","","","1.046","","","","has coordinates","222858","2020-10-21","18:00:00",""
"4034339","5.602","0.0006","18.4031","0.0018","24.676","0.003","90","","90.769","0.004","90","","2543.7","0.5","102","2","102.19","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 I N2 O3 -","- C26 H23 I N2 O3 -","- C104 H92 I4 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1028","0.0794","","","0.1975","0.2224","","","","","","1.03","","","","has coordinates,has disorder","222878","2020-10-21","18:00:00",""
"4034340","11.06","0.002","9.1934","0.0017","22.324","0.005","90","","94.265","0.007","90","","2263.6","0.8","100","2","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1287","0.081","","","0.1886","0.2241","","","","","","0.99","","","","has coordinates","222879","2020-10-21","18:00:00",""
"4034360","5.0898","0.0014","7.4264","0.0013","9.842","0.003","90","","102.18","0.03","90","","363.64","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C12 H18 F6 O6 -","2","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0985","0.0891","","","0.245","0.2599","","","","","","1.113","","","","has coordinates","222898","2020-10-21","18:00:00",""
"4034364","9.2883","0.0007","23.2285","0.0008","9.3154","0.0007","90","","109.472","0.008","90","","1894.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","2","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","","1.54187","CuKα","","0.1005","0.0411","","","0.0857","0.1371","","","","","","1.149","","","","has coordinates","222902","2020-10-21","18:00:00",""
"4034397","7.6112","0.0001","11.6546","0.0002","22.0545","0.0004","90","","97.261","0.002","90","","1940.67","0.06","173","2","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 P S3 -","- C17 H27 P S3 -","- C68 H108 P4 S12 -","4","2","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of S-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","1.54184","CuKα","","0.0431","0.0426","","","0.1135","0.1143","","","","","","1.068","","","","has coordinates,has disorder","222931","2020-10-21","18:00:00",""
"4034398","7.6056","0.0003","11.6865","0.0004","11.2799","0.0004","90","","101.66","0.002","90","","981.9","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 P S2 Se -","- C17 H27 P S2 Se -","- C34 H54 P2 S4 Se2 -","2","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of S-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","","0.71073","MoKα","","0.0345","0.0285","","","0.0589","0.0675","","","","","","1.065","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034399","10.4256","0.0008","5.0334","0.0003","12.3473","0.0008","90","","100.178","0.007","90","","637.74","0.08","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.0821","0.0871","","","","","","1.049","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034400","12.01317","0.00019","5.15118","0.00008","25.5406","0.0004","90","","100.633","0.0016","90","","1553.36","0.04","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","2","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0501","0.0416","","","0.0954","0.1","","","","","","1.05","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034409","11.6263","0.0001","13.4946","0.0001","11.7477","0.0001","90","","90.512","0.001","90","","1843.05","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N P -","- C24 H24 N P -","- C96 H96 N4 P4 -","4","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","1.54178","CuKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.037","","","","has coordinates","222940","2020-10-21","18:00:00",""
"4034411","9.069","0.002","9.761","0.003","9.779","0.003","90","","108.224","0.003","90","","822.2","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","0.71073","MoKα","","0.0354","0.034","","","0.0788","0.0803","","","","","","1.052","","","","has coordinates","222942","2020-10-21","18:00:00",""
"4034413","8.0054","0.0001","7.7314","0.0001","8.6884","0.0001","90","","95.249","0.001","90","","535.496","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0674","0.0675","","","","","","1.103","","","","has coordinates","222944","2020-10-21","18:00:00",""
"4034440","11.3081","0.0003","10.6674","0.0003","13.9179","0.0004","90","","101.426","0.003","90","","1645.62","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-benzyl-3-vinyl-1,4-diazaspiro[5.5]undecane-2,5-dione","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","2","","Faltracco, Matteo; Cotogno, Silvia; Vande Velde, Christophe M. L.; Ruijter, Eelco","Catalytic Asymmetric Synthesis of Diketopiperazines by Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2019","84","18","12058","12070","10.1021/acs.joc.9b01994","","x-ray","1.54184","CuKα","","0.064","0.0478","","","0.1064","0.118","","","","","","1.015","","","","has coordinates","222958","2020-10-21","18:00:00",""
"4034449","5.6471","0.0002","14.5583","0.0004","13.5116","0.0004","90","","98.2257","0.0007","90","","1099.39","0.06","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N3 O2 -","- C25 H26 Br N3 O2 -","- C50 H52 Br2 N6 O4 -","2","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0305","0.0303","","","0.0801","0.0805","","","","","","1.058","","","","has coordinates","222967","2020-10-21","18:00:00",""
"4034467","12.8015","0.0001","8.1119","0.0001","15.1341","0.0001","90","","108.066","0.001","90","","1494.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","2","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0745","0.0754","","","","","","1.037","","","","has coordinates","222985","2020-10-21","18:00:00",""
"4034498","10.434","0.0006","14.33","0.0008","13.3476","0.0007","90","","102.277","0.002","90","","1950.08","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N O P -","- C24 H22 N O P -","- C96 H88 N4 O4 P4 -","4","2","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0567","0.0367","","","0.0686","0.0748","","","","","","1.005","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034500","8.0431","0.0005","10.1175","0.0006","8.8692","0.0006","90","","105.061","0.002","90","","696.95","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0359","0.0303","","","0.0656","0.0683","","","","","","1.056","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034508","10.0198","0.0003","40.3929","0.0011","13.8991","0.0004","90","","100.855","0.001","90","","5524.7","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C232 H336 O16 S8 -","4","2","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0707","","0.196","0.1941","0.196","","","","","","0.9405","","","","has coordinates,has disorder","223013","2020-10-21","18:00:00",""
"4034531","10.9644","0.0002","30.3343","0.0005","11.0367","0.0002","90","","98.842","0.0008","90","","3627.15","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 Br N2 O9 -","- C35 H41 Br N2 O9 -","- C140 H164 Br4 N8 O36 -","4","2","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","1.54178","CuKα","","0.0385","0.0379","","","0.0982","0.0989","","","","","","1.021","","","","has coordinates","223030","2020-10-21","18:00:00",""
"4034541","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","223040","2020-10-21","18:00:00",""
"4034557","6.9459","0.0013","19.489","0.004","15.671","0.003","90","","90.077","0.004","90","","2121.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","2","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[a]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","0.71073","MoKα","","0.1686","0.0877","","","0.1834","0.2342","","","","","","0.976","","","","has coordinates","223056","2020-10-21","18:00:00",""
"4034573","7.14826","0.00009","21.3979","0.0003","26.9591","0.0004","90","","91.3181","0.0012","90","","4122.51","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","2","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual ent-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.046","0.0441","","","0.1186","0.1201","","","","","","1.044","","","","has coordinates","223061","2020-10-21","18:00:00",""
"4034578","5.6203","0.0003","8.9365","0.0005","14.7908","0.001","90","","92.213","0.003","90","","742.33","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0526","0.036","","","0.1049","0.1219","","","","","","0.933","","","","has coordinates","223066","2020-10-21","18:00:00",""
"4034590","4.5879","0.0003","10.6241","0.0005","11.9829","0.0006","90","","92.543","0.007","90","","583.5","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C24 H14 F12 N6 -","2","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0441","","","","0.1066","","","","","","1.013","","","","has coordinates","223076","2020-10-21","18:00:00",""
"4034603","6.0244","0.0002","10.8597","0.0004","12.0848","0.0004","90","","90.221","0.002","90","","790.62","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C32 H42 Cl2 N4 O4 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0392","0.0354","","","0.0818","0.0835","","","","","","1.065","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034606","10.0063","0.0003","12.9939","0.0004","14.0411","0.0003","90","","106.272","0.0017","90","","1752.51","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl N3 O4 -","- C16 H20 Cl N3 O4 -","- C64 H80 Cl4 N12 O16 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0449","0.0364","","","0.0811","0.0854","","","","","","1.027","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034608","6.6026","0.0001","16.0983","0.0003","11.7124","0.0002","90","","103.279","0.001","90","","1211.63","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl N2 O2 -","- C10 H17 Cl N2 O2 -","- C40 H68 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.031","0.0282","","","0.0647","0.066","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034609","8.11","0.0001","14.6693","0.0002","11.5814","0.0002","90","","94.617","0.001","90","","1373.35","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 Cl N2 O2 -","- C12 H21 Cl N2 O2 -","- C48 H84 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.034","0.0302","","","0.068","0.0698","","","","","","1.038","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034610","12.1176","0.0004","7.5277","0.0003","12.3487","0.0004","90","","114.006","0.002","90","","1028.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0475","0.041","","","0.0926","0.0962","","","","","","1.058","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034611","10.6364","0.0002","5.2321","0.0001","18.8702","0.0003","90","","103.104","0.001","90","","1022.79","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 O7 S -","- C19 H32 O7 S -","- C38 H64 O14 S2 -","2","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0348","0.0342","","","0.0933","0.0936","","","","","","1.16","","","","has coordinates","223090","2020-10-21","18:00:00",""
"4034649","8.8449","0.0004","18.7623","0.0008","11.3664","0.0005","90","","95.801","0.001","90","","1876.6","0.14","273","0.2","273","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N4 O3 S -","- C17 H19 Cl N4 O3 S -","- C68 H76 Cl4 N16 O12 S4 -","4","2","","Hajra, Saumen; Abu Saleh, S. K.; Hazra, Atanu; Singh, Maya Shankar","Organocatalytic Domino Reaction of Spiroaziridine Oxindoles and Malononitrile for the Enantiopure Synthesis of Spiro[dihydropyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2019","84","12","8194","8201","10.1021/acs.joc.9b01226","","","0.71073","MoKα","","0.0343","0.0339","","","0.0886","0.089","","","","","","1.048","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034666","7.3559","0.0003","15.3767","0.0004","9.9606","0.0004","90","","109.59","0.004","90","","1061.42","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Chiral Bifunctional Amine-Squaramide-Catalyzed Highly Diastereo- and Enantioselective Michael/Aldol Cascade Reaction of 2-Mercaptobenzaldehyde and α,β-Unsaturated 7-Azaindoline Amides.","The Journal of organic chemistry","2019","84","12","7984","7994","10.1021/acs.joc.9b00837","","","0.71073","MoKα","","0.0468","0.037","","","0.0835","0.0886","","","","","","1.022","","","","has coordinates","223143","2020-10-21","18:00:00",""
"4034669","19.1887","0.0003","7.82212","0.00014","43.4449","0.0007","90","","93.6972","0.0014","90","","6507.35","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 B2 F4 N6 O2 -","- C34 H38 B2 F4 N6 O2 -","- C272 H304 B16 F32 N48 O16 -","8","4","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0377","0.0357","","","0.0924","0.0941","","","","","","1.028","","","","has coordinates,has disorder","223145","2020-10-21","18:00:00",""
"4034714","5.8139","0.0001","13.3695","0.0002","12.326","0.0001","90","","91.911","0.001","90","","957.55","0.02","297.01","0.1","297.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N2 O5 -","- C21 H19 N2 O5 -","- C42 H38 N4 O10 -","2","1","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.1028","0.1049","","","","","","1.052","","","","has coordinates","226243","2020-10-21","18:00:00",""
"4034740","5.6204","0.0004","21.5493","0.0012","10.8922","0.0006","90","","98.449","0.002","90","","1304.9","0.14","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 O6 S2 -","- C29 H28 O6 S2 -","- C58 H56 O12 S4 -","2","1","","Song, Wei-Syun; Liu, Si-Xian; Chang, Che-Chien","Synthesis of l-Deoxyribonucleosides from d-Ribose.","The Journal of organic chemistry","2018","83","24","14923","14932","10.1021/acs.joc.8b02002","","","0.71073","MoKα","","0.0282","0.0269","","","0.0644","0.0653","","","","","","1.038","","","","has coordinates","226263","2020-10-21","18:00:00",""
"4034781","16.0106","0.0004","6.6008","0.0001","18.147","0.0004","90","","110.687","0.003","90","","1794.17","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,3R,4S,7S)-7-(2,4-dichlorophenyl)-4,5-dimethyl-3-phenyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0521","0.0509","","","0.1394","0.1417","","","","","","1.085","","","","has coordinates","226304","2020-10-21","18:00:00",""
"4034783","7.8387","0.0001","15.5575","0.0002","15.9678","0.0002","90","","90.449","0.001","90","","1947.22","0.04","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N O2 -","- C23 H26 F N O2 -","- C92 H104 F4 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0799","0.0817","","","","","","1.036","","","","has coordinates","226306","2020-10-21","18:00:00",""
"4034784","10.8287","0.0001","8.7361","0.0001","14.9004","0.0001","90","","91.5711","0.0007","90","","1409.06","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C31 H38 Cl N O4 -","- C31 H38 Cl N O4 -","- C62 H76 Cl2 N2 O8 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C5 and Six Related Hyacinthacine C5 Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0243","0.024","","0.0619","0.0615","0.0619","","","","","","1.0015","","","","has coordinates","226307","2020-10-21","18:00:00",""
"4034787","13.3461","0.0002","5.1418","0.0001","19.3686","0.0002","90","","97.7303","0.0012","90","","1317.05","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C5 and Six Related Hyacinthacine C5 Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0389","0.038","","0.1038","0.1025","0.1038","","","","","","1.0125","","","","has coordinates","226310","2020-10-21","18:00:00",""
"4034795","5.4695","0.0015","7.8263","0.0016","17.704","0.003","90","","94.45","0.02","90","","755.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0501","0.0372","","","0.0723","0.0798","","","","","","1.048","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034821","6.5047","0.0003","17.1549","0.0007","16.2889","0.0007","90","","91.085","0.004","90","","1817.31","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","2","","Peng, Xing-Rong; Lu, Shuang-Yang; Shao, Li-Dong; Zhou, Lin; Qiu, Ming-Hua","Structural Elucidation and Biomimetic Synthesis of (±)-Cochlactone A with Anti-Inflammatory Activity.","The Journal of organic chemistry","2018","83","10","5516","5522","10.1021/acs.joc.8b00525","","x-ray","1.54184","CuKα","","0.0995","0.0936","","","0.2703","0.2747","","","","","","1.081","","","","has coordinates,has disorder","226341","2020-10-21","18:00:00",""
"4034824","6.587","0.005","10.692","0.005","11.061","0.005","90","0.005","93.961","0.005","90","0.005","777.1","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.0788","0.0576","","","0.1176","0.126","","","","","","1.086","","","","has coordinates","226344","2020-10-21","18:00:00",""
"4034843","8.002","0.005","10.041","0.006","14.272","0.009","90","","101.839","0.01","90","","1122.3","1.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O5 -","- C24 H22 Cl N3 O5 -","- C48 H44 Cl2 N6 O10 -","2","1","","Kato, Shuma; Suzuki, Yuko; Suzuki, Kota; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Silver-Catalyzed Diastereo- and Enantioselective Michael Addition and 1,3-Dipolar Cycloaddition Reactions of Imino Esters to 3-Methyl-4-nitro-5-styrylisoxazoles.","The Journal of organic chemistry","2018","83","22","13965","13972","10.1021/acs.joc.8b02309","","","0.71075","MoKα","","0.0675","0.048","","","0.089","0.0998","","","","","","0.96","","","","has coordinates","226363","2020-10-21","18:00:00",""
"4034867","15.809","0.003","37.886","0.008","26.539","0.005","90","","92.29","0.03","90","","15883","5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 Cl2 N4 O4 -","- C38 H40 Cl2 N4 O4 -","- C608 H640 Cl32 N64 O64 -","16","8","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via 1H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.1138","0.1032","","","0.2902","0.3035","","","","","","1.081","","","","has coordinates","226387","2020-10-21","18:00:00",""
"4034875","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","226395","2020-10-21","18:00:00",""
"4034882","12.4593","0.0002","6.8297","0.0001","13.4353","0.0002","90","","101.635","0.001","90","","1119.76","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,7S)-tert-butyl 5-benzyl-7-(3-chlorophenyl)-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0366","0.033","","","0.0873","0.0907","","","","","","1.061","","","","has coordinates","226402","2020-10-21","18:00:00",""
"4034898","8.8193","0.0007","14.8781","0.001","12.257","0.0008","90","","108.396","0.002","90","","1526.11","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H44 Cl Ir N3 O P -","- C29 H44 Cl Ir N3 O P -","- C58 H88 Cl2 Ir2 N6 O2 P2 -","2","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0349","0.0323","","","0.0841","0.0906","","","","","","1.034","","","","has coordinates","226413","2020-10-21","18:00:00",""
"4034909","9.352","0.003","9.221","0.003","11.844","0.003","90","","109.862","0.004","90","","960.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","1","","Wang, Yang; Deng, Lingling; Deng, Yu; Han, Jianlin","Copper-Catalyzed Multicomponent Reaction of DABCO·(SO2)2, Alcohols, and Aryl Diazoniums for the Synthesis of Sulfonic Esters.","The Journal of organic chemistry","2018","83","8","4674","4680","10.1021/acs.joc.8b00447","","","0.71073","MoKα","","0.0473","0.0443","","","0.1308","0.1429","","","","","","1.07","","","","has coordinates","226425","2020-10-21","18:00:00",""
"4034932","5.6098","0.0004","9.7873","0.001","18.627","0.0015","90","","90.672","0.006","90","","1022.64","0.15","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C48 H48 O4 S2 -","2","1","","Zhou, Ping-Xin; Zhang, Yalei; Ge, Chunbo; Liang, Yong-Min; Li, Changzheng","Palladium-Catalyzed Carbene Migratory Insertion and Trapping with Sulfinic Acid Salts toward Allylic Sulfones.","The Journal of organic chemistry","2018","83","8","4762","4768","10.1021/acs.joc.8b00615","","","0.71073","MoKα","","0.0986","0.0574","","","0.101","0.1212","","","","","","0.999","","","","has coordinates","226447","2020-10-21","18:00:00",""
"4034947","9.4315","0.0002","9.5202","0.0002","21.4109","0.0006","90","","98.443","0.003","90","","1901.64","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","1.54184","CuKα","","0.0902","0.063","","","0.1621","0.1888","","","","","","1.138","","","","has coordinates","226457","2020-10-21","18:00:00",""
"4034959","11.3996","0.0013","7.4707","0.0008","31.868","0.004","90","","90.613","0.003","90","","2713.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","2","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ20-Ginsenosides Rh4, (20E)-Rh3, Rg6, and Rk1: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.112","0.0769","","","0.1498","0.1678","","","","","","1.083","","","","has coordinates,has disorder","226468","2020-10-21","18:00:00",""
"4034960","14.271","0.006","7.176","0.003","17.155","0.007","90","","103.984","0.01","90","","1704.8","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H56 O6 -","- C36 H56 O6 -","- C72 H112 O12 -","2","1","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ20-Ginsenosides Rh4, (20E)-Rh3, Rg6, and Rk1: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.1299","0.0701","","","0.1675","0.198","","","","","","1.002","","","","has coordinates","226469","2020-10-21","18:00:00",""
"4034962","9.6558","0.0019","20.213","0.004","14.022","0.003","90","","97.03","0.03","90","","2716.1","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H82 N12 O7 S -","- C41 H82 N12 O7 S -","- C82 H164 N24 O14 S2 -","2","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.1003","0.0773","","","0.1939","0.2352","","","","","","1.07","","","","has coordinates","226471","2020-10-21","18:00:00",""
"4034970","10.0685","0.0001","20.8846","0.0001","12.218","0.0001","90","","103.307","0.001","90","","2500.18","0.04","294.15","","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C112 H136 O16 -","4","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0353","0.0349","","","0.1055","0.106","","","","","","1.075","","","","has coordinates","226478","2020-10-21","18:00:00",""
"4035021","7.1638","0.0004","7.3976","0.0004","18.5628","0.001","90","","96.411","0.002","90","","977.58","0.09","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br N O5 P -","- C18 H19 Br N O5 P -","- C36 H38 Br2 N2 O10 P2 -","2","1","","Hazra, Gurupada; Pratap, Shiv; Ghorai, Prasanta","Organocatalytic, Chemoselective Hydrophosphenylation/oxa-Michael Addition Cascade toward Diastereo- and Enantioenriched 1,3-Dihydroisobenzofuryl Phosphonates.","The Journal of organic chemistry","2018","83","17","9654","9666","10.1021/acs.joc.8b01048","","","0.71073","MoKα","","0.0793","0.0487","","","0.1068","0.1195","","","","","","1.038","","","","has coordinates","226519","2020-10-21","18:00:00",""
"4035025","13.976","0.007","8.894","0.004","16.293","0.008","90","","104.977","0.009","90","","1956.5","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1605","0.086","","","0.1771","0.2048","","","","","","0.916","","","","has coordinates","226523","2020-10-21","18:00:00",""
"4035026","11.104","0.006","9.016","0.005","16.057","0.008","90","","92.807","0.01","90","","1605.6","1.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1092","0.0739","","","0.1665","0.1893","","","","","","0.996","","","","has coordinates","226524","2020-10-21","18:00:00",""
"4035029","8.7161","0.001","7.7989","0.0009","10.9853","0.0012","90","","98.149","0.001","90","","739.2","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C32 H36 I2 N2 O6 -","2","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I2-Mediated α- and β-C(sp3)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.015","0.0148","","","0.0377","0.0377","","","","","","1.108","","","","has coordinates","226527","2020-10-21","18:00:00",""
"4035031","8.7848","0.0008","5.5237","0.0006","12.4287","0.0012","90","","99.342","0.009","90","","595.1","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C22 H34 N2 O6 S2 -","2","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0761","0.0678","","","0.1678","0.179","","","","","","1.052","","","","has coordinates","226529","2020-10-21","18:00:00",""
"4035032","8.0528","0.0003","10.4267","0.0004","20.0816","0.0006","90","","92.974","0.003","90","","1683.86","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.1049","0.1074","","","","","","1.052","","","","has coordinates,has disorder","226530","2020-10-21","18:00:00",""
"4035036","5.01791","0.00018","9.1748","0.0003","14.1441","0.0006","90","","100.168","0.004","90","","640.94","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF3SO3H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.032","0.0304","","","0.0722","0.0731","","","","","","1.038","","","","has coordinates","226534","2020-10-21","18:00:00",""
"4035070","8.98962","0.00008","9.4394","0.00012","14.40897","0.00012","90","","94.9113","0.0008","90","","1218.21","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Chen, Yu; Cui, Bao-Dong; Wang, Yi; Han, Wen-Yong; Wan, Nan-Wei; Bai, Mei; Yuan, Wei-Cheng; Chen, Yong-Zheng","Asymmetric [3 + 2] Cycloaddition Reaction of Isatin-Derived MBH Carbonates with 3-Methyleneoxindoles: Enantioselective Synthesis of 3,3'-Cyclopentenyldispirooxindoles Incorporating Two Adjacent Quaternary Spirostereocenters.","The Journal of organic chemistry","2018","83","17","10465","10475","10.1021/acs.joc.8b01506","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.1152","0.1161","","","","","","1.077","","","","has coordinates","226568","2020-10-21","18:00:00",""
"4035073","11.06116","0.00015","12.025","0.0002","12.97101","0.00018","90","","92.7666","0.0013","90","","1723.27","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","2","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0371","0.0363","","0.0978","0.0965","0.0978","","","","","","0.9982","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035074","5.71465","0.00009","11.1475","0.0002","9.58011","0.00015","90","","106.521","0.0017","90","","585.097","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0274","0.0267","","0.0663","0.0657","0.0663","","","","","","1.0335","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035080","6.1718","0.0012","8.9442","0.0008","19.711","0.002","90","","91.81","0.015","90","","1087.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl3 N O3 -","- C22 H28 Cl3 N O3 -","- C44 H56 Cl6 N2 O6 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0506","0.049","","0.1248","0.1237","0.1248","","","","","","1.0051","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035087","14.6889","0.001","10.2866","0.0007","15.7695","0.0011","90","","90.499","0.001","90","","2382.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 B N4 O7 -","- C22 H35 B N4 O7 -","- C88 H140 B4 N16 O28 -","4","2","","Golovanov, Ivan S.; Mazeina, Galina S.; Nelyubina, Yulia V.; Novikov, Roman A.; Mazur, Anton S.; Britvin, Sergey N.; Tartakovsky, Vladimir A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Exploiting Coupling of Boronic Acids with Triols for a pH-Dependent ""Click-Declick"" Chemistry.","The Journal of organic chemistry","2018","83","17","9756","9773","10.1021/acs.joc.8b01296","","","0.71073","MoKα","","0.0594","0.0443","","","0.0967","0.1056","","","","","","1.003","","","","has coordinates","226574","2020-10-21","18:00:00",""
"4035092","5.976","0.0002","9.0579","0.0004","10.1215","0.0004","90","","91.597","0.002","90","","547.66","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C20 H34 N2 O10 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","1.54178","CuKα","","0.0238","0.0238","","","0.0627","0.0627","","","","","","1.093","","","","has coordinates","226579","2020-10-21","18:00:00",""
"4035093","9.8914","0.0012","11.3971","0.0013","13.1289","0.0015","90","","95.73","0.002","90","","1472.7","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H48 N2 O6 -","- C27 H48 N2 O6 -","- C54 H96 N4 O12 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.0649","0.0507","","","0.1249","0.1363","","","","","","1.049","","","","has coordinates","226580","2020-10-21","18:00:00",""
"4035114","10.9996","0.0005","44.458","0.002","11.2795","0.0005","90","","108.675","0.002","90","","5225.5","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","4","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0575","0.0491","","","0.1299","0.1369","","","","","","1.033","","","","has coordinates","226600","2020-10-21","18:00:00",""
"4035135","10.7835","0.0003","24.3459","0.0005","11.838","0.0003","90","","115.986","0.004","90","","2793.67","0.15","294.7","0.5","294.7","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H63.97 O12 -","- C68 H64 O12 -","- C136 H128 O24 -","2","1","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0723","0.0679","","","0.1837","0.1933","","","","","","1.029","","","","has coordinates,has disorder","226620","2020-10-21","18:00:00",""
"4035136","10.8962","0.0004","16.0389","0.0004","11.6123","0.0003","90","","104.434","0.003","90","","1965.34","0.1","295.77","0.11","295.77","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","2","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1334","0.1377","","","","","","1.026","","","","has coordinates","226621","2020-10-21","18:00:00",""
"4035140","6.8209","0.0007","8.7627","0.001","18.8032","0.0019","90","","99.61","0.004","90","","1108.1","0.2","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N0 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.0888","0.0626","","","0.1509","0.1668","","","","","","1.017","","","","has coordinates","226625","2020-10-21","18:00:00",""
"4035160","9.626","0.003","14.735","0.004","20.914","0.006","90","","89.996","0.004","90","","2966.4","1.5","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 Cl2 N20 O8 -","- C53 H62 Cl2 N20 O8 -","- C106 H124 Cl4 N40 O16 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1111","0.092","","","0.2218","0.2404","","","","","","1.08","","","","has coordinates,has disorder","226640","2020-10-21","18:00:00",""
"4035169","8.237","0.0002","10.4144","0.0003","8.7895","0.0003","90","","102.906","0.001","90","","734.95","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-831","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.046","0.0397","","","0.0999","0.1032","","","","","","1.069","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035170","7.2928","0.0004","11.7582","0.0007","9.4213","0.0005","90","","112.645","0.002","90","","745.6","0.07","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-803","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0378","0.0332","","","0.0743","0.0766","","","","","","1.078","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035195","7.561","0.0005","6.3397","0.0004","27.0124","0.0016","90","","92.236","0.006","90","","1293.84","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","","0.71073","MoKα","","0.1171","0.1136","","","0.3013","0.3038","","","","","","1.105","","","","has coordinates","226672","2020-10-21","18:00:00",""
"4035202","9.4708","0.0008","7.4003","0.0006","14.1551","0.0012","90","","95.154","0.003","90","","988.07","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2014/7","","- C22 H20 Cl N3 O3 -","- C22 H20 Cl N3 O3 -","- C44 H40 Cl2 N6 O6 -","2","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0456","0.0387","","","0.0892","0.0921","","","","","","1.006","","","","has coordinates","226680","2020-10-21","18:00:00",""
"4035205","8.7508","0.0006","7.8977","0.0005","14.1765","0.0011","90","","95.447","0.004","90","","975.33","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Li, Shuang; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Wang, Chao-Ming; Xiao, Jun-An; Chen, Xiao-Qing; Xiang, Hao-Yue; Yang, Hua","Organocatalytic Domino Entry to an Octahydroacridine Scaffold Bearing Three Contiguous Stereocenters.","The Journal of organic chemistry","2018","83","19","12284","12290","10.1021/acs.joc.8b01875","","","0.71073","MoKα","","0.0442","0.0427","","","0.1258","0.1282","","","","","","1.043","","","","has coordinates","226683","2020-10-21","18:00:00",""
"4035265","7.0538","0.0007","8.4543","0.0007","8.3005","0.001","90","","99.725","0.01","90","","487.89","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl3/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0471","0.038","","","0.0747","0.0806","","","","","","1.093","","","","has coordinates","226731","2020-10-21","18:00:00",""
"4035281","9.3652","0.0017","10.803","0.002","11.038","0.002","90","","102.554","0.002","90","","1090","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Br F2 N2 O3 -","- C23 H21 Br F2 N2 O3 -","- C46 H42 Br2 F4 N4 O6 -","2","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0645","0.0441","","","0.11","0.1223","","","","","","1.011","","","","has coordinates","226747","2020-10-21","18:00:00",""
"4035286","6.9994","0.0003","10.6106","0.0005","7.0797","0.0003","90","","99.157","0.004","90","","519.09","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H9 F2 N O3 -","- C11 H9 F2 N O3 -","- C22 H18 F4 N2 O6 -","2","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH2 Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0328","0.0309","","","0.0767","0.0784","","","","","","1.066","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035294","6.817","0.004","7.077","0.004","15.985","0.009","90","","101.96","0.007","90","","754.4","0.7","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C32 H30 N10 O6 -","2","1","","Bala, Saikat; Liao, Jen-Yu; Zhang, Li; Tran, Chantel N.; Chim, Nicholas; Chaput, John C.","Synthesis of 2'-Deoxy-α-l-threofuranosyl Nucleoside Triphosphates.","The Journal of organic chemistry","2018","83","16","8840","8850","10.1021/acs.joc.8b00875","","","0.71073","MoKα","","0.0324","0.0311","","","0.0791","0.0801","","","","","","1.048","","","","has coordinates","226758","2020-10-21","18:00:00",""
"4035296","11.4544","0.0002","9.3869","0.0002","12.7713","0.0003","90","","115.08","0.001","90","","1243.72","0.05","302","2","301.72","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N3 O2 -","- C30 H27 N3 O2 -","- C60 H54 N6 O4 -","2","1","","Li, Can; Xu, Dan-Ni; Ma, Chun; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Dihydrobenzo[ e]indole Scaffolds via Catalytic Asymmetric [3 + 2] Cycloannulations.","The Journal of organic chemistry","2018","83","16","9190","9200","10.1021/acs.joc.8b01217","","","1.34139","GaKα","","0.0576","0.0491","","","0.106","0.1128","","","","","","1.1","","","","has coordinates,has disorder","226760","2020-10-21","18:00:00",""
"4035300","9.918","0.0004","9.8167","0.0004","12.7446","0.0005","90","","99.023","0.002","90","","1225.49","0.09","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl2 F6 N3 O2 S -","- C20 H23 Cl2 F6 N3 O2 S -","- C40 H46 Cl4 F12 N6 O4 S2 -","2","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0514","0.0494","","","0.1448","0.1465","","","","","","1.047","","","","has coordinates,has disorder","226765","2020-10-21","18:00:00",""
"4035380","9.00787","0.00016","17.6893","0.0004","10.8349","0.0002","90","","105.322","0.0011","90","","1665.1","0.06","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H34 N2 O5 S2 -","- C42 H34 N2 O5 S2 -","- C84 H68 N4 O10 S4 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0637","","","","0.1706","","","","","","1.073","","","","has coordinates","226837","2020-10-21","18:00:00",""
"4035404","8.8724","0.0003","15.4191","0.0005","11.6823","0.0003","90","","101.762","0.0016","90","","1564.64","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 Cl2 N2 O2 Zn -","- C34 H38 Cl2 N2 O2 Zn -","- C68 H76 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0777","0.0506","","","0.0844","0.0947","","","","","","1.062","","","","has coordinates,has disorder","226862","2020-10-21","18:00:00",""
"4035423","11.283","0.005","8.734","0.004","16.552","0.008","90","","92.249","0.008","90","","1629.9","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H32 O2 P2 -","- C40 H32 O2 P2 -","- C80 H64 O4 P4 -","2","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1075","0.0465","","","0.0879","0.1109","","","","","","0.812","","","","has coordinates","226881","2020-10-21","18:00:00",""
"4035424","10.2427","0.0017","27.713","0.005","12.453","0.002","90","","105.65","0.003","90","","3403.8","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","2","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1239","0.0553","","","0.1222","0.1544","","","","","","0.967","","","","has coordinates","226882","2020-10-21","18:00:00",""
"4035426","8.3398","0.00013","10.15555","0.00018","10.95054","0.00019","90","","93.5771","0.0015","90","","925.65","0.03","294.6","0.5","294.6","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F O3 -","- C22 H21 F O3 -","- C44 H42 F2 O6 -","2","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","x-ray","1.54184","CuKα","","0.0699","0.0685","","","0.1462","0.1502","","","","","","1.16","","","","has coordinates","226884","2020-10-21","18:00:00",""
"4035438","5.0861","0.0007","25.238","0.004","7.1023","0.0013","90","","99.505","0.002","90","","899.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Br2 N2 O4 -","- C14 H26 Br2 N2 O4 -","- C28 H52 Br4 N4 O8 -","2","1","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.025","0.0226","","","0.0449","0.0454","","","","","","0.918","","","","has coordinates","226896","2020-10-21","18:00:00",""
"4035439","17.808","0.006","7.964","0.003","21.315","0.007","90","","112.289","0.003","90","","2797.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N4 O7 S -","- C26 H36 N4 O7 S -","- C104 H144 N16 O28 S4 -","4","2","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.1583","0.0613","","","0.0982","0.1247","","","","","","1.023","","","","has coordinates,has disorder","226897","2020-10-21","18:00:00",""
"4035443","11.0321","0.0005","11.4646","0.0005","11.5824","0.0005","90","","95.6775","0.0006","90","","1457.74","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 N2 O3 -","- C34 H36 N2 O3 -","- C68 H72 N4 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0461","0.0385","","","0.0903","0.0952","","","","","","1.033","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035448","9.9065","0.0003","6.007","0.0002","11.3732","0.0003","90","","95.001","0.001","90","","674.22","0.04","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O4 -","- C11 H18 N4 O4 -","- C22 H36 N8 O8 -","2","1","","Zwick, 3rd, Christian R; Renata, Hans","Evolution of Biocatalytic and Chemocatalytic C-H Functionalization Strategy in the Synthesis of Manzacidin C.","The Journal of organic chemistry","2018","83","14","7407","7415","10.1021/acs.joc.8b00248","","x-ray","1.54178","CuKα","K-L~3~","0.0266","0.026","","","0.069","0.0695","","","","","","1.048","","","","has coordinates","226903","2020-10-21","18:00:00",""
"4035451","9.476","0.002","32.295","0.008","17.436","0.005","90","","90","","90","","5336","2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","","0.71073","MoKα","","0.1091","0.0374","","","0.0667","0.0836","","","","","","0.531","","","","has coordinates","226906","2020-10-21","18:00:00",""
"4035452","9.4747","0.0003","32.2996","0.0016","17.4267","0.0009","90","","90.412","0.004","90","","5332.9","0.4","293.7","0.1","293.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.1862","0.0765","","","0.0877","0.1229","","","","","","0.992","","","","has coordinates","226907","2020-10-21","18:00:00",""
"4035458","7.7133","0.0002","7.17114","0.00015","15.5989","0.0004","90","","103.88","0.003","90","","837.63","0.04","294","1","294","1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","4-((1S,2S,3S,5S,6R)-1-formyl-2,3-dimethyl-4-oxobicyclo[3.1.0]hexan-6-yl) -2-methoxyphenyl acetate","","- C18 H20 O5 -","- C18 H20 O5 -","- C36 H40 O10 -","2","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0407","0.038","","","0.1056","0.1091","","","","","","1.078","","","","has coordinates","226913","2020-10-21","18:00:00",""
"4035467","12.6402","0.0006","5.7117","0.0003","14.0248","0.0007","90","","94.438","0.005","90","","1009.51","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O2 S2 -","- C20 H26 N2 O2 S2 -","- C40 H52 N4 O4 S4 -","2","1","","Zhang, Lei; Sun, Beiqi; Liu, Qianyi; Mo, Fanyang","Addition of Diazo Compounds ipso-C-H Bond to Carbon Disulfide: Synthesis of 1,2,3-Thiadiazoles under Mild Conditions.","The Journal of organic chemistry","2018","83","7","4275","4278","10.1021/acs.joc.8b00383","","x-ray","0.71073","MoKα","","0.0362","0.0342","","","0.0894","0.0908","","","","","","1.04","","","","has coordinates","226922","2020-10-21","18:00:00",""
"4035472","6.2149","0.0017","5.5203","0.0015","19.393","0.005","90","","93.525","0.004","90","","664.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0548","0.0417","","","0.0892","0.0951","","","","","","1.054","","","","has coordinates","226927","2020-10-21","18:00:00",""
"4035473","5.334","0.0014","28.191","0.008","13.242","0.004","90","","90.465","0.004","90","","1991.1","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C84 H90 N18 O18 -","6","3","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.128","0.0618","","","0.1201","0.1519","","","","","","0.992","","","","has coordinates","226928","2020-10-21","18:00:00",""
"4035483","12.183","0.002","5.5641","0.0011","14.891","0.003","90","","104.08","0.03","90","","979.1","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 Cl O6 -","- C24 H17 Cl O6 -","- C48 H34 Cl2 O12 -","2","1","","Cui, Liying; Lv, Dan; Wang, Youming; Fan, Zhijin; Li, Zhengming; Zhou, Zhenghong","Asymmetric Formal [4 + 2] Annulation of o-Quinone Methides with β-Keto Acylpyrazoles: A General Approach to Optically Active trans-3,4-Dihydrocoumarins.","The Journal of organic chemistry","2018","83","7","4221","4228","10.1021/acs.joc.8b00234","","","0.71073","MoKα","","0.0784","0.0547","","","0.1165","0.1747","","","","","","1.053","","","","has coordinates","226935","2020-10-21","18:00:00",""
"4035487","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","226939","2020-10-21","18:00:00",""
"4035496","11.6873","0.0003","15.3134","0.0003","14.6013","0.0004","90","","110.631","0.003","90","","2445.64","0.11","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","1","0.5","","Sun, Weiye; Gu, Haorui; Lin, Xufeng","Synthesis and Application of Hexamethyl-1,1'-spirobiindane-Based Phosphine-Oxazoline Ligands in Ni-Catalyzed Asymmetric Arylation of Cyclic Aldimines.","The Journal of organic chemistry","2018","83","7","4034","4043","10.1021/acs.joc.8b00422","","","1.54184","CuKα","","0.0637","0.0585","","","0.1537","0.1623","","","","","","1.046","","","","has coordinates","226946","2020-10-21","18:00:00",""
"4035497","4.5911","0.0002","14.4019","0.0004","12.1555","0.0004","90","","90.25","0.003","90","","803.72","0.05","297.28","0.12","297.28","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","Guo, Shenghai; Wang, Fang; Tao, Li; Zhang, Xinying; Fan, Xuesen","Solvent-Dependent Copper-Catalyzed Indolyl C3-Oxygenation and N1-Cyclization Reactions: Selective Synthesis of 3 H-Indol-3-ones and Indolo[1,2- c]quinazolines.","The Journal of organic chemistry","2018","83","7","3889","3896","10.1021/acs.joc.8b00231","","","1.54184","CuKα","","0.0512","0.0446","","","0.1108","0.1167","","","","","","1.048","","","","has coordinates","226947","2020-10-21","18:00:00",""
"4035510","8.5915","0.0002","7.48777","0.00015","12.7605","0.0004","90","","108.58","0.003","90","","778.11","0.04","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Arachchige, Pandula T Kirinde; Lee, Hanbin; Yi, Chae S.","Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines.","The Journal of organic chemistry","2018","83","9","4932","4947","10.1021/acs.joc.8b00649","","x-ray","1.54184","CuKα","","0.0321","0.0294","","","0.0711","0.0732","","","","","","1.064","","","","has coordinates","226958","2020-10-21","18:00:00",""
"4035522","8.4077","0.0005","16.3992","0.0009","12.0895","0.0006","90","","108.711","0.0006","90","","1578.79","0.15","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N5 O3 -","- C17 H13 N5 O3 -","- C68 H52 N20 O12 -","4","2","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0328","0.0315","","","0.0752","0.0761","","","","","","1.006","","","","has coordinates","226970","2020-10-21","18:00:00",""
"4035525","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Gonçalves, Kaliandra de Almeida; Trivella, Daniela B. B.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone: Synthesis Approaches and Cytotoxic Studies.","The Journal of organic chemistry","2018","83","9","5160","5176","10.1021/acs.joc.8b00514","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","226973","2020-10-21","18:00:00",""
"4035532","10.854","0.0005","5.5969","0.0003","15.0011","0.0009","90","","107.715","0.006","90","","868.09","0.09","293","2","293","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","Unknown","","- C18 H16 Br N O5 -","- C18 H16 Br N O5 -","- C36 H32 Br2 N2 O10 -","2","1","","Mondal, Keshab; Pan, Subhas Chandra","Organocatalytic Asymmetric Domino Michael/Acyl Transfer Reaction between γ/δ-Hydroxyenones and α-Nitroketones.","The Journal of organic chemistry","2018","83","9","5301","5312","10.1021/acs.joc.8b00436","","x-ray","0.71073","MoKα","","0.0592","0.0411","","","0.0834","0.0946","","","","","","1.034","","","","has coordinates","226980","2020-10-21","18:00:00",""
"4035613","5.5636","0.0001","10.0307","0.0003","17.1567","0.0004","90","","94.85","0.002","90","","954.03","0.04","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Huang, Yekai; Li, Yanan; Sun, Jianan; Li, Jindong; Zha, Zhenggen; Wang, Zhiyong","Enantioselective Hetero-Diels-Alder Reaction and the Synthesis of Spiropyrrolidone Derivatives.","The Journal of organic chemistry","2018","83","15","8464","8472","10.1021/acs.joc.8b01057","","","1.54184","CuKα","","0.0405","0.0401","","","0.1076","0.1082","","","","","","1.04","","","","has coordinates","227062","2020-10-21","18:00:00",""
"4035662","6.4257","0.0007","8.6814","0.0009","15.9381","0.0016","90","","100.193","0.006","90","","875.06","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","","Ray, Bidisha; Mukherjee, Santanu","Direct Catalytic Enantioselective Vinylogous Aldol Reaction of Allyl Ketones to Pyrazole-4,5-diones.","The Journal of organic chemistry","2018","83","18","10871","10880","10.1021/acs.joc.8b01566","","","0.71073","MoKα","","0.0313","0.028","","","0.063","0.0649","","","","","","1.023","","","","has coordinates","227110","2020-10-21","18:00:00",""
"4035680","5.581","0.0004","18.9438","0.0014","9.1233","0.0007","90","","93.554","0.005","90","","962.71","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C48 H36 Cl2 N2 O6 -","2","1","","Balha, Megha; Pan, Subhas Chandra","Organocatalytic Asymmetric Synthesis of Bridged Acetals with Spirooxindole Skeleton.","The Journal of organic chemistry","2018","83","23","14703","14712","10.1021/acs.joc.8b02156","","","0.71073","MoKα","","0.0353","0.031","","","0.0561","0.0573","","","","","","1.143","","","","has coordinates","227128","2020-10-21","18:00:00",""
"4035682","8.0101","0.0006","8.1359","0.0007","33.077","0.002","90","","96.127","0.004","90","","2143.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C72 H136 O20 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1686","0.1221","","","0.3039","0.3319","","","","","","1.029","","","","has coordinates,has disorder","227130","2020-10-21","18:00:00",""
"4035687","10.8985","0.0005","6.7166","0.0004","11.0406","0.0005","90","","90.531","0.003","90","","808.15","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Hirasawa, Shun; Mukai, Ken; Sakai, Shinnosuke; Wakamori, Shinnosuke; Hasegawa, Takahiro; Souma, Kazunori; Kanomata, Nobuhiro; Ogawa, Narihito; Aizawa, Mamoru; Emoto, Makoto","Elucidation of Racemization Process of Azaspirene Skeleton in Neutral Aqueous Media.","The Journal of organic chemistry","2018","83","23","14457","14464","10.1021/acs.joc.8b02223","","","1.54187","CuKα","","","0.0465","","","","0.1369","","","","","","1.232","","","","has coordinates","227135","2020-10-21","18:00:00",""
"4035731","6.077","0.0012","5.3497","0.0011","18.327","0.004","90","","91.47","0.03","90","","595.6","0.2","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 N3 O3 -","- C14 H9 N3 O3 -","- C28 H18 N6 O6 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1167","0.0628","","","0.1516","0.1871","","","","","","1.01","","","","has coordinates","227179","2020-10-21","18:00:00",""
"4035790","8.1721","0.0003","10.6004","0.0005","13.6501","0.0005","90","","95.223","0.003","90","","1177.56","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 Si -","- C24 H31 N O2 Si -","- C48 H62 N2 O4 Si2 -","2","1","","Zheng, Nan; Song, Wangze; Zhang, Tiexin; Li, Ming; Zheng, Yubin; Chen, Lingyue","Rhodium-Catalyzed Highly Regioselective and Stereoselective Intermolecular Hydrosilylation of Internal Ynamides under Mild Conditions.","The Journal of organic chemistry","2018","83","11","6210","6216","10.1021/acs.joc.8b00695","","","0.71073","MoKα","","0.0402","0.0346","","","0.0839","0.0874","","","","","","1.039","","","","has coordinates","227222","2020-10-21","18:00:00",""
"4035811","12.092","0.004","27.403","0.008","23.358","0.009","90","","93.3","0.03","90","","7727","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.7 H52.6 Br K N8 O1.6 -","- C40.6765 H50.706 Br0.99975 K N8 O1.55625 -","- C325.412 H405.648 Br7.998 K8 N64 O12.45 -","8","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1385","0.0775","","","0.1372","0.1589","","","","","","1.001","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035852","8.2991","0.0003","5.68602","0.00017","15.9291","0.0004","90","","103.299","0.003","90","","731.52","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N2 O3 -","- C16 H12 Br N2 O3 -","- C32 H24 Br2 N4 O6 -","2","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0622","0.0414","","","0.0705","0.0802","","","","","","0.985","","","","has coordinates","227264","2020-10-21","18:00:00",""
"4035853","9.76","0.03","8.667","0.017","27.31","0.05","90.08","0.09","91.13","0.14","89.89","0.09","2310","9","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N O3 S -","- C23 H33 N O3 S -","- C92 H132 N4 O12 S4 -","4","2","","Reddy, Leleti Rajender; Kotturi, Sharadsrikar; Waman, Yogesh; Patel, Chirag; Danidharia, Megha; Shenoy, Rajesh","Asymmetric Synthesis of α-(Diarylmethyl) Alkyl Amines through Regioselective Lithiation of α-Diarylmethanes and the Diastereoselective Addition to Ellman's Imines.","The Journal of organic chemistry","2018","83","12","6573","6579","10.1021/acs.joc.8b00879","","","0.71075","MoKα","","","0.082","","","","0.2058","","","","","","0.951","","","","has coordinates","227265","2020-10-21","18:00:00",""
"4035877","7.975","0.003","22.255","0.007","20.676","0.007","90","","98.222","0.006","90","","3632","2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 N9 O8 S2 -","- C34 H31 N9 O8 S2 -","- C136 H124 N36 O32 S8 -","4","2","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1196","0.097","","","0.2257","0.2462","","","","","","1.08","","","","has coordinates,has disorder","227285","2020-10-21","18:00:00",""
"4035880","8.7236","0.0005","11.9043","0.0004","8.7256","0.0004","90","","118.539","0.007","90","","796.04","0.08","200","1","200","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C30 H30 Br2 F6 N2 O6 -","2","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0395","0.0336","","","0.0766","0.0835","","","","","","0.813","","","","has coordinates","227288","2020-10-21","18:00:00",""
"4035910","7.3869","0.0004","7.8823","0.0005","16.1317","0.0009","90","","96.726","0.005","90","","932.82","0.09","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl F2 N3 O2 -","- C19 H20 Cl F2 N3 O2 -","- C38 H40 Cl2 F4 N6 O4 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.0812","0.0557","","","0.0932","0.1188","","","","","","1.055","","","","has coordinates","227310","2020-10-21","18:00:00",""
"4035927","10.21201","0.00018","8.56525","0.00017","13.5471","0.0003","90","","93.5862","0.0017","90","","1182.62","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N3 O5 S -","- C25 H20 F3 N3 O5 S -","- C50 H40 F6 N6 O10 S2 -","2","1","","Wang, Cong; Li, Nan; Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Asymmetric Michael Addition of 2-Acetyl Azaarenes to β-CF3-β-(3-indolyl)nitroalkenes Catalyzed by a Cobalt(II)/(imidazoline-oxazoline) Complex.","The Journal of organic chemistry","2019","84","1","191","203","10.1021/acs.joc.8b02601","","x-ray","1.54184","CuKα","","0.0368","0.0351","","","0.0917","0.0941","","","","","","1.059","","","","has coordinates","227320","2020-10-21","18:00:00",""
"4035930","6.1289","0.0001","9.1873","0.0002","18.5609","0.0003","90","","97.518","0.001","90","","1036.14","0.03","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O8 -","- C22 H30 O8 -","- C44 H60 O16 -","2","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0474","0.0403","","","0.0939","0.0979","","","","","","1.055","","","","has coordinates","227323","2020-10-21","18:00:00",""
"4035952","5.6641","0.0001","8.0176","0.0002","19.4004","0.0004","90","","94.876","0.002","90","","877.83","0.03","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O4 -","- C20 H19 Br O4 -","- C40 H38 Br2 O8 -","2","1","","Hoffmeyer, Patrick; Schneider, Christoph","Stereoselective Synthesis of 2,3,5-Trisubstituted Tetrahydrofurans Initiated by a Titanium-BINOLate-Catalyzed Vinylogous Aldol Reaction.","The Journal of organic chemistry","2019","84","2","1079","1084","10.1021/acs.joc.8b02828","","","0.71073","MoKα","","0.033","0.0264","","","0.054","0.0566","","","","","","1.03","","","","has coordinates,has disorder","227345","2020-10-21","18:00:00",""
"4035962","5.75922","0.00014","24.0052","0.0005","10.1828","0.0002","90","","104.555","0.002","90","","1362.6","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C48 H78 N4 O12 P2 S2 -","2","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.0902","0.0931","","","","","","1.066","","","","has coordinates,has disorder","227355","2020-10-21","18:00:00",""
"4035973","3.8638","0.0003","12.3396","0.0009","23.9712","0.0019","90","","90.007","0.004","90","","1142.89","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2-phenyl-5-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.068","0.0434","","","0.1198","0.1414","","","","","","1.028","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035976","11.2142","0.0006","25.3615","0.0011","11.4422","0.0007","90","","108.702","0.002","90","","3082.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H29 Cl N2 O4.5 -","- C33.5 H29 Cl N2 O4.5 -","- C134 H116 Cl4 N8 O18 -","4","2","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.061","0.0509","","","0.1365","0.1436","","","","","","1.057","","","","has coordinates,has disorder","227366","2020-10-21","18:00:00",""
"4036003","15.9367","0.0002","6.7628","0.0001","16.9558","0.0003","90","","117.243","0.0008","90","","1624.73","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 F3 N2 O4 -","- C14 H13 F3 N2 O4 -","- C56 H52 F12 N8 O16 -","4","2","","Hu, Bin; Deng, Li","Direct Catalytic Asymmetric Synthesis of Trifluoromethylated γ-Amino Esters/Lactones via Umpolung Strategy.","The Journal of organic chemistry","2019","84","2","994","1005","10.1021/acs.joc.8b02893","","","1.5418","CuKα","","0.0243","0.0236","","0.0623","0.0617","0.0623","","","","","","0.9971","","","","has coordinates,has disorder","227377","2020-10-21","18:00:00",""
"4036005","14.1404","0.0002","22.9172","0.0003","14.4095","0.0002","90","","109.755","0.002","90","","4394.7","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl O12 S3 -","- C39.5 H57 Cl O12 S3 -","- C158 H228 Cl4 O48 S12 -","4","2","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","x-ray","1.54184","CuKα","","0.0618","0.0591","","","0.1735","0.1793","","","","","","1.028","","","","has coordinates","227379","2020-10-21","18:00:00",""
"4036008","6.3754","0.0003","19.036","0.0009","10.9599","0.0006","90","","102.276","0.0012","90","","1299.7","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H26 Br2 O5 -","- C30 H26 Br2 O5 -","- C60 H52 Br4 O10 -","2","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","0.71073","MoKα","","0.0386","0.0329","","","0.0803","0.083","","","","","","1.039","","","","has coordinates","227382","2020-10-21","18:00:00",""
"4036011","9.748","0.0008","25.918","0.002","10.3862","0.0007","90","","100.71","0.002","90","","2578.3","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C112 H112 N8 O20 S4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0841","0.0572","","","0.138","0.1583","","","","","","1.05","","","","has coordinates","227385","2020-10-21","18:00:00",""
"4036012","8.3716","0.0004","50.033","0.003","8.3726","0.0004","90","","107.899","0.001","90","","3337.2","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H40 N2 O5 S Si -","- C33 H40 N2 O5 S Si -","- C132 H160 N8 O20 S4 Si4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0716","0.0514","","","0.1171","0.1321","","","","","","1.022","","","","has coordinates","227386","2020-10-21","18:00:00",""
"4036016","6.7672","0.0002","11.7433","0.0004","7.7423","0.0003","90","","112.125","0.002","90","","569.97","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0417","0.0381","","","0.0949","0.1027","","","","","","1.068","","","","has coordinates","227390","2020-10-21","18:00:00",""
"4036019","10.2358","0.0007","8.6625","0.0006","12.4764","0.001","90","","90.477","0.002","90","","1106.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O8 -","- C17 H33 N3 O8 -","- C34 H66 N6 O16 -","2","1","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","0.71073","MoKα","","0.0487","0.0392","","","0.0866","0.0908","","","","","","1.042","","","","has coordinates","227393","2020-10-21","18:00:00",""
"4036042","6.639","0.003","8.413","0.003","36.816","0.016","90","","90.173","0.01","90","","2056.3","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.1099","0.062","","","0.1167","0.1467","","","","","","0.973","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036045","6.696","0.002","13.783","0.004","10.694","0.004","90","","102.69","0.008","90","","962.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C40 H60 N4 O6 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0798","0.0599","","","0.147","0.1601","","","","","","1.026","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036066","8.4719","0.0002","11.2069","0.0003","9.3465","0.0003","90","","92.107","0.001","90","","886.79","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C36 H34 I2 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0507","0.0476","","","0.1195","0.1231","","","","","","1.065","","","","has coordinates","227917","2020-10-21","18:00:00",""
"4036071","6.556","0.0004","12.1153","0.0008","9.5191","0.0007","90","","93.513","0.003","90","","754.66","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O -","- C20 H28 O -","- C40 H56 O2 -","2","1","","Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.","Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02293","","","0.71073","MoKα","","0.0745","0.0622","","","0.1694","0.1838","","","","","","1.4","","","","has coordinates","227922","2020-10-21","18:00:00",""
"4036073","11.8379","0.0005","14.0015","0.0006","12.0981","0.0006","90","","106.742","0.003","90","","1920.24","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 I N O3 -","- C20 H16 I N O3 -","- C80 H64 I4 N4 O12 -","4","2","","Donthoju, Ashok; Magham, Lakshmi Revati; Singh, Neetu; Manjula, Nemali; Chegondi, Rambabu","Enantioselective Desymmetrization of Prochiral Cyclopentene-1,3-diones Triggered by Remote C(sp2)-N Bond Formation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02411","","","0.71073","MoKα","","0.062","0.0449","","","0.1201","0.1328","","","","","","0.929","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036107","8.5115","0.0006","11.0465","0.0006","11.2349","0.0007","90","","105.865","0.007","90","","1016.09","0.12","294.29","0.1","294.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.0628","0.0493","","","0.1157","0.1336","","","","","","1.07","","","","has coordinates,has disorder","234253","2020-10-21","18:00:00",""
"4036118","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine a: application of a silicon-directed mukaiyama-type [3 + 2]-annulation.","The Journal of organic chemistry","2015","80","6","2959","2971","10.1021/acs.joc.5b00051","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","234262","2020-10-21","18:00:00",""
"4036120","11.449","0.005","4.911","0.002","12.034","0.005","90","","95.046","0.008","90","","674","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Ling; Yang, Wen; Pan, Xuejing; Tao, Meng; Cheng, Guo; Wang, Sanyong; Zeng, Heping; Long, Yuhua; Yang, Dingqiao","Platinum-catalyzed asymmetric ring-opening reactions of oxabenzonorbornadienes with phenols.","The Journal of organic chemistry","2015","80","5","2503","2512","10.1021/acs.joc.5b00065","","","0.71073","MoKα","","0.1076","0.0492","","","0.1235","0.1676","","","","","","0.735","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036125","9.3627","0.0004","9.4005","0.0003","11.8314","0.0005","90","","97.518","0.004","90","","1032.38","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0636","0.0546","","","0.1416","0.1554","","","","","","1.033","","","","has coordinates","234274","2020-10-21","18:00:00",""
"4036126","11.1565","0.0003","9.6548","0.0002","15.7965","0.0004","90","","103.487","0.002","90","","1654.58","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48 N4 O -","- C38 H48 N4 O -","- C76 H96 N8 O2 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0577","0.0555","","","0.1508","0.1556","","","","","","1.039","","","","has coordinates","234275","2020-10-21","18:00:00",""
"4036130","11.324","0.002","8.6176","0.0018","11.838","0.003","90","","105.763","0.004","90","","1111.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N2 O P -","- C25 H25 N2 O P -","- C50 H50 N4 O2 P2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0397","0.0338","","","0.0777","0.0812","","","","","","1.037","","","","has coordinates","234283","2020-10-21","18:00:00",""
"4036134","9.6199","0.0002","13.6428","0.0003","10.5086","0.0003","90","","111.148","0.0013","90","","1286.29","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0792","","","","0.2214","","","","","","1.07","","","","has coordinates","234289","2020-10-21","18:00:00",""
"4036141","9.9438","0.0016","17.258","0.003","27.89","0.005","90","","98.592","0.003","90","","4732.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1668","0.1002","","","0.2783","0.3288","","","","","","1.094","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036142","9.947","0.0016","17.253","0.003","27.87","0.005","90","","98.649","0.003","90","","4728.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1072","0.0618","","","0.18","0.2173","","","","","","0.986","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036149","10.723","0.0004","6.055","0.0002","13.7208","0.0005","90","","105.927","0.001","90","","856.66","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl3 N O2 S -","- C14 H18 Cl3 N O2 S -","- C28 H36 Cl6 N2 O4 S2 -","2","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0283","0.0281","","","0.0717","0.072","","","","","","1.068","","","","has coordinates","234309","2020-10-21","18:00:00",""
"4036166","6.4823","0.0004","8.3175","0.0006","13.0478","0.0008","90","","93.143","0.004","90","","702.43","0.08","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0482","0.0445","","","0.1134","0.1174","","","","","","1.044","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036167","6.4701","0.0009","8.3119","0.001","13.054","0.002","90","","93.313","0.005","90","","700.86","0.17","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0727","0.0674","","","0.1796","0.1886","","","","","","1.058","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036170","12.4099","0.0018","4.9012","0.0007","21.768","0.003","90","","105.392","0.008","90","","1276.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 F3 N2 O5 -","- C28 H27 F3 N2 O5 -","- C56 H54 F6 N4 O10 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0695","0.0416","","","0.1175","0.1446","","","","","","1.068","","","","has coordinates","234342","2020-10-21","18:00:00",""
"4036171","4.7783","0.0002","24.114","0.001","10.8711","0.0005","90","","98.831","0.004","90","","1237.76","0.09","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 F3 N2 O4 -","- C27 H31 F3 N2 O4 -","- C54 H62 F6 N4 O8 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54184","CuKα","","0.0697","0.0689","","","0.1892","0.1901","","","","","","1.014","","","","has coordinates","234344","2020-10-21","18:00:00",""
"4036172","14.4409","0.0006","6.4059","0.0003","21.8029","0.001","90","","94.977","0.003","90","","2009.32","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 N2 O3 -","- C20 H25 F3 N2 O3 -","- C80 H100 F12 N8 O12 -","4","2","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0715","0.0623","","","0.1804","0.1935","","","","","","1.05","","","","has coordinates","234346","2020-10-21","18:00:00",""
"4036184","7.7461","0.0002","13.7554","0.0003","8.0544","0.0006","90","","106.57","0.007","90","","822.56","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","compound 2","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.0731","0.0615","","","0.1639","0.1909","","","","","","1.111","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036194","7.5978","0.0002","8.3479","0.0002","12.4229","0.0003","90","","97.7471","0.0012","90","","780.74","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C32 H36 N4 O10 -","2","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0466","0.0402","","","0.0974","0.1029","","","","","","1.063","","","","has coordinates","234371","2020-10-21","18:00:00",""
"4036203","11.28023","0.00018","6.62379","0.00009","13.9299","0.0002","90","","100.736","0.0015","90","","1022.59","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 B O P -","- C21 H34 B O P -","- C42 H68 B2 O2 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0789","0.0795","","","","","","1.059","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036204","6.57388","0.00009","24.3738","0.0003","10.48088","0.00015","90","","96.6403","0.0013","90","","1668.09","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O2 P -","- C15 H30 B O2 P -","- C60 H120 B4 O8 P4 -","4","2","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0351","0.0346","","","0.092","0.0926","","","","","","1.067","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036206","6.5151","0.0001","10.6435","0.0002","11.8462","0.0003","90","","104.009","0.001","90","","797.02","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C34 H46 O6 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.0559","0.0377","","","0.0816","0.0899","","","","","","1.059","","","","has coordinates","234390","2020-10-21","18:00:00",""
"4036212","10.6029","0.0015","8.4121","0.0011","13.0245","0.0017","90","","109.451","0.005","90","","1095.4","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","epoxide; Structure 10","(3aR,5S,6S,6aR)-6-benzyloxy-5- (benzyloxymethyl)-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-6,6a-dihydro-3aH-furo[2,3 -d][1,3]dioxole","","- C24 H28 O6 -","- C24 H28 O6 -","- C48 H56 O12 -","2","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0516","0.0379","","","0.1003","0.1165","","","","","","1.125","","","","has coordinates","234398","2020-10-21","18:00:00",""
"4036222","17.061","0.0005","17.2598","0.0007","23.1595","0.0006","90","","95.062","0.001","90","","6793.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C138 H168 F6 O44 P4 S2 Y2 -","- C114 H112 F6 O44 P4 S2 Y2 -","- C228 H224 F12 O88 P8 S4 Y4 -","2","1","","Deng, Yongming; Karunaratne, Chamini V.; Csatary, Erika; Tierney, David L.; Wheeler, Kraig; Wang, Hong","Chiral Bimetallic Catalysts Derived from Chiral Metal Phosphates: Enantioselective Three-Component Asymmetric Aza-Diels-Alder Reactions of Cyclic Ketones.","The Journal of organic chemistry","2015","80","16","7984","7993","10.1021/acs.joc.5b00895","","","1.54178","CuKα","","0.1205","0.1152","","","0.3054","0.3176","","","","","","1.484","","","","has coordinates,has disorder","234411","2020-10-21","18:00:00",""
"4036247","5.5897","0.0004","16.686","0.0011","9.1104","0.0006","90","","97.632","0.003","90","","842.2","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O8 -","- C16 H22 O8 -","- C32 H44 O16 -","2","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0237","0.0224","","","0.0559","0.0565","","","","","","1.047","","","","has coordinates","234447","2020-10-21","18:00:00",""
"4036253","10.7088","0.0006","44.986","0.002","11.2096","0.0006","90","","91.109","0.003","90","","5399.2","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H114 N9 O39 -","- C110 H114 N9 O39 -","- C220 H228 N18 O78 -","2","1","","Shao, Chang-Lun; Linington, Roger G.; Balunas, Marcy J.; Centeno, Argelis; Boudreau, Paul; Zhang, Chen; Engene, Niclas; Spadafora, Carmenza; Mutka, Tina S.; Kyle, Dennis E.; Gerwick, Lena; Wang, Chang-Yun; Gerwick, William H.","Bastimolide A, a Potent Antimalarial Polyhydroxy Macrolide from the Marine Cyanobacterium Okeania hirsuta.","The Journal of organic chemistry","2015","80","16","7849","7855","10.1021/acs.joc.5b01264","","","1.54178","CuKα","","0.1143","0.1129","","","0.2987","0.2996","","","","","","1.089","","","","has coordinates","234458","2020-10-21","18:00:00",""
"4036288","14.3132","0.0002","6.5406","0.0001","22.9007","0.0003","90","","90.404","0.001","90","","2143.84","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N3 O3 -","- C25 H22 F N3 O3 -","- C100 H88 F4 N12 O12 -","4","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0409","0.0367","","","0.0896","0.0938","","","","","","1.053","","","","has coordinates","234511","2020-10-21","18:00:00",""
"4036290","5.3134","0.0002","8.1507","0.0002","12.0605","0.0004","90","","93.485","0.003","90","","521.35","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0328","0.0306","","","0.073","0.0743","","","","","","1.08","","","","has coordinates","234515","2020-10-21","18:00:00",""
"4036300","9.5293","0.0004","15.7276","0.0006","10.3868","0.0004","90","","100.495","0.002","90","","1530.66","0.11","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 N O6 P S -","- C12 H18 N O6 P S -","- C48 H72 N4 O24 P4 S4 -","4","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0473","0.0392","","","0.0927","0.0975","","","","","","1.067","","","","has coordinates","234527","2020-10-21","18:00:00",""
"4036336","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234568","2020-10-21","18:00:00",""
"4036337","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234569","2020-10-21","18:00:00",""
"4036338","9.4706","0.0002","7.5261","0.0001","14.8394","0.0004","90","","101.149","0.0008","90","","1037.74","0.04","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O6 S -","- C20 H18 F3 N O6 S -","- C40 H36 F6 N2 O12 S2 -","2","1","","Zaghi, Anna; Bernardi, Tatiana; Bertolasi, Valerio; Bortolini, Olga; Massi, Alessandro; De Risi, Carmela","One-Pot, Four-Step Organocatalytic Asymmetric Synthesis of Functionalized Nitrocyclopropanes.","The Journal of organic chemistry","2015","80","18","9176","9184","10.1021/acs.joc.5b01607","","","0.71073","MoKα","","0.0503","0.0376","","","0.0848","0.0922","","","","","","1.028","","","","has coordinates","234571","2020-10-21","18:00:00",""
"4036367","8.1242","0.001","5.5478","0.0007","21.829","0.003","90","","92.466","0.005","90","","983","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O4 -","- C23 H18 Cl N O4 -","- C46 H36 Cl2 N2 O8 -","2","1","","Saha, Prasenjit; Biswas, Arnab; Molleti, Nagaraju; Singh, Vinod K.","Enantioselective Synthesis of Highly Substituted Chromans via the Oxa-Michael-Michael Cascade Reaction with a Bifunctional Organocatalyst.","The Journal of organic chemistry","2015","80","21","11115","11122","10.1021/acs.joc.5b01751","","","0.71073","MoKα","","0.0618","0.0395","","","0.1056","0.1219","","","","","","0.842","","","","has coordinates","234615","2020-10-21","18:00:00",""
"4036371","9.1192","0.0002","15.7386","0.0002","11.5249","0.0002","90","","106.157","0.002","90","","1588.76","0.05","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl4 Fe N O P Pd -","- C31 H34 Cl4 Fe N O P Pd -","- C62 H68 Cl8 Fe2 N2 O2 P2 Pd2 -","2","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.0194","0.0186","","","0.0406","0.0411","","","","","","1.055","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036372","9.65882","0.00008","10.60526","0.00009","27.9871","0.0002","90","","97.2543","0.0007","90","","2843.89","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H78 Fe2 N2 O4 -","- C67 H78 Fe2 N2 O4 -","- C134 H156 Fe4 N4 O8 -","2","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0301","0.027","","","0.0627","0.0646","","","","","","1.029","","","","has coordinates,has disorder","234620","2020-10-21","18:00:00",""
"4036381","8.4077","0.0001","17.5482","0.0003","9.456","0.0002","90","","94.439","0.002","90","","1390.95","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H32 Cl2 Fe N3 O2 -","- C30 H32 Cl2 Fe N3 O2 -","- C60 H64 Cl4 Fe2 N6 O4 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0298","0.0271","","","0.0559","0.0575","","","","","","1.036","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036382","9.9185","0.0008","10.6832","0.0009","14.5573","0.0012","90","","94.336","0.001","90","","1538.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl4 N3 O2 Zn -","- C28 H37 Cl4 N3 O2 Zn -","- C56 H74 Cl8 N6 O4 Zn2 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.039","0.0366","","","0.0945","0.0962","","","","","","1.044","","","","has coordinates,has disorder","234622","2020-10-21","18:00:00",""
"4036394","14.06","0.007","9.757","0.005","15.785","0.008","90","","96.018","0.013","90","","2153.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H54 F2 O6 -","- C42 H54 F2 O6 -","- C84 H108 F4 O12 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2005","0.0759","","","0.168","0.2022","","","","","","0.859","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036419","6.08","0.002","11.239","0.004","16.514","0.007","90","","93.52","0.02","90","","1126.3","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4,9,9-Tetramethyl-11-oxo-12-phenyl-7,8,9,10,11,12- hexahydropyrimido[1',2':1,5][1,2,4]triazolo[3,4-b]quinazolin-5-ium perchlorate","","- C22 H24 Cl N5 O5 -","- C22 H24 Cl N5 O5 -","- C44 H48 Cl2 N10 O10 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","0.71073","MoKα","","0.0581","0.0463","","","0.1096","0.1173","","","","","","0.885","","","","has coordinates","234663","2020-10-21","18:00:00",""
"4036421","6.358","0.003","11.396","0.005","16.064","0.006","90","","97.12","0.02","90","","1155","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(Ethoxycarbonyl)-2,3,4,8-tetramethyl-10-phenyl-7,10- dihydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C21 H24 Cl N5 O6 -","- C21 H24 Cl N5 O6 -","- C42 H48 Cl2 N10 O12 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.0399","0.0376","","","0.104","0.1064","","","","","","1.005","","","","has coordinates","234666","2020-10-21","18:00:00",""
"4036437","13.0454","0.0003","5.641","0.0001","15.4322","0.0003","90","","94.035","0.001","90","","1132.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0286","0.0279","","","0.0654","0.0659","","","","","","1.926","","","","has coordinates","234693","2020-10-21","18:00:00",""
"4036438","13.1669","0.0004","6.0551","0.0002","13.8168","0.0004","90","","94.548","0.002","90","","1098.1","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0386","0.0355","","","0.079","0.08","","","","","","1.82","","","","has coordinates","234695","2020-10-21","18:00:00",""
"4036440","13.6204","0.0003","5.6215","0.0001","17.7068","0.0004","90","","112.213","0.001","90","","1255.14","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 Cl2 N2 O6 -","- C28 H22 Cl2 N2 O6 -","- C56 H44 Cl4 N4 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0244","0.0242","","","0.063","0.0632","","","","","","1.055","","","","has coordinates,has disorder","234698","2020-10-21","18:00:00",""
"4036449","6.0574","0.001","7.8021","0.0013","21.834","0.004","90","","93.715","0.003","90","","1029.7","0.3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C48 H48 Fe2 N4 O8 -","2","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0346","0.03","","","0.0712","0.0723","","","","","","0.987","","","","has coordinates","234707","2020-10-21","18:00:00",""
"4036498","14.4818","0.0007","8.7184","0.0004","23.3607","0.0011","90","","107.755","0.005","90","","2809","0.2","293.33","0.1","293.33","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 Br F N O5 -","- C30 H27 Br F N2 O4 -","- C120 H108 Br4 F4 N8 O16 -","4","2","","Liu, Xihong; Zhang, Jinlong; Zhao, Long; Ma, Shixiong; Yang, Dongxu; Yan, Wenjin; Wang, Rui","Construction of Vicinal Tetrasubstituted Stereocenters with a C-F Bond through a Catalytic Enantioselective Detrifluoroacetylative Mannich Reaction.","The Journal of organic chemistry","2015","80","24","12651","12658","10.1021/acs.joc.5b02238","","x-ray","0.71073","MoKα","","0.1663","0.0589","","","0.111","0.1663","","","","","","0.884","","","","has coordinates,has disorder","234776","2020-10-21","18:00:00",""
"4036515","6.4683","0.0009","13.4256","0.0019","11.0713","0.0016","90","","101.845","0.002","90","","941","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C46 H40 Br2 N2 O2 -","2","1","","Hirata, Tomoaki; Takahashi, Isao; Suzuki, Yuya; Yoshida, Hiroaki; Hasegawa, Hiroshi; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Phenanthridin-6-one Derivatives.","The Journal of organic chemistry","2016","81","1","318","323","10.1021/acs.joc.5b02387","","","0.71073","MoKα","","0.0178","0.0171","","","0.0414","0.0417","","","","","","1.043","","","","has coordinates","234802","2020-10-21","18:00:00",""
"4036522","9.8681","0.0003","19.3196","0.0006","11.1852","0.0004","90","","111.754","0.002","90","","1980.57","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C80 H72 Cl4 N12 O12 -","4","2","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71072","MoKα","","0.1419","0.076","","","0.1983","0.2475","","","","","","1.128","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036533","13.173","0.002","5.8386","0.0009","15.894","0.002","90","","105.009","0.002","90","","1180.7","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","2","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0706","0.0591","","","0.154","0.1645","","","","","","1.187","","","","has coordinates,has disorder","234829","2020-10-21","18:00:00",""
"4036535","9.2304","0.0013","5.3143","0.0018","14.9947","0.0011","90","","104.81","","90","","711.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-fluorobenzo[g]chrysene","","- C22 H13 F -","- C22 H13 F -","- C44 H26 F2 -","2","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0547","0.0343","","","0.069","0.0745","","","","","","0.858","","","","has coordinates","234833","2020-10-21","18:00:00",""
"4036545","9.61329","0.00018","9.54113","0.00015","16.1853","0.0003","90","","96.3113","0.0018","90","","1475.55","0.05","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N4 O6 S2 -","- C24 H40 N4 O6 S2 -","- C48 H80 N8 O12 S4 -","2","1","","Martí-Centelles, Vicente; Burguete, M. Isabel; Luis, Santiago V.","Macrocycle Synthesis by Chloride-Templated Amide Bond Formation.","The Journal of organic chemistry","2016","81","5","2143","2147","10.1021/acs.joc.5b02676","","x-ray","1.54184","CuKα","","0.0448","0.0438","","","0.1215","0.1231","","","","","","1.052","","","","has coordinates,has disorder","234852","2020-10-21","18:00:00",""
"4036559","7.2483","0.0002","7.3559","0.0002","13.6601","0.0003","90","","92.012","0.002","90","","727.88","0.03","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Choe, Hyeonjeong; Pham, Thuy Trang; Lee, Joo Yun; Latif, Muhammad; Park, Haeil; Kang, Young Kee; Lee, Jongkook","Remote Stereoinductive Intramolecular Nitrile Oxide Cycloaddition: Asymmetric Total Synthesis and Structure Revision of (-)-11β-Hydroxycurvularin.","The Journal of organic chemistry","2016","81","6","2612","2617","10.1021/acs.joc.5b02760","","","0.71073","MoKα","","0.0382","0.0341","","","0.0723","0.0746","","","","","","1.039","","","","has coordinates","234874","2020-10-21","18:00:00",""
"4036563","14.6819","0.0006","27.0915","0.0011","15.1614","0.0007","90","","91.392","0.001","90","","6028.7","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","72 in manuscript","","","- C26 H44 O4 Si2 -","- C26 H44 O4 Si2 -","- C208 H352 O32 Si16 -","8","4","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0874","0.0584","","","0.1432","0.1606","","","","","","1.011","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036569","8.3281","0.0002","15.4335","0.0002","10.2295","0.0002","90","","111.229","0.003","90","","1225.59","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C42 H72 N2 O12 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.084","0.0856","","","","","","1.032","","","","has coordinates","234886","2020-10-21","18:00:00",""
"4036586","8.6828","0.0005","6.4475","0.0003","11.5604","0.0007","90","","96.958","0.005","90","","642.41","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F3 N2 O2 -","- C13 H9 F3 N2 O2 -","- C26 H18 F6 N4 O4 -","2","1","","Lou, Hengqiao; Wang, Yongtao; Jin, Enze; Lin, Xufeng","Organocatalytic Asymmetric Synthesis of Dihydrobenzoxazinones Bearing Trifluoromethylated Quaternary Stereocenters.","The Journal of organic chemistry","2016","81","5","2019","2026","10.1021/acs.joc.5b02848","","","1.54184","CuKα","","0.0559","0.049","","","0.1217","0.1336","","","","","","1.092","","","","has coordinates","234912","2020-10-21","18:00:00",""
"4036587","6.4322","0.0004","9.2132","0.0005","11.2253","0.0006","90","","96.4282","0.0018","90","","661.04","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C26 H42 N2 O6 -","2","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0318","0.0317","","","0.0855","0.0856","","","","","","1.073","","","","has coordinates","234914","2020-10-21","18:00:00",""
"4036597","7.7089","0.0003","11.7832","0.0004","17.474","0.0006","90","","100.653","0.0019","90","","1559.9","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0325","","","","0.1006","","","","","","1.049","","","","has coordinates","234931","2020-10-21","18:00:00",""
"4036608","10.1259","0.0002","21.6147","0.0004","11.8647","0.0003","90","","112.394","0.002","90","","2400.97","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Br O4 -","- C28 H23 Br O4 -","- C112 H92 Br4 O16 -","4","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0832","0.042","","","0.078","0.092","","","","","","0.959","","","","has coordinates","234951","2020-10-21","18:00:00",""
"4036614","6.5903","0.0001","27.7886","0.0004","13.8017","0.0002","90","","101.747","0.0015","90","","2474.64","0.06","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0416","0.038","","0.0874","0.0852","0.0874","","","","","","1.0054","","","","has coordinates","234963","2020-10-21","18:00:00",""
"4036621","8.5891","0.0002","16.7819","0.0002","9.8613","0.0001","90","","95.8337","0.0013","90","","1414.06","0.04","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0353","0.0325","","0.0769","0.0756","0.0769","","","","","","0.9927","","","","has coordinates","234976","2020-10-21","18:00:00",""
"4036623","10.695","0.01","6.585","0.006","14.025","0.014","90","","111.141","0.01","90","","921.3","1.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 F N O4 S -","- C19 H24 F N O4 S -","- C38 H48 F2 N2 O8 S2 -","2","1","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0289","0.0278","","","0.0703","0.0715","","","","","","1.068","","","","has coordinates","234979","2020-10-21","18:00:00",""
"4036624","11.5968","0.0012","8.2171","0.0009","21.456","0.002","90","","104.481","0.002","90","","1979.6","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 S -","- C20 H27 N O5 S -","- C80 H108 N4 O20 S4 -","4","2","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0433","0.0361","","","0.091","0.0961","","","","","","1.006","","","","has coordinates","234981","2020-10-21","18:00:00",""
"4036626","9.87","0.0004","10.0817","0.0003","10.2033","0.0005","90","","111.452","0.005","90","","944.96","0.07","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O3 S -","- C20 H18 F3 N O3 S -","- C40 H36 F6 N2 O6 S2 -","2","1","","Zhang, Sheng; Cha, Lide; Li, Lijun; Hu, Yanbin; Li, Yanan; Zha, Zhenggen; Wang, Zhiyong","Asymmetric Formal Aza-Diels-Alder Reaction of Trifluoromethyl Hemiaminals with Enones Catalyzed by Primary Amines.","The Journal of organic chemistry","2016","81","8","3177","3187","10.1021/acs.joc.6b00087","","","1.54184","CuKα","","0.0351","0.0338","","","0.0904","0.0927","","","","","","1.043","","","","has coordinates","234984","2020-10-21","18:00:00",""
"4036637","8.6809","0.0002","14.1972","0.0003","10.4181","0.0003","90","","100.521","0.001","90","","1262.39","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O5 S -","- C25 H29 N3 O5 S -","- C50 H58 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0397","0.0331","","","0.081","0.0861","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036677","11.9327","0.0006","12.6785","0.0007","17.6556","0.0009","90","","109.402","0.002","90","","2519.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O5 S -","- C22 H27 N3 O5 S -","- C88 H108 N12 O20 S4 -","4","2","","Shan, Jing; Cui, Baodong; Wang, Yu; Yang, Chengli; Zhou, Xiaojian; Han, Wenyong; Chen, Yongzheng","Organocatalytic Asymmetric Mannich Reaction of 3-Hydroxyoxindoles/3-Aminooxindoles with in Situ Generated N-Boc-Protected Aldimines for the Synthesis of Vicinal Oxindole-Diamines/Amino Alcohols.","The Journal of organic chemistry","2016","81","13","5270","5277","10.1021/acs.joc.6b00278","","","0.71073","MoKα","","0.0823","0.0522","","","0.1317","0.1481","","","","","","0.955","","","","has coordinates,has disorder","235069","2020-10-21","18:00:00",""
"4036682","8.4477","0.0002","6.0345","0.0002","13.8768","0.0004","90","","104.753","0.002","90","","684.09","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C26 H28 F8 O8 -","2","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0505","0.0416","","","0.0926","0.0991","","","","","","1.073","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036697","7.5084","0.0007","13.275","0.0011","11.7594","0.0011","90","","97.617","0.003","90","","1161.76","0.18","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O8 -","- C26 H19 N3 O8 -","- C52 H38 N6 O16 -","2","1","","Ramig, Keith; Subramaniam, Gopal; Karimi, Sasan; Szalda, David J.; Ko, Allen; Lam, Aaron; Li, Jeffrey; Coaderaj, Ani; Cavdar, Leyla; Bogdan, Lukasz; Kwon, Kitae; Greer, Edyta M.","Interplay of Nitrogen-Atom Inversion and Conformational Inversion in Enantiomerization of 1H-1-Benzazepines.","The Journal of organic chemistry","2016","81","8","3313","3320","10.1021/acs.joc.6b00319","","","0.71073","MoKα","","0.1543","0.058","","","0.0817","0.1019","","","","","","0.953","","","","has coordinates,has disorder","235088","2020-10-21","18:00:00",""
"4036721","9.0188","0.0008","21.1444","0.0019","10.7833","0.0009","90","","111.097","0.002","90","","1918.5","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H50 N4 O6 -","- C42 H50 N4 O6 -","- C84 H100 N8 O12 -","2","1","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using 1H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0419","0.0357","","","0.0756","0.0789","","","","","","1.025","","","","has coordinates","235132","2020-10-21","18:00:00",""
"4036759","6.948","0.0001","18.3628","0.0003","7.7302","0.0001","90","","105.05","0.002","90","","952.43","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0279","0.0278","","","0.0724","0.0725","","","","","","1.054","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036764","10.5666","0.0003","7.77628","0.00017","11.6785","0.0003","90","","109.491","0.003","90","","904.62","0.04","174","2","174","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O2 -","- C19 H16 Br2 N2 O2 -","- C38 H32 Br4 N4 O4 -","2","1","","Ding, Zong-Cang; Ju, Lu-Chuan; Yang, Ying; An, Xiao-Ming; Zhou, Yun-Bing; Li, Ren-Hao; Tang, Hai-Tao; Ding, Cheng-Ke; Zhan, Zhuang-Ping","Silver(I)-Catalyzed Tandem Sigamatropic Rearrangement/1,3-H Shift/6π Aza-electrocyclization of N-Propargylic Hydrazones: A Mild Synthetic Route to 1,6-Dihydropyridazines.","The Journal of organic chemistry","2016","81","9","3936","3941","10.1021/acs.joc.6b00428","","","1.54184","CuKα","","0.0242","0.0241","","","0.0649","0.0649","","","","","","1.098","","","","has coordinates","235202","2020-10-21","18:00:00",""
"4036802","11.1637","0.0009","7.8135","0.0006","12.2928","0.0009","90","","107.143","0.004","90","","1024.63","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O3 Si -","- C18 H35 N O3 Si -","- C36 H70 N2 O6 Si2 -","2","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.0618","0.0566","","","0.1347","0.1407","","","","","","1.041","","","","has coordinates","235246","2020-10-21","18:00:00",""
"4036812","11.793","0.006","5.631","0.003","13.738","0.006","90","","104.854","0.005","90","","881.8","0.8","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 Br -","- C24 H17 Br -","- C48 H34 Br2 -","2","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0501","0.0438","","","0.0951","0.1014","","","","","","1.049","","","","has coordinates","235263","2020-10-21","18:00:00",""
"4036813","9.467","0.0001","9.0299","0.0001","13.0503","0.0002","90","","110.756","0.001","90","","1043.21","0.02","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C50 H50 N2 O10 -","2","1","","Yang, Xue; Zhang, Yu-Chen; Zhu, Qiu-Ning; Tu, Man-Su; Shi, Feng","Diastereo- and Enantioselective Construction of the Hexahydrocoumarin Scaffold via an Organocatalytic Asymmetric [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","12","5056","5065","10.1021/acs.joc.6b00603","","","1.54178","CuKα","","0.0337","0.0328","","","0.0788","0.0796","","","","","","1.035","","","","has coordinates","235265","2020-10-21","18:00:00",""
"4036815","12.49463","0.00006","6.03595","0.00005","12.70711","0.00006","90","","99.5432","0.0005","90","","945.069","0.01","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 Br O4 -","- C22 H17 Br O4 -","- C44 H34 Br2 O8 -","2","1","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","1.54184","CuKα","","0.0261","0.026","","","0.0684","0.0684","","","","","","1.076","","","","has coordinates","235269","2020-10-21","18:00:00",""
"4036818","10.1097","0.0007","37.046","0.003","12.8847","0.0009","90","","91.85","0.003","90","","4823.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H46 F3 N2 O10 -","- C45 H46 F3 N2 O10 -","- C180 H184 F12 N8 O40 -","4","2","","Hu, Wei-Bo; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A1/A2-Diamino-Substituted Pillar[5]arene-Based Acid-Base-Responsive Host-Guest System.","The Journal of organic chemistry","2016","81","9","3877","3881","10.1021/acs.joc.6b00617","","","0.71073","MoKα","","0.1604","0.1095","","","0.2936","0.3266","","","","","","1.031","","","","has coordinates","235275","2020-10-21","18:00:00",""
"4036859","10.351","0.003","7.7827","0.0018","11.328","0.003","90","","103.741","0.003","90","","886.5","0.4","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Jarhad, Dnyandev B.; Singh, Vishwakarma","π(4)s + π(2)s Cycloaddition of Spiroepoxycyclohexa-2,4-dienone, Radical Cyclization, and Oxidation-Aldol-Oxidation Cascade: Synthesis of BCDE Ring of Atropurpuran.","The Journal of organic chemistry","2016","81","10","4304","4309","10.1021/acs.joc.6b00728","","","0.7107","MoKα","","","0.0418","","","","0.1222","","","","","","0.678","","","","has coordinates","235343","2020-10-21","18:00:00",""
"4036889","8.106","0.003","15.762","0.006","16.823","0.007","90","","97.437","0.005","90","","2131.3","1.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si -","- C24 H36 Si -","- C96 H144 Si4 -","4","2","","Arii, Hidekazu; Yano, Yuto; Nakabayashi, Kenichi; Yamaguchi, Syuhei; Yamamura, Masaki; Mochida, Kunio; Kawashima, Takayuki","Regioselective and Stereospecific Dehydrogenative Annulation Utilizing Silylium Ion-Activated Alkenes.","The Journal of organic chemistry","2016","81","15","6314","6319","10.1021/acs.joc.6b00793","","","0.71075","MoKα","","0.0653","0.0507","","","0.1137","0.1252","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036891","10.9766","0.0007","6.5881","0.0004","10.9953","0.0008","90","","107.557","0.002","90","","758.09","0.09","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C44 H32 Fe2 -","2","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Kanyiva, Kyalo Stephen","Pt-Catalyzed Enantioselective Cycloisomerization for the Synthesis of Planar-Chiral Ferrocene Derivatives.","The Journal of organic chemistry","2016","81","15","6266","6272","10.1021/acs.joc.6b00825","","","0.71075","MoKα","","0.0328","0.0294","","","0.0827","0.0941","","","","","","1.154","","","","has coordinates","235372","2020-10-21","18:00:00",""
"4036921","10.8811","0.0008","9.6564","0.0007","14.0641","0.0011","90","","97.864","0.001","90","","1463.85","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O3 -","- C35 H36 N2 O3 -","- C70 H72 N4 O6 -","2","1","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.0399","0.0368","","","0.0873","0.0887","","","","","","1.071","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036922","9.7297","0.0014","24.373","0.004","12.012","0.002","90","","92.421","0.007","90","","2846","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N O3 -","- C33 H33 N O3 -","- C132 H132 N4 O12 -","4","2","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.1501","0.0991","","","0.1307","0.1486","","","","","","1.075","","","","has coordinates","235421","2020-10-21","18:00:00",""
"4036996","8.517","0.005","6.258","0.003","18.063","0.009","90","","102.457","0.006","90","","940.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 O2 P S -","- C17 H27 O2 P S -","- C34 H54 O4 P2 S2 -","2","1","","Wang, Wei-Min; Liu, Li-Juan; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Zhao, Chang-Qiu; Xu, Qing; Han, Li-Biao","Stereospecific Preparations of P-Stereogenic Phosphonothioates and Phosphonoselenoates.","The Journal of organic chemistry","2016","81","15","6843","6847","10.1021/acs.joc.6b01192","","","0.71073","MoKα","","0.0774","0.0536","","","0.1095","0.1229","","","","","","1.068","","","","has coordinates","235535","2020-10-21","18:00:00",""
"4037021","8.1814","0.0003","6.3315","0.0003","16.7915","0.0011","90","","92.691","0.004","90","","868.85","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O8 -","- C19 H20 N2 O8 -","- C38 H40 N4 O16 -","2","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Bernhardt, Paul V.; Capon, Robert J.","Fungal Biotransformation of Tetracycline Antibiotics.","The Journal of organic chemistry","2016","81","15","6186","6194","10.1021/acs.joc.6b01272","","x-ray","1.54184","CuKα","","0.0465","0.0412","","","0.102","0.1237","","","","","","1.149","","","","has coordinates","235573","2020-10-21","18:00:00",""
"4037039","10.1677","0.0006","10.2037","0.0005","10.2235","0.0006","90","","111.168","0.002","90","","989.1","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","1","0.5","","Buter, Jeffrey; Heijnen, Dorus; Wan, Ieng Chim; Bickelhaupt, F. Matthias; Young, David C.; Otten, Edwin; Moody, D. Branch; Minnaard, Adriaan J.","Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis.","The Journal of organic chemistry","2016","81","15","6686","6696","10.1021/acs.joc.6b01332","","","0.71073","MoKα","","0.0463","0.0404","","","0.0963","0.1007","","","","","","1.051","","","","has coordinates","235593","2020-10-21","18:00:00",""
"4037040","4.25027","0.00012","29.614","0.0005","10.3858","0.0002","90","","100.939","0.003","90","","1283.48","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0376","0.0361","","","0.0966","0.0983","","","","","","1.065","","","","has coordinates","235595","2020-10-21","18:00:00",""
"4037046","6.1609","0.0003","13.353","0.0006","18.5067","0.0008","90","","92.234","0.001","90","","1521.32","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O3 Si2 -","- C33 H44 O3 Si2 -","- C66 H88 O6 Si4 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0955","0.0539","","","0.0931","0.1052","","","","","","1.015","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037051","7.5585","0.0002","7.1426","0.0002","19.836","0.0005","90","","97.549","0.002","90","","1061.61","0.05","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C40 H58 N2 O14 -","2","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","0.71073","MoKα","","0.0681","0.0463","","","0.1086","0.128","","","","","","1.094","","","","has coordinates,has disorder","235604","2020-10-21","18:00:00",""
"4037075","6.281","0.0002","19.8359","0.0007","7.8253","0.0003","90","","91.333","0.002","90","","974.68","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0354","0.0313","","","0.0765","0.0779","","","","","","1.145","","","","has coordinates","235635","2020-10-21","18:00:00",""
"4037076","6.262","0.0005","8.1188","0.0006","20.3785","0.0016","90","","92.859","0.002","90","","1034.75","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0457","0.0438","","","0.1149","0.1162","","","","","","1.06","","","","has coordinates","235637","2020-10-21","18:00:00",""
"4037078","8.237","0.0002","21.2108","0.0004","8.4707","0.0002","90","","98.7489","0.0019","90","","1462.72","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.054","0.0524","","0.1374","0.1353","0.1374","","","","","","1.0038","","","","has coordinates","235639","2020-10-21","18:00:00",""
"4037085","7.946","0.002","11.256","0.003","8.207","0.002","90","","101.141","0.004","90","","720.2","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C32 H44 O6 -","2","1","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","0.71073","MoKα","","0.0584","0.0475","","","0.1148","0.1224","","","","","","1.029","","","","has coordinates","235649","2020-10-21","18:00:00",""
"4037111","9.8175","0.0005","5.365","0.0003","14.4448","0.0006","90","","97.206","0.003","90","","754.81","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Hoogenboom, Jorin; Lutz, Martin; Zuilhof, Han; Wennekes, Tom","Exploring the Chemistry of Bicyclic Isoxazolidines for the Multicomponent Synthesis of Glycomimetic Building Blocks.","The Journal of organic chemistry","2016","81","19","8826","8836","10.1021/acs.joc.6b01515","","","0.71073","MoKα","","0.0485","0.0351","","","0.0733","0.0783","","","","","","1.036","","","","has coordinates","235675","2020-10-21","18:00:00",""
"4037116","14.4027","0.0005","8.6895","0.0003","14.5915","0.0005","90","","108.076","0.001","90","","1736.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H38 F N O9 -","- C41 H38 F N O9 -","- C82 H76 F2 N2 O18 -","2","1","","Zhang, Jiaxing; Cao, Dongdong; Wang, Hongyu; Zheng, Changwu; Zhao, Gang; Shang, Yongjia","Enantioselective Construction of Spirocyclic Oxindoles via Tandem Michael/Michael Reactions Catalyzed by Multifunctional Quaternary Phosphonium Salt.","The Journal of organic chemistry","2016","81","21","10558","10568","10.1021/acs.joc.6b01553","","","1.54178","CuKα","","0.0288","0.0275","","","0.0709","0.0721","","","","","","1.031","","","","has coordinates","235681","2020-10-21","18:00:00",""
"4037126","11.5796","0.0004","10.5928","0.0003","16.6027","0.0006","90","","96.501","0.003","90","","2023.4","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C84 H128 N8 O12 -","4","2","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0506","0.0471","","","0.1174","0.1195","","","","","","1.107","","","","has coordinates","235691","2020-10-21","18:00:00",""
"4037127","10.8941","0.0005","8.3839","0.0004","11.321","0.0005","90","","99.104","0.004","90","","1020.98","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C42 H64 N4 O6 -","2","1","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0422","0.0391","","","0.0844","0.0866","","","","","","1.081","","","","has coordinates","235692","2020-10-21","18:00:00",""
"4037129","8.9295","0.001","14.3156","0.0015","21.898","0.002","90","","93.139","0.004","90","","2795","0.5","97","2","97","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 F3 N O5 -","- C11 H16 F3 N O5 -","- C88 H128 F24 N8 O40 -","8","4","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1451","0.0924","","","0.2193","0.2483","","","","","","1.08","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037139","15.739","0.007","6.567","0.003","16.007","0.007","90","","104.164","0.011","90","","1604.2","1.2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H49 N O5 Si2 -","- C29 H49 N O5 Si2 -","- C58 H98 N2 O10 Si4 -","2","1","","Williams, David R.; Donnell, Andrew F.; Kammler, David C.; Ward, Sarah A.; Taylor, 4th, Levin","Studies of Azetidin-2-one as a Reactive Enolate Synthon of β-Alanine for Condensations with Aldehydes and Ketones.","The Journal of organic chemistry","2016","81","21","10463","10475","10.1021/acs.joc.6b01585","","","0.71073","MoKα","","0.3227","0.1099","","","0.2236","0.2695","","","","","","0.845","","","","has coordinates","235705","2020-10-21","18:00:00",""
"4037142","10.3634","0.0003","7.8244","0.0002","13.9755","0.0004","90","","110.811","0.001","90","","1059.3","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C54 H40 Br2 N2 O6 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0189","0.0176","","","0.0429","0.0432","","","","","","1.038","","","","has coordinates","235709","2020-10-21","18:00:00",""
"4037143","6.7332","0.0004","13.7973","0.0009","12.349","0.0008","90","","98.601","0.005","90","","1134.32","0.13","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","1","","","- C22 H21 Cl3 F N O4 -","- C22 H21 Cl3 F N O4 -","- C44 H42 Cl6 F2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0801","0.0642","","","0.1685","0.18","","","","","","1.044","","","","has coordinates","235711","2020-10-21","18:00:00",""
"4037203","9.44384","0.00014","6.72231","0.00009","10.34284","0.00017","90","","96.4986","0.0014","90","","652.39","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C20 H32 N8 O10 -","2","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0259","0.0251","","","0.0648","0.0657","","","","","","1.052","","","","has coordinates","235795","2020-10-21","18:00:00",""
"4037210","10.261","0.002","9.2285","0.0018","11.932","0.003","90","","112.594","0.003","90","","1043.2","0.4","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C46 H44 Fe2 N4 O8 S2 -","2","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.037","0.0302","","","0.0662","0.0682","","","","","","0.996","","","","has coordinates","235806","2020-10-21","18:00:00",""
"4037219","10.6905","0.0012","7.8348","0.0009","11.618","0.0013","90","","102.791","0.002","90","","948.95","0.19","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Wang, Yu; Jiang, Chen-Min; Li, Hong-Liang; He, Fu-Sheng; Luo, Xiaoyan; Deng, Wei-Ping","Regioselective Iodine-Catalyzed Construction of Polysubstituted Pyrroles from Allenes and Enamines.","The Journal of organic chemistry","2016","81","18","8653","8658","10.1021/acs.joc.6b01737","","","0.71073","MoKα","","0.0489","0.0354","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","235815","2020-10-21","18:00:00",""
"4037220","8.962","0.009","7.654","0.007","11.568","0.012","90","","101.058","0.009","90","","778.8","1.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H11 Br N O5 S -","- C15 H11 Br N O5 S -","- C30 H22 Br2 N2 O10 S2 -","2","1","","Jia, Chun-Man; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Catalytic Asymmetric Decarboxylative Mannich Reaction of Malonic Acid Half Esters with Cyclic Aldimines: Access to Chiral β-Amino Esters and Chroman-4-amines.","The Journal of organic chemistry","2016","81","18","8561","8569","10.1021/acs.joc.6b01750","","","0.71073","MoKα","","0.0984","0.0897","","","0.2725","0.2784","","","","","","1.096","","","","has coordinates","235817","2020-10-21","18:00:00",""
"4037232","9.2191","0.0003","6.1121","0.0002","16.3411","0.0006","90","","90.496","0.002","90","","920.75","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","1.54178","CuKα","","0.0694","0.0534","","","0.102","0.1081","","","","","","1.048","","","","has coordinates","235838","2020-10-21","18:00:00",""
"4037234","12.359","0.002","9.5073","0.0015","18.697","0.003","90","","105.044","0.003","90","","2121.6","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Cl2 N Pt -","- C21 H27 Cl2 N Pt -","- C84 H108 Cl8 N4 Pt4 -","4","2","","Igawa, Kazunobu; Machida, Kouhei; Noguchi, Kyouhei; Uehara, Kazuhiro; Tomooka, Katsuhiko","Synthesis and Stereochemical Analysis of Planar-Chiral (E)-4-[7]Orthocyclophene.","The Journal of organic chemistry","2016","81","23","11587","11593","10.1021/acs.joc.6b01799","","","0.71075","MoKα","","0.0375","0.0295","","","0.0591","0.061","","","","","","0.748","","","","has coordinates","235841","2020-10-21","18:00:00",""
"4037254","11.8937","0.0003","14.4166","0.0004","16.4236","0.0004","90","","95.369","0.001","90","","2803.75","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H70 F4 N8 O16.5 S4 -","- C48.5 H70 F4 N8 O16.5 S4 -","- C97 H140 F8 N16 O33 S8 -","2","1","","Dostie, Starr; Prévost, Michel; Mochirian, Philippe; Tanveer, Kashif; Andrella, Nicholas; Rostami, Ariana; Tambutet, Guillaume; Guindon, Yvan","Diastereoselective Synthesis of C2'-Fluorinated Nucleoside Analogues Using an Acyclic Approach.","The Journal of organic chemistry","2016","81","22","10769","10790","10.1021/acs.joc.6b01845","","x-ray","1.34139","GaKα","","0.0353","0.0347","","","0.0956","0.0964","","","","","","1.073","","","","has coordinates","235870","2020-10-21","18:00:00",""
"4037308","12.5614","0.0002","5.24978","0.0001","13.4122","0.0003","90","","91.3092","0.0016","90","","884.23","0.03","290.7","0.1","290.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 F3 O3 -","- C19 H17 F3 O3 -","- C38 H34 F6 O6 -","2","1","","Yang, Guang-Jun; Du, Wei; Chen, Ying-Chun","Construction of Furan Derivatives with a Trifluoromethyl Stereogenic Center: Enantioselective Friedel-Crafts Alkylations via Formal Trienamine Catalysis.","The Journal of organic chemistry","2016","81","20","10056","10061","10.1021/acs.joc.6b01950","","x-ray","1.54184","CuKα","","0.0481","0.0472","","","0.1321","0.1334","","","","","","1.047","","","","has coordinates","235930","2020-10-21","18:00:00",""
"4037319","16.297","0.002","10.6491","0.0013","18.241","0.002","90","","98.884","0.003","90","","3127.7","0.6","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18.33 H29.33 F N O2.33 S -","- C18.3333 H29.3333 F N O2.33333 S -","- C110 H176 F6 N6 O14 S6 -","6","3","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0768","0.0537","","","0.1263","0.141","","","","","","1.024","","","","has coordinates","235945","2020-10-21","18:00:00",""
"4037320","7.926","0.008","10.565","0.01","11.841","0.012","90","","102.26","0.02","90","","968.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C42 H48 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0618","0.0409","","","0.0808","0.0903","","","","","","1.003","","","","has coordinates","235947","2020-10-21","18:00:00",""
"4037321","6.0578","0.0013","8.7727","0.0018","19.173","0.004","90","","94.406","0.005","90","","1015.9","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl F N O2 S -","- C21 H23 Cl F N O2 S -","- C42 H46 Cl2 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.072","0.0509","","","0.1083","0.1191","","","","","","0.997","","","","has coordinates","235949","2020-10-21","18:00:00",""
"4037324","7.2978","0.0002","14.6967","0.0003","18.417","0.0004","90","","98.629","0.001","90","","1952.93","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","2","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0427","0.0313","","","0.0771","0.0819","","","","","","1.029","","","","has coordinates,has disorder","235953","2020-10-21","18:00:00",""
"4037330","8.87379","0.0001","4.83007","0.00005","16.6309","0.00014","90","","90.2687","0.0008","90","","712.81","0.012","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C26 H34 Br2 Cl2 N2 O4 -","2","1","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0238","0.0196","","","0.0425","0.0431","","","","","","0.952","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037341","10.7676","0.0004","6.1959","0.0002","13.8977","0.0005","90","","91.255","0.001","90","","926.96","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl3 N O6 -","- C17 H18 Cl3 N O6 -","- C34 H36 Cl6 N2 O12 -","2","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0325","0.0288","","","0.0584","0.0603","","","","","","1.041","","","","has coordinates","235985","2020-10-21","18:00:00",""
"4037342","8.2257","0.0004","8.6177","0.0004","9.4412","0.0004","90","","105.591","0.003","90","","644.63","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0484","0.036","","0.0476","0.0374","0.0357","","","","","","1.1258","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037344","6.4095","0.0017","13.267","0.003","7.6203","0.0019","90","","110.13","0.012","90","","608.4","0.3","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0834","0.0537","","0.0751","0.0554","0.0587","","","","","","1.1043","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037347","7.3214","0.0004","9.0142","0.0006","10.445","0.0006","90","","95.474","0.003","90","","686.19","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0348","0.0341","","0.0375","0.0351","0.0348","","","","","","1.1221","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037349","10.6723","0.0007","7.1954","0.0004","11.9267","0.0008","90","","110.456","0.004","90","","858.11","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 Cl O5 -","- C17 H23 Cl O5 -","- C34 H46 Cl2 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0441","0.0413","","0.0487","0.0466","0.0461","","","","","","1.0949","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037352","8.6468","0.0004","28.2242","0.0013","11.8307","0.0005","90","","91.701","0.003","90","","2886","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 Br2 N O9 -","- C29 H23 Br2 N O9 -","- C116 H92 Br8 N4 O36 -","4","2","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0911","0.043","","","0.0618","0.0726","","","","","","0.941","","","","has coordinates","235993","2020-10-21","18:00:00",""
"4037377","10.451","0.002","34.794","0.007","11.219","0.002","90","","104.42","0.03","90","","3951.1","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O5 -","- C22 H20 Cl N O5 -","- C176 H160 Cl8 N8 O40 -","8","4","","Chen, Shanren; Wang, Youming; Zhou, Zhenghong","Organocatalyzed Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β,γ-Unsaturated α-Ketoesters: An Access to Chiral Indolin-3-ones with Two Adjacent Tertiary Stereogenic Centers.","The Journal of organic chemistry","2016","81","22","11432","11438","10.1021/acs.joc.6b02070","","","0.71073","MoKα","","0.0718","0.0553","","","0.1259","0.1378","","","","","","1.027","","","","has coordinates,has disorder","236040","2020-10-21","18:00:00",""
"4037412","8.977","0.0003","10.9223","0.0004","11.4891","0.0004","90","","90.838","0.003","90","","1126.38","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C50 H72 O10 -","2","1","","Letort, Aurélien; Long, De-Liang; Prunet, Joëlle","Study of Cascade Ring-Closing Metathesis Reactions en Route to an Advanced Intermediate of Taxol.","The Journal of organic chemistry","2016","81","24","12318","12331","10.1021/acs.joc.6b02264","","","1.54178","CuKα","","0.0247","0.0246","","","0.0648","0.0649","","","","","","1.043","","","","has coordinates","236105","2020-10-21","18:00:00",""
"4037436","9.281","0.005","8.269","0.005","12.552","0.007","90","","98.586","0.009","90","","952.5","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 Br O3 -","- C25 H19 Br O3 -","- C50 H38 Br2 O6 -","2","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0445","0.0409","","","0.097","0.0985","","","","","","0.982","","","","has coordinates","236140","2020-10-21","18:00:00",""
"4037454","6.2873","0.0005","11.0497","0.0005","13.8394","0.0008","90","","93.003","0.006","90","","960.14","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C40 H30 Br2 N4 O8 -","2","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","x-ray","0.71073","MoKα","","0.0899","0.054","","","0.1045","0.1213","","","","","","1.026","","","","has coordinates","236171","2020-10-21","18:00:00",""
"4037474","11.6882","0.0001","7.9358","0.0001","20.2157","0.0002","90","","105.231","0.001","90","","1809.25","0.03","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sun, Jianan; Hu, Yanbin; Li, Yanan; Zhang, Sheng; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Chemoselective and Enantioselective Friedel-Crafts 1,2-Addition of Pyrrole with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2017","82","10","5102","5110","10.1021/acs.joc.7b00159","","","1.54184","CuKα","","0.0347","0.0326","","","0.0892","0.0918","","","","","","1.025","","","","has coordinates","236213","2020-10-21","18:00:00",""
"4037475","9.6731","0.0003","8.3989","0.0002","12.0183","0.0003","90","","92.185","0.001","90","","975.7","0.05","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N O2 P -","- C19 H27 Cl N O2 P -","- C38 H54 Cl2 N2 O4 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0219","0.0217","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","236216","2020-10-21","18:00:00",""
"4037476","13.8893","0.0005","6.8939","0.0003","15.5331","0.0006","90","","108.119","0.002","90","","1413.56","0.1","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H37 B N3 O5 P -","- C27 H37 B N3 O5 P -","- C54 H74 B2 N6 O10 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0354","0.034","","","0.088","0.0888","","","","","","1.052","","","","has coordinates","236217","2020-10-21","18:00:00",""
"4037513","10.1421","0.0006","8.1506","0.0004","12.8445","0.0008","90","","112.215","0.007","90","","982.97","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,5S,7S)-7-[(benzyloxy)methyl]-2-tosyl-6-oxa-2-azabicyclo[3.2.1]octane","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Mahía, Alejandro; Badorrey, Ramón; Gálvez, José A; Díaz-de-Villegas, María D","Diastereoselective Construction of the 6-Oxa-2-azabicyclo[3.2.1]octane Scaffold from Chiral α-Hydroxyaldehyde Derivatives by the Aza-Prins Reaction.","The Journal of organic chemistry","2017","82","15","8048","8057","10.1021/acs.joc.7b01291","","","0.71073","MoKα","","0.0585","0.0428","","","0.0858","0.0952","","","","","","1.053","","","","has coordinates","236269","2020-10-21","18:00:00",""
"4037535","14.4289","0.0012","9.7749","0.0009","35.171","0.003","90","","99.897","0.004","90","","4886.7","0.7","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C180 H324 N12 O36 -","12","6","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0416","0.0386","","","0.0942","0.0956","","","","","","1.052","","","","has coordinates","236293","2020-10-21","18:00:00",""
"4037560","8.9473","0.0008","13.6391","0.0012","9.5262","0.0008","90","","105.518","0.005","90","","1120.13","0.17","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C52 H64 O12 -","2","1","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0332","0.0332","","","0.0876","0.0876","","","","","","1.057","","","","has coordinates","236340","2020-10-21","18:00:00",""
"4037563","11.5522","0.0007","13.2766","0.0006","11.993","0.0005","90","","100.086","0.005","90","","1810.99","0.16","203.01","0.1","203.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H30 F2 N8 O14 -","- C36 H30 F2 N8 O14 -","- C72 H60 F4 N16 O28 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0599","0.0523","","","0.1356","0.143","","","","","","1.038","","","","has coordinates","236347","2020-10-21","18:00:00",""
"4037586","7.9608","0.0008","9.005","0.0009","11.9856","0.0012","90","","105.827","0.002","90","","826.64","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C36 H50 N2 O6 S2 -","2","1","","Li, Renhe; Liu, Feipeng; Dong, Guangbin","Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","21","3108","3112","10.1039/c8qo00808f","","x-ray","0.71073","MoKα","","0.0478","0.0393","","","0.0827","0.0864","","","","","","1.053","","","","has coordinates","237216","2020-10-21","18:00:00",""
"4037600","8.2955","0.0002","14.6494","0.0003","35.3289","0.0007","90","","94.144","0.002","90","","4282.09","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br2 N2 O2 -","- C24 H18 Br2 N2 O2 -","- C192 H144 Br16 N16 O16 -","8","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.71073","MoKα","","0.0594","0.045","","","0.0673","0.0711","","","","","","1.095","","","","has coordinates","243439","2020-10-21","18:00:00",""
"4037632","5.757","0.004","12.135","0.008","11.539","0.007","90","","102.075","0.007","90","","788.3","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","x-ray","0.71073","MoKα","","0.0378","0.0347","","","0.096","0.099","","","","","","1.039","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037636","6.6742","0.0002","7.4741","0.0003","16.3336","0.0006","90","","90.847","0.003","90","","814.69","0.05","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 B N -","- C24 H16 B N -","- C48 H32 B2 N2 -","2","1","","Zhang, Peng-Fei; Zhuang, Fang-Dong; Sun, Ze-Hao; Lu, Yang; Wang, Jie-Yu; Pei, Jian","Rapid Construction of Fold-Line-Shaped BN-Embedded Polycyclic Aromatic Compounds through Diels-Alder Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02956","","x-ray","0.71073","MoKα","","0.0579","0.0532","","","0.1359","0.139","","","","","","1.042","","","","has coordinates,has disorder","245146","2020-10-21","18:00:00",""
"4037637","8.2149","0.0016","6.3407","0.0013","13.524","0.003","90","","95.51","0.03","90","","701.2","0.3","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H14 B N -","- C20 H14 B N -","- C40 H28 B2 N2 -","2","1","","Zhang, Peng-Fei; Zhuang, Fang-Dong; Sun, Ze-Hao; Lu, Yang; Wang, Jie-Yu; Pei, Jian","Rapid Construction of Fold-Line-Shaped BN-Embedded Polycyclic Aromatic Compounds through Diels-Alder Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02956","","","0.71073","MoKα","","0.0663","0.0616","","","0.1529","0.1577","","","","","","1.075","","","","has coordinates","245147","2020-10-21","18:00:00",""
"4037640","9.7668","0.0009","6.5552","0.0005","13.0878","0.0012","90","","102.392","0.003","90","","818.4","0.12","151","2","151","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Liu, Yi-Wen; Mao, Zhuo-Ya; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Approach to Tertiary-Type β-Hydroxyl Carboxamides Through Sc(OTf)3-Catalyzed Addition of Ynamides and Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02854","","","0.71073","mokα","","0.0444","0.0367","","","0.0801","0.0848","","","","","","1.061","","","","has coordinates","245150","2020-10-21","18:00:00",""
"4037642","10.6986","0.0006","19.3964","0.0011","15.012","0.0008","90","","109.655","0.002","90","","2933.7","0.3","150","2","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Cl N3 O4 -","- C34 H27 Cl N3 O4 -","- C136 H108 Cl4 N12 O16 -","4","2","","Tan, Chang-Yin; Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Xu, Peng-Fei","Asymmetric Organocatalytic [4 + 1] Annulations Involving Polarity Reversal Process: A Tandem Catalytic Approach to Highly Functionalized Spiropyrazolone Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02684","","","1.54178","CuKα","","0.0306","0.0296","","","0.0732","0.074","","","","","","1.044","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4037658","11.3905","0.0002","6.8267","0.0002","18.0192","0.0004","90","","102.296","0.001","90","","1369.02","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O5 -","- C33 H26 Cl N O5 -","- C66 H52 Cl2 N2 O10 -","2","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","1.54178","CuKα","","0.0496","0.0371","","","0.0708","0.076","","","","","","1.099","","","","has coordinates","245168","2020-10-21","18:00:00",""
"4037714","6.576","0.0002","10.0588","0.0003","10.2181","0.0004","90","","98.527","0.003","90","","668.42","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O -","- C18 H20 O -","- C36 H40 O2 -","2","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.0391","0.0355","","","0.0922","0.095","","","","","","0.975","","","","has coordinates","245413","2020-10-21","18:00:00",""
"4037717","13.575","0.0007","20.2391","0.0011","20.8569","0.0011","90","","90.607","0.002","90","","5730","0.5","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C143 H121 Cl2 O13 -","- C143 H121 Cl2 O13 -","- C286 H242 Cl4 O26 -","2","1","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","1.54178","CuKα","","0.0454","0.0433","","","0.1199","0.1221","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037775","9.5211","0.0003","7.4342","0.0003","12.6425","0.0005","90","","103.291","0.001","90","","870.89","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 N O -","- C24 H17 N O -","- C48 H34 N2 O2 -","2","1","","Wang, Jie; Zhao, Zi-Biao; Zhao, Yanan; Luo, Gen; Zhu, Zhou-Hao; Luo, Yi; Zhou, Yong-Gui","Chiral and Regenerable NAD(P)H Models Enabled Biomimetic Asymmetric Reduction: Design, Synthesis, Scope and Mechanistic Studies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03054","","","1.54178","CuKα","","0.0404","0.04","","","0.1115","0.1128","","","","","","1.027","","","","has coordinates","246705","2020-10-21","18:00:00",""
"4037828","8.4181","0.0008","10.0355","0.0009","10.2655","0.001","90","","107.956","0.002","90","","824.99","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0404","0.0369","","","0.0911","0.0941","","","","","","1.073","","","","has coordinates","246984","2020-10-21","18:00:00",""
"4037834","11.447","0.0002","6.2048","0.0002","20.0037","0.0005","90","","94.868","0.002","90","","1415.66","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","2","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0718","0.0547","","","0.0991","0.1052","","","","","","1.067","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037870","9.8347","0.0005","22.0058","0.0012","10.1652","0.0006","90","","94.998","0.002","90","","2191.6","0.2","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 Br F3 N O3 -","- C25 H17 Br F3 N O3 -","- C100 H68 Br4 F12 N4 O12 -","4","2","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","","0.71073","MoKα","","0.0329","0.0293","","","0.0685","0.0701","","","","","","1.013","","","","has coordinates","247324","2020-10-21","18:00:00",""
"4037891","9.7","0.003","6.943","0.002","15.369","0.005","90","","103.485","0.004","90","","1006.5","0.5","89.95","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O6 P -","- C22 H20 N O6 P -","- C44 H40 N2 O12 P2 -","2","1","","Arai, Ryoga; Hirashima, Shin-Ichi; Nakano, Tatsuki; Kawada, Masahiro; Akutsu, Hiroshi; Nakashima, Kosuke; Miura, Tsuyoshi","Asymmetric Conjugate Addition of Phosphonates to Enones Using Cinchona-Diaminomethylenemalononitrile Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02553","","x-ray","0.71073","MoKα","K-L~3~","0.0341","0.0322","","","0.0779","0.0796","","","","","","1.036","","","","has coordinates,has disorder","247869","2020-10-21","18:00:00",""
"4037907","9.6068","0.0006","6.5971","0.0004","20.956","0.0014","90","","99.521","0.003","90","","1309.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Vázquez-Amaya, Laura Y; Quintero, Leticia; Rodríguez-Molina, Braulio; Sartillo-Piscil, Fernando","Transition-Metal-Free Total Synthesis and Revision of the Absolute Configuration of Pipermethystine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03218","","","1.54178","CuKα","","0.045","0.0394","","","0.0874","0.0914","","","","","","1.081","","","","has coordinates","248093","2020-10-21","18:00:00",""
"4037926","7.9702","0.0003","9.4474","0.0003","12.8774","0.0004","90","","99.231","0.003","90","","957.08","0.06","109.85","0.1","109.85","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 -","- C24 H25 N3 -","- C48 H50 N6 -","2","1","","Chen, Yang; Li, Siqi; Hou, Shili; Xu, Jiaxi; Yang, Zhanhui","Chiral Synthesis of McGeachin-Type Bisaminals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03362","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0857","0.0863","","","","","","1.033","","","","has coordinates","248141","2020-10-21","18:00:00",""
"4037939","14.7777","0.0003","6.0257","0.0001","15.3581","0.0003","90","","99.641","0.001","90","","1348.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H43 N O5 S -","- C28 H43 N O5 S -","- C56 H86 N2 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","","1.54178","CuKα","","0.0257","0.0251","","","0.0646","0.0649","","","","","","1.049","","","","has coordinates","248243","2020-10-21","18:00:00",""
"4037940","6.742","0.0001","21.9829","0.0003","9.798","0.0002","90","","94.208","0.001","90","","1448.23","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H46 N2 O5 S -","- C29 H46 N2 O5 S -","- C58 H92 N4 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0234","0.0233","","","0.0603","0.0604","","","","","","1.032","","","","has coordinates","248244","2020-10-21","18:00:00",""
"4037944","12.0249","0.0011","7.4099","0.0006","13.555","0.0012","90","","113.483","0.003","90","","1107.76","0.17","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","JA-TFG-1","","","- C23 H29 N3 O5 -","- C23 H29 N3 O5 -","- C46 H58 N6 O10 -","2","1","","Navo, Claudio D.; Mazo, Nuria; Oroz, Paula; Gutiérrez-Jiménez, Marta I; Marín, Javier; Asenjo, Juan; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Zurbano, María M; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","Synthesis of N β -Substituted α,β-Diamino Acids via Stereoselective N-Michael Additions to a Chiral Bicyclic Dehydroalanine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03020","","x-ray","0.71076","MoKα","","0.0522","0.0389","","","0.1007","0.1055","","","","","","1.062","","","","has coordinates","248297","2020-10-21","18:00:00",""
"4037957","9.682","0.002","6.4255","0.0014","26.074","0.006","90","","100.179","0.008","90","","1596.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 Cl2 O5 -","- C13 H18 Cl2 O5 -","- C52 H72 Cl8 O20 -","4","2","","Sunnapu, Ranganayakulu; Banoth, Saikumar Naik; R S, Reyno; Thomas, Aleena; Venugopal, Navyasree; Rajendar, Goreti","Stereoselective Total Synthesis of (-)-(2S,4R)-3'-Methoxyl Citreochlorol: Preparation and Use of New Proline Based Auxiliary for Asymmetric Acetate Aldol Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03227","","","0.71073","MoKα","","0.1381","0.0805","","","0.2178","0.267","","","","","","1.04","","","","has coordinates,has disorder","248423","2020-10-21","18:00:00",""
"4037961","8.35326","0.00014","5.76025","0.00011","11.5435","0.0002","90","","95.1416","0.0016","90","","553.202","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C20 H28 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0222","0.0221","","","0.0578","0.0579","","","","","","1.065","","","","has coordinates","248465","2020-10-21","18:00:00",""
"4037962","5.99677","0.00007","7.61343","0.00008","20.4686","0.0002","90","","92.4786","0.001","90","","933.64","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.034","0.0338","","","0.088","0.0882","","","","","","1.028","","","","has coordinates","248466","2020-10-21","18:00:00",""
"4038001","10.7361","0.0003","9.4099","0.0003","12.0507","0.0004","90","","114.088","0.004","90","","1111.42","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C50 H42 Br2 N4 O6 -","2","1","","Guo, Ya-Jun; Guo, Xin; Kong, De-Zhi; Lu, Huijie; Liu, Lantao; Hua, Yuan-Zhao; Wang, Min-Can","Catalytic Asymmetric Synthesis of Tetrahydrofuran Spirooxindoles via Dinuclear Zinc Catalyst.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03378","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.123","0.1326","","","","","","1.051","","","","has coordinates","248675","2020-10-21","18:00:00",""
"4038045","9.087","0.0008","11.7793","0.0011","9.6187","0.0009","90","","111.942","0.004","90","","954.99","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N O6 -","- C20 H24 N O6 -","- C40 H48 N2 O12 -","2","1","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54178","CuKα","","0.1794","0.1157","","","0.2918","0.3854","","","","","","0.992","","","","has coordinates","249183","2020-10-21","18:00:00",""
"4038052","9.2518","0.0009","13.2729","0.0013","20.695","0.002","90","","90.325","0.002","90","","2541.3","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N3 -","- C20 H15 Cl N3 -","- C120 H90 Cl6 N18 -","6","3","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of 4-Azaindolines Using Phase-Transfer Catalysis via an Intramolecular Mannich Reaction.","The Journal of organic chemistry","2020","85","6","4047","4057","10.1021/acs.joc.9b03025","","","0.71073","MoKα","","0.0966","0.0591","","","0.1325","0.1538","","","","","","1.019","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4038054","12.4242","0.0007","7.1204","0.0004","14.6853","0.0007","90","","94.29","0.007","90","","1295.5","0.12","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Niki, Misaki; Hirata, Yushi; Nakazaki, Atsuo; Wu, Jing; Kawagishi, Hirokazu; Nishikawa, Toshio","Biomimetic Synthesis of Chaxine and its Related Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03482","","","1.54187","CuKα","","0.1041","0.0655","","","0.1583","0.1798","","","","","","1.036","","","","has coordinates","249337","2020-10-21","18:00:00",""
"4038066","8.26368","0.00003","7.69518","0.00004","12.43341","0.00005","90","","95.7545","0.0004","90","","786.662","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus Penicillium canescens Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","x-ray","1.54184","CuKα","","0.0265","0.0265","","","0.0705","0.0706","","","","","","1.112","","","","has coordinates","250114","2020-10-21","18:00:00",""
"4038081","10.0988","0.0002","9.9019","0.0002","13.2271","0.0003","90","","97.768","0.001","90","","1310.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)2-Catalyzed Reactions of Ynamides with t-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","0.71073","MoKα","","0.0372","0.0318","","","0.0758","0.0794","","","","","","1.052","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038097","13.0633","0.0008","7.8253","0.0005","13.0916","0.0008","90","","106.413","0.001","90","","1283.74","0.14","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0242","0.0231","","","0.0565","0.0572","","","","","","1.041","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038098","13.1127","0.0007","7.7038","0.0004","14.0568","0.0007","90","","97.859","0.004","90","","1406.65","0.13","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H35 F3 O6 Si -","- C25 H35 F3 O6 Si -","- C50 H70 F6 O12 Si2 -","2","1","","Kim, Jae Hyun; Song, Yeonghun; Kim, Min Jung; Kim, Sanghee","Asymmetric Total Synthesis of Inthomycins A, B, and C.","The Journal of organic chemistry","2020","85","7","4795","4806","10.1021/acs.joc.0c00017","","x-ray","0.71073","MoKα","","0.0658","0.0484","","","0.0953","0.1043","","","","","","1.06","","","","has coordinates","250117","2020-10-21","18:00:00",""
"4038147","10.5804","0.0005","17.897","0.0006","12.255","0.0005","90","","115.276","0.005","90","","2098.41","0.17","293.1","0.1","293.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C49 H50 O8 -","- C49 H50 O8 -","- C98 H100 O16 -","2","1","","Li, Yulong; Xu, Zhezhe; Xie, Zhipeng; Guan, Xingchao; Xie, Zhixiang","Total Synthesis of Nominal ent-Chlorabietol B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00233","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1148","0.1205","","","","","","1.061","","","","has coordinates","249882","2020-10-21","18:00:00",""
"4038174","6.1564","0.0014","11.762","0.003","16.182","0.004","90","","91.513","0.008","90","","1171.4","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-seco-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine Gentianella turkestanorum.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.1088","0.1046","","","0.2668","0.2909","","","","","","1.346","","","","has coordinates","249985","2020-10-21","18:00:00",""
"4038175","6.3727","0.0004","11.1509","0.0007","16.5132","0.0011","90","","92.463","0.003","90","","1172.37","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-seco-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine Gentianella turkestanorum.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.0381","0.0352","","","0.0831","0.0852","","","","","","1.059","","","","has coordinates","249986","2020-10-21","18:00:00",""
"4038194","9.2465","0.0003","7.9689","0.0003","13.2794","0.0006","90","","99.416","0.004","90","","965.3","0.07","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C48 H40 Cl2 N2 O6 -","2","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0877","0.0926","","","","","","1.057","","","","has coordinates","250422","2020-10-21","18:00:00",""
"4038240","5.5826","0.0008","16.132","0.002","11.8958","0.0013","90","","90.12","0.05","90","","1071.3","0.2","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl F2 N O4 S -","- C23 H20 Cl F2 N O4 S -","- C46 H40 Cl2 F4 N2 O8 S2 -","2","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF2-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0685","0.0434","","","0.0836","0.0982","","","","","","1.035","","","","has coordinates","251800","2020-10-21","18:00:00",""
"4038241","13.7682","0.0002","8.6348","0.0001","22.2785","0.0003","90","","96.143","0.001","90","","2633.39","0.06","200","2","199.97","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O3 -","- C33 H26 Cl N O3 -","- C132 H104 Cl4 N4 O12 -","4","2","","Tu, Man-Su; Liu, Si-Jia; Zhong, Chen; Zhang, Shu; Zhang, Huiwen; Zheng, Yuan-Lin; Shi, Feng","Diastereo- and Enantioselective Construction of Biologically Important Chiral 1,3-Dioxolochroman Frameworks via Catalytic Asymmetric [4+2] Cycloadditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00119","","","1.34139","GaKα","","0.067","0.0591","","","0.1614","0.171","","","","","","1.023","","","","has coordinates","250512","2020-10-21","18:00:00",""
"4038246","7.5174","0.0006","10.8721","0.0009","7.6231","0.0006","90","","92.3519","0.001","90","","622.51","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C24 H26 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0227","","","","0.0612","","","","","","1.055","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038248","6.849","0.006","6.272","0.005","7.042","0.006","90","","106.901","0.01","90","","289.4","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H3 Br N2 O3 -","- C3 H3 Br N2 O3 -","- C6 H6 Br2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0255","","","","0.0673","","","","","","1.117","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038250","6.5586","0.0013","7.4628","0.0014","8.5758","0.0017","90","","92.046","0.003","90","","419.48","0.14","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","furoxan","","","- C8 H5 Cl N2 O3 -","- C8 H5 Cl N2 O3 -","- C16 H10 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.0345","0.0312","","","0.0734","0.076","","","","","","1.03","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038268","9.5008","0.0003","19.9938","0.0007","10.2841","0.0004","90","","90.605","0.002","90","","1953.43","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H51 Cl3 N8 O7 -","- C33 H51 Cl3 N8 O7 -","- C66 H102 Cl6 N16 O14 -","2","1","","Imani, Zeynab; Guillot, Régis; Declerck, Valérie; Aitken, David J.","Local versus Global Control of Helical Folding in β-Peptide Segments Using Hydrazino Turns.","The Journal of organic chemistry","2020","85","9","6165","6171","10.1021/acs.joc.0c00305","","x-ray","1.54178","CuKα","","0.0453","0.0437","","","0.118","0.1195","","","","","","1.036","","","","has coordinates","251487","2020-10-21","18:00:00",""
"4038291","5.52511","0.00016","16.3905","0.0005","11.8602","0.0003","90","","100.461","0.002","90","","1056.2","0.05","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0331","0.0295","","","0.0657","0.0672","","","","","","1.04","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038292","5.68294","0.00015","34.9964","0.0006","11.1399","0.0003","90","","100.951","0.002","90","","2175.19","0.09","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.1154","0.0625","","","0.1013","0.1194","","","","","","1.018","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038298","10.9879","0.0003","56.587","0.0016","21.0107","0.0005","90","","90.025","0.003","90","","13063.9","0.6","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C420 H488 Cl8 Co16 F96 N32 O144 S32 -","16","8","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0911","0.0663","","","0.1515","0.1747","","","","","","1.025","","","","has coordinates,has disorder","251111","2020-10-21","18:00:00",""
"4038305","12.2516","0.0013","7.1055","0.0005","13.0019","0.0012","90","","115.11","0.012","90","","1024.9","0.19","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0793","0.0537","","","0.1165","0.1279","","","","","","1.032","","","","has coordinates","251241","2020-10-21","18:00:00",""
"4038307","9.7426","0.0009","6.4084","0.0005","18.2313","0.0014","90","","99.544","0.008","90","","1122.51","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 N2 O4 P -","- C23 H29 N2 O4 P -","- C46 H58 N4 O8 P2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0942","0.066","","","0.1336","0.1512","","","","","","1.006","","","","has coordinates,has disorder","251243","2020-10-21","18:00:00",""
"4038308","10.4076","0.0003","6.5798","0.0002","12.4643","0.0004","90","","100.854","0.001","90","","838.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","1","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic Lycopodium Alkaloids with an Unusual Skeleton from Huperzia serrata.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0336","0.0336","","","0.0848","0.0848","","","","","","1.143","","","","has coordinates","251289","2020-10-21","18:00:00",""
"4038326","14.5879","0.0004","10.2102","0.0003","23.8219","0.0007","90","","106.882","0.002","90","","3395.25","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O7 -","- C34 H42 N4 O7 -","- C136 H168 N16 O28 -","4","2","","Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.","Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing trans-Dialkyl Substituents in Ring D.","The Journal of organic chemistry","2020","85","10","6605","6619","10.1021/acs.joc.0c00608","","","1.54178","CuKα","","0.0631","0.0483","","","0.1224","0.1326","","","","","","1.025","","","","has coordinates,has disorder","252622","2020-10-21","18:00:00",""
"4038357","8.3932","0.0003","13.9575","0.0004","17.1315","0.0005","90","","101.894","0.002","90","","1963.84","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H54 Cl10 N4 Pd2 -","- C30 H54 Cl10 N4 Pd2 -","- C60 H108 Cl20 N8 Pd4 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.033","0.0268","","","0.0539","0.0556","","","","","","1.054","","","","has coordinates","252027","2020-10-21","18:00:00",""
"4038359","16.5022","0.0018","10.2548","0.0011","17.2164","0.0017","90","","104.336","0.004","90","","2822.8","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H108 Li8 N4 O4 -","- C46 H108 Li8 N4 O4 -","- C92 H216 Li16 N8 O8 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.049","0.0415","","","0.104","0.1078","","","","","","1.04","","","","has coordinates,has disorder","252029","2020-10-21","18:00:00",""
"4038405","4.6677","0.0003","11.0185","0.0007","13.017","0.0008","90","","90.865","0.002","90","","669.4","0.07","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C30 H12 F8 I2 N2 O2 -","2","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0176","0.0163","","","0.0397","0.0401","","","","","","1.048","","","","has coordinates","252287","2020-10-21","18:00:00",""
"4038428","11.5479","0.0016","5.7655","0.0009","14.537","0.002","90","","110.348","0.005","90","","907.5","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","LSN3495203","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C36 H36 Br2 N2 O8 S2 -","2","1","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.083","0.0784","","","0.2155","0.2253","","","","","","1.259","","","","has coordinates","252446","2020-10-21","18:00:00",""
"4038429","15.5606","0.0006","8.3186","0.0003","19.5153","0.0007","90","","112.799","0.001","90","","2328.74","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","LSN3179159","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","4","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.0563","0.0554","","","0.1851","0.1874","","","","","","1.641","","","","has coordinates","252447","2020-10-21","18:00:00",""
"4038453","13.926","0.003","14.889","0.003","18.825","0.003","90","","95.369","0.006","90","","3886.1","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H43 N3 O S -","- C49 H43 N3 O S -","- C196 H172 N12 O4 S4 -","4","2","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1641","0.0765","","","0.1589","0.2029","","","","","","0.997","","","","has coordinates","252552","2020-10-21","18:00:00",""
"4038459","11.7009","0.001","13.1974","0.0011","19.6819","0.0017","90","","91.092","0.002","90","","3038.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H37 B N9 O4 P W -","- C25 H37 B N9 O4 P W -","- C100 H148 B4 N36 O16 P4 W4 -","4","2","","Wilde, Justin H.; Dickie, Diane A.; Harman, W. Dean","A Highly Divergent Synthesis of 3-Aminotetrahydropyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00853","","","0.71073","MoKα","","0.0292","0.0231","","","0.0448","0.0467","","","","","","1.021","","","","has coordinates","252651","2020-10-21","18:00:00",""
"4038471","11.3599","0.0009","8.5436","0.0007","21.1845","0.0016","90","","102.804","0.002","90","","2004.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","2","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.084","0.0586","","","0.144","0.1701","","","","","","0.994","","","","has coordinates","253045","2020-10-21","18:00:00",""
"4038496","13.7565","0.0007","10.3255","0.0006","16.8608","0.0007","90","","100.716","0.004","90","","2353.2","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","1","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.0869","0.0563","","","0.1199","0.1397","","","","","","1.04","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038509","8.5612","0.0003","7.1443","0.0002","11.337","0.0003","90","","101.245","0.001","90","","680.1","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Cl2 N O -","- C13 H17 Cl2 N O -","- C26 H34 Cl4 N2 O2 -","2","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (S)-Ketamine and (S)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0285","0.0279","","","0.0709","0.0714","","","","","","1.049","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038540","9.928","0.003","7.168","0.002","21.272","0.007","90","","92.812","0.009","90","","1512","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H15 Br F3 N O2 -","- C14 H15 Br F3 N O2 -","- C56 H60 Br4 F12 N4 O8 -","4","2","","Davies, Alyn T.; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-catalyzed enantioselective synthesis of β-trifluoromethyl-β-hydroxyamides","Beilstein Journal of Organic Chemistry","2020","16","","1572","1578","10.3762/bjoc.16.129","","","0.71075","MoKα","","0.0414","0.0378","","","0.0875","0.106","","","","","","0.874","","","","has coordinates","258193","2020-10-21","18:00:00",""
"4038545","11.2611","0.0006","6.3708","0.0002","12.0672","0.0004","90","","105.942","0.005","90","","832.43","0.06","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0824","0.0575","","","0.126","0.1414","","","","","","1.03","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038569","8.7395","0.0006","8.783","0.0006","11.9719","0.0009","90","","95.873","0.007","90","","914.13","0.11","293","","293","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","9-desmethyl-6-aza(pBrbenzoylated)-artemisinin","","- C19 H20 Br N O6 -","- C19 H20 Br N O6 -","- C38 H40 Br2 N2 O12 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0316","","","","0.0695","","","","","","1.009","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038571","10.1639","0.0007","6.2896","0.0004","22.0115","0.0018","90","","93.038","0.007","90","","1405.15","0.18","296","","296","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","6-aza-ART","6-aza-artemisinin","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","0.0875","0.0571","","","0.1349","0.1524","","","","","","1.035","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038595","11.9289","0.0004","8.8193","0.0003","16.9246","0.0006","90","","100.021","0.002","90","","1753.38","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H41 N O5 S -","- C42 H41 N O5 S -","- C84 H82 N2 O10 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","1.54178","CuKα","","0.0433","0.0393","","","0.0872","0.0896","","","","","","1.059","","","","has coordinates,has disorder","254444","2020-10-21","18:00:00",""
"4038596","5.9632","0.0002","18.9516","0.0009","15.9602","0.0007","90","","95.889","0.002","90","","1794.18","0.13","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H33 N O9 S -","- C42 H33 N O9 S -","- C84 H66 N2 O18 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","0.71073","MoKα","","0.0659","0.0412","","","0.0757","0.0852","","","","","","1.041","","","","has coordinates","254445","2020-10-21","18:00:00",""
"4038603","3.7451","0.0011","7.501","0.002","21.773","0.006","90","","92.94","0.004","90","","610.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 B N3 O5 -","- C12 H10 B N3 O5 -","- C24 H20 B2 N6 O10 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","o-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: o-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0378","0.0344","","","0.0862","0.0881","","","","","","1.037","","","","has coordinates","254521","2020-10-21","18:00:00",""
"4038619","6.3257","0.0003","7.1917","0.0003","20.208","0.001","90","","98.685","0.003","90","","908.77","0.07","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 O5 Si -","- C16 H32 O5 Si -","- C32 H64 O10 Si2 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","1.34139","GaKα","","0.0405","0.0357","","","0.0782","0.0814","","","","","","1.062","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038620","6.7174","0.0004","7.3675","0.0005","14.6311","0.0008","90","","95.693","0.002","90","","720.53","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C30 H52 O8 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0367","0.0329","","","0.0794","0.0829","","","","","","1.017","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038621","7.6652","0.0003","10.2251","0.0003","10.0678","0.0004","90","","97.411","0.003","90","","782.5","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.75 H1.88 N0.12 O0.12 -","- C2.75 H1.875 N0.125 O0.125 -","- C44 H30 N2 O2 -","16","8","","Lyu, Xue-Li; Huang, Shi-Sheng; Huang, Yuan-Qiong; Li, Yongqiang; Song, Hong-Jian; Liu, Yuxiu; Wang, Qingmin","Rhodium(III)-Catalyzed Direct Coupling of Quinoline-8-Carbaldehydes with (Het)Arylboronic Acids for the Synthesis of 8-Aryloylquinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01490","","","0.71073","MoKα","","0.0334","0.0317","","","0.0834","0.0855","","","","","","1.001","","","","has coordinates","254627","2020-10-21","18:00:00",""
"4038626","11.7922","0.0002","7.3144","0.0001","23.5196","0.0003","90","","91.718","0.001","90","","2027.72","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0257","0.0256","","","0.0692","0.0693","","","","","","1.057","","","","has coordinates","254661","2020-10-21","18:00:00",""
"4038628","12.742","0.003","9.0469","0.0019","26.924","0.006","90","","96.544","0.009","90","","3083.5","1.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H25 F6 N O9 S2 -","- C28 H25 F6 N O9 S2 -","- C112 H100 F24 N4 O36 S8 -","4","2","","Chu, Ming-Ming; Chen, Xue-Yang; Wang, Yi-Feng; Qi, Suo-Suo; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Regio- and Enantioselective Friedel-Crafts Benzhydrylation of Indoles in Carbocyclic Ring with ortho-Quinomethanes: Access to Chiral Diarylindolylmethanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03479","","","0.71073","MoKα","","0.1251","0.0878","","","0.2305","0.2687","","","","","","1.034","","","","has coordinates","254685","2020-10-21","18:00:00",""
"4038646","7.858","0.0016","31.257","0.006","28.576","0.006","90","","90","0.01","90","","7019","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H55.75 O6 Si3 -","- C27 H55.75 O6.00025 Si3 -","- C216 H446 O48.002 Si24 -","8","4","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","0.710751","Synchrotron","","0.1062","0.0979","","","0.2425","0.2594","","","","","","1.026","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038650","12.2177","0.0004","12.0514","0.0004","12.2819","0.0004","90","","90.36","0.001","90","","1808.36","0.1","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","4","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","1.54178","CuKα","","0.0631","0.0522","","","0.1237","0.1327","","","","","","1.086","","","","has coordinates","255138","2020-10-21","18:00:00",""
"4038651","13.7694","0.0006","26.093","0.0011","14.2594","0.0007","90","","115.124","0.001","90","","4638.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H86 La2 N4 O6 -","- C86 H86 La2 N4 O6 -","- C172 H172 La4 N8 O12 -","2","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0511","0.0384","","","0.0984","0.1062","","","","","","1.02","","","","has coordinates","255139","2020-10-21","18:00:00",""
"4038677","9.6607","0.0001","11.69","0.0002","13.1805","0.0002","90","","104.823","0.002","90","","1438.98","0.04","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0439","0.0396","","","0.1006","0.1044","","","","","","1.061","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038680","9.9973","0.0001","11.6194","0.0001","13.9974","0.0002","90","","98.549","0.001","90","","1607.91","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H48 N2 -","- C40 H48 N2 -","- C80 H96 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0426","0.0385","","","0.1073","0.1116","","","","","","1.04","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038681","9.8901","0.0003","11.4265","0.0005","13.5336","0.0005","90","","100.593","0.003","90","","1503.36","0.1","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 -","- C38 H44 N2 -","- C76 H88 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0578","0.0552","","","0.1665","0.1707","","","","","","1.095","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038684","10.2971","0.0004","5.3701","0.0002","10.6919","0.0004","90","","94.959","0.002","90","","589.01","0.04","122","2","122","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C26 H28 Cl2 N2 -","2","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0399","0.0335","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","255268","2020-10-21","18:00:00",""
"4038687","13.6569","0.0006","11.1976","0.0007","17.9855","0.0009","90","","97.29","0.005","90","","2728.2","0.3","292.8","0.9","292.8","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl O2 -","- C35 H27 Cl O2 -","- C140 H108 Cl4 O8 -","4","2","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0959","0.0819","","","0.2432","0.2689","","","","","","1.03","","","","has coordinates","255271","2020-10-21","18:00:00",""
"4038699","12.55924","0.00006","5.55118","0.00003","13.81508","0.00007","90","","109.467","0.0005","90","","908.106","0.008","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0325","0.0325","","","0.0905","0.0905","","","","","","1.071","","","","has coordinates","255492","2020-10-21","18:00:00",""
"4038700","12.085","0.002","7.2789","0.0015","14.672","0.003","90","","96.83","0.03","90","","1281.5","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 N O3 P -","- C30 H30 N O3 P -","- C60 H60 N2 O6 P2 -","2","1","","Petrovic, Ana G.; Polavarapu, Prasad L.; Łopusiński, Andrzej; Krasowska, Dorota; Wieczorek, Wanda; Szyrej, Małgorzata; Błaszczyk, Jarosław; Drabowicz, Józef","Absolute Configuration and Conformation of (-)-R-t-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00756","","","0.71073","MoKα","","0.0277","0.0258","","","0.0673","0.0688","","","","","","1.047","","","","has coordinates","255494","2020-10-21","18:00:00",""
"4038733","7.4743","0.0002","16.7492","0.0003","9.742","0.0002","90","","111.695","0.001","90","","1133.2","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N5 P -","- C23 H34 N5 P -","- C46 H68 N10 P2 -","2","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of N-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0373","0.0333","","","0.0767","0.0785","","","","","","1.055","","","","has coordinates","255932","2020-10-21","18:00:00",""
"4038739","7.7605","0.0001","9.6596","0.0001","11.3533","0.0001","90","","101.556","0.001","90","","833.829","0.016","99.9","0.8","99.9","0.8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0766","0.0768","","","","","","1.05","","","","has coordinates","256314","2020-10-21","18:00:00",""
"4038759","9.896","0.0002","21.172","0.0004","14.8082","0.0003","90","","100.901","0.002","90","","3046.6","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H64 N4 O8 Rh2 -","- C72 H64 N4 O8 Rh2 -","- C144 H128 N8 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0197","0.0192","","","0.0488","0.049","","","","","","1.029","","","","has coordinates","256466","2020-10-21","18:00:00",""
"4038761","9.8716","0.0008","18.221","0.003","18.301","0.002","90","","91.066","0.01","90","","3291.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H58 N2 O8 Rh2 -","- C68 H58 N2 O8 Rh2 -","- C136 H116 N4 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","1.54184","CuKα","","0.1024","0.0689","","","0.1717","0.189","","","","","","1.0319","","","","has coordinates","256468","2020-10-21","18:00:00",""
"4038773","9.5051","0.0018","8.8409","0.0018","20.79","0.004","90","","90.242","0.003","90","","1747","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N3 O7 -","- C14 H25 N3 O7 -","- C56 H100 N12 O28 -","4","2","","Richaud, Alexis D.; Roche, Stéphane P","Structure-Property Relationship Study of N-(Hydroxy)Peptides for the Design of Self-Assembled Parallel β-Sheets.","The Journal of organic chemistry","2020","85","19","12329","12342","10.1021/acs.joc.0c01441","","x-ray","0.41328","synchrotron","","0.1055","0.0689","","","0.1604","0.1873","","","","","","1.009","","","","has coordinates","257134","2020-10-21","18:00:00",""
"4038793","9.5514","0.0013","10.8418","0.0015","18.966","0.003","90","","102.372","0.005","90","","1918.4","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H44 N4 O -","- C47 H44 N4 O -","- C94 H88 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0377","0.0368","","","0.1009","0.1019","","","","","","1.042","","","","has coordinates,has disorder","257150","2020-10-21","18:00:00",""
"4038794","12.5152","0.0011","8.1909","0.0007","18.3478","0.0016","90","","109.467","0.002","90","","1773.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H48 N4 O -","- C41 H48 N4 O -","- C82 H96 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0397","0.0392","","","0.1034","0.1041","","","","","","1.03","","","","has coordinates","257150","2020-10-21","18:00:00",""
"4038796","8.4921","0.0011","11.0952","0.0014","8.7511","0.0011","90","","118.324","0.002","90","","725.83","0.16","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O S2 -","- C15 H18 O S2 -","- C30 H36 O2 S4 -","2","1","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.0284","0.0277","","","0.0714","0.0721","","","","","","1.067","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038797","11.774","0.003","6.7993","0.0016","13.767","0.003","90","","101.189","0.004","90","","1081.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(but-3-en-2-yl)-1,3-dithiane-2-carboxylic acid","","- C9 H14 O2 S2 -","- C9 H14 O2 S2 -","- C36 H56 O8 S8 -","4","2","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.055","0.053","","","0.1531","0.1561","","","","","","1.001","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038830","8.8123","0.0002","30.9425","0.0007","9.2575","0.0002","90","","98.8763","0.0008","90","","2494.05","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 Li N3 P -","- C24 H39 Li N3 P -","- C96 H156 Li4 N12 P4 -","4","2","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.034","0.0337","","","0.0908","0.0911","","","","","","1.016","","","","has coordinates","256679","2020-10-21","18:00:00",""
"4038832","10.8041","0.0006","15.3336","0.0008","13.3346","0.0007","90","","102.262","0.0014","90","","2158.7","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H54 B F4 N2 O4 P4 Rh -","- C40 H54 B F4 N2 O4 P4 Rh -","- C80 H108 B2 F8 N4 O8 P8 Rh2 -","2","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.0254","0.0254","","","0.0682","0.0682","","","","","","1.044","","","","has coordinates","256681","2020-10-21","18:00:00",""
"4038838","9.6838","0.0002","8.3369","0.0001","9.8668","0.0002","90","","116.416","0.002","90","","713.4","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Li, Shu-Sen; Wang, Jianbo","Cu(I)/Chiral Bisoxazoline-Catalyzed Enantioselective Sommelet-Hauser Rearrangement of Sulfonium Ylides.","The Journal of organic chemistry","2020","85","19","12343","12358","10.1021/acs.joc.0c01590","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.0596","0.0596","","","","","","1.028","","","","has coordinates","257151","2020-10-21","18:00:00",""
"4038861","7.756","0.003","43.788","0.014","9.04","0.003","90","","114.516","0.008","90","","2793.4","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 Br O4 Si -","- C26 H41 Br O4 Si -","- C104 H164 Br4 O16 Si4 -","4","2","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","0.71073","MoKα","","0.0811","0.0527","","","0.0994","0.1105","","","","","","1.039","","","","has coordinates,has disorder","256959","2020-10-21","18:00:00",""
"4038863","10.676","0.004","8.467","0.003","11.173","0.004","90","","106.897","0.004","90","","966.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Debnath, Sudipto; Das, Tuluma; Pati, Tanmay K.; Majumdar, Swapan; Maiti, Dilip K.","Metal-Free Indole-Phenacyl Bromide Cyclization: A Regioselective Synthesis of 3,5-Diarylcarbazoles.","The Journal of organic chemistry","2020","85","20","13272","13279","10.1021/acs.joc.0c01670","","","0.71073","MoKα","","0.0422","0.0358","","","0.0915","0.0983","","","","","","0.846","","","","has coordinates","258718","2020-11-04","01:30:53",""
"4038873","10.957","0.003","19.503","0.004","13.36","0.003","90","","106.509","0.003","90","","2737.3","1.1","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(1,10-Di((R)-(1?-phenylethyl)-3,8,12,17-(RSSR)-tetra(4-methylpyridine-2?-yl)-1,10-diaza? 3,8,12,17?tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C52 H66 B2 F8 N6 Ni O0 P4 -","- C52 H66 B2 F8 N6 Ni P4 -","- C104 H132 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P4N2 macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0841","0.0587","","","0.1531","0.1738","","","","","","0.968","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038888","10.5346","0.0005","15.4968","0.0007","10.755","0.0006","90","","110.95","0.004","90","","1639.71","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl F6 N3 -","- C15 H16 Cl F6 N3 -","- C60 H64 Cl4 F24 N12 -","4","2","","Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L.","Catalyst-Controlled Regioselective Chlorination of Phenols and Anilines through a Lewis Basic Selenoether Catalyst","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01917","","x-ray","1.54178","CuKα","","0.1016","0.0638","","","0.1525","0.1775","","","","","","1.025","","","","has coordinates","258317","2020-10-21","18:00:00",""
"4038896","8.1816","0.0005","17.041","0.0009","12.2796","0.0008","90","","107.688","0.007","90","","1631.12","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl2 N3 Pd -","- C38 H37 Cl2 N3 Pd -","- C76 H74 Cl4 N6 Pd2 -","2","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0242","0.0228","","","0.0544","0.0553","","","","","","1.056","","","","has coordinates","258452","2020-10-21","18:00:00",""
"4038900","19.695","0.004","9.1282","0.0016","21.618","0.004","90","","96.451","0.011","90","","3861.9","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O12 -","- C46 H46 N2 O12 -","- C184 H184 N8 O48 -","4","2","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54178","CuKα","","0.0579","0.0449","","","0.0998","0.1064","","","","","","1.031","","","","has coordinates,has disorder","258523","2020-10-21","05:26:23",""
"4038905","6.9385","0.0002","11.2966","0.0004","16.5485","0.0006","90","","93.908","0.001","90","","1294.08","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C50 H70 N2 O14 -","2","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0505","0.0394","","","0.1114","0.118","","","","","","1.06","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038943","10.3223","0.0004","6.0857","0.0003","11.5807","0.0005","90","","94.121","0.002","90","","725.6","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines via [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","","0.71073","MoKα","","0.0592","0.0533","","","0.141","0.1463","","","","","","1.07","","","","has coordinates","260347","2021-01-02","00:10:44",""
"4038980","11.2972","0.0005","16.7556","0.0007","11.4331","0.0005","90","","92.288","0.002","90","","2162.46","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","CSZS355","","","- C19 H26 Cl2 N P Pd -","- C19 H26 Cl2 N P Pd -","- C76 H104 Cl8 N4 P4 Pd4 -","4","2","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0465","0.0333","","","0.0667","0.0711","","","","","","1.042","","","","has coordinates","272287","2022-01-27","10:25:19",""
"4038993","4.9733","0.0001","12.1827","0.0003","14.5857","0.0003","90","","92.319","0.001","90","","883","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","2","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0351","0.0351","","","0.1015","0.1015","","","","","","1.059","","","","has coordinates,has Fobs","275607","2022-05-22","12:31:22",""
"4038997","7.4796","0.0002","5.1345","0.0001","11.9958","0.0003","90","","104.155","0.001","90","","446.699","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C16 H8 N16 -","2","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0359","0.0358","","","0.0904","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","275611","2022-05-22","12:40:46",""
"4039019","5.5075","0.0016","5.6395","0.0015","19.524","0.006","90","","93.936","0.009","90","","605","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C24 H30 N2 O6 S2 -","2","1","","Joyeux, Benjamin; Gamet, Antoine; Casaretto, Nicolas; Nay, Bastien","Asymmetric synthesis of a stereopentade fragment toward latrunculins","Beilstein Journal of Organic Chemistry","2023","19","","428","433","10.3762/bjoc.19.32","","","0.71073","MoKα","","0.1064","0.0832","","","0.2167","0.2346","","","","","","1.078","","","","has coordinates,has disorder","282631","2023-04-14","01:54:22",""
"4060008","8.34","0.01","11.15","0.01","8.538","0.008","90","","106.8","0.04","90","","760","1","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.029","","","","0.04","","","","","","0.922","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060009","11.367","0.006","11.559","0.004","26.73","0.01","90","","90.02","0.02","90","","3511","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","4","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.052","","","","0.099","","","","","","0.823","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060013","11.615","0.003","6.6412","0.0019","14.076","0.004","90","","95.389","0.005","90","","1081","0.5","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","04017a","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Jian Huang; Richard P. Hsung","Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides","Journal of the American Chemical Society","2005","127","","50","51","10.1021/ja044760b","","","","","","0.0719","0.0528","","","0.1276","0.1422","","","","","","1.092","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060023","9.033","0.003","24.752","0.008","13.027","0.004","90","","104.991","0.006","90","","2813.6","1.6","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Cu2I2(PCP)]","","","- C53 H48 Cl4 Cu2 Fe2 I2 N2 P2 -","- C52.966 H47.932 Cl3.932 Cu2 Fe2 I2 N2 P2 -","- C105.932 H95.864 Cl7.864 Cu4 Fe4 I4 N4 P4 -","2","1","","Sebastian Gischig; Antonio Togni","A Dinuclear Copper(I) Complex Containing a Bridging Chiral Tridentate Carbene Ligand","Organometallics","2005","24","","203","205","10.1021/om049097e","","x-ray","0.71073","MoKα","","0.0436","0.0395","","","0.1012","0.1041","","","","","","1.016","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060055","11.1571","0.0009","13.699","0.0011","11.3873","0.001","90","","113.103","0.002","90","","1600.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O9 W -","- C32.7 H29 N O9 W -","- C65.4 H58 N2 O18 W2 -","2","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0804","0.0519","","","0.1181","0.1752","","","","","","0.912","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060079","8.9255","0.0003","13.1723","0.0004","9.6629","0.0004","90","","115.278","0.001","90","","1027.28","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(pentamethylcyclopentadienyl)(isopropyldimethylphosphine) (methyldichlorosilyl)ruthenium dihydride","","- C16 H33 Cl2 P Ru Si -","- C16 H33 Cl2 P Ru Si -","- C32 H66 Cl4 P2 Ru2 Si2 -","2","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0314","0.0299","","","0.0767","0.0786","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060271","8.262","0.008","17.49","0.03","18.63","0.02","90","","100.25","0.02","90","","2649.7","5.9","173","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H86 Br2 Ni2 P4 -","- C49 H86 Br2 Ni2 P4 -","- C98 H172 Br4 Ni4 P8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.071","","","","0.213","","","","","","1.073","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060304","8.132","0.003","21.599","0.008","8.376","0.003","90","","109.02","0.005","90","","1390.8","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 O2 S2 Yb2 -","- C28 H36 O2 S2 Yb2 -","- C56 H72 O4 S4 Yb4 -","2","1","","Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","","","","","10.1021/om0490132","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060338","8.3609","0.0007","29.333","0.002","10.0818","0.0008","90","","99.222","0.002","90","","2440.6","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H30 Br Mn N O3 P -","- C23.5 H30 Br Mn N O3 P -","- C94 H120 Br4 Mn4 N4 O12 P4 -","4","2","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060361","14.05","0.003","6.38","0.001","14.914","0.003","90","","111.01","0.02","90","","1248","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H37 N O3 -","- C27 H37 N O3 -","- C54 H74 N2 O6 -","2","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","219238","2020-10-21","18:00:00",""
"4060379","11.4543","0.0003","24.8203","0.0006","14.0568","0.0002","90","","109.053","0.001","90","","3777.4","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C85 H72 Cl6 Fe2 P4 Ru2 -","- C85 H72 Cl6 Fe2 P4 Ru2 -","- C170 H144 Cl12 Fe4 P8 Ru4 -","2","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049086l","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060380","14.0106","0.0003","12.4532","0.0003","24.152","","90","","94.764","0.001","90","","4199.42","0.14","293","2","293","2","","","","","","","","11","P 1 21 1","P 2yb","4","","","","- C43.5 H37 Cl1.5 Cu F3 Fe N O2 P2 Ru Sb0.5 -","- C43.5 H37 Cl1.5 Cu F3 Fe N O2 P2 Ru Sb0.5 -","- C174 H148 Cl6 Cu4 F12 Fe4 N4 O8 P8 Ru4 Sb2 -","4","2","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049086l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060496","13.564","0.003","14.897","0.003","13.853","0.003","90","","117.49","0.03","90","","2483.1","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H50 Cl6 O4 P2 Ru -","- C42 H46 Cl2 O4 P2 Ru -","- C84 H92 Cl4 O8 P4 Ru2 -","2","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0422","0.0403","","","0.1136","0.1153","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060521","5.9163","0.0004","11.0261","0.0008","11.0801","0.0008","90","","94.608","0.002","90","","720.46","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H21 Br2 N3 -","- C10 H21 Br2 N3 -","- C20 H42 Br4 N6 -","2","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0164","0.0159","","","0.0396","0.0397","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060533","8.2524","0.0005","16.0006","0.001","9.4409","0.0006","90","","91.441","0.005","90","","1246.21","0.13","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl F6 Ir N3 O2 P -","- C20 H28 Cl F6 Ir N3 O2 P -","- C40 H56 Cl2 F12 Ir2 N6 O4 P2 -","2","1","","Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma","Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)","Organometallics","2005","24","8","1799","1802","10.1021/om050073x","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060559","8.9778","0.0005","15.5446","0.0008","10.1242","0.0005","90","","110.34","0.001","90","","1324.8","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Br2 P2 Pt -","- C24 H36 Br2 P2 Pt -","- C48 H72 Br4 P4 Pt2 -","2","1","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060602","8.8775","0.0008","15.4784","0.0015","14.9072","0.0014","90","","91.65","0.002","90","","2047.5","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H7 N O9 Os3 S -","- C16 H7 N O9 Os3 S -","- C64 H28 N4 O36 Os12 S4 -","4","2","","","","Organometallics","2006","","","","","10.1021/om050719l","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060629","9.6939","0.0019","16.621","0.003","13.931","0.003","90","","104.16","0.03","90","","2176.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H74 Li2 N4 O -","- C47 H74 Li2 N4 O -","- C94 H148 Li4 N8 O2 -","2","1","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060630","9.7174","0.0018","16.668","0.003","14.42","0.002","90","","106.2","0.02","90","","2242.9","0.7","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H74 Li2 N4 O2 -","- C47 H74 Li2 N4 O2 -","- C94 H148 Li4 N8 O4 -","2","1","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060732","11.8","0.01","16.03","0.008","12.07","0.01","90","","118.15","0.05","90","","2012.5","0.3","296.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl F3 O4 Ru2 S3 -","- C37 H48 Cl F3 O4 Ru2 S3 -","- C74 H96 Cl2 F6 O8 Ru4 S6 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060735","11.94","0.003","11.711","0.003","13.548","0.003","90","0.0001","108.33","0.01","90","0.0001","1798.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H32 Cl2 O P2 Pd -","- C44 H32 Cl2 O P2 Pd -","- C88 H64 Cl4 O2 P4 Pd2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178496","2020-10-21","18:00:00",""
"4060979","9.594","0.004","15.841","0.01","10.786","0.005","90","","106.49","0.03","90","","1572","1.4","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","((C10H6)O)2PNCH((Me)(Ph))2","","","?","- C37 H32 Cl2 N O2 P -","- C74 H64 Cl4 N2 O4 P2 -","2","1","","Hölscher, Markus; Franciò, Giancarlo; Leitner, Walter","Origin of Enantioselectivity in Asymmetric Hydrovinylations Catalyzed by Phosphoramidite Nickel Catalysts: An Experimentally Supported Density Functional Study","Organometallics","2004","23","23","5606","5617","10.1021/om040107l","","","","","","","","","","","","","","","","","","","","","has coordinates","209933","2020-10-21","18:00:00",""
"4061009","9.28","0.01","12.903","0.014","12.147","0.013","90","","108.389","0.017","90","","1380","3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H25 B F4 O3 Ru2 Si2 -","- C25 H25 B F4 O3 Ru2 Si2 -","- C50 H50 B2 F8 O6 Ru4 Si4 -","2","1","","Klein, David P.; Ellern, Arkady; Angelici, Robert J.","New Mechanism for the Intermolecular Hydroamination of Alkynes: Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl Ligand","Organometallics","2004","23","24","5662","5670","10.1021/om049377u","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061014","9.1421","0.0005","17.6693","0.0009","11.2531","0.0006","90","","91.484","0.001","90","","1817.15","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 B10 P2 Ru -","- C36 H44 B10 P2 Ru -","- C72 H88 B20 P4 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061057","15.167","0.004","13.976","0.003","21.634","0.003","90","","108.01","0.01","90","","4361","1","155.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80.5 H81 Cl5 F12 N2 P8 Pt3 -","- C80.5 H76 Cl5 F12 N2 P8 Pt3 -","- C161 H152 Cl10 F24 N4 P16 Pt6 -","2","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061065","14.942","0.003","9.6865","0.0019","16.344","0.003","90","","114.46","0.03","90","","2153.2","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H55 Cl N2 O P2 Ru -","- C46 H48 Cl N2 O P2 Ru -","- C92 H96 Cl2 N4 O2 P4 Ru2 -","2","1","","Guo, Rongwei; Lough, Alan J.; Morris, Robert H.; Song, Datong","Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes of a Beta-aminophosphine Ligand Derived from Norephedrine","Organometallics","2004","23","23","5524","5529","10.1021/om049460h","","","","","","","","","","","","","","","","","","","","","has coordinates","209927","2020-10-21","18:00:00",""
"4061067","17.667","0.004","11.113","0.002","33.147","0.007","90","","90.35","0.03","90","","6508","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H70 Cl0.8 N0.8 O0.8 P2.4 Ru0.8 -","- C62.8 H51.2 Cl0.8 N0.8 P2.4 Ru0.8 -","- C314 H256 Cl4 N4 P12 Ru4 -","5","2.5","","Guo, Rongwei; Lough, Alan J.; Morris, Robert H.; Song, Datong","Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes of a Beta-aminophosphine Ligand Derived from Norephedrine","Organometallics","2004","23","23","5524","5529","10.1021/om049460h","","","","","","","","","","","","","","","","","","","","","has coordinates","209927","2020-10-21","18:00:00",""
"4061073","7.4678","0.0003","7.4018","0.0004","13.1418","0.0005","90","","98.381","0.005","90","","718.66","0.06","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H8 Cl Cr Hg N O3 -","- C14 H8 Cl Cr Hg N O3 -","- C28 H16 Cl2 Cr2 Hg2 N2 O6 -","2","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","209943","2020-10-21","18:00:00",""
"4061078","9.1671","0.0005","17.177","0.001","9.2018","0.0008","90","","69.746","0.003","90","","1359.3","0.2","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl2 Ru2 Se2 -","- C24 H40 Cl2 Ru2 Se2 -","- C48 H80 Cl4 Ru4 Se4 -","2","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061089","12.6284","0.0015","9.8217","0.0012","17.538","0.002","90","","99.331","0.002","90","","2146.5","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 Li4 N4 -","- C48 H64 Li4 N4 -","- C96 H128 Li8 N8 -","2","1","","Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter","Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium","Organometallics","2004","23","23","5389","5391","10.1021/om0494871","","","","","","","","","","","","","","","","","","","","","has coordinates","209918","2020-10-21","18:00:00",""
"4061106","9.892","0.002","21.841","0.003","11.99","0.002","90","","119.715","0.003","90","","2249.8","0.6","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H59 B Ir2 S2 -","- C53 H59 B Ir2 S2 -","- C106 H118 B2 Ir4 S4 -","2","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061109","9.889","0.002","21.831","0.003","11.133","0.002","90","","110.894","0.003","90","","2245.5","0.6","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H59 B Rh2 S2 -","- C53 H59 B Rh2 S2 -","- C106 H118 B2 Rh4 S4 -","2","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061154","11.5543","0.0007","23.1672","0.0009","20.9274","0.0015","90","","96.751","0.008","90","","5563","0.6","200","","","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C93 H42 B2 Cl2 F48 N2 O4 P4 Ru2 -","- C93 H42 B2 Cl2 F48 N2 O4 P4 Ru2 -","- C186 H84 B4 Cl4 F96 N4 O8 P8 Ru4 -","2","1","","Kumar, P. G. Anil; Pregosin, P. S.; Vallet, M.; Bernardinelli, G.; Jazzar, R. F.; Viton, F.; Kündig, E. P.","Toward an Understanding of the Anion Effect in CpRu-Based Diels‒Alder Catalysts via PGSE-NMR Measurements","Organometallics","2004","23","23","5410","5418","10.1021/om049559o","","","","","","","","","","","","","","","","","","","","","has coordinates","209919","2020-10-21","18:00:00",""
"4061155","12.1877","0.0008","17.24","0.0008","18.6316","0.0013","90","","96.268","0.008","90","","3891.4","0.5","200","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H32 B F44 N O2 P2 Ru -","- C78 H32 B F44 N O2 P2 Ru -","- C156 H64 B2 F88 N2 O4 P4 Ru2 -","2","1","","Kumar, P. G. Anil; Pregosin, P. S.; Vallet, M.; Bernardinelli, G.; Jazzar, R. F.; Viton, F.; Kündig, E. P.","Toward an Understanding of the Anion Effect in CpRu-Based Diels‒Alder Catalysts via PGSE-NMR Measurements","Organometallics","2004","23","23","5410","5418","10.1021/om049559o","","","","","","","","","","","","","","","","","","","","","has coordinates","209919","2020-10-21","18:00:00",""
"4061163","7.0933","0.0012","7.9013","0.0013","12.462","0.002","90","","102.582","0.004","90","","681.7","0.2","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H19 Co -","- C17 H19 Co -","- C34 H38 Co2 -","2","1","","Mutseneck, Elena V.; Loginov, Dmitry A.; Perekalin, Dmitry S.; Starikova, Zoya A.; Golovanov, Denis G.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Laschi, Franco; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Five-Electron Carbo- and Heterocyclic Ligands","Organometallics","2004","23","25","5944","5957","10.1021/om0495832","","","","","","","","","","","","","","","","","","","","","has coordinates","209960","2020-10-21","18:00:00",""
"4061172","10.7821","0.0017","13.22","0.007","12.5118","0.0018","90","","100.691","0.012","90","","1752.4","1","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H34 Cr O3 P2 -","- C42 H34 Cr O3 P2 -","- C84 H68 Cr2 O6 P4 -","2","1","","Englert, Ulli; Hu, Chunhua; Salzer, Albrecht; Alberico, Elisabetta","Conformationally Constrained Diphosphines Derived from (η6-(S)-1-(dimethylamino)indane)Cr(CO)3: Synthesis and Application in Enantioselective Hydrogenation","Organometallics","2004","23","23","5419","5431","10.1021/om049628z","","","","","","","","","","","","","","","","","","","","","has coordinates","209920","2020-10-21","18:00:00",""
"4061179","11.609","0.004","14.963","0.002","15.202","0.001","90","","99.29","0.01","90","","2606","0.8","183.2","","183.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H59 F6 O3 P5 Ru -","- C57 H59 F6 O3 P5 Ru -","- C114 H118 F12 O6 P10 Ru2 -","2","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","","","","","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061209","10.5185","0.0011","12.548","0.001","20.266","0.002","90","","102.507","0.002","90","","2611.4","0.5","113.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H70 B2 F8 O2 Pt4 -","- C56 B2 F8 O2 Pt4 -","- C112 B4 F16 O4 Pt8 -","2","1","","Suzaki, Yuji; Osakada, Kohtaro","Transmetalation of Phenylplatinum(II) Complex. Isolation and Characterization of a Dinuclear Intermediate in Intermolecular Phenyl Ligand Transfer","Organometallics","2004","23","21","5081","5084","10.1021/om049798b","","","","","","","","","","","","","","","","","","","","","has coordinates","209906","2020-10-21","18:00:00",""
"4061250","9.502","0.003","9.974","0.003","19.771","0.006","90","","111.98","0.02","90","","1737.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H37 Cl O P2 Ru -","- C41 H37 Cl O P2 Ru -","- C82 H74 Cl2 O2 P4 Ru2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049408l","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061292","8.71","0.0002","13.034","0.0004","12.038","0.0002","90","","95.954","0.0015","90","","1359.26","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H42 F5 N P2 Pd -","- C23 H42 F5 N P2 Pd -","- C46 H84 F10 N2 P4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049448p","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061329","10.3565","0.0001","8.3648","0.0001","14.5157","0.0002","90","","105.689","0.001","90","","1210.65","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl4 P Ru -","- C23 H25 Cl4 P Ru -","- C46 H50 Cl8 P2 Ru2 -","2","1","","Pinto, P.; Marconi, G.; Heinemann, F. W.; Zenneck, U.","Diastereoselective Formation of Chiral-At-Metal P-Tethered Arene Ruthenium(II) Complexes.","Organometallics","2004","","","","","10.1021/om0305768","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061426","9.8579","0.0006","20.2719","0.0012","11.175","0.0007","90","","115","0.001","90","","2024","0.2","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H44 Cl Ir N2 O -","- C52 H44 Cl Ir N2 O -","- C104 H88 Cl2 Ir2 N4 O2 -","2","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N‒H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","209048","2020-10-21","18:00:00",""
"4061439","11.3579","0.0003","14.7348","0.0005","15.5007","0.0005","90","","98.663","0.002","90","","2564.55","0.13","173.2","","173.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H52 F12 N3 P Ru Sb2 -","- C46 H52 F12 N3 P Ru Sb2 -","- C92 H104 F24 N6 P2 Ru2 Sb4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0501226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061508","10.125","0.0008","12.9507","0.0011","10.6275","0.0009","90","","112.38","0.002","90","","1288.58","0.19","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dichloro[(S)-2-(2-(diphenylarsino)phenyl)-4-(isopropyl)ox","","","- C24 H24 As Cl2 N O Pt -","- C24 H24 As Cl2 N O Pt -","- C48 H48 As2 Cl4 N2 O2 Pt2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050237+","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061529","11.005","0.003","7.315","0.002","11.76","0.003","90","","94.92","0.03","90","","943.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cr Fe O3 -","- C22 H16 Cr Fe O3 -","- C44 H32 Cr2 Fe2 O6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050307c","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061539","7.3799","0.0004","15.5443","0.0009","10.0696","0.0006","90","","102.281","0.001","90","","1128.7","0.11","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H29 B10 Cl O Si Ti -","- C13 H29 B10 Cl O Si Ti -","- C26 H58 B20 Cl2 O2 Si2 Ti2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050312g","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061574","8.971","0.0016","14.164","0.002","11.563","0.002","90","","93.02","0.02","90","","1467.3","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 O2 P2 S2 -","- C31 H34 O2 P2 S2 -","- C62 H68 O4 P4 S4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061607","9.491","0.001","14.337","0.001","16.248","0.001","90","","102.53","0.01","90","","2158.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl O P Pd -","- C23 H24 Cl O P Pd -","- C92 H96 Cl4 O4 P4 Pd4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050421v","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061685","11.447","0.0005","17.4387","0.0008","11.4796","0.0006","90","","97.761","0.003","90","","2270.6","0.2","173.2","","173.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H41 F6 P2 Pd S Sb -","- C49 H41 F6 P2 Pd S Sb -","- C98 H82 F12 P4 Pd2 S2 Sb2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050537r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061694","8.5542","0.0003","15.911","0.0006","15.4317","0.0006","90","","102.138","0.001","90","","2053.39","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H29 Cl2 N2 O4 Rh -","- C16 H29 Cl2 N2 O4 Rh -","- C64 H116 Cl8 N8 O16 Rh4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050553o","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061721","10.2369","0.0009","12.5527","0.0011","21.4906","0.0019","90","","100.301","0.002","90","","2717","0.4","137","2","137","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H76 Al2 N2 O3 -","- C62 H76 Al2 N2 O3 -","- C124 H152 Al4 N4 O6 -","2","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061776","13.9242","0.0011","21.3124","0.0013","10.3496","0.0008","90","","93.597","0.009","90","","3065.3","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H45 B F4 O2 Ru3 -","- C30 H45 B F4 O2 Ru3 -","- C120 H180 B4 F16 O8 Ru12 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061778","10.7187","0.0008","11.2686","0.0007","16.9618","0.0012","90","","106.791","0.008","90","","1961.4","0.2","153","2","153","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H56 B Cl2 F4 N O4 Ru3 -","- C36 H56 B Cl2 F4 N O4 Ru3 -","- C72 H112 B2 Cl4 F8 N2 O8 Ru6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061779","14.534","0.0006","11.1589","0.0004","32.203","0.0013","90","","91.279","0.003","90","","5221.5","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H68 Cl2 F6 N O8 P Ru3 -","- C39 H60.5 F6 N O5 P Ru3 -","- C156 H242 F24 N4 O20 P4 Ru12 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061811","16.168","0.003","10.617","0.002","21.241","0.004","90","","111.6","0.03","90","","3390","1.2","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","[bis(2,6-dimethoxyphenylcalcium)]3.[calciumoxide].[benzen","","","- C72 H78 Ca4 O13 -","- C72 H78 Ca4 O13 -","- C144 H156 Ca8 O26 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050760o","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061871","11.3658","0.0001","16.5331","0.0002","11.5392","0.0001","90","","113.679","0.0005","90","","1985.8","0.04","153","1","153","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H61 N2 O Sc Si -","- C40 H61 N2 O Sc Si -","- C80 H122 N4 O2 Sc2 Si2 -","2","1","","Estler, F.; Eickerling, G.; Herdtweck, E.; Anwander, R.","Organorare-Earth Complexes Supported by Chelating Diamide Ligands","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061892","9.2892","0.0002","9.6862","0.0002","16.786","0.0006","90","","92.111","0.001","90","","1509.33","0.07","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H45 F3 N O3 P Pd S -","- C28 H45 F3 N O3 P Pd S -","- C56 H90 F6 N2 O6 P2 Pd2 S2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061895","11.0597","0.0001","19.3488","0.0003","16.9257","0.0003","90","","99.22","0.001","90","","3575.17","0.09","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H96 F6 N2 O5 P2 Pd2 -","- C74 H96 F6 N2 O5 P2 Pd2 -","- C148 H192 F12 N4 O10 P4 Pd4 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178515","2020-10-21","18:00:00",""
"4061911","8.415","0.005","12.852","0.006","15.277","0.008","90","0.008","100.04","0.06","90","0.06","1626.9","1.5","293","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29.5 H17 Cl N2 O9 Os3 -","- C29.5 H17 Cl N2 O9 Os3 -","- C59 H34 Cl2 N4 O18 Os6 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061916","7.6177","0.0005","7.5667","0.0005","13.6722","0.001","90","","99.07","0.001","90","","778.22","0.09","110","0","110","0","","","","","","","","6","P 1 21 1","P 2yb","4","1,2-Bis(cyanomercurio)tetrafluorobenzene-benzaldehyde adduct","","","- C15 H6 F4 Hg2 N2 O -","- C15 H6 F4 Hg2 N2 O -","- C30 H12 F8 Hg4 N4 O2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4061986","9.8601","0.0001","14.2854","0.0001","11.1054","0.0001","90","","102.269","0.0005","90","","1528.53","0.02","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H45 Cl O2 Ti -","- C33 H45 Cl O2 Ti -","- C66 H90 Cl2 O4 Ti2 -","2","1","","González-Maupoey, M.; Cuenca, T.; Frutos, L. M.; Castano, O.; Herdtweck, E.","Mono-cyclopentadienyl and ansa-monocyclopentadienyl-alkoxo complexes of titanium containing the 2,2'-CH2-bis(4-methyl-6-tert-butyl-phenoxo) ligand (MBMP). Synthesis, characterization and polymerization catalyst behavior. Molecular structure of Ti(h5-C5H5)(h2-MBMP)Cl, Ti(h5-C5Me5)(h2-MBMP)Cl and Ti(h5-C5H4SiMe2-h1-MBMP)Cl2.","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4062003","6.9033","0.0006","10.7878","0.001","8.7543","0.001","90","","113.216","0.002","90","","599.15","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 O2 Pd -","- C14 H16 O2 Pd -","- C28 H32 O4 Pd2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062064","11.4024","0.0009","14.2203","0.002","19.0087","0.0021","90","","90.379","0.008","90","","3082.1","0.6","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H50 Mo2 O8 P2 S4 W2 -","- C66 H50 Mo2 O8 P2 S4 W2 -","- C132 H100 Mo4 O16 P4 S8 W4 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","0.049","","","0.03","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062072","9.0397","0.0002","14.2113","0.0003","12.5971","0.0002","90","","101.237","0.002","90","","1587.27","0.04","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H35 I O P2 Pd -","- C35 H35 I O P2 Pd -","- C70 H70 I2 O2 P4 Pd2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062075","9.744","0.0002","11.922","0.0002","15.9338","0.0003","90","","97.6465","0.001","90","","1834.54","0.09","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H47 Fe I O P2 Pd -","- C39 H47 Fe I O P2 Pd -","- C78 H94 Fe2 I2 O2 P4 Pd2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062078","8.7758","0.0002","15.2258","0.0002","12.0242","0.0002","90","","98.2476","0.0003","90","","1590.04","0.03","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H30 Cl2 I2 P2 Pd -","- C29 H30 Cl2 I2 P2 Pd -","- C58 H60 Cl4 I4 P4 Pd2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062081","10.5573","0.0007","18.1364","0.0011","19.6534","0.0012","90","","103.71","0.001","90","","3655.8","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H56 P4 Pd -","- C36 H56 P4 Pd -","- C144 H224 P16 Pd4 -","4","2","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062082","9.9491","0.0008","22.4313","0.0019","16.2199","0.0014","90","","97.677","0.002","90","","3587.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H38 P2 Pd -","- C42 H38 P2 Pd -","- C168 H152 P8 Pd4 -","4","2","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062109","12.4777","0.0005","14.8627","0.0006","18.4151","0.0008","90","","95.101","0.002","90","","3401.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H40 O3 P2 Pd -","- C39 H40 O3 P2 Pd -","- C156 H160 O12 P8 Pd4 -","4","2","","Portscheller, Janelle L.; Lilly, Sara E.; Malinakova, Helena C.","Ligand-Controlled Asymmetric Induction at a Transition Metal-Bonded α-Carbon in Ester and Amide Enolates. Diastereoselective Formation of Oxapalladacycles Applied to the Synthesis of a Chiral Nonracemic 2H-1-Benzopyran.","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062111","12.505","0.002","15.839","0.003","17.342","0.003","90","","90.113","0.001","90","","3434.9","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Zr(eta5-Ind){C(NMe2)N(2,6-Me2Ph)}2Cl]","","","- C62 H74 Cl2 N8 Zr2 -","- C62 H74 Cl2 N8 Zr2 -","- C124 H148 Cl4 N16 Zr4 -","2","1","","Martins, Ana M.; Ascenso, José R.; de Azevedo, Cristina G.; Dias, Alberto R.; Duarte, M. Teresa; da Silva, João F.; Veiros, Luís F.; Rodrigues, Sandra S.","Insertion of Isocyanides into Group 4 Metal-Carbon and Metal-Nitrogen Bonds. Syntheses and DFT Calculations","Organometallics","2003","22","21","4218","4228","10.1021/om030211n","","","","","","","","","","","","","","","","","","","","","has coordinates","192081","2020-10-21","18:00:00",""
"4062132","10.294","0.002","12.522","0.009","10.703","0.005","90","","92.93","0.03","90","","1377.9","1.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H48 Cr N4 Si3 -","- C19 H48 Cr N4 Si3 -","- C38 H96 Cr2 N8 Si6 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062154","12.238","0.007","11.229","0.006","22.877","0.013","90","","101.244","0.011","90","","3083","3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H29 Br2 N2 Ni O2 P -","- C30 H26 Br2 N2 Ni O P -","- C120 H104 Br8 N8 Ni4 O4 P4 -","4","2","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062227","8.0741","0.0009","15.1392","0.0017","9.0313","0.001","90","","104.613","0.002","90","","1068.2","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H29 Cl N O2 P Ru -","- C18 H29 Cl N O2 P Ru -","- C36 H58 Cl2 N2 O4 P2 Ru2 -","2","1","","Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium","Organometallics","2003","22","","3927","","10.1021/om030386x","","","","","","","","","","","","","","","","","","","","","has coordinates","178518","2020-10-21","18:00:00",""
"4062310","7.6864","0.0004","16.4353","0.0008","13.9744","0.0006","90","","102.373","0.003","90","","1724.36","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 B Cl Fe O2 -","- C18 H20 B Cl Fe O2 -","- C72 H80 B4 Cl4 Fe4 O8 -","4","2","","Coombs, Deborah L.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Influence of Ligand Steric Bulk in the Synthesis of Transition-Metal Borylene Complexes","Organometallics","2003","22","21","4213","4217","10.1021/om030489f","","","","","","","","","","","","","","","","","","","","","has coordinates","192080","2020-10-21","18:00:00",""
"4062455","7.7279","0.0003","14.1402","0.0006","8.3068","0.0004","90","","92.156","0.001","90","","907.08","0.07","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 O3 Re -","- C23 H17 O3 Re -","- C46 H34 O6 Re2 -","2","1","","Chin, Robert M.; Baird, Benjamin; Jarosh, Michael; Rassman, Shane; Barry, Brian; Jones, William D.","Synthesis, Characterization, and Reactivity of a Rhenium Complex with a Corannulene-Based Ligand","Organometallics","2003","22","23","4829","4832","10.1021/om034111t","","","","","","","","","","","","","","","","","","","","","has coordinates","192128","2020-10-21","18:00:00",""
"4062516","9.014","0.002","18.608","0.003","10.06","0.002","90","","100.676","0.017","90","","1658.2","0.6","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H32 B9 Cl5 P Rh S -","- C23 H32 B9 Cl5 P Rh S -","- C46 H64 B18 Cl10 P2 Rh2 S2 -","2","1","","Núñez, Rosario; Tutusaus, Oscar; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","Formation of new η^5^-Rh(III) complexes from η^5^-Rh(I) rhodacarborane containing charge-compebsated ligands.","Organometallics","2004","23","10","2273","2280","10.1021/om030635h","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4062578","11.802","0.005","12.635","0.007","13.92","0.007","90","","102.28","0.04","90","","2028","1","293.2","","293.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H44 Cl2 Fe2 O2 P2 Si2 -","- C41 H44 Cl2 Fe2 O2 P2 Si2 -","- C82 H88 Cl4 Fe4 O4 P4 Si4 -","2","1","","Masaaki Okazaki; Kazuyuki Satoh; Kyeong A. Jung; Hiromi Tobita; Hiroshi Ogino","","Organometallics","2004","23","9","1971","1973","10.1021/om034264g","","","","","","","0.0469","","","0.0669","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062580","9.8271","0.0012","13.32","0.0013","18.497","0.003","90","","100.183","0.018","90","","2383","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.5 H24.5 N3.5 V -","- C24.388 H24.388 N3.484 V0.871 -","- C97.552 H97.552 N13.936 V3.484 -","4","2","","Lorber, Cristian; Choukroun, Robert; Vendier, Laure","Hydroamination of Alkynes Catalyzed by Imido Complexes of Titanium and Vanadium","Organometallics","2004","23","8","1845","1850","10.1021/om0342762","","","","","","","","","","","","","","","","","","","","","has coordinates","208949","2020-10-21","18:00:00",""
"4062588","6.191","0.007","10.431","0.012","8.407","0.01","90","","99.59","0.02","90","","535.3","1.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 N3 O2 P -","- C9 H16 N3 O2 P -","- C18 H32 N6 O4 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062597","8.1218","0.0019","9.775","0.002","12.661","0.003","90","","93.735","0.004","90","","1003","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 Pd -","- C22 H25 Cl N2 Pd -","- C44 H50 Cl2 N4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062691","13.057","0.001","16.587","0.002","15.045","0.002","90","","103.82","0.01","90","","3164.1","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H49 Cl15 N O7 P Ru2 -","- C55 H49 Cl15 N O7 P Ru2 -","- C110 H98 Cl30 N2 O14 P2 Ru4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049453t","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062788","11.3415","0.001","16.9947","0.0014","15.1263","0.0013","90","0.002","100.175","0.002","90","0.002","2869.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(MeO-MOP)]2(BF4)2","","","- C66 H50 B2 F8 O2 P2 Pd2 -","- C66 H50 B2 F8 O2 P2 Pd2 -","- C132 H100 B4 F16 O4 P4 Pd4 -","2","1","","Pascal Dotta; P.G. Anil Kumar; Paul S. Pregosin; Alberto Albinati; Silvia Rizzato","","Organometallics","2004","","","","","10.1021/om0496535","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4063001","9.2842","0.0005","20.3819","0.0011","21.5571","0.0012","90","","95.904","0.001","90","","4057.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H58 Fe I2 P2 Pd -","- C33 H49 Fe I2 P2 Pd -","- C132 H196 Fe4 I8 P8 Pd4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049818+","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063002","13.8643","0.0014","11.1226","0.001","13.9734","0.0014","90","","106.541","0.002","90","","2065.6","0.3","218","2","218","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H46 Cl3 Fe I2 P2 Pd -","- C37 H49 Cl3 Fe I2 P2 Pd -","- C74 H98 Cl6 Fe2 I4 P4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049818+","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063045","13.0617","0.0002","11.3621","0.0002","13.6659","0.0002","90","","90.5678","0.0012","90","","2028.08","0.06","150","1","150","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H41 Cl5 N4 O2 P Rh S -","- C39 H41 Cl5 N4 O2 P Rh S -","- C78 H82 Cl10 N8 O4 P2 Rh2 S2 -","2","1","","Koshevoy, Igor O.; Tunik, Sergey P.; Poë, Anthony J.; Lough, Alan; Pursiainen, Jouni; Pirilä, Päivi","A chiral bis(oxazoline) phosphine with a rigid backbone: ligand synthesis and characterization of products obtained in highly diastereoselective reactions with a rhodium(I) complex and a tetrahedral ""RhRu~3~"" cluster","Organometallics","2004","23","11","2641","2650","10.1021/om0498450","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063046","13.0819","0.0004","37.6066","0.001","13.1271","0.0003","90","","110.002","0.0012","90","","6068.5","0.3","150","1","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C53 H51 N4 O10 P Rh Ru3 S -","- C50 H44 N4 O10 P Rh Ru3 S -","- C200 H176 N16 O40 P4 Rh4 Ru12 S4 -","4","2","","Koshevoy, Igor O.; Tunik, Sergey P.; Poë, Anthony J.; Lough, Alan; Pursiainen, Jouni; Pirilä, Päivi","A chiral bis(oxazoline) phosphine with a rigid backbone: ligand synthesis and characterization of products obtained in highly diastereoselective reactions with a rhodium(I) complex and a tetrahedral ""RhRu~3~"" cluster","Organometallics","2004","23","11","2641","2650","10.1021/om0498450","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4063071","9.072","0.0014","8.4415","0.0013","14.682","0.002","90","","98.6","0.002","90","","1111.8","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N3 Yb -","- C23 H30 N3 Yb -","- C46 H60 N6 Yb2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063090","9.4018","0.0004","17.0468","0.0007","10.3502","0.0004","90","","99.615","0.001","90","","1635.53","0.12","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H46 B10 O4 Si Yb -","- C24 H44 B10 O4 Si Yb -","- C48 H88 B20 O8 Si2 Yb2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063110","11.5599","0.0014","24.807","0.003","18.429","0.002","90","","96.331","0.003","90","","5252.7","1.1","101","2","101","2","","","","","","","","9","P 1 21 1","P 2yb","4","[RuClI(PCP)]","","","- C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru -","- C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru -","- C212 H204 Cl8 Fe8 I4 N8 O2 P8 Ru4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049893k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063152","8.5541","0.0017","34.531","0.007","9.798","0.002","90","","112.53","0.03","90","","2673.2","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H66 N8 O6 Si4 -","- C52 H66 N8 O6 Si4 -","- C104 H132 N16 O12 Si8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0499299","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063169","6.276","0.003","10.223","0.005","9.694","0.005","90","","100.407","0.012","90","","611.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","isonicotinoyl pentaerythritol phosphite","","","- C11 H12 N O5 P -","- C11 H12 N O5 P -","- C22 H24 N2 O10 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049957r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063230","8.4912","0.0005","14.1404","0.0008","10.301","0.0006","90","","104.93","0.001","90","","1195.08","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cp*2Ir2H(C4H3NMe)","","","- C25 H37 Ir2 N -","- C25 H37 Ir2 N -","- C50 H74 Ir4 N2 -","2","1","","David A. Vicic; William D. Jones","Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex","Organometallics","1999","18","","134","138","10.1021/om9808007","","","0.71073","MoKα","","0.0456","0.0398","","0.092","0.0898","","","","1.011","1.096","1.096","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063238","9.9059","0.0018","22.193","0.004","13.832","0.002","90","","100.521","0.003","90","","2989.7","0.9","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Mn Mo2 O4 P -","- C32 H40 Mn Mo2 O4 P -","- C128 H160 Mn4 Mo8 O16 P4 -","4","2","","Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Alberto Ramos; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio","Reactivity of the Unsaturated Hydride [Mo2(5η-C5H5)2(μ-H)(μ-PCy2)(CO)2] toward 17- and 16-Electron Metal Carbonyl Fragments: Rational Synthesis of Electron-Deficient Heterometallic Clusters","Organometallics","2007","26","","321","331","10.1021/om060826v","","x-ray","0.71073","MoKα","","0.0886","0.0444","","","0.0644","0.0776","","","","","","1.115","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063272","12.1107","0.0007","11.2973","0.0006","14.1304","0.0009","90","","109.87","0.007","90","","1818.2","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H40 Ti -","- C48 H40 Ti -","- C96 H80 Ti2 -","2","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0591","0.0416","","","0.0867","0.0917","","","","","","0.913","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063303","13.643","0.003","9.749","0.005","16.924","0.005","90","","112.97","0.02","90","","2072.4","1.2","293","2","293","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C36 H36 Cl2 Mo O3 P2 S2 W -","- C36 H36 Cl2 Mo O3 P2 S2 W -","- C72 H72 Cl4 Mo2 O6 P4 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0422","0.0336","","","0.0802","0.0839","","","","","","1.033","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063333","8.7568","0.0009","17.2784","0.0017","9.5484","0.001","90","","104.529","0.002","90","","1398.5","0.2","153","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 O4 P2 -","- C30 H36 O4 P2 -","- C60 H72 O8 P4 -","2","1","","Xianghua Yu; Tobin J. Marks","Organophosphine Oxide/Sulfide-Substituted Lanthanide Binaphtholate Catalysts for Enantioselective Hydroamination/Cyclization","Organometallics","2007","26","","365","376","10.1021/om0607999","","","0.71073","MoKα","","0.0695","0.0508","","","0.1241","0.1369","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063349","12.697","0.003","16.784","0.004","15.897","0.004","90","","91.2","0.003","90","","3387","1.4","123.1","","123.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H49 B F24 P2 Ru -","- C72 H49 B F24 P2 Ru -","- C144 H98 B2 F48 P4 Ru2 -","2","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0505","","","","0.1119","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063384","9.1799","0.0003","18.3635","0.0006","15.4817","0.0005","90","","90.148","0.002","90","","2609.82","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tris[2-((dimethylamino)methyl)phenyl]bismuthane","","- C27 H36 Bi N3 -","- C27 H36 Bi N3 -","- C108 H144 Bi4 N12 -","4","2","","Schulz, Axel; Villinger, Alexander","Mono- and Diazides of Bismuth","Organometallics","2011","30","2","284","289","10.1021/om1009796","","","0.71073","MoKα","","0.0426","0.0256","","","0.0482","0.0513","","","","","","0.916","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063394","9.4966","0.0002","10.3904","0.0002","10.4713","0.0003","90","","108.894","0.002","90","","977.57","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","1'-carboxylic acid methylester-1'''-carboxylic acid azide biferrocene","1'-carboxylic acid methylester-1'''-carboxylic acid azide biferrocene","","- C23 H19 Fe2 N3 O3 -","- C23 H19 Fe2 N3 O3 -","- C46 H38 Fe4 N6 O6 -","2","1","","Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja","Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry","Organometallics","2011","30","2","313","327","10.1021/om1010808","","","0.71073","MoKα","","0.0562","0.0329","","","0.0713","0.0797","","","","","","0.924","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063464","9.8103","0.0001","14.133","0.0001","10.4642","0.0001","90","","114.253","0.001","90","","1322.8","0.02","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl P2 Ru -","- C31 H29 Cl P2 Ru -","- C62 H58 Cl2 P4 Ru2 -","2","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of 16-Electron Half-Sandwich Intermediates [CpRu(P−P)]+with P−P Ligands Forming Four- to Six-Membered Chelate Rings","Organometallics","2010","29","2","428","","10.1021/om900830a","","x-ray","1.54184","CuKα","","0.0221","0.0209","","","0.0498","0.0501","","","","","","1.051","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063465","19.9397","0.0014","15.6337","0.0011","9.4492","0.0006","90","","100.283","0.008","90","","2898.3","0.3","123","","123","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C33 H33 I P2 Ru -","- C33 H33 I P2 Ru -","- C132 H132 I4 P8 Ru4 -","4","2","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of 16-Electron Half-Sandwich Intermediates [CpRu(P−P)]+with P−P Ligands Forming Four- to Six-Membered Chelate Rings","Organometallics","2010","29","2","428","","10.1021/om900830a","","","0.71073","MoKα","","0.0389","0.0303","","","0.0607","0.062","","","","","","0.904","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063466","9.4481","0.0001","15.6928","0.0001","20.0147","0.0002","90","","100.282","0.001","90","","2919.87","0.05","110","","110","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C66 H66 I2 P4 Ru2 -","- C33 H33 I P2 Ru -","- C132 H132 I4 P8 Ru4 -","4","2","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of 16-Electron Half-Sandwich Intermediates [CpRu(P−P)]+ with P−P Ligands Forming Four- to Six-Membered Chelate Rings","Organometallics","2010","29","2","428","","10.1021/om900830a","","x-ray","1.54184","CuKα","","0.0356","0.033","","","0.0838","0.0854","","","","","","1.004","","","","has coordinates","189815","2020-10-21","18:00:00",""
"4063467","9.4176","0.0002","15.3229","0.0003","19.8384","0.0004","90","","99.227","0.002","90","","2825.74","0.1","110","","110","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C66 H66 Cl2 P4 Ru2 -","- C33 H33 Cl P2 Ru -","- C132 H132 Cl4 P8 Ru4 -","4","2","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of 16-Electron Half-Sandwich Intermediates [CpRu(P−P)]+ with P−P Ligands Forming Four- to Six-Membered Chelate Rings","Organometallics","2010","29","2","428","","10.1021/om900830a","","x-ray","1.54184","CuKα","","0.0539","0.0423","","","0.1039","0.1093","","","","","","1.039","","","","has coordinates","189815","2020-10-21","18:00:00",""
"4063485","11.7707","0.001","14.8558","0.001","15.7168","0.001","90","","99.1439","0.001","90","","2713.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H52 Cl8 O5 P2 Pd -","- C55 H52 Cl8 O5 P2 Pd -","- C110 H104 Cl16 O10 P4 Pd2 -","2","1","","Robert, Tobias; Abiri, Zohar; Wassenaar, Jeroen; Sandee, Albertus J.; Romanski, Steffen; Neudörfl, Jörg-Martin; Schmalz, Hans-Günther; Reek, Joost N. H.","Asymmetric Hydroformylation Using Taddol-Based Chiral Phosphine−Phosphite Ligands","Organometallics","2010","29","2","478","483","10.1021/om9009735","","","0.71073","MoKα","","0.071","0.0455","","","0.0857","0.103","","","","","","0.969","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063487","10.3218","0.0016","12.557","0.002","10.3342","0.0016","90","","98.259","0.002","90","","1325.5","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C19 H25 Al Cl4 Fe2 N O3 P -","- C19 H25 Al Cl4 Fe2 N O3 P -","- C38 H50 Al2 Cl8 Fe4 N2 O6 P2 -","2","1","","Vaheesar, Kandasamy; Bolton, Timothy M.; East, Allan L. L.; Sterenberg, Brian T.","Si‒H Bond Activation by Electrophilic Phosphinidene Complexes","Organometallics","2010","29","2","484","490","10.1021/om900944v","","","0.71073","MoKα","","0.024","0.0236","","","0.0585","0.0589","","","","","","1.067","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063499","11.48","0.002","12.029","0.002","17.813","0.004","90","","94.975","0.002","90","","2450.6","0.8","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl N P Ru -","- C25 H33 Cl N P Ru -","- C100 H132 Cl4 N4 P4 Ru4 -","4","2","","Ito, Masato; Osaku, Akihide; Kobayashi, Chika; Shiibashi, Akira; Ikariya, Takao","A Convenient Method for the Synthesis of Protic 2-(Tertiary phosphino)-1-amines and Their Cp*RuCl Complexes","Organometallics","2009","28","2","390","393","10.1021/om801042b","","","0.7107","MoKα","","","0.028","","","","0.083","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063500","11.199","0.003","12.837","0.004","17.976","0.005","90","","95.861","0.005","90","","2570.7","1.3","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N P Ru -","- C27 H35 Cl N P Ru -","- C108 H140 Cl4 N4 P4 Ru4 -","4","2","","Ito, Masato; Osaku, Akihide; Kobayashi, Chika; Shiibashi, Akira; Ikariya, Takao","A Convenient Method for the Synthesis of Protic 2-(Tertiary phosphino)-1-amines and Their Cp*RuCl Complexes","Organometallics","2009","28","2","390","393","10.1021/om801042b","","","0.7107","MoKα","","","0.034","","","","0.087","","","","","","0.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063501","9.804","0.009","12.792","0.011","11.427","0.011","90","","110.884","0.012","90","","1339","2","193.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl N P Ru -","- C28 H37 Cl N P Ru -","- C56 H74 Cl2 N2 P2 Ru2 -","2","1","","Ito, Masato; Osaku, Akihide; Kobayashi, Chika; Shiibashi, Akira; Ikariya, Takao","A Convenient Method for the Synthesis of Protic 2-(Tertiary phosphino)-1-amines and Their Cp*RuCl Complexes","Organometallics","2009","28","2","390","393","10.1021/om801042b","","","0.7107","MoKα","","","0.0531","","","","0.1353","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063530","9.7222","0.0005","32.6857","0.0014","10.6449","0.0005","90","","113.619","0.001","90","","3099.3","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H34 F3 N O4 P Rh S2 -","- C31 H34 F3 N O4 P Rh S2 -","- C124 H136 F12 N4 O16 P4 Rh4 S8 -","4","2","","Achard, Thierry; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide Ligands: Synthesis, Structure, and Coordination Modes","Organometallics","2009","28","2","480","487","10.1021/om8006823","","","0.71073","MoKα","","0.027","0.0262","","","0.066","0.0664","","","","","","1.103","","","","has coordinates","209983","2020-10-21","18:00:00",""
"4063621","15.05386","0.00013","10.7824","0.00011","18.98963","0.00016","90","","94.3659","0.0008","90","","3073.39","0.05","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl3 Fe P2 -","- C33 H33 Cl3 Fe P2 -","- C132 H132 Cl12 Fe4 P8 -","4","2","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0501","0.0435","","","0.1033","0.1098","","","","","","1.072","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063622","8.5056","0.0002","15.0338","0.0004","10.9136","0.0002","90","","93.126","0.002","90","","1393.46","0.06","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C32 H31 Fe I P2 -","- C32 H31 Fe I P2 -","- C64 H62 Fe2 I2 P4 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0446","0.0374","","","0.0951","0.1025","","","","","","1.061","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063623","11.42524","0.00017","11.1501","0.0002","12.5399","0.0002","90","","96.0172","0.0016","90","","1588.69","0.05","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl2 Fe I P2 -","- C33 H33 Cl2 Fe I P2 -","- C66 H66 Cl4 Fe2 I2 P4 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0964","0.0824","","","0.1947","0.2016","","","","","","1.017","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063624","13.09737","0.00013","11.6272","0.00012","17.82324","0.00016","90","","99.2596","0.0009","90","","2678.86","0.05","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C33 H31 Fe N P2 -","- C33 H31 Fe N P2 -","- C132 H124 Fe4 N4 P8 -","4","2","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0672","0.0544","","","0.134","0.1449","","","","","","1.057","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063625","14.9125","0.0002","11.0492","0.0002","18.8918","0.0003","90","","93.825","0.001","90","","3105.89","0.09","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 Fe N P2 -","- C34 H33 Cl2 Fe N P2 -","- C136 H132 Cl8 Fe4 N4 P8 -","4","2","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0882","0.0472","","","0.0642","0.0689","","","","","","0.972","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063627","11.4521","0.00019","22.1285","0.0003","13.6647","0.00018","90","","90.8993","0.0014","90","","3462.45","0.09","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C76 H74 Fe2 I2 O4 P4 -","- C76 H72 Fe2 I2 O3 P4 -","- C152 H144 Fe4 I4 O6 P8 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.5418","CuKα","","0.0451","0.0416","","","0.0979","0.0994","","","","","","1.051","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063644","9.872","0.0003","16.338","0.0004","11.957","0.0006","90","","109.77","0.003","90","","1814.86","0.12","233","2","233","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H42 Co O4 P S Si -","- C40 H42 Co O4 P S Si -","- C80 H84 Co2 O8 P2 S2 Si2 -","2","1","","O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L.","Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes","Organometallics","2011","30","3","369","","10.1021/om1007314","","","0.71073","MoKα","","0.0686","0.0473","","","0.1102","0.1384","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063672","13.503","0.0005","12.297","0.0004","15.103","0.0006","90","","113.286","0.002","90","","2303.52","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H56 B Fe O P Ru -","- C58 H56 B Fe O P Ru -","- C116 H112 B2 Fe2 O2 P2 Ru2 -","2","1","","Torres, Javier; Sepúlveda, Francisco; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mucientes, Antonio E.; Peña, M. Angeles de la","Ruthenium Arene Derivatives of Chiral Ferrocene-Based P,N or P,O Ligands. Transformation of Chloro‒Alcohol into Hydrido‒Carbonyl Complexes","Organometallics","2011","30","13","3490","","10.1021/om1008132","","","0.71073","MoKα","","0.0509","0.0413","","","0.0713","0.0754","","","","","","1.022","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063690","8.369","0.001","30.25","0.001","12.931","0.001","90","","90.7","0.001","90","","3273.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36.5 H41 Cl P2 Ru -","- C36.5 H41 Cl P2 Ru -","- C146 H164 Cl4 P8 Ru4 -","4","2","","Carmichael, Duncan; Klankermayer, Jürgen; Muller, Eric; Pietrusiewicz, K. Michal; Ricard, Louis; Seeboth, Nicolas; Sowa, Sylwia; Stankevič, Marek","Synthesis and Evaluation of Side-Arm-Alkylated Phosphametallocene Phosphines","Organometallics","2011","30","7","1804","","10.1021/om100845p","","","0.71069","MoKα","","0.0343","0.0295","","","0.061","0.0626","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063691","11.423","0.002","15.391","0.003","11.902","0.002","90","","94.632","0.003","90","","2085.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H45 Br Cl6 P2 Pt -","- C38 H45 Br Cl6 P2 Pt -","- C76 H90 Br2 Cl12 P4 Pt2 -","2","1","","Zuzek, Ashley A.; Reynolds, Samantha C.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structure of Gold and Platinum Menthyl Complexes","Organometallics","2011","30","7","1812","","10.1021/om1008555","","","0.71073","MoKα","","0.0232","0.0221","","","0.0525","0.0532","","","","","","0.754","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063715","8.6106","0.0013","16.235","0.002","9.8012","0.0013","90","","92.359","0.002","90","","1369","0.3","113.1","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Pt S Si4 -","- C22 H38 Pt S Si4 -","- C44 H76 Pt2 S2 Si8 -","2","1","","Tsutsumi, Hironori; Sunada, Yusuke; Nagashima, Hideo","Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands: Preparation, Characterization, and Mechanistic Consideration of Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes","Organometallics","2011","30","1","68","","10.1021/om100867f","","","0.7107","MoKα","","","0.0276","","","","0.0759","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063716","10.045","0.004","33.746","0.012","10.429","0.004","90","","98.6","0.005","90","","3495","2","113.1","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H56 Pt S2 Si4 -","- C31 H44 Pt S2 Si4 -","- C124 H176 Pt4 S8 Si16 -","4","2","","Tsutsumi, Hironori; Sunada, Yusuke; Nagashima, Hideo","Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands: Preparation, Characterization, and Mechanistic Consideration of Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes","Organometallics","2011","30","1","68","","10.1021/om100867f","","","0.7107","MoKα","","","0.0266","","","","0.0656","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063778","10.979","0.002","31.676","0.006","15.769","0.003","90","","109.07","0.03","90","","5183","1.9","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H78 Ba I N3 O5 -","- C50 H78 Ba I N3 O5 -","- C200 H312 Ba4 I4 N12 O20 -","4","2","","Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.","2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis","Organometallics","2011","30","6","1404","","10.1021/om100937c","","","0.71073","MoKα","","0.0428","0.0397","","","0.0979","0.0992","","","","","","1.01","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063789","9.9272","0.0002","14.8544","0.0005","10.7168","0.0003","90","","104.707","0.002","90","","1528.55","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H40 Cl N2 O P Pd -","- C32 H40 Cl N2 O P Pd -","- C64 H80 Cl2 N4 O2 P2 Pd2 -","2","1","","Ayora, Isabel; Ceder, Rosa M.; Espinel, Mauricio; Muller, Guillermo; Rocamora, Mercè; Serrano, Marta","Modular Approach to New Chiral Monodentate Diamidophosphite Ligands. Application in Palladium-Catalyzed Asymmetric Hydrovinylation of Styrene","Organometallics","2011","30","1","115","","10.1021/om100946a","","","0.71073","MoKα","","0.0333","0.0293","","","0.0609","0.0629","","","","","","1.032","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063805","10.2209","0.0006","15.4745","0.0006","10.1157","0.0006","90","","114.872","0.007","90","","1451.54","0.16","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Ethyl-2,2,6,6-pentamethylpiperidinium","","- C29 H25 B F15 N -","- C29 H25 B F15 N -","- C58 H50 B2 F30 N2 -","2","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.0387","0.0356","","","0.1002","0.1018","","","","","","1.07","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063815","11.8983","0.0002","11.6015","0.0001","15.6181","0.0002","90","","96.614","0.006","90","","2141.55","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H53 Cl5 N4 O4 Pt -","- C41 H53 Cl5 N4 O4 Pt -","- C82 H106 Cl10 N8 O8 Pt2 -","2","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71073","MoKα","","0.0216","0.0177","","","0.0347","0.0359","","","","","","0.962","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063848","7.7917","0.0002","15.8875","0.0002","11.1735","0.0002","90","","109.398","0.002","90","","1304.66","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","iridium","","- C25 H36 Cl Ir O3 P2 -","- C25 H36 Cl Ir O3 P2 -","- C50 H72 Cl2 Ir2 O6 P4 -","2","1","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.032","0.0308","","","0.0747","0.0757","","","","","","1.045","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063934","11.415","0.002","21.724","0.004","12.806","0.003","90","","100.03","0.03","90","","3127.1","1.1","96","2","96","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H106 Mg N11 O3 P3 Si2 -","- C48 H106 Mg N11 O3 P3 Si2 -","- C96 H212 Mg2 N22 O6 P6 Si4 -","2","1","","Torvisco, Ana; Ruhlandt-Senge, Karin","Ligand and Coligand Effects on Ion Association in Magnesium Amides","Organometallics","2011","30","5","986","","10.1021/om101045b","","","0.71073","MoKα","","0.0653","0.057","","","0.1311","0.1354","","","","","","1.077","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064007","11.9361","0.0007","15.1004","0.0009","12.6209","0.0008","90","","97.846","0.002","90","","2253.5","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39.5 H50 Cl2 N2 O0.5 P Pd Pt -","- C39.5 H50 Cl2 N2 O0.5 P Pd Pt -","- C79 H100 Cl4 N4 O P2 Pd2 Pt2 -","2","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0908","0.0549","","","0.1435","0.1816","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064009","9.4113","0.0003","19.085","0.0006","11.0368","0.0003","90","","105.781","0.001","90","","1907.65","0.1","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl N2 O P Pd Pt -","- C42 H48 Cl N2 O P Pd Pt -","- C84 H96 Cl2 N4 O2 P2 Pd2 Pt2 -","2","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0447","0.036","","","0.0753","0.0945","","","","","","1.009","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064012","9.7661","0.0004","19.072","0.0007","10.6031","0.0004","90","","103.175","0.002","90","","1922.94","0.13","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl N2 O P Pd Pt -","- C42 H48 Cl N2 O P Pd Pt -","- C84 H96 Cl2 N4 O2 P2 Pd2 Pt2 -","2","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0243","0.0205","","","0.0498","0.0891","","","","","","1.061","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064028","13.116","","10.45","","18.204","","90","","95.81","","90","","2482.26","","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","COMPOUND 3a","","","- C80 H0 Cl0 F24 Ge4 O2 P4 -","- C120 H102 Cl2 Ge8 -","- C120 H102 Cl2 Ge8 -","1","0.5","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0806","0.0628","","","0.1453","0.1712","","","","","","1.056","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064037","8.467","0.003","17.036","0.006","12.359","0.005","90","","105.46","0.0016","90","","1718.2","1.1","293.1","","293.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H34 Cl8 Ru2 S Sb2 -","- C22 H34 Cl8 Ru2 S Sb2 -","- C44 H68 Cl16 Ru4 S2 Sb4 -","2","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.032","","","","0.105","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064040","10.7857","0.0005","15.5435","0.0007","11.9546","0.0006","90","","95.17","0.001","90","","1996.01","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H58 N3 O2 Si2 Ta -","- C38 H58 N3 O2 Si2 Ta -","- C76 H116 N6 O4 Si4 Ta2 -","2","1","","Reznichenko, Alexander L.; Emge, Thomas J.; Audörsch, Stephan; Klauber, Eric G.; Hultzsch, Kai C.; Schmidt, Bernd","Group 5 Metal Binaphtholate Complexes for Catalytic Asymmetric Hydroaminoalkylation and Hydroamination/Cyclization","Organometallics","2011","30","5","921","","10.1021/om1011006","","","0.71073","MoKα","","0.0165","0.0161","","","0.0386","0.0388","","","","","","1.017","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064041","10.7656","0.0007","15.5456","0.001","11.9463","0.0008","90","","95.076","0.001","90","","1991.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H58 N3 Nb O2 Si2 -","- C38 H58 N3 Nb O2 Si2 -","- C76 H116 N6 Nb2 O4 Si4 -","2","1","","Reznichenko, Alexander L.; Emge, Thomas J.; Audörsch, Stephan; Klauber, Eric G.; Hultzsch, Kai C.; Schmidt, Bernd","Group 5 Metal Binaphtholate Complexes for Catalytic Asymmetric Hydroaminoalkylation and Hydroamination/Cyclization","Organometallics","2011","30","5","921","","10.1021/om1011006","","","0.71073","MoKα","","0.0254","0.0245","","","0.0599","0.0605","","","","","","1.006","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064106","9.9402","0.0004","16.8374","0.0008","12.8337","0.0006","90","","96.81","0.004","90","","2132.79","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H16 Cl2 N4 O18 Ru6 -","- C29 H16 Cl2 N4 O18 Ru6 -","- C58 H32 Cl4 N8 O36 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.5418","CuKα","","0.0692","0.0598","","","0.1464","0.1537","","","","","","1.088","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064145","7.9365","0.0004","15.8303","0.0007","8.5548","0.0004","90","","99.253","0.004","90","","1060.82","0.09","150","2","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl2 Hg N2 -","- C21 H24 Cl2 Hg N2 -","- C42 H48 Cl4 Hg2 N4 -","2","1","","Pelz, Simon; Mohr, Fabian","“Oxide Route” for the Preparation of Mercury(II) N-Heterocyclic Carbene Complexes","Organometallics","2011","30","3","383","","10.1021/om101154z","","","0.7107","MoKα","","0.0343","0.0288","","","0.062","0.0631","","","","","","0.98","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064172","8.997","0.0005","16.9143","0.0009","9.8429","0.0005","90","","112.58","0.002","90","","1383.05","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cp*Ti(MeDIPA){OC(O)N(NMePh)C(O)O}","","- C27 H40 N4 O4 Ti -","- C27 H40 N4 O4 Ti -","- C54 H80 N8 O8 Ti2 -","2","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.1142","0.0699","","0.0915","0.058","0.0529","","","","","","1.1081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064238","14.1963","0.0019","16.434","0.002","27.847","0.004","90","","94.117","0.003","90","","6480","1.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C62 H66.5 B9 Cl4 N2 O4.25 P2 Rh -","- C62 H66.5 B9 Cl4 N2 O4.25 P2 Rh -","- C248 H266 B36 Cl16 N8 O17 P8 Rh4 -","4","2","","Alekseev, Leonid S.; Lyubimov, Sergey E.; Dolgushin, Fedor M.; Novikov, Valentin V.; Davankov, Vadim A.; Chizhevsky, Igor T.","New Rhodacarborane−Phosphoramidite Catalyst System for Enantioselective Hydrogenation of Functionalized Olefins and Molecular Structure of the Chiral Catalyst Precursor [3,3-{(S)-PipPhos}2-3-H-1,2-(o-xylylene)-closo-3,1,2-RhC2B9H9]","Organometallics","2011","30","7","1942","","10.1021/om101201e","","","0.71073","MoKα","","0.0708","0.0553","","","0.1199","0.128","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064323","11.4458","0.0003","33.5904","0.0009","11.6845","0.0002","90","","110.341","0.001","90","","4212.19","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(IPrAu)2DABMes(PF6)2","","- C75 H98 Au2 Cl2 F12 N6 P2 -","- C75 H98 Au2 Cl2 F12 N6 P2 -","- C150 H196 Au4 Cl4 F24 N12 P4 -","2","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.0845","0.0528","","","0.1196","0.1344","","","","","","1.027","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064359","10.2136","0.0013","13.2695","0.0017","12.6828","0.0015","90","","101.87","0.002","90","","1682.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H54 Fe N4 Si2 -","- C26 H54 Fe N4 Si2 -","- C52 H108 Fe2 N8 Si4 -","2","1","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.0767","0.0508","","","0.0933","0.1016","","","","","","0.876","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064364","10.5725","0.0003","8.6665","0.0003","13.8325","0.0005","90","","98.0335","0.0013","90","","1254.99","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","Cp*Ti(NNPh2)Cl(py)","","- C27 H30 Cl N3 Ti -","- C27 H30 Cl N3 Ti -","- C54 H60 Cl2 N6 Ti2 -","2","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0584","0.0371","","0.0576","0.0409","0.0409","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064464","9.5318","0.0002","14.4071","0.0003","12.5559","0.0002","90","","92.8246","0.0008","90","","1722.15","0.06","100","","100","","","","","","","","LOC ETH Zurich","5","P 1 21 1","P 2yb","4","","","","- C39 H47 O4 P Ru -","- C39 H47 O4 P Ru -","- C78 H94 O8 P2 Ru2 -","2","1","","Jović, Marija; Torker, Sebastian; Chen, Peter","Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts","Organometallics","2011","30","15","3971","","10.1021/om200124z","","","0.71073","MoKα","","0.0404","0.0364","","","0.1009","0.106","","","","","","0.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064468","10.2132","0.0001","20.4615","0.0003","10.8911","0.0002","90","","106.504","0.001","90","","2182.22","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H36 Ag2 F12 N8 O4 P2 -","- C28 H36 Ag2 F12 N8 O4 P2 -","- C56 H72 Ag4 F24 N16 O8 P4 -","2","1","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.0583","0.0545","","","0.1373","0.1403","","","","","","1.037","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064469","12.762","0.002","11.951","0.002","14.504","0.002","90","","99.815","0.006","90","","2179.8","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 F12 N4 O2 P2 -","- C14 H20 F12 N4 O2 P2 -","- C56 H80 F48 N16 O8 P8 -","4","2","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.1044","0.0689","","","0.1483","0.1723","","","","","","1.075","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064470","8.3312","0.0003","12.603","0.0004","9.4992","0.0004","90","","114.071","0.002","90","","910.67","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Au2 Cl2 N4 O2 -","- C14 H18 Au2 Cl2 N4 O2 -","- C28 H36 Au4 Cl4 N8 O4 -","2","1","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.0444","0.0371","","","0.0818","0.0853","","","","","","1.045","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064504","16.9","0.003","10.763","0.002","18.208","0.004","90","","115.731","0.002","90","","2983.5","1","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H30 F6 Ge N2 O2 P Sb -","- C28 H30 F6 Ge N2 O2 P Sb -","- C112 H120 F24 Ge4 N8 O8 P4 Sb4 -","4","2","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0287","0.0269","","","0.0659","0.0668","","","","","","1.072","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064506","10.484","0.002","9.846","0.002","14.752","0.003","90","","91.548","0.003","90","","1522.2","0.5","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H36 F6 N2 O4 Sb -","- C28 H36 F6 N2 O3.5 Sb -","- C56 H72 F12 N4 O7 Sb2 -","2","1","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.079","0.0614","","","0.1565","0.1692","","","","","","1.031","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064557","14.0469","0.0001","9.5035","0.0001","23.4552","0.0001","90","","90.161","0.0002","90","","3131.13","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H38 Au N2 O2 P -","- C36 H38 Au N2 O2 P -","- C144 H152 Au4 N8 O8 P4 -","4","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0159","0.0155","","","0.0333","0.0335","","","","","","1.032","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064564","12.5881","0.0007","15.8811","0.0007","13.1308","0.0005","90","","92.657","0.002","90","","2622.2","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H58 Cl6 N4 O4 Zr2 -","- C48 H58 Cl6 N4 O4 Zr2 -","- C96 H116 Cl12 N8 O8 Zr4 -","2","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0201","0.0173","","","0.0397","0.0407","","","","","","1.042","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064565","13.329","0.0002","12.5854","0.0004","30.1594","0.0005","90","","97.372","0.002","90","","5017.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43.35 H53.35 Cl6 Hf2 N4 O4 -","- C43.35 H53.35 Cl6 Hf2 N4 O4 -","- C173.4 H213.4 Cl24 Hf8 N16 O16 -","4","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0343","0.0311","","","0.0732","0.0755","","","","","","1.068","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064567","16.156","0.0012","16.8883","0.0009","16.4416","0.0008","90","","92.284","0.003","90","","4482.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H46 Cl4 Fe2 N4 O4 -","- C36 H46 Cl4 Fe2 N4 O4 -","- C144 H184 Cl16 Fe8 N16 O16 -","4","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0592","0.0467","","","0.1069","0.1119","","","","","","1.056","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064663","9.1418","0.0004","17.7148","0.0008","9.211","0.0003","90","","109.206","0.002","90","","1408.65","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 I N3 Ni -","- C12 H14 I N3 Ni -","- C48 H56 I4 N12 Ni4 -","4","2","","Oertel, Anna Magdalena; Freudenreich, Julien; Gein, Jordan; Ritleng, Vincent; Veiros, Luis F.; Chetcuti, Michael J.","Intramolecular Nitrile C‒H Bond Activation in Nickel NHC Complexes: A Route to New Nickelacycles","Organometallics","2011","30","12","3400","","10.1021/om200246k","","","0.71073","MoKα","","0.0547","0.0394","","","0.1004","0.1213","","","","","","1.078","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064681","6.6734","0.0002","5.9293","0.0002","22.1276","0.0007","90","","95.854","0.003","90","","870.99","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H18 S4 Si -","- C14 H18 S4 Si -","- C28 H36 S8 Si2 -","2","1","","Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique","Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge","Organometallics","2011","30","13","3570","","10.1021/om200266q","","x-ray","0.71073","MoKα","","0.0297","0.0255","","","0.0633","0.0649","","","","","","1.071","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064732","12.9599","0.0004","16.8199","0.0005","13.9015","0.0006","90","","104.255","0.002","90","","2937","0.18","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H49 Cl9 P4 Pd2 -","- C53 H45 Cl9 P4 Pd2 -","- C106 H90 Cl18 P8 Pd4 -","2","1","","Reitsamer, Christian; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Ellmerer, Ernst P.; Peringer, Paul","The First Carbodiphosphorane Complex with Two Palladium Centers Attached to the CDP Carbon: Assembly of a Single-Stranded di-Pd Helicate by the PCP Pincer ligand C(dppm)2","Organometallics","2011","30","15","4220","","10.1021/om2002975","","","0.71073","MoKα","","0.0691","0.0555","","","0.1382","0.1469","","","","","","1.051","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064880","9.53651","0.00015","17.08203","0.00019","11.01212","0.00016","90","","110.061","0.0017","90","","1685.06","0.04","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C35 H40 Fe I O3 P3 -","- C35 H40 Fe I O3 P3 -","- C70 H80 Fe2 I2 O6 P6 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","1.54184","CuKα","","0.0498","0.0481","","","0.1214","0.1223","","","","","","1.052","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064881","10.169","0.004","16.952","0.005","11.648","0.004","90","","116.418","0.013","90","","1798.3","1.1","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C35 H40 F6 Fe O3 P4 -","- C35 H40 F6 Fe O3 P4 -","- C70 H80 F12 Fe2 O6 P8 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.1052","0.0645","","","0.126","0.1431","","","","","","1.028","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064888","7.3554","0.0003","11.1759","0.0005","12.9896","0.0005","90","","92.167","0.002","90","","1067.02","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ru(Cp*){1,2-C5H3(CO)2-1,2-C5H3)}Fe(Cp)]","[Ru(Cp*){m2-h5:h5-1,2-C5H3(CO)2-1,2-C5H3)}Fe(Cp)]","","- C27 H26 Fe O2 Ru -","- C27 H26 Fe O2 Ru -","- C54 H52 Fe2 O4 Ru2 -","2","1","","Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean","Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones","Organometallics","2011","30","12","3254","","10.1021/om2003915","","","1.54178","CuKα","","0.0667","0.0665","","","0.1958","0.196","","","","","","1.101","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064896","14.87","0.003","10.359","0.002","20.674","0.004","90","","105.36","0.03","90","","3070.8","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H11 Fe2 N O7 Se2 -","- C16 H11 Fe2 N O7 Se2 -","- C96 H66 Fe12 N6 O42 Se12 -","6","3","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0493","0.0359","","","0.0597","0.0653","","","","","","0.996","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064949","12.8532","0.0014","7.4498","0.0008","14.7707","0.0017","90","","90.459","0.002","90","","1414.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H27 Au I N3 -","- C32 H27 Au I N3 -","- C64 H54 Au2 I2 N6 -","2","1","","Wang, Wenfeng; Yang, Jinming; Wang, Feijun; Shi, Min","Axially Chiral N-Heterocyclic Carbene Gold(I) Complex Catalyzed Asymmetric Cycloisomerization of 1,6-Enynes","Organometallics","2011","30","14","3859","","10.1021/om2004404","","","0.71073","MoKα","","0.0499","0.0406","","","0.079","0.0824","","","","","","0.904","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064956","9.1292","0.0005","13.8932","0.0008","9.5412","0.0006","90","","109.756","0.001","90","","1138.92","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","jonsk32","(dippe)Pt(COMe)(SEt)","","- C18 H40 O P2 Pt S -","- C18 H40 O P2 Pt S -","- C36 H80 O2 P4 Pt2 S2 -","2","1","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.0344","0.028","","","0.0553","0.0577","","","","","","1.006","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064968","12.9357","0.0011","11.9801","0.0012","13.075","0.0011","90","","100.862","0.002","90","","1989.9","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H48 Cl3 I N O4 P Pd -","- C37 H48 Cl3 I N O4 P Pd -","- C74 H96 Cl6 I2 N2 O8 P2 Pd2 -","2","1","","Vicente, José; Saura-Llamas, Isabel; Oliva-Madrid, María-José; García-López, José-Antonio; Bautista, Delia","A New Method for High-Yield Cyclopalladation of Primary and Secondary Amines. Atom-Efficient Open-to-Air Inexpensive Synthesis of Buchwald-Type Precatalysts","Organometallics","2011","30","17","4624","","10.1021/om200464s","","","0.71073","MoKα","","0.0449","0.0422","","","0.09","0.0911","","","","","","1.097","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064974","8.1576","0.0005","18.6367","0.0009","10.1442","0.0007","90","","91.002","0.006","90","","1541.99","0.16","296","","296","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H23 Cl2 N7 O2 Ru S -","- C31 H23 Cl2 N7 O2 Ru S -","- C62 H46 Cl4 N14 O4 Ru2 S2 -","2","1","","Günnaz, Salih; Özdemir, Namık; Dayan, Serkan; Dayan, Osman; Çetinkaya, Bekir","Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (′N ͡N ͡N′) and Bidentate Diamine Ligands (N ͡N′): as Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2011","30","15","4165","","10.1021/om200470p","","","0.71073","MoKα","","0.1605","0.0876","","","0.1568","0.1783","","","","","","1.121","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064975","8.3674","0.0002","16.1181","0.0003","10.4014","0.0003","90","","106.616","0.002","90","","1344.22","0.06","296","","296","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl2 N7 O3 Ru S -","- C23 H21 Cl2 N7 O3 Ru S -","- C46 H42 Cl4 N14 O6 Ru2 S2 -","2","1","","Günnaz, Salih; Özdemir, Namık; Dayan, Serkan; Dayan, Osman; Çetinkaya, Bekir","Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (′N ͡N ͡N′) and Bidentate Diamine Ligands (N ͡N′): as Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2011","30","15","4165","","10.1021/om200470p","","","0.71073","MoKα","","0.0339","0.0291","","","0.062","0.0632","","","","","","1.012","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065022","13.3764","0.0005","34.9788","0.0012","13.1827","0.0005","90","","102.833","0.002","90","","6014","0.4","118","2","118","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H64 N2 P2 Pt -","- C69 H62.5 N2 P2 Pt0.98005 -","- C276 H250 N8 P8 Pt3.9202 -","4","2","","Vaughan, Teresa F.; Koedyk, David J.; Spencer, John L.","Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes with Iminophosphine and Phosphinocarbonyl Ligands","Organometallics","2011","30","19","5170","","10.1021/om2005113","","","0.71073","MoKα","","0.0673","0.0497","","","0.0891","0.0938","","","","","","1.099","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065076","10.2558","0.0011","20.195","0.002","10.8602","0.0011","90","","94.588","0.002","90","","2242.1","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H67 K N2 O2 P2 -","- C53 H67 K N2 O2 P2 -","- C106 H134 K2 N4 O4 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","0.71073","MoKα","","0.0293","0.0286","","","0.0736","0.0741","","","","","","1.06","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065085","9.1951","0.0014","9.7544","0.0014","12.6054","0.0019","90","","96.612","0.002","90","","1123.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1393 rs [PdCl~2~((R,S~Fc~)-6)].CHCl~3~","Dichloro[(R,S~p~)-1-(4,5-dihydrooxazol-2-yl)-2-[1-(N,N-dimethylamino)ethyl]- ferrocene-N,P]palladium chloroform solvate","","- C18 H23 Cl5 Fe N2 O Pd -","- C18 H23 Cl5 Fe N2 O Pd -","- C36 H46 Cl10 Fe2 N4 O2 Pd2 -","2","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0375","0.0348","","","0.0821","0.0834","","","","","","1.051","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065086","12.171","0.0003","10.8958","0.0002","13.1311","0.0003","90","","102.759","0.001","90","","1698.35","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","1455 rasc457 [PdCl~2~((4S,1'R,R~Fc~)-19)].CHCl~3~","Dichloro[(4S,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl)-1- [1-(diphenylphosphino)ethyl]-ferrocene-N,P]palladium chloroform solvate","","- C34 H31 Cl5 Fe N O P Pd -","- C34 H31 Cl5 Fe N O P Pd -","- C68 H62 Cl10 Fe2 N2 O2 P2 Pd2 -","2","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0247","0.023","","","0.0541","0.0549","","","","","","1.039","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065087","9.3635","0.0001","16.4396","0.0002","13.0475","0.0002","90","","107.376","0.001","90","","1916.78","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","1452 RASC455 [PdCl~2~((4R,1'R,R~Fc~)-19)].2(CHCl~3~)","Dichloro[(4R,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl)-1- [1-(diphenylphosphino)ethyl]-ferrocene-N,P]palladium bis(chloroform) solvate","","- C35 H32 Cl8 Fe N O P Pd -","- C35 H32 Cl8 Fe N O P Pd -","- C70 H64 Cl16 Fe2 N2 O2 P2 Pd2 -","2","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0195","0.0191","","","0.0479","0.0481","","","","","","1.053","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065112","11.1848","0.0004","15.8115","0.0006","18.1557","0.001","90","","103.037","0.003","90","","3128","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H12 B F20 P -","- C32 H12 B F20 P -","- C128 H48 B4 F80 P4 -","4","2","","Rosorius, Christoph; Kehr, Gerald; Fröhlich, Roland; Grimme, Stefan; Erker, Gerhard","Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair","Organometallics","2011","30","15","4211","","10.1021/om200569k","","","1.54178","CuKα","","0.0623","0.0494","","","0.114","0.1246","","","","","","1.03","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065124","10.076","0.0016","14.598","0.002","14.085","0.002","90","","110.273","0.003","90","","1943.4","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H42 Cl6 Fe P2 Pd -","- C36 H42 Cl6 Fe P2 Pd -","- C72 H84 Cl12 Fe2 P4 Pd2 -","2","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.05","0.0468","","","0.1164","0.1182","","","","","","1.085","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065125","10.2517","0.0005","17.0419","0.0008","10.7565","0.0005","90","","97.406","0.001","90","","1863.57","0.15","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 Cl4 Fe P2 Pd -","- C38 H44 Cl4 Fe P2 Pd -","- C76 H88 Cl8 Fe2 P4 Pd2 -","2","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0593","0.0512","","","0.1334","0.1391","","","","","","1.032","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065156","12.541","0.002","15.314","0.003","15.131","0.003","90","","111.85","0.03","90","","2697.2","1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H48 B N P2 Ru -","- C23 H48 B N P2 Ru -","- C92 H192 B4 N4 P8 Ru4 -","4","2","","Zhang, Jing; Balaraman, Ekambaram; Leitus, Gregory; Milstein, David","Electron-Rich PNP- and PNN-Type Ruthenium(II) Hydrido Borohydride Pincer Complexes. Synthesis, Structure, and Catalytic Dehydrogenation of Alcohols and Hydrogenation of Esters","Organometallics","2011","30","21","5716","","10.1021/om200595m","","","0.71073","MoKα","","0.0364","0.0325","","","0.0742","0.0764","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065246","13.3244","0.0002","8.1593","0.0001","15.5064","0.0003","90","","102.807","0.002","90","","1643.88","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Cp*RuCl((3,5-(CF3)2C6H3NC(CF3))2CH)'","","","- C31 H22 Cl F18 N2 Ru -","- C31 H22 Cl F18 N2 Ru -","- C62 H44 Cl2 F36 N4 Ru2 -","2","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","1.54184","CuKα","","0.0356","0.0347","","","0.0884","0.0891","","","","","","1.049","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065317","10.5712","0.0002","10.7944","0.0002","12.3258","0.0002","90","","90.405","0.001","90","","1406.46","0.04","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1531 [FeCl(OPN-iPr)2]Cl at 100K","","","- C22 H38 Cl2 Fe N4 O2 P2 -","- C22 H38 Cl2 Fe N4 O2 P2 -","- C44 H76 Cl4 Fe2 N8 O4 P4 -","2","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0205","0.0199","","","0.0531","0.0536","","","","","","1.052","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065377","14.611","0.003","7.7625","0.0016","21.751","0.005","90","","96.143","0.003","90","","2452.8","0.9","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H30 B Br F4 Ir N3 O -","- C22 H30 B Br F4 Ir N3 O -","- C88 H120 B4 Br4 F16 Ir4 N12 O4 -","4","2","","Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; Winterle, Sonja; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A.","Iridium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient and Versatile Transfer Hydrogenation Catalysts","Organometallics","2011","30","20","5493","","10.1021/om200747k","","","0.71073","MoKα","","0.0278","0.0265","","","0.0558","0.0564","","","","","","1.052","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065511","8.7193","0.0004","16.6428","0.0005","12.4298","0.0006","90","","108.653","0.003","90","","1708.99","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H44 Br2 Fe N4 O2 -","- C33 H44 Br2 Fe N4 O2 -","- C66 H88 Br4 Fe2 N8 O4 -","2","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0387","0.0362","","","0.0914","0.0924","","","","","","1.054","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065540","13.0985","0.0012","13.5228","0.0012","14.3523","0.0013","90","","101.162","0.001","90","","2494.1","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H56 Cl2 F12 O3 P2 Ru Sb2 -","- C43 H54 Cl2 F12 O3 P2 Ru Sb2 -","- C86 H108 Cl4 F24 O6 P4 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity","Organometallics","2011","30","24","6726","","10.1021/om200944y","","","0.71073","MoKα","","0.0269","0.025","","","0.0612","0.0621","","","","","","1.033","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065541","11.4111","0.0007","20.225","0.0013","11.7749","0.0008","90","","112.134","0.001","90","","2517.3","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H50 Cl4 F12 O P2 Ru Sb2 -","- C43 H50 Cl4 F12 O P2 Ru Sb2 -","- C86 H100 Cl8 F24 O2 P4 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity","Organometallics","2011","30","24","6726","","10.1021/om200944y","","","0.71073","MoKα","","0.0478","0.0436","","","0.0937","0.0963","","","","","","1.049","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065542","13.0548","0.001","13.3427","0.001","14.2143","0.0011","90","","100.114","0.002","90","","2437.5","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H52 Cl2 F12 O P2 Ru Sb2 -","- C44 H52 Cl2 F12 O P2 Ru Sb2 -","- C88 H104 Cl4 F24 O2 P4 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity","Organometallics","2011","30","24","6726","","10.1021/om200944y","","","0.71073","MoKα","","0.0908","0.0642","","","0.0996","0.1116","","","","","","1.067","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065543","11.0323","0.0005","18.961","0.0007","12.4461","0.0005","90","","108.62","0.0012","90","","2467.24","0.18","213","","213","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H64 Cl4 Fe O2 P2 Pd -","- C49 H64 Cl4 Fe O2 P2 Pd -","- C98 H128 Cl8 Fe2 O4 P4 Pd2 -","2","1","","Kobayashi, Kenya; Yamamoto, Yasunori; Miyaura, Norio","Pd/Josiphos-Catalyzed Enantioselective α-Arylation of Silyl Ketene Acetals and Mechanistic Studies on Transmetalation and Enantioselection","Organometallics","2011","30","22","6323","","10.1021/om200945q","","","0.71075","MoKα","","","0.0576","","","","0.138","","","","","","1.107","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065606","13.5613","0.0005","9.568","0.0002","17.556","0.0009","90","","108.878","0.002","90","","2155.44","0.15","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43.4 H45.5 I N2 O4.85 P2 Pd -","- C43.4 H45.5 I N2 O4.85 P2 Pd -","- C86.8 H91 I2 N4 O9.7 P4 Pd2 -","2","1","","Li, Jie; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Chiral Amino Alcohol Derived Bis-phosphoramidite Pincer Palladium Complexes and Their Applications in Asymmetric Allylation of Aldimines","Organometallics","2010","29","6","1379","","10.1021/om100021p","","","0.71073","MoKα","","0.0428","0.0293","","","0.0577","0.0618","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065622","8.4169","0.0007","27.247","0.002","13.4895","0.0011","90","","90.015","0.001","90","","3093.6","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Fe2 N O6 S -","- C33 H33 Fe2 N O6 S -","- C132 H132 Fe8 N4 O24 S4 -","4","2","","Busetto, Luigi; Marchetti, Fabio; Renili, Filippo; Zacchini, Stefano; Zanotti, Valerio","Addition of Alkynes to Zwitterionic μ-Vinyliminium Diiron Complexes: New Selenophene (Thiophene) and Vinyl Chalcogenide Functionalized Bridging Ligands","Organometallics","2010","29","7","1797","","10.1021/om100037t","","","0.71073","MoKα","","0.0473","0.0397","","","0.0956","0.0996","","","","","","1.004","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065630","7.832","0.004","16.907","0.008","11.731","0.006","90","","92.313","0.005","90","","1552.1","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Br2 N4 Pd -","- C25 H28 Br2 N4 Pd -","- C50 H56 Br4 N8 Pd2 -","2","1","","Xiao, Xu-Qiong; Jia, Ai-Quan; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Palladium-Based Macrocycles with N-Heterocyclic Carbene as the “Corner” Ligand†","Organometallics","2010","29","21","4842","","10.1021/om100040g","","","0.71073","MoKα","","0.0601","0.0507","","","0.1439","0.1532","","","","","","0.994","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065640","6.0896","0.0002","7.8142","0.0002","18.7986","0.0006","90","","95.268","0.002","90","","890.76","0.05","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-bromo-4'-(ethenylferrocenyl)biphenyl","","- C24 H19 Br Fe -","- C24 H19 Br Fe -","- C48 H38 Br2 Fe2 -","2","1","","McAdam, C. John; Robinson, Brian H.; Simpson, Jim; Tagg, Tei","Ferrocenyl−Naphthalimide Donor−Acceptor Dyads with Aromatic Spacer Groups","Organometallics","2010","29","11","2474","","10.1021/om1000452","","","0.71073","MoKα","","0.0278","0.0266","","","0.0674","0.0682","","","","","","1.081","","","","has coordinates,has disorder","178549","2020-10-21","18:00:00",""
"4065652","10.45","0.001","14.957","0.0013","10.8664","0.001","90","","118.458","0.002","90","","1493.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 Cl4 P2 Pt -","- C29 H38 Cl4 P2 Pt -","- C58 H76 Cl8 P4 Pt2 -","2","1","","Fanjul, Tamara; Eastham, Graham; Fey, Natalie; Hamilton, Alex; Orpen, A. Guy; Pringle, Paul G.; Waugh, Mark","Palladium Complexes of the Heterodiphosphineo-C6H4(CH2PtBu2)(CH2PPh2) Are Highly Selective and Robust Catalysts for the Hydromethoxycarbonylation of Ethene","Organometallics","2010","29","10","2292","","10.1021/om100049n","","","0.71073","MoKα","","0.0248","0.0228","","","0.048","0.0489","","","","","","0.881","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065671","11.251","0.002","18.19","0.004","15.163","0.003","90","","107.22","0.03","90","","2964.1","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H45 Ge I N2 -","- C30 H45 Ge I N2 -","- C120 H180 Ge4 I4 N8 -","4","2","","Rupar, Paul A.; Staroverov, Viktor N.; Baines, Kim M.","Reactivity Studies of N-Heterocyclic Carbene Complexes of Germanium(II)†","Organometallics","2010","29","21","4871","","10.1021/om100059z","","x-ray","0.71073","MoKα","","0.0554","0.0428","","","0.0971","0.1042","","","","","","1.057","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065698","9.5783","0.0003","9.7533","0.0003","12.4712","0.0004","90","","90.589","0.002","90","","1165","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 O5 P Si W -","- C22 H19 O5 P Si W -","- C44 H38 O10 P2 Si2 W2 -","2","1","","Panichakul, Duanghathai; Lim, Yi Wee; Mathey, François","Reactivity of 2-Silyl- and 2-Stannyl-Substituted Phosphirenes","Organometallics","2010","29","8","1985","","10.1021/om100083e","","","0.71073","MoKα","","0.026","0.0196","","","0.0386","0.041","","","","","","1.065","","","","has coordinates,has disorder","178549","2020-10-21","18:00:00",""
"4065718","13.393","0.004","5.7699","0.0018","20.266","0.006","90","","107.784","0.005","90","","1491.2","0.8","173.1","","173.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 Br O -","- C19 H13 Br O -","- C76 H52 Br4 O4 -","4","2","","Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium-Catalyzed Enantioselective [3+3] Cycloaddition of Propargylic Alcohols with 2-Naphthols","Organometallics","2010","29","9","2126","","10.1021/om100097k","","","0.71075","MoKα","","","0.0537","","","","0.1564","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065726","13.5041","0.001","26.7484","0.0019","13.9587","0.001","90","","94.773","0.002","90","","5024.6","0.6","186.5","0.2","186.5","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C87 H129 Al2 Cl6 N6 O0 Y3 -","- C87 H129 Al2 Cl6 N6 Y3 -","- C174 H258 Al4 Cl12 N12 Y6 -","2","1","","Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan","β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene","Organometallics","2010","29","9","2186","","10.1021/om100100r","","","0.71073","MoKα","","0.2167","0.1255","","","0.2982","0.3644","","","","","","0.999","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065746","12.7295","0.0013","10.6561","0.0011","17.9422","0.0018","90","","90.754","0.002","90","","2433.6","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 Co2 O7 Si -","- C21 H28 Co2 O7 Si -","- C84 H112 Co8 O28 Si4 -","4","2","","Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J.","Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model†","Organometallics","2010","29","21","4882","","10.1021/om100107x","","","0.71073","MoKα","","0.046","0.0398","","","0.0903","0.0936","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065751","7.16603","0.00018","16.0451","0.0004","7.92429","0.00017","90","","91.443","0.002","90","","910.84","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H26 Ga2 O6 -","- C12 H26 Ga2 O6 -","- C24 H52 Ga4 O12 -","2","1","","Horeglad, Paweł; Kruk, Przemysław; Pécaut, Jacques","Heteroselective Polymerization ofrac-Lactide in the Presence of Dialkylgallium Alkoxides: The Effect of Lewis Base on Polymerization Stereoselectivity","Organometallics","2010","29","17","3729","","10.1021/om100110p","","","0.71073","MoKα","","0.0334","0.0286","","","0.0624","0.0631","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065792","7.9159","0.0007","13.188","0.001","10.8503","0.001","90","","110.163","0.008","90","","1063.3","0.17","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl F6 N3 P Ru -","- C20 H23 Cl F6 N3 P Ru -","- C40 H46 Cl2 F12 N6 P2 Ru2 -","2","1","","Romain, Charles; Gaillard, Sylvain; Elmkaddem, Mohammed K.; Toupet, Loïc; Fischmeister, Cédric; Thomas, Christophe M.; Renaud, Jean-Luc","New Dipyridylamine Ruthenium Complexes for Transfer Hydrogenation of Aryl Ketones in Water","Organometallics","2010","29","8","1992","","10.1021/om100127f","","","0.71069","MoKα","","0.0211","0.0201","","","0.0503","0.0507","","","","","","1.054","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065821","8.303","0.002","15.3941","0.0018","11.5884","0.0017","90","","103.892","0.005","90","","1437.9","0.4","93.1","","93.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cl2 N Rh -","- C14 H22 Cl2 N Rh -","- C56 H88 Cl8 N4 Rh4 -","4","2","","Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao","Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes","Organometallics","2010","29","8","1886","","10.1021/om100151m","","","0.7107","MoKα","","","0.0278","","","","0.0443","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065853","8.0019","0.0015","29.868","0.006","11.398","0.002","90","","107.434","0.004","90","","2599","0.8","297","2","297","2","","","","","","","","9","P 1 21 1","P 2yb","4","1195 trans-[Fe(PNP-iPr)(CO)2Cl]BF4","(N,N'-bis(di-isopropylphosphino)-2,6-diaminopyridine)- -trans-bis(carbonyl)-chloro-iron(II) tetrafluoroborate","","- C19 H33 B Cl F4 Fe N3 O2 P2 -","- C19 H33 B Cl F4 Fe N3 O2 P2 -","- C76 H132 B4 Cl4 F16 Fe4 N12 O8 P8 -","4","2","","Benito-Garagorri, David; Alves, Luis Gonçalo; Veiros, Luis F.; Standfest-Hauser, Christina M.; Tanaka, Shinji; Mereiter, Kurt; Kirchner, Karl","Kinetically Controlled Formation of Octahedraltrans-Dicarbonyl Iron(II) PNP Pincer Complexes: The Decisive Role of Spin-State Changes§","Organometallics","2010","29","21","4932","","10.1021/om1001638","","","0.71073","MoKα","","0.0674","0.0496","","","0.1147","0.1238","","","","","","1.016","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065854","11.3222","0.0007","10.2793","0.0006","12.6768","0.0008","90","","111.342","0.001","90","","1374.21","0.15","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","1243 trans-[Fe(PNP-iPr)(CO)2Cl]CF3SO3","(N,N'-bis(di-isopropylphosphino)-2,6-diaminopyridine)- -trans-bis(carbonyl)-chloro-iron(II) trifluoromethanesulfonate","","- C20 H33 Cl F3 Fe N3 O5 P2 S -","- C20 H33 Cl F3 Fe N3 O5 P2 S -","- C40 H66 Cl2 F6 Fe2 N6 O10 P4 S2 -","2","1","","Benito-Garagorri, David; Alves, Luis Gonçalo; Veiros, Luis F.; Standfest-Hauser, Christina M.; Tanaka, Shinji; Mereiter, Kurt; Kirchner, Karl","Kinetically Controlled Formation of Octahedraltrans-Dicarbonyl Iron(II) PNP Pincer Complexes: The Decisive Role of Spin-State Changes§","Organometallics","2010","29","21","4932","","10.1021/om1001638","","","0.71073","MoKα","","0.0626","0.0457","","","0.1092","0.1186","","","","","","1.033","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065880","9.5809","0.0009","16.3451","0.0011","10.2339","0.0011","90","","104.031","0.005","90","","1554.8","0.2","193.1","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H36 F3 Ir N3 O5 S2 -","- C28 H36 F3 Ir N3 O5 S2 -","- C56 H72 F6 Ir2 N6 O10 S4 -","2","1","","Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao","Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts","Organometallics","2010","29","11","2397","","10.1021/om1001809","","","0.7107","MoKα","","","0.0287","","","","0.0726","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065881","17.713","0.005","15.819","0.004","18.844","0.005","90","","105.997","0.003","90","","5076","2","193.1","","193","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H37 Cl2 F3 Ir N3 O4 S2 -","- C29 H37 Cl2 F3 Ir N3 O4 S2 -","- C174 H222 Cl12 F18 Ir6 N18 O24 S12 -","6","3","","Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao","Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts","Organometallics","2010","29","11","2397","","10.1021/om1001809","","","0.7107","MoKα","","","0.0457","","","","0.1089","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065884","8.9137","0.0016","24.81","0.004","20.927","0.004","90","","100.589","0.003","90","","4549.2","1.4","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","[Rh2(dippe)2(u-H)(u-S-4,6-Me2C12H7), 6","","","- C42 H78 P4 Rh2 S -","- C42 H78 P4 Rh2 S -","- C168 H312 P16 Rh8 S4 -","4","2","","Oster, Stephen S.; Grochowski, Matthew R.; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.","Carbon−Sulfur Bond Activation of Dibenzothiophenes and Phenoxythiin by [Rh(dippe)(μ-H)]2and [Rh2(dippe)2(μ-Cl)(μ-H)]†","Organometallics","2010","29","21","4923","","10.1021/om1001815","","","0.71073","MoKα","","0.1469","0.0733","","","0.1245","0.1518","","","","","","0.983","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065952","10.573","0.0001","11.853","0.0002","18.613","0.0003","90","","100.724","0.001","90","","2291.87","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 F6 N4 P -","- C21 H27 F6 N4 P -","- C84 H108 F24 N16 P4 -","4","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring","Organometallics","2010","29","12","2724","","10.1021/om1002107","","","0.71073","MoKα","","0.0894","0.0704","","","0.1679","0.1818","","","","","","1.049","","","","has coordinates,has disorder","178552","2020-10-21","18:00:00",""
"4065955","18.6743","0.001","11.3718","0.0007","19.8153","0.0008","90","","114.746","0.003","90","","3821.6","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H54 F6 N4 Ni O2 P -","- C37 H54 F6 N4 Ni O2 P -","- C148 H216 F24 N16 Ni4 O8 P4 -","4","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring","Organometallics","2010","29","12","2724","","10.1021/om1002107","","","0.71073","MoKα","","0.1831","0.1083","","","0.2315","0.2781","","","","","","1.023","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065971","9.3781","0.0019","29.462","0.006","11.912","0.002","90","","104.92","0.03","90","","3180.3","1.1","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl N2 O2 P Pd -","- C35 H30 Cl N2 O2 P Pd -","- C140 H120 Cl4 N8 O8 P4 Pd4 -","4","2","","Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies","Organometallics","2010","29","11","2579","","10.1021/om100232n","","","0.71073","MoKα","","0.0649","0.0576","","","0.161","0.1722","","","","","","1.043","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065974","8.9132","0.0018","13.272","0.003","13.745","0.003","90","","99.93","0.03","90","","1601.6","0.6","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H30 I N2 O2 P Pd -","- C35 H30 I N2 O2 P Pd -","- C70 H60 I2 N4 O4 P2 Pd2 -","2","1","","Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies","Organometallics","2010","29","11","2579","","10.1021/om100232n","","","0.71073","MoKα","","0.0309","0.0288","","","0.0567","0.0579","","","","","","1.042","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065981","14.581","0.003","15.906","0.003","20.557","0.004","90","","91.33","0.03","90","","4766.4","1.6","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C99 H112 Cl2 N4 O9 P4 Pd2 -","- C99 H112 Cl2 N4 O9 P4 Pd2 -","- C198 H224 Cl4 N8 O18 P8 Pd4 -","2","1","","Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping","Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation","Organometallics","2010","29","9","2148","","10.1021/om100234q","","","0.71073","MoKα","","0.0519","0.0406","","","0.0809","0.0852","","","","","","1.018","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065982","10.277","0.002","9.5577","0.0019","17.088","0.003","90","","96.5","0.03","90","","1667.7","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Cl N3 O3 P Pd -","- C36 H37 Cl N3 O3 P Pd -","- C72 H74 Cl2 N6 O6 P2 Pd2 -","2","1","","Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping","Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation","Organometallics","2010","29","9","2148","","10.1021/om100234q","","","0.71073","MoKα","","0.0591","0.047","","","0.0933","0.1009","","","","","","1.012","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065983","10.232","0.002","9.4811","0.0019","17.026","0.003","90","","96.66","0.03","90","","1640.6","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Cl N3 Ni O3 P -","- C36 H37 Cl N3 Ni O3 P -","- C72 H74 Cl2 N6 Ni2 O6 P2 -","2","1","","Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping","Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation","Organometallics","2010","29","9","2148","","10.1021/om100234q","","","0.71073","MoKα","","0.0799","0.0598","","","0.1295","0.149","","","","","","1.006","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4066011","13.369","0.004","18.019","0.004","13.741","0.004","90","","117.416","0.005","90","","2938.4","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H50 Cl N4 O4 P2 Rh -","- C72 H50 Cl N4 O4 P2 Rh -","- C144 H100 Cl2 N8 O8 P4 Rh2 -","2","1","","Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano","Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)","Organometallics","2010","29","11","2503","","10.1021/om100248u","","","0.7107","MoKα","","0.0863","0.0507","","","0.0955","0.1166","","","","","","1.089","","","","has coordinates,has disorder","178504","2020-10-21","18:00:00",""
"4066013","12.926","0.004","12.53","0.003","13.177","0.003","90","","92.392","0.007","90","","2132.3","1","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C39 H36 B Cl2 F4 N4 O4 P2 Rh -","- C39 H36 B Cl2 F4 N4 O4 P2 Rh -","- C78 H72 B2 Cl4 F8 N8 O8 P4 Rh2 -","2","1","","Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano","Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)","Organometallics","2010","29","11","2503","","10.1021/om100248u","","","0.7107","MoKα","","0.106","0.0674","","","0.1554","0.1907","","","","","","1.061","","","","has coordinates,has disorder","178504","2020-10-21","18:00:00",""
"4066015","12.04","0.005","18.12","0.006","13.188","0.005","90","","112.916","0.009","90","","2650.1","1.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H54 Cu I N4 O2 P2 -","- C62 H54 Cu I N4 O2 P2 -","- C124 H108 Cu2 I2 N8 O4 P4 -","2","1","","Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano","Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)","Organometallics","2010","29","11","2503","","10.1021/om100248u","","","0.7107","MoKα","","0.0894","0.0444","","","0.0865","0.132","","","","","","1.079","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066077","10.6416","0.0014","24.796","0.003","15.569","0.002","90","","101.667","0.002","90","","4023.3","0.9","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","eisjz04","","","- C40.5 H39 Cl3 N2 O2 P2 Pd -","- C40.5 H39 Cl3 N2 O2 P2 Pd -","- C162 H156 Cl12 N8 O8 P8 Pd4 -","4","2","","Zhang, Jing; Vaidya, Tulaza; Brennessel, William W.; Frontier, Alison J.; Eisenberg, Richard","Dicationic Palladium(II) Complexes as Active Lewis Acid Catalysts for Polarized Nazarov Cyclization","Organometallics","2010","29","15","3341","","10.1021/om100274g","","","0.71073","MoKα","","0.0898","0.0562","","","0.0957","0.106","","","","","","0.936","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066166","9.9053","0.0017","11.2911","0.0018","11.0981","0.0019","90","","109.586","0.003","90","","1169.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C44 H60 Br2 N2 O10 -","2","1","","Liu, Zhen; Shi, Min","Catalytic Enantioselective Addition of Cyclic β-Keto Esters with Activated Olefins and N-Boc Imines Using ChiralC2-Symmetric Cationic Pd2+N-Heterocyclic Carbene (NHC) Diaqua Complexes","Organometallics","2010","29","12","2831","","10.1021/om100331z","","","0.71073","MoKα","","0.1195","0.0671","","","0.1623","0.1978","","","","","","0.842","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066216","9.0468","0.0003","14.4313","0.0006","9.6325","0.0004","90","","111.908","0.002","90","","1166.77","0.08","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl2 P2 Pd -","- C23 H26 Cl2 P2 Pd -","- C46 H52 Cl4 P4 Pd2 -","2","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0447","0.0422","","","0.1318","0.1353","","","","","","1.19","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066217","8.9434","0.0003","13.022","0.0004","10.8172","0.0004","90","","112.444","0.002","90","","1164.36","0.07","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl2 P2 Pd -","- C23 H26 Cl2 P2 Pd -","- C46 H52 Cl4 P4 Pd2 -","2","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0558","0.0486","","","0.1349","0.1549","","","","","","1.091","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066219","9.8594","0.0004","14.0726","0.0006","11.7832","0.0005","90","","90.289","0.001","90","","1634.87","0.12","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H36 Cl3 N2 O4 P Pd -","- C30 H36 Cl3 N2 O4 P Pd -","- C60 H72 Cl6 N4 O8 P2 Pd2 -","2","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0344","0.0332","","","0.0864","0.0876","","","","","","1.028","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066220","10.1398","0.0012","8.5738","0.0009","19.062","0.002","90","","98.478","0.006","90","","1639.1","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl2 N P Pd -","- C15 H18 Cl2 N P Pd -","- C60 H72 Cl8 N4 P4 Pd4 -","4","2","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0275","0.0249","","","0.0746","0.0904","","","","","","1.105","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066222","8.6884","0.0003","14.7236","0.0006","9.3534","0.0004","90","","109.031","0.002","90","","1131.13","0.08","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl2 P2 Pd -","- C22 H24 Cl2 P2 Pd -","- C44 H48 Cl4 P4 Pd2 -","2","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.043","0.0378","","","0.0903","0.0996","","","","","","1.107","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066344","12.288","0.0014","20.243","0.003","12.5337","0.0016","90","","115.408","0.015","90","","2816.1","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H78 Al3 N5 -","- C57 H78 Al3 N5 -","- C114 H156 Al6 N10 -","2","1","","Maheswari, K.; Rajendran, N. M.; Meyer, Jens; Reddy, N. Dastagiri","Reactions of an Aluminum Amide with Aromatic Nitriles: Formation of Al−N−C Frameworks","Organometallics","2010","29","17","3799","","10.1021/om100406y","","","0.71073","MoKα","","0.2792","0.0548","","","0.0556","0.0833","","","","","","0.553","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066369","9.6923","0.0003","17.9355","0.0009","10.6162","0.0004","90","","116.597","0.003","90","","1650.19","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H52 Cl Ir N2 -","- C35 H52 Cl Ir N2 -","- C70 H104 Cl2 Ir2 N4 -","2","1","","Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W.","Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities","Organometallics","2010","29","13","3047","","10.1021/om1004226","","","0.71073","MoKα","","0.0332","0.0258","","","0.0472","0.05","","","","","","1.071","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066435","11.2371","0.0006","17.358","0.0009","11.4474","0.0008","90","","111.317","0.003","90","","2080.1","0.2","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H47 F6 N2 P Ru -","- C45 H47 F6 N2 P Ru -","- C90 H94 F12 N4 P2 Ru2 -","2","1","","Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno","Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands","Organometallics","2010","29","14","3169","","10.1021/om100458h","","","0.71073","MoKα","","0.1235","0.0672","","","0.0989","0.1148","","","","","","1.041","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066514","7.095","0.001","10.146","0.001","8.336","0.001","90","","102.58","0.01","90","","585.67","0.12","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Fe N -","- C15 H15 Fe N -","- C30 H30 Fe2 N2 -","2","1","","Usener, Carolin; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Mück-Lichtenfeld, Christian; Erker, Gerhard","Developing a Reliable Synthetic Route tocis-1,3-Bridge-Disubstituted [3]Ferrocenophane Systems","Organometallics","2010","29","17","3852","","10.1021/om100501q","","","0.71073","MoKα","","0.0448","0.0409","","","0.1108","0.1157","","","","","","1.086","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066519","13.0508","0.0004","7.4657","0.0002","22.5114","0.0008","90","","92.649","0.001","90","","2191.02","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Br Fe O2 -","- C16 H17 Br Fe O2 -","- C96 H102 Br6 Fe6 O12 -","6","3","","Usener, Carolin; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Mück-Lichtenfeld, Christian; Erker, Gerhard","Developing a Reliable Synthetic Route tocis-1,3-Bridge-Disubstituted [3]Ferrocenophane Systems","Organometallics","2010","29","17","3852","","10.1021/om100501q","","","0.71073","MoKα","","0.0805","0.0536","","","0.1019","0.1118","","","","","","1.048","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066525","9.8671","0.0016","8.2509","0.0012","12.0106","0.0017","90","","109.031","0.003","90","","924.4","0.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 Au Cl N2 -","- C19 H21 Au Cl N2 -","- C38 H42 Au2 Cl2 N4 -","2","1","","Gung, Benjamin W.; Bailey, Lauren N.; Craft, Derek T.; Barnes, Charles L.; Kirschbaum, Kristin","Preparation and Characterization of Two New N-Heterocyclic Carbene Gold(I) Complexes and Comparison of Their Catalytic Activity to Au(IPr)Cl","Organometallics","2010","29","15","3450","","10.1021/om100504z","","","0.71073","MoKα","","0.0303","0.0249","","","0.0583","0.0608","","","","","","1.063","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066526","9.321","0.002","9.326","0.002","11.811","0.003","90","","105.639","0.003","90","","988.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Au Cl N2 -","- C23 H22 Au Cl N2 -","- C46 H44 Au2 Cl2 N4 -","2","1","","Gung, Benjamin W.; Bailey, Lauren N.; Craft, Derek T.; Barnes, Charles L.; Kirschbaum, Kristin","Preparation and Characterization of Two New N-Heterocyclic Carbene Gold(I) Complexes and Comparison of Their Catalytic Activity to Au(IPr)Cl","Organometallics","2010","29","15","3450","","10.1021/om100504z","","","0.71073","MoKα","","0.0343","0.0272","","","0.0608","0.0635","","","","","","0.916","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066528","10.865","0.0005","15.4156","0.0008","16.3015","0.0008","90","","100.227","0.003","90","","2687","0.2","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Cl2 O P2 Pd -","- C29 H28 Cl2 O P2 Pd -","- C116 H112 Cl8 O4 P8 Pd4 -","4","2","","Yuan, Mingjun; Pullarkat, Sumod A.; Li, Yongxin; Lee, Zhi-Yi; Leung, Pak-Hing","Novel Synthesis of Chiral 1,3-Diphosphines via Palladium Template Promoted Hydrophosphination and Functional Group Transformation Reactions","Organometallics","2010","29","16","3582","","10.1021/om100505w","","","0.71073","MoKα","","0.0861","0.0583","","","0.1471","0.169","","","","","","1.096","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066529","9.1714","0.0003","15.7179","0.0006","12.203","0.0004","90","","97.793","0.002","90","","1742.88","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl6 O P2 Pd -","- C31 H34 Cl6 O P2 Pd -","- C62 H68 Cl12 O2 P4 Pd2 -","2","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Li, Yongxin; Lee, Zhi-Yi; Leung, Pak-Hing","Novel Synthesis of Chiral 1,3-Diphosphines via Palladium Template Promoted Hydrophosphination and Functional Group Transformation Reactions","Organometallics","2010","29","16","3582","","10.1021/om100505w","","","0.71073","MoKα","","0.0488","0.0362","","","0.0819","0.1012","","","","","","1.087","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066541","8.3876","0.0001","18.7925","0.0003","10.4541","0.0002","90","","102.453","0.001","90","","1609.05","0.04","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","Ti{PhCH2N(CH2CH2NTs)2}(NMe2)(OiPr)","","- C30 H42 N4 O5 S2 Ti -","- C30 H42 N4 O5 S2 Ti -","- C60 H84 N8 O10 S4 Ti2 -","2","1","","Schwarz, Andrew D.; Herbert, Katherine R.; Paniagua, Cristina; Mountford, Philip","Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts","Organometallics","2010","29","18","4171","","10.1021/om100508j","","","0.71073","MoKα","","0.0385","0.0341","","0.0425","0.0366","0.0358","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066625","9.7101","0.0016","10.2653","0.0019","13.582","0.002","90","","92.65","0.005","90","","1352.4","0.4","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 B N3 Ru -","- C30 H35 B N3 Ru -","- C60 H70 B2 N6 Ru2 -","2","1","","Namura, Kyo; Kakuta, Satoshi; Suzuki, Hiroharu","Synthesis of Ruthenium Polyhydride Clusters with 1,4,7-Triazacyclononane-Type Ligands: Stereo and Electronic Effects of Ancillary Ligands","Organometallics","2010","29","19","4305","","10.1021/om100549d","","","0.71069","MoKα","","0.0566","0.0467","","","0.1157","0.129","","","","","","1.119","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066665","9.1404","0.0003","14.5553","0.0004","9.6209","0.0003","90","","95.758","0.002","90","","1273.52","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H22 B F12 P -","- C26 H22 B F12 P -","- C52 H44 B2 F24 P2 -","2","1","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Dihydrogen Activation by B(p-C6F4H)3and Phosphines","Organometallics","2010","29","16","3647","","10.1021/om100563m","","","0.71073","MoKα","","0.0418","0.0338","","","0.0798","0.0836","","","","","","1.039","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066667","9.156","0.0018","17.125","0.003","9.614","0.0019","90","","97.49","0.03","90","","1494.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 B F12 P -","- C30 H32 B F12 P -","- C60 H64 B2 F24 P2 -","2","1","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Dihydrogen Activation by B(p-C6F4H)3and Phosphines","Organometallics","2010","29","16","3647","","10.1021/om100563m","","","0.71073","MoKα","","0.0578","0.0405","","","0.0817","0.0906","","","","","","1.059","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066670","7.1425","0.0008","12.341","0.0011","15.3631","0.0011","90","","93.477","0.009","90","","1351.7","0.2","200","2","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H7 B Br F4 Mn O4 -","- C10 H7 B Br F4 Mn O4 -","- C40 H28 B4 Br4 F16 Mn4 O16 -","4","2","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick","Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes","Organometallics","2010","29","17","3876","","10.1021/om100564v","","","0.71073","MoKα","","0.0582","0.0424","","0.0961","0.0895","0.0961","","","","","","0.9246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066671","12.152","0.002","27.425","0.003","12.8037","0.0019","90","","103.796","0.015","90","","4144","1.1","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Mn O5 -","- C21 H25 Mn O5 -","- C168 H200 Mn8 O40 -","8","4","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick","Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes","Organometallics","2010","29","17","3876","","10.1021/om100564v","","","0.71073","MoKα","","0.057","0.0393","","0.0568","0.0405","0.0381","","","","","","1.1117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066718","8.1083","0.0004","14.2434","0.0008","8.6479","0.0004","90","","96.46","0.003","90","","992.4","0.09","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F6 N6 P Rh -","- C16 H24 F6 N6 P Rh -","- C32 H48 F12 N12 P2 Rh2 -","2","1","","Riederer, Stephanie K. U.; Gigler, Peter; Högerl, Manuel P.; Herdtweck, Eberhardt; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Impact of Ligand Modification on Structures and Catalytic Activities of Chelating Bis-Carbene Rhodium(I) Complexes†","Organometallics","2010","29","21","5681","","10.1021/om1005897","","","0.71073","MoKα","","0.0507","0.0501","","","0.1305","0.1313","","","","","","1.086","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066736","9.3496","0.0004","15.1926","0.0005","16.352","0.0007","90","","92.768","0.002","90","","2320.01","0.16","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C40 H58 Cl2 O4 P4 Pt2 -","- C40 H56 Cl2 O4 P4 Pt2 -","- C80 H112 Cl4 O8 P8 Pt4 -","2","1","","Achard, Thierry; Giordano, Laurent; Tenaglia, Alphonse; Gimbert, Yves; Buono, Gérard","Steric Control in the Synthesis of Phosphinous Acid-Coordinated Mono- and Binuclear Platinum(II) Complexes","Organometallics","2010","29","17","3936","","10.1021/om100602j","","x-ray","0.71073","MoKα","","0.1253","0.0682","","","0.1075","0.1286","","","","","","1.116","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066776","5.7938","0.0002","8.0913","0.0003","18.6108","0.0006","90","","94.025","0.003","90","","870.31","0.05","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 Fe O -","- C20 H28 Fe O -","- C40 H56 Fe2 O2 -","2","1","","Schaarschmidt, Dieter; Lang, Heinrich","Copper(I)-Mediated Synthesis of Ferrocenyl Alkyl Ethers†","Organometallics","2010","29","18","4196","","10.1021/om1006209","","","0.71073","MoKα","","0.0362","0.0303","","","0.0538","0.0546","","","","","","0.915","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066818","10.743","0.0004","15.6477","0.0006","18.9522","0.0007","90","","95.636","0.001","90","","3170.5","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C61 H61 B F24 Fe O P2 Ru -","- C61 H61 B F24 Fe O P2 Ru -","- C122 H122 B2 F48 Fe2 O2 P4 Ru2 -","2","1","","Koridze, Avthandil A.; Polezhaev, Alexander V.; Safronov, Sergey V.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Lokshin, Boris V.; Petrovskii, Pavel V.; Peregudov, Alexander S.","Cationic Ruthenium Hydrido−Carbonyls Derived from Metallocene-Based Pincers: Unusual Rearrangements and H2Evolution with Formation of Cationic Ruthenium Metallocenylidenes","Organometallics","2010","29","19","4360","","10.1021/om100667p","","","0.71073","MoKα","","0.0423","0.0354","","","0.0761","0.0795","","","","","","1.015","","","","has coordinates,has disorder","178560","2020-10-21","18:00:00",""
"4066833","8.9372","0.0008","15.8861","0.0014","17.5452","0.0015","90","","104.205","0.002","90","","2414.9","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H32 B10 Ni P2 -","- C14 H32 B10 Ni P2 -","- C56 H128 B40 Ni4 P8 -","4","2","","Qiu, Zaozao; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 10 Metal−Carboryne Complexes","Organometallics","2010","29","20","4541","","10.1021/om100669x","","","0.71073","MoKα","","0.0401","0.0327","","","0.0841","0.089","","","","","","1.018","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066875","10.2084","0.0015","19.096","0.003","11.1508","0.0017","90","","110.698","0.003","90","","2033.4","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H57 B Cl F4 N3 Os -","- C43 H57 B Cl F4 N3 Os -","- C86 H114 B2 Cl2 F8 N6 Os2 -","2","1","","Bolaño, Tamara; Buil, María L.; Esteruelas, Miguel A.; Izquierdo, Susana; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique","C−C Bond Activation of the NHC Ligand of an Osmium−Amido Complex","Organometallics","2010","29","20","4517","","10.1021/om100684a","","","0.71073","MoKα","","0.0631","0.0494","","","0.0978","0.1027","","","","","","0.995","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066928","9.9177","0.0017","11.9574","0.0012","10.3355","0.0016","90","","98.14","0.02","90","","1213.3","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H35 B O2 Si3 -","- C19 H35 B O2 Si3 -","- C38 H70 B2 O4 Si6 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Kraft, Philip; Tacke, Reinhold","5,6-Disubstituted 1,2,3-Trisilaindanes as Silicon Analogues of Phantolide-Type Musk Odorants: Synthesis, Structure, Reactivity, and Olfactory Properties§","Organometallics","2010","29","22","5897","","10.1021/om100720k","","","0.71073","MoKα","","0.049","0.0454","","","0.1235","0.127","","","","","","1.07","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4066952","10.187","0.003","16.974","0.004","12.436","0.004","90","","113.246","0.007","90","","1975.8","1","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H49 Cu Mo N2 O3 -","- C42 H49 Cu Mo N2 O3 -","- C84 H98 Cu2 Mo2 N4 O6 -","2","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","A Versatile Cuprous Synthon: [Cu(IPr)(OH)] (IPr = 1,3 bis(diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2010","29","17","3966","","10.1021/om100733n","","","0.71073","MoKα","","0.0501","0.0455","","","0.1087","0.1239","","","","","","1.098","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4066988","8.6829","0.0005","9.3208","0.0005","21.052","0.0011","90","","100.658","0.001","90","","1674.38","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 I N2 O9 -","- C32 H33 I N2 O9 -","- C64 H66 I2 N4 O18 -","2","1","","Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming","Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts","Organometallics","2010","29","22","5959","","10.1021/om100751r","","","0.71073","MoKα","","0.0852","0.066","","","0.1609","0.1778","","","","","","1.069","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066990","14.7543","0.0003","9.067","0.0002","14.9153","0.0003","90","","112.653","0.0014","90","","1841.4","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Br Cl2 N2 O8 -","- C36 H39 Br Cl2 N2 O8 -","- C72 H78 Br2 Cl4 N4 O16 -","2","1","","Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming","Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts","Organometallics","2010","29","22","5959","","10.1021/om100751r","","","0.71073","MoKα","","0.0892","0.0739","","","0.2052","0.2211","","","","","","1.036","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4066991","12.144","0.0002","14.9525","0.0002","18.265","0.0003","90","","93.2063","0.0008","90","","3311.42","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H60 Br2 N4 O16 Pd -","- C64 H60 Br2 N4 O16 Pd -","- C128 H120 Br4 N8 O32 Pd2 -","2","1","","Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming","Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts","Organometallics","2010","29","22","5959","","10.1021/om100751r","","","0.71073","MoKα","","0.073","0.0527","","","0.1407","0.1567","","","","","","1.039","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4067100","11.0239","0.0002","18.0739","0.0003","11.9896","0.0002","90","","99.709","0.001","90","","2354.65","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PdCl2(R)-1a].3CHCl3 (1537)","{(R)-[Diphenylphosphino-(2-diphenylphosphinophenyl)methyl]-ferrocene-P,P'}- dichloropalladium tris(trichloromethane) solvate","","- C44 H37 Cl11 Fe P2 Pd -","- C44 H37 Cl11 Fe P2 Pd -","- C88 H74 Cl22 Fe2 P4 Pd2 -","2","1","","Lotz, Matthias; Schuecker, Raffael; Mereiter, Kurt; Knochel, Paul","Synthesis of Exclusively Centrostereogenic 1,3-Bidentate Ferrocenyldiphosphane Ligands and Their Use in Enantioselective Hydrogenations","Organometallics","2010","29","23","6503","","10.1021/om100830m","","","0.71073","MoKα","","0.0408","0.0387","","","0.0972","0.0988","","","","","","1.021","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067132","10.727","0.0016","13.3092","0.0019","18.395","0.003","90","","95.214","0.002","90","","2615.3","0.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","1346 [PdCl2((R,S~Fc~)-3b)].CHCl~3~","Dichloro[(R,S~Fc~)-1-trimethylsilyl-2- [α-(bis(3,5-bistrifluoromethylphenyl))phosphino-κP)- (2-diphenylphosphinophenyl)methyl-κP]-ferrocene-P,P] palladium trichloromethane solvate, [PdCl2((R,S~Fc~)-3b)].CHCl~3~","","- C49 H39 Cl5 F12 Fe P2 Pd Si -","- C48.687 H38.687 Cl4.061 F12 Fe P2 Pd Si -","- C97.374 H77.374 Cl8.122 F24 Fe2 P4 Pd2 Si2 -","2","1","","Schuecker, Raffael; Weissensteiner, Walter; Mereiter, Kurt; Lotz, Matthias; Spindler, Felix","Synthesis of Ferrocenyl Diphosphine Ligands: Substitution of α-Methoxy or α-Dimethylamino Groups by Phosphines. Retention versus Inversion: A Stereochemical Study","Organometallics","2010","29","23","6443","","10.1021/om100843u","","","0.71073","MoKα","","0.0607","0.0429","","","0.1019","0.1138","","","","","","1.055","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067146","10.017","0.015","30.64","0.06","10.062","0.013","90","","90","","90","","3088","9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Isopropyl DAB + 1 equiv LDA, G2075, 17Et2O","","- C32 H49 Li N2 O -","- C32 H46.725 Li N2 O -","- C128 H186.9 Li4 N8 O4 -","4","2","","Bhadbhade, Mohan; Clentsmith, Guy K. B.; Field, Leslie D.","Sterically Hindered Diazabutadienes (DABs): Competing Reaction Pathways with MeLi","Organometallics","2010","29","23","6509","","10.1021/om100850p","","","0.71073","MoKα","","0.2126","0.1633","","","0.3774","0.3952","","","","","","2.023","","","","has coordinates,has disorder","178562","2020-10-21","18:00:00",""
"4067160","11.0155","0.0005","16.9031","0.0007","15.3","0.0007","90","","97.08","0.003","90","","2827.1","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H45 Al F36 N2 O4 -","- C45 H45 Al F36 N2 O4 -","- C90 H90 Al2 F72 N4 O8 -","2","1","","Schmidt, Sarah; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Bolte, Michael","Synthesis and Structural Characterization of New Zinc Amidinate Complexes","Organometallics","2010","29","22","6097","","10.1021/om1008549","","","0.71073","MoKα","","0.0681","0.0563","","","0.1471","0.154","","","","","","1.045","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067162","10.81","0.0011","18.5525","0.0013","13.4115","0.0012","90","","114.532","0.003","90","","2446.9","0.4","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H78 Al F3 Ni O4 P2 S -","- C46 H78 Al F3 Ni O4 P2 S -","- C92 H156 Al2 F6 Ni2 O8 P4 S2 -","2","1","","Ohashi, Masato; Saijo, Hiroki; Arai, Tomoya; Ogoshi, Sensuke","Nickel(0)-Catalyzed Formation of Oxaaluminacyclopentenes via an Oxanickelacyclopentene Key Intermediate: Me2AlOTf-Assisted Oxidative Cyclization of an Aldehyde and an Alkyne with Nickel(0)","Organometallics","2010","29","23","6534","","10.1021/om100857a","","","0.71075","MoKα","","0.1355","0.1295","","","0.3428","0.347","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067182","9.018","0.0017","14.354","0.003","9.5822","0.0018","90","","107.457","0.003","90","","1183.2","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H41 Cl N2 Ti -","- C22 H41 Cl N2 Ti -","- C44 H82 Cl2 N4 Ti2 -","2","1","","Trunkely, Emily F.; Epshteyn, Albert; Zavalij, Peter Y.; Sita, Lawrence R.","Synthesis, Structural Characterization, and Preliminary Reactivity Profile of a Series of Monocyclopentadienyl, Monoacetamidinate Titanium(III) Alkyl Complexes Bearing β-Hydrogens","Organometallics","2010","29","23","6587","","10.1021/om100877d","","","0.71073","MoKα","","0.0541","0.0474","","","0.1104","0.114","","","","","","1","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067256","11.254","0.006","26.606","0.015","11.419","0.006","90","","117.865","0.006","90","","3023","3","150","2","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H97 N4 O2 Si8 U2 -","- C38 H97.44 N4 O2 Si8 U2 -","- C76 H194.88 N8 O4 Si16 U4 -","2","1","","Hayes, Cassandra E.; Leznoff, Daniel B.","Diamido-Ether Uranium(IV) Alkyl Complexes as Single-Component Ethylene Polymerization Catalysts","Organometallics","2010","29","4","767","","10.1021/om900546p","","","0.71073","MoKα","","0.0657","0.0489","","0.0666","0.0556","0.0548","","","","","","1.1596","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067320","13.646","0.0003","20.5189","0.0005","14.4588","0.0004","90","","108.891","0.001","90","","3830.41","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Cl2 N4 Zr -","- C42 H50 Cl2 N4 Zr -","- C168 H200 Cl8 N16 Zr4 -","4","2","","El-Zoghbi, Ibrahim; Latreche, Saïda; Schaper, Frank","Zirconium Complexes of Symmetric and of Chiral Diketiminate Ligands: Synthesis, Crystal Structures, and Reactivities","Organometallics","2010","29","7","1551","","10.1021/om900852y","","","1.54178","CuKα","","0.0265","0.0247","","","0.0644","0.0654","","","","","","1.029","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067322","13.5011","0.0018","9.1289","0.0011","15.1108","0.0018","90","","95.413","0.007","90","","1854.1","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C42 H49 Cl N4 Zr -","- C42 H49 Cl N4 Zr -","- C84 H98 Cl2 N8 Zr2 -","2","1","","El-Zoghbi, Ibrahim; Latreche, Saïda; Schaper, Frank","Zirconium Complexes of Symmetric and of Chiral Diketiminate Ligands: Synthesis, Crystal Structures, and Reactivities","Organometallics","2010","29","7","1551","","10.1021/om900852y","","","1.54178","CuKα","","0.0576","0.0502","","","0.1274","0.1313","","","","","","0.793","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067348","10.4469","0.0001","26.1761","0.0004","12.5727","0.0002","90","","111.436","0.001","90","","3200.29","0.08","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H77 O5 P2 Ru2 -","- C73 H76 O5 P2 Ru2 -","- C146 H152 O10 P4 Ru4 -","2","1","","Huang, Yu-Hao; Huang, Wen-Wu; Lin, Ying-Chih; Huang, Shou-Ling","Carbon−Carbon Bond Formation between Furyl and Triphenylphosphine Ligands in Ruthenium Complexes","Organometallics","2010","29","1","38","","10.1021/om900882c","","","0.71073","MoKα","","0.0827","0.057","","","0.1354","0.1625","","","","","","1.098","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067438","10.0546","0.0004","13.1269","0.0005","13.0716","0.0005","90","","110.007","0.002","90","","1621.15","0.11","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl6 N P Pd Ru -","- C29 H32 Cl6 N P Pd Ru -","- C58 H64 Cl12 N2 P2 Pd2 Ru2 -","2","1","","Luo, Ding; Li, Yongxin; Pullarkat, Sumod A.; Cockle, Kirsty E.; Leung, Pak-Hing","Syntheses of Bimetallic Zwitterionic Complexes Containing Stereogenic Bifunctionalized Phosphine through Stepwise Insertion and Hydration Reactions","Organometallics","2010","29","4","893","","10.1021/om900958p","","","0.71073","MoKα","","0.0216","0.02","","","0.0464","0.0471","","","","","","1.032","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067441","10.2816","0.0002","13.3428","0.0003","10.4877","0.0002","90","","108.825","0.001","90","","1361.8","0.05","273","2","273","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H32 Cl2 N O P Pd Ru -","- C28 H32 Cl2 N O P Pd Ru -","- C56 H64 Cl4 N2 O2 P2 Pd2 Ru2 -","2","1","","Luo, Ding; Li, Yongxin; Pullarkat, Sumod A.; Cockle, Kirsty E.; Leung, Pak-Hing","Syntheses of Bimetallic Zwitterionic Complexes Containing Stereogenic Bifunctionalized Phosphine through Stepwise Insertion and Hydration Reactions","Organometallics","2010","29","4","893","","10.1021/om900958p","","","0.71073","MoKα","","0.0272","0.023","","","0.0489","0.0546","","","","","","1.084","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067451","11.8958","0.0005","18.4288","0.0007","19.8714","0.0008","90","","100.883","0.001","90","","4278","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H32 O10 Os3 P2 S2 -","- C40 H32 O10 Os3 P2 S2 -","- C160 H128 O40 Os12 P8 S8 -","4","2","","Persson, Roger; Stchedroff, Marc J.; Uebersezig, Bettina; Gobetto, Roberto; Steed, Jonathan W.; Prince, Paul D.; Monari, Magda; Nordlander, Ebbe","Synthesis, Characterization, and Novel Fluxional Mechanisms of Triosmium Clusters Containing the Highly Flexible Ligand Ph2PC2H4SC2H4SC2H4PPh2(PSSP)","Organometallics","2010","29","10","2223","","10.1021/om900966c","","","0.71069","MoKα","","0.0954","0.0422","","","0.067","0.0754","","","","","","0.72","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067481","10.0011","0.0002","12.1287","0.0004","14.506","0.0004","90","","102.074","0.002","90","","1720.66","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 P Se Zr -","- C18 H25 P Se Zr -","- C72 H100 P4 Se4 Zr4 -","4","2","","Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias","Ambiphilic Reactivity of a Phosphane-Functionalized Cycloheptatrienyl−Cyclopentadienyl Zirconium Sandwich Complex","Organometallics","2010","29","3","671","","10.1021/om9009763","","","0.71073","MoKα","","0.0431","0.0293","","","0.0417","0.0427","","","","","","0.823","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067540","18.074","0.003","7.0906","0.0007","18.197","0.003","90","","110.189","0.017","90","","2188.8","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl F4 N O2 Si -","- C21 H24 Cl F4 N O2 Si -","- C84 H96 Cl4 F16 N4 O8 Si4 -","4","2","","Tacke, Reinhold; Nguyen, Binh; Burschka, Christian; Lippert, W. Peter; Hamacher, Alexandra; Urban, Christian; Kassack, Matthias U.","Sila-Trifluperidol, a Silicon Analogue of the Dopamine (D2) Receptor Antagonist Trifluperidol: Synthesis and Pharmacological Characterization","Organometallics","2010","29","7","1652","","10.1021/om901011t","","","0.71073","MoKα","","0.0701","0.0444","","","0.1055","0.1194","","","","","","0.991","","","","has coordinates,has disorder","178566","2020-10-21","18:00:00",""
"4067549","7.8808","0.0003","17.5757","0.0006","13.2885","0.0005","90","","90.282","0.0015","90","","1840.58","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn{C(Me2pz)3}Cl","","- C16 H21 Cl N6 Zn -","- C16 H21 Cl N6 Zn -","- C64 H84 Cl4 N24 Zn4 -","4","2","","Cushion, Michael G.; Meyer, Jens; Heath, Alex; Schwarz, Andrew D.; Fernández, Ignacio; Breher, Frank; Mountford, Philip","Syntheses and Structural Diversity of Group 2 and Group 12 Tris(pyrazolyl)methaneand Zwitterionic Tris(pyrazolyl)methanideCompounds","Organometallics","2010","29","5","1174","","10.1021/om901013b","","","0.71073","MoKα","","0.0856","0.0703","","0.0819","0.0721","0.0721","","","","","","1.0785","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067604","10.528","0.003","13.111","0.003","15.884","0.004","90","","100.194","0.004","90","","2157.9","1","123.1","","123.1","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H61 Cl4 N2 O2 P Ru -","- C42 H61 Cl4 N2 O2 P Ru -","- C84 H122 Cl8 N4 O4 P2 Ru2 -","2","1","","Mutoh, Yuichiro; Kozono, Naoki; Araki, Miho; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium Atom Transfer to a Terminal Carbido Ligand","Organometallics","2010","29","3","519","","10.1021/om901029w","","","0.7107","MoKα","","","0.0523","","","","0.143","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067696","12.0416","0.0002","17.7556","0.0003","13.8627","0.0002","90","","97.955","0.001","90","","2935.4","0.08","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H78 Mg2 N6 Si6 -","- C48 H78 Mg2 N6 Si6 -","- C96 H156 Mg4 N12 Si12 -","2","1","","Forret, Robert; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D.","Multistep Self-Assembly of Heteroleptic Magnesium and Sodium−Magnesium Benzamidinate Complexes","Organometallics","2010","29","6","1436","","10.1021/om9010824","","","0.71073","MoKα","","0.038","0.0322","","","0.0779","0.0795","","","","","","1.013","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067698","14.2642","0.0007","14.093","0.0005","23.4523","0.0009","90","","92.232","0.004","90","","4710.9","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H77 Mg N6 Na Si4 -","- C33 H77 Mg N6 Na Si4 -","- C132 H308 Mg4 N24 Na4 Si16 -","4","2","","Forret, Robert; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D.","Multistep Self-Assembly of Heteroleptic Magnesium and Sodium−Magnesium Benzamidinate Complexes","Organometallics","2010","29","6","1436","","10.1021/om9010824","","","0.71073","MoKα","","0.1009","0.0622","","","0.1313","0.1411","","","","","","0.918","","","","has coordinates,has disorder","178567","2020-10-21","18:00:00",""
"4067732","15.933","0.003","9.88","0.002","18.665","0.004","90","","107.97","0.03","90","","2794.9","1.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H90 Si15 -","- C30 H90 Si15 -","- C60 H180 Si30 -","2","1","","Wallner, Andreas; Hlina, Johann; Konopa, Tina; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Flörke, Ulrich","Cyclic and Bicyclic Methylpolysilanes and Some Oligosilanylene-Bridged Derivatives","Organometallics","2010","29","12","2660","","10.1021/om901104h","","","0.71073","MoKα","","0.0741","0.0576","","","0.1266","0.1325","","","","","","0.984","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067758","16.0406","0.0014","10.8168","0.0009","56.512","0.005","90","","90.539","0.001","90","","9804.8","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O -","- C35 H36 N2 O -","- C490 H504 N28 O14 -","14","7","","Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon","Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands","Organometallics","2010","29","7","1729","","10.1021/om901112n","","","0.71073","MoKα","","0.1757","0.0555","","","0.0884","0.123","","","","","","0.841","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067761","10.4422","0.0009","11.988","0.001","15.3266","0.0013","90","","93.832","0.001","90","","1914.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H32 Cl N2 Rh -","- C19 H32 Cl N2 Rh -","- C76 H128 Cl4 N8 Rh4 -","4","2","","Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon","Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands","Organometallics","2010","29","7","1729","","10.1021/om901112n","","","0.71073","MoKα","","0.0265","0.026","","","0.0649","0.0652","","","","","","1.035","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067816","6.1016","0.0012","25.623","0.005","10.717","0.002","90","","96.53","0.03","90","","1664.6","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H43 Cl N4 O Pt -","- C36 H43 Cl N4 O Pt -","- C72 H86 Cl2 N8 O2 Pt2 -","2","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0508","0.047","","","0.1311","0.1375","","","","","","1.083","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067894","10.9415","0.0007","27.5346","0.0018","12.2533","0.0005","90","","101.981","0.004","90","","3611.1","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H39 Cl2 O Zr -","- C43 H39 Cl2 O Zr -","- C172 H156 Cl8 O4 Zr4 -","4","2","","Manz, Thomas A.; Caruthers, James M.; Sharma, Shalini; Phomphrai, Khamphee; Thomson, Kendall T.; Delgass, W. Nicholas; Abu-Omar, Mahdi M.","Structure‒Activity Correlation for Relative Chain Initiation to Propagation Rates in Single-Site Olefin Polymerization Catalysis","Organometallics","2012","31","2","602","","10.1021/om200884x","","","0.71073","MO-Kα","","0.075","0.056","","","0.131","0.142","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067920","11.4734","0.0006","12.8132","0.0005","11.7879","0.0007","90","","96.587","0.002","90","","1721.51","0.15","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl N2 O2 Pt -","- C18 H15 Cl N2 O2 Pt -","- C72 H60 Cl4 N8 O8 Pt4 -","4","2","","Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.","Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation","Organometallics","2012","31","1","306","","10.1021/om200922a","","","0.71073","MoKα","","0.0598","0.0442","","","0.0989","0.1077","","","","","","1.031","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067973","9.925","0.0006","23.8454","0.0015","22.0595","0.0013","90","","99.647","0.003","90","","5146.9","0.5","193","2","193","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C52 H71 As Ge O2 -","- C52 H71 As Ge O2 -","- C208 H284 As4 Ge4 O8 -","4","2","","Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie","Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)","Organometallics","2012","31","3","930","","10.1021/om200968x","","x-ray","0.71073","MoKα","","0.1283","0.0966","","","0.2415","0.2627","","","","","","1.096","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4068042","10.908","0.002","17.524","0.004","13.362","0.003","90","","101.36","0.03","90","","2504.1","1","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H78 B22 Hg2 N2 O -","- C33 H78 B22 Hg2 N2 O -","- C66 H156 B44 Hg4 N4 O2 -","2","1","","Himmelspach, Alexander; Sprenger, Jan A. P.; Warneke, Jonas; Zähres, Manfred; Finze, Maik","Mercury(II) Complexes of the Carba-closo-dodecaboranyl Ligands [closo-1-CB11X11]2‒(X = H, F, Cl, Br, I)","Organometallics","2012","31","4","1566","","10.1021/om201023h","","","0.71073","MoKα","","0.0459","0.037","","","0.0952","0.1177","","","","","","1.082","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068051","10.491","0.003","20.997","0.004","11.263","0.003","90","","90.03","0.03","90","","2481","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 Cl N2 Pd -","- C28.839 H27 Cl1.161 N2 Pd -","- C115.356 H108 Cl4.644 N8 Pd4 -","4","2","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0656","0.0429","","","0.0901","0.0957","","","","","","0.916","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068062","9.9589","0.0004","28.2374","0.0015","13.0891","0.0007","90","","110.598","0.002","90","","3445.5","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H48 N2 Ni O P2 -","- C37 H48 N2 Ni O P2 -","- C148 H192 N8 Ni4 O4 P8 -","4","2","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.2418","0.1134","","","0.1944","0.2566","","","","","","1.024","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068093","12.55564","0.00015","14.24537","0.00018","14.6874","0.0002","90","","98.7154","0.0012","90","","2596.65","0.06","180.15","","180.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 B N2 O2 -","- C27 H39 B N2 O2 -","- C108 H156 B4 N8 O8 -","4","2","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","1.5418","CuKα","","0.0494","0.044","","","0.1214","0.1264","","","","","","1.031","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4068164","10.7172","0.0006","10.5334","0.0006","11.1932","0.0006","90","","107.629","0.002","90","","1204.24","0.12","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H B F20 -","- C25 H B F20 -","- C50 H2 B2 F40 -","2","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0491","0.038","","","0.1133","0.125","","","","","","0.904","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068171","12.375","0.004","22.094","0.006","13.627","0.004","90","","97.067","0.008","90","","3697.5","1.9","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H63 Cl2 N3 Pd -","- C37 H63 Cl2 N3 Pd -","- C148 H252 Cl8 N12 Pd4 -","4","2","","Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver","Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis","Organometallics","2012","31","3","1127","","10.1021/om201166b","","","0.71073","MoKα","","0.1094","0.0707","","","0.1337","0.1493","","","","","","2.02","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068172","7.5914","0.0001","24.8688","0.0005","11.7953","0.0002","90","","105.369","0.001","90","","2147.19","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H63 Cl4 N3 Pd -","- C42 H63 Cl4 N3 Pd -","- C84 H126 Cl8 N6 Pd2 -","2","1","","Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver","Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis","Organometallics","2012","31","3","1127","","10.1021/om201166b","","","0.71073","MoKα","","0.0392","0.0332","","","0.088","0.1008","","","","","","1.142","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068321","9.4184","0.0002","9.1764","0.0002","30.1753","0.0004","90","","92.537","0.001","90","","2605.4","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H31 O5 Re -","- C29 H31 O5 Re -","- C116 H124 O20 Re4 -","4","2","","Top, Siden; Thibaudeau, Céline; Vessières, Anne; Brulé, Emilie; Le Bideau, Franck; Joerger, Jean-Michel; Plamont, Marie-Aude; Samreth, Soth; Edgar, Alan; Marrot, Jérôme; Herson, Patrick; Jaouen, Gérard","Synthesis and Structure Activity Relationship of Organometallic Steroidal Androgen Derivatives","Organometallics","2009","28","5","1414","","10.1021/om800698y","","","0.71073","MoKα","","0.073","0.0505","","","0.107","0.1162","","","","","","0.964","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068388","13.2256","0.0002","15.7831","0.0003","13.3389","0.0002","90","","119.527","0.0007","90","","2422.74","0.07","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H70 I2 N5 O P2 Rh -","- C45 H70 I2 N5 O P2 Rh -","- C90 H140 I4 N10 O2 P4 Rh2 -","2","1","","Kossoy, Elizaveta; Rybtchinski, Boris; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Milstein, David","Structure and Reactivity of Rhodium(I) Complexes Based on Electron-Withdrawing Pyrrolyl-PCP-Pincer Ligands","Organometallics","2009","28","2","523","","10.1021/om800792y","","","0.71073","MoKα","","0.0424","0.0317","","","0.0654","0.0691","","","","","","1.142","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068457","9.8801","0.0013","15.8666","0.0015","12.4541","0.0009","90","","98.608","0.008","90","","1930.4","0.3","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 Mn O5 S -","- C21 H15 Mn O5 S -","- C84 H60 Mn4 O20 S4 -","4","2","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Chavarot-Kerlidou, Murielle; Gérard, Hélène","A Simple Route to Keto-Substituted (η5-Cyclohexadienyl)Mn(CO)3Complexes Using Organomanganese Transmetalation: Structural and Theoretical Characterizations","Organometallics","2009","28","3","925","","10.1021/om800863t","","","0.71073","MoKα","","0.1018","0.0334","","0.0705","0.0294","0.0294","","","","","","1.1517","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068503","11.438","0.002","20.166","0.004","14.17","0.003","90","","113.8","","90","","2990.5","1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59.5 H53 Cl3 O2.5 Os P3 -","- C59.5 H53 Cl3 O2.5 Os P3 -","- C119 H106 Cl6 O5 Os2 P6 -","2","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping","Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex","Organometallics","2009","28","4","1101","","10.1021/om800907v","","","0.71073","MoKα","","0.0507","0.0484","","","0.1266","0.1284","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068507","11.4819","0.0018","20.3","0.003","14.12","0.002","90","","113.61","0.002","90","","3015.6","0.8","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H51 Br2 Cl2 O Os P3 -","- C60 H51 Br2 Cl2 O Os P3 -","- C120 H102 Br4 Cl4 O2 Os2 P6 -","2","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping","Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex","Organometallics","2009","28","4","1101","","10.1021/om800907v","","","0.71073","MoKα","","0.0613","0.052","","","0.1293","0.1326","","","","","","1","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068522","8.1602","0.0013","17.039","0.003","8.3283","0.0013","90","","116.735","0.003","90","","1034.2","0.3","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 Cl U -","- C21 H33 Cl U -","- C42 H66 Cl2 U2 -","2","1","","Dietrich, H. Martin; Ziller, Joseph W.; Anwander, Reiner; Evans, William J.","Reactivity of (C5Me5)2UMe2and (C5Me5)2UMeCl toward Group 13 Alkyls","Organometallics","2009","28","4","1173","","10.1021/om800914w","","","0.71073","MoKα","","0.0338","0.0286","","","0.068","0.0719","","","","","","1.07","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068533","9.6992","0.0003","15.181","0.0005","10.9048","0.0003","90","","103.784","0.001","90","","1559.42","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cl4 O2 P2 Pd -","- C30 H30 Cl4 O2 P2 Pd -","- C60 H60 Cl8 O4 P4 Pd2 -","2","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Ma, Mengtao; Zhang, Yi; Huang, Yinhua; Li, Yongxin; Goel, Akash; Leung, Pak-Hing","Asymmetric Synthesis of Functionalized 1,2-Diphosphine via the Chemoselective Hydrophosphination of Coordinated Allylic Phosphines","Organometallics","2009","28","3","780","","10.1021/om8009188","","","0.71073","MoKα","","0.0285","0.0265","","","0.0693","0.075","","","","","","1.075","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068556","7.7595","0.0004","10.3099","0.0007","9.034","0.0005","90","","92.098","0.004","90","","722.23","0.07","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 F6 N4 P -","- C12 H9 F6 N4 P -","- C24 H18 F12 N8 P2 -","2","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Synthesis and Characterization of Nitrile-Functionalized N-Heterocyclic Carbenes and Their Complexes of Silver(I) and Rhodium(I)","Organometallics","2009","28","3","853","","10.1021/om8009377","","","0.71073","MoKα","","0.1087","0.0504","","","0.1079","0.1362","","","","","","1.038","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068578","10.723","0.002","13.155","0.003","11.469","0.002","90","","100.74","0.03","90","","1589.5","0.6","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 Zr -","- C34 H54 Zr -","- C68 H108 Zr2 -","2","1","","Klahn, Marcus; Baumann, Wolfgang; Arndt, Perdita; Burlakov, Vladimir V.; Schareina, Thomas; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Characterization of Chiral Group 4 Metallocene Alkyne Complexes: (η5-menthyl-C5H4)2M(η2-Me3SiC2SiMe3), M = Ti, Zr⊥","Organometallics","2009","28","3","915","","10.1021/om8009624","","","0.71073","MoKα","","0.0199","0.0182","","","0.0434","0.0436","","","","","","0.995","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068642","8.4842","0.0005","9.1856","0.0006","20.6402","0.0013","90","","97.463","0.001","90","","1594.92","0.17","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H40 I N2 O3 Rh S -","- C32 H40 I N2 O3 Rh S -","- C64 H80 I2 N4 O6 Rh2 S2 -","2","1","","Blacker, A. John; Duckett, Simon B.; Grace, Jake; Perutz, Robin N.; Whitwood, Adrian C.","Reactivity, Structures, and NMR Spectroscopy of Half-Sandwich Pentamethylcyclopentadienyl Rhodium Amido Complexes Relevant to Transfer Hydrogenation","Organometallics","2009","28","5","1435","","10.1021/om8009969","","","0.71073","MoKα","","0.0272","0.0248","","","0.0585","0.0663","","","","","","1.09","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068647","7.717","0.0006","15.73","0.0011","9.0033","0.0008","90","","96.142","0.003","90","","1086.62","0.15","180","2","180","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Fe O P -","- C27 H25 Fe O P -","- C54 H50 Fe2 O2 P2 -","2","1","","Boulho, Cédric; Keys, Tracy; Coppel, Yannick; Vendier, Laure; Etienne, Michel; Locati, Abel; Bessac, Fabienne; Maseras, Feliu; Pantazis, Dimitrios A.; McGrady, John E.","C−C Coupling Constants,JCC, Are Reliable Probes for α-C−C Agostic Structures","Organometallics","2009","28","4","940","","10.1021/om800999a","","","","MoKα","","0.0429","0.0332","","","0.0588","0.0617","","","","","","0.971","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068661","10.448","0.002","12.092","0.004","11.143","0.002","90","","95.29","0.02","90","","1401.8","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl2 N2 Te2 -","- C30 H28 Cl2 N2 Te2 -","- C60 H56 Cl4 N4 Te4 -","2","1","","Kaur, Rupinder; Menon, Saija C.; Panda, Snigdha; Singh, Harkesh B.; Patel, Rajan P.; Butcher, Ray J.","Facile Cleavage of Organochalcogen Hybrid (NEEN, NEN, EN, where E = Se or Te) Ligand C−E and E−E Bonds by Pd(II)","Organometallics","2009","28","8","2363","","10.1021/om801015e","","","0.7107","MoKα","","0.079","0.0645","","0.1903","0.1719","","","","0.795","0.806","0.806","","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068736","9.9937","0.0006","18.6424","0.0011","10.6535","0.0006","90","","116.085","0.001","90","","1782.65","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[k1-(Ph2PCH2CH2OPh)2Cl2Pd]","","- C40 H38 Cl2 O2 P2 Pd -","- C40 H38 Cl2 O2 P2 Pd -","- C80 H76 Cl4 O4 P4 Pd2 -","2","1","","Ulmann, Pirmin A.; Mirkin, Chad A.; DiPasquale, Antonio G.; Liable-Sands, Louise M.; Rheingold, Arnold L.","Reversible Ligand Pairing and Sorting Processes Leading to Heteroligated Palladium(II) Complexes with Hemilabile Ligands","Organometallics","2009","28","4","1068","","10.1021/om801060m","","","0.71073","MoKα","","0.0281","0.0245","","","0.0559","0.0583","","","","","","1.01","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068740","9.1111","0.0012","15.673","0.002","9.8009","0.0013","90","","111.017","0.009","90","","1306.4","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O -","- C32 H30 N2 O -","- C64 H60 N4 O2 -","2","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0448","0.0423","","","0.0993","0.1009","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068742","11.986","0.002","15.98","0.003","15.163","0.003","90","","103.363","0.003","90","","2825.6","0.9","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H42 N6 Ti -","- C28 H42 N6 Ti -","- C112 H168 N24 Ti4 -","4","2","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0568","0.0491","","","0.1239","0.1298","","","","","","1.043","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068743","11.8758","0.0013","16.0956","0.0015","15.2689","0.0015","90","","102.17","0.004","90","","2853","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H42 N6 Zr -","- C28 H42 N6 Zr -","- C112 H168 N24 Zr4 -","4","2","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0562","0.0449","","","0.0957","0.102","","","","","","1.017","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068744","11.0556","0.0019","25.058","0.004","13.143","0.002","90","","101.197","0.004","90","","3571.7","1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H84 N6 O2 P2 Zr -","- C86 H84 N6 O2 P2 Zr -","- C172 H168 N12 O4 P4 Zr2 -","2","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0469","0.0403","","","0.0859","0.0927","","","","","","1.034","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068746","16.1953","0.0015","10.9013","0.001","21.0798","0.0019","90","","97.104","0.003","90","","3693.1","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87.25 H92 N6 O2 Ti -","- C87.25 H92 N6 O2 Ti -","- C174.5 H184 N12 O4 Ti2 -","2","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0916","0.07","","","0.173","0.1874","","","","","","1.03","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4068748","9.7049","0.0007","27.5572","0.0015","9.9989","0.0007","90","","107.221","0.003","90","","2554.2","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H70 N6 O2 Ti -","- C56 H70 N6 O2 Ti -","- C112 H140 N12 O4 Ti2 -","2","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0431","0.035","","","0.0793","0.0827","","","","","","0.96","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068749","9.6839","0.0016","28.265","0.004","9.8979","0.0017","90","","107.223","0.008","90","","2587.7","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H70 N6 O2 Zr -","- C56 H70 N6 O2 Zr -","- C112 H140 N12 O4 Zr2 -","2","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0738","0.0573","","","0.1193","0.1428","","","","","","1.018","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068751","10.4823","0.001","15.516","0.0015","10.8442","0.001","90","","109.119","0.002","90","","1666.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H42 Cl Fe2 Ir N2 -","- C41 H42 Cl Fe2 Ir N2 -","- C82 H84 Cl2 Fe4 Ir2 N4 -","2","1","","Metallinos, Costa; Du, Xiangdong","Neutral and Cationic Iridium(I) Complexes Bearing Chiral Phenanthroline-Derived Benzimidazolylidenes: Synthetic, Structural, and Catalytic Studies","Organometallics","2009","28","4","1233","","10.1021/om801063w","","","0.71073","MoKα","","0.042","0.0335","","","0.0775","0.0814","","","","","","1.056","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068814","8.5934","0.0003","17.8502","0.0006","10.5847","0.0003","90","","113.32","0.002","90","","1490.99","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H37 Br Cl Ir O10 P2 -","- C21 H37 Br Cl Ir O10 P2 -","- C42 H74 Br2 Cl2 Ir2 O20 P4 -","2","1","","Pelczar, Elizabeth M.; Munro-Leighton, Colleen; Gagné, Michel R.","Oxidative Addition of Glycosylbromides totrans-Ir(PMe3)2(CO)Cl","Organometallics","2009","28","3","663","","10.1021/om8011135","","","0.71073","MoKα","","0.095","0.0848","","","0.2239","0.2321","","","","","","1.057","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068869","10.711","0.002","20.301","0.004","10.963","0.002","90","","91.88","0.03","90","","2382.6","0.8","180","","180","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl N2 Nb O2 -","- C22 H28 Cl N2 Nb O2 -","- C88 H112 Cl4 N8 Nb4 O8 -","4","2","","Despagnet-Ayoub, Emmanuelle; Schigand, Sophie; Vendier, Laure; Etienne, Michel","Amine−Phenolate Ligands in Niobium Chemistry: π-Interactions Probed by an Ancillary Alkyne Ligand","Organometallics","2009","28","7","2188","","10.1021/om801139m","","","0.71073","MoKα","","0.0558","0.0433","","","0.1009","0.1083","","","","","","0.962","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068881","7.6326","0.0005","10.2472","0.0004","15.0234","0.0004","90","","91.011","0.004","90","","1174.84","0.09","208","2","208","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H24 F6 N4 O P Rh -","- C22 H24 F6 N4 O P Rh -","- C44 H48 F12 N8 O2 P2 Rh2 -","2","1","","Dzik, Wojciech I.; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Activation of Carbon Monoxide by (Me3tpa)Rh and (Me3tpa)Ir","Organometallics","2009","28","6","1631","","10.1021/om801142y","","","0.71073","MoKα","","0.0281","0.0266","","0.0799","0.0792","0.0799","","","1.255","","","1.255","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068894","10.2668","0.0002","39.5599","0.0006","10.3939","0.0002","90","","92.417","0.002","90","","4217.76","0.13","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H44 P2 -","- C58 H44 P2 -","- C232 H176 P8 -","4","2","","Doherty, Simon; Smyth, Catherine H.; Harriman, Anthony; Harrington, Ross W.; Clegg, William","Can a Butadiene-Based Architecture Compete with its Biaryl Counterpart in Asymmetric Catalysis? Enantiopure Me-CATPHOS, a Remarkably Efficient Ligand for Asymmetric Hydrogenation","Organometallics","2009","28","3","888","","10.1021/om801145v","","","1.54178","CuKα","","0.0595","0.0511","","","0.1246","0.1296","","","","","","1.039","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068895","11.6252","0.0003","22.6983","0.0004","11.7098","0.0003","90","","104.729","0.002","90","","2988.36","0.12","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H58 B Cl6 F4 P2 Rh -","- C68 H58 B Cl6 F4 P2 Rh -","- C136 H116 B2 Cl12 F8 P4 Rh2 -","2","1","","Doherty, Simon; Smyth, Catherine H.; Harriman, Anthony; Harrington, Ross W.; Clegg, William","Can a Butadiene-Based Architecture Compete with its Biaryl Counterpart in Asymmetric Catalysis? Enantiopure Me-CATPHOS, a Remarkably Efficient Ligand for Asymmetric Hydrogenation","Organometallics","2009","28","3","888","","10.1021/om801145v","","","0.71073","MoKα","","0.0507","0.0387","","","0.0904","0.0936","","","","","","1.031","","","","has coordinates,has disorder","178578","2020-10-21","18:00:00",""
"4068906","8.214","0.0016","22.253","0.005","8.355","0.0017","90","","93.05","0.03","90","","1525","0.6","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H47 B F4 N O2 P2 Rh -","- C27 H47 B F4 N O2 P2 Rh -","- C54 H94 B2 F8 N2 O4 P4 Rh2 -","2","1","","Gaviglio, Carina; Ben-David, Yehoshoa; Shimon, Linda J. W.; Doctorovich, Fabio; Milstein, David","Synthesis, Structure, and Reactivity of Nitrosyl Pincer-Type Rhodium Complexes","Organometallics","2009","28","6","1917","","10.1021/om8011536","","","0.71073","MoKα","","0.0608","0.0514","","","0.1234","0.1297","","","","","","1.092","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4068929","8.1036","0.0016","18.364","0.004","9.85","0.002","90","","108.81","0.03","90","","1387.5","0.6","153","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 Li N2 -","- C14 H22 Li N2 -","- C56 H88 Li4 N8 -","4","2","","Andrews, Philip C.; Koutsaplis, Magdaline; Robertson, Evan G.","Thermodynamically Favored Anion Rearrangements in Li and Na Complexes of (S)-N-α-(Methylbenzyl)allylamine","Organometallics","2009","28","6","1697","","10.1021/om801165e","","","0.71073","MoKα","","0.1504","0.0929","","","0.2198","0.2572","","","","","","1.031","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069017","9.6088","0.0002","41.1341","0.0006","10.4629","0.0002","90","","91.581","0.001","90","","4133.88","0.13","110","2","110","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H36 Cl2 F6 N O2 P3 Pd -","- C45 H36 Cl2 F6 N O2 P3 Pd -","- C180 H144 Cl8 F24 N4 O8 P12 Pd4 -","4","2","","Wassenaar, Jeroen; van Zutphen, Steven; Mora, Guilhem; Le Floch, Pascal; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.","INDOLPhosphole and INDOLPhos Palladium−Allyl Complexes in Asymmetric Allylic Alkylations","Organometallics","2009","28","9","2724","","10.1021/om801204a","","","0.71073","MoKα","","0.0433","0.033","","","0.0555","0.0581","","","","","","1.055","","","","has coordinates,has disorder","178507","2020-10-21","18:00:00",""
"4069104","9.2787","0.0017","11.947","0.002","13.284","0.002","90","","92.332","0.004","90","","1471.3","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","ligand 1b","","","- C34 H38 N2 P2 -","- C34 H38 N2 P2 -","- C68 H76 N4 P4 -","2","1","","Ranocchiari, Marco; Mezzetti, Antonio","PNNP Macrocycles: A New Class of Ligands for Asymmetric Catalysis","Organometallics","2009","28","5","1286","","10.1021/om900028w","","","0.71073","MoKα","","0.0541","0.0421","","","0.0689","0.0724","","","","","","0.885","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069105","17.0214","0.001","10.1901","0.0006","18.4792","0.0011","90","","105.423","0.001","90","","3089.8","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","[RuCl2(PNNP)]","","","- C34 H34 Cl2 N2 P2 Ru -","- C34 H34 Cl2 N2 P2 Ru -","- C136 H136 Cl8 N8 P8 Ru4 -","4","2","","Ranocchiari, Marco; Mezzetti, Antonio","PNNP Macrocycles: A New Class of Ligands for Asymmetric Catalysis","Organometallics","2009","28","5","1286","","10.1021/om900028w","","","0.71073","MoKα","","0.0426","0.0398","","","0.0961","0.0975","","","","","","1.089","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069149","9.7105","0.0005","24.3161","0.0013","11.9075","0.0004","90","","111.368","0.003","90","","2618.3","0.2","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 Mg O4 -","- C26 H38 Mg O4 -","- C104 H152 Mg4 O16 -","4","2","","Langer, Jens; Krieck, Sven; Fischer, Reinald; Görls, Helmar; Walther, Dirk; Westerhausen, Matthias","1,4-Dioxane Adducts of Grignard Reagents: Synthesis, Ether Fragmentation Reactions, and Structural Diversity of Grignard Reagent/1,4-Dioxane Complexes","Organometallics","2009","28","19","5814","","10.1021/om9000567","","","0.71073","MoKα","","0.124","0.0599","","","0.1093","0.1328","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069270","9.6996","0.0011","16.8433","0.0018","11.5092","0.0014","90","","108.55","0.003","90","","1782.6","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H59 N2 O V -","- C38 H59 N2 O V -","- C76 H118 N4 O2 V2 -","2","1","","Adhikari, Debashis; Basuli, Falguni; Orlando, Justin H.; Gao, Xinfeng; Huffman, John C.; Pink, Maren; Mindiola, Daniel J.","Zwitterionic and Cationic Titanium and Vanadium Complexes Having Terminal M−C Multiple Bonds. The Role of the β-Diketiminate Ligand in Formation of Charge-Separated Species","Organometallics","2009","28","14","4115","","10.1021/om900115v","","","0.71073","MoKα","","0.084","0.0542","","","0.1108","0.1192","","","","","","0.877","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069362","10.2286","0.0012","18.145","0.002","19.724","0.002","90","","104.636","0.002","90","","3541.9","0.7","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H33 Cl N3 O7 P Pt -","- C36 H27 Cl N3 O7 P Pt -","- C144 H108 Cl4 N12 O28 P4 Pt4 -","4","2","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia","Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes","Organometallics","2009","28","12","3501","","10.1021/om9001582","","","0.71073","MoKα","","0.0826","0.0576","","","0.0981","0.1072","","","","","","0.964","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069375","10.522","0.005","9.264","0.004","18.163","0.008","90","","104.415","0.005","90","","1714.7","1.3","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","Amino Titanium","Amino Titanium","","- C32 H62 N6 Ti -","- C32 H62 N6 Ti -","- C64 H124 N12 Ti2 -","2","1","","Sun, Jia-Feng; Chen, Shu-Jian; Duan, Yuxi; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and Characterization of Group 4 Amidinate Amide Complexes M[CyNC(Me)NCy]2(NR2)2(R = Me, M = Ti, Zr, Hf; R = Et, M = Zr)","Organometallics","2009","28","10","3088","","10.1021/om900162b","","","0.71073","MoKα","","0.0314","0.0309","","","0.0864","0.0874","","","","","","0.502","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069498","10.8574","0.0005","7.565","0.0003","12.5158","0.0006","90","","115.054","0.002","90","","931.28","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 -","- C21 H26 N2 -","- C42 H52 N4 -","2","1","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","1.54178","CuKα","","0.0513","0.0486","","","0.1341","0.1366","","","","","","1.049","","","","has coordinates,has disorder","178583","2020-10-21","18:00:00",""
"4069503","16.3922","0.0008","19.2373","0.0009","18.4203","0.0012","90","","115.838","0.001","90","","5228","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H35 Cu N4 -","- C28 H35 Cu N4 -","- C224 H280 Cu8 N32 -","8","4","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","1.54178","CuKα","","0.0992","0.0607","","","0.1641","0.1751","","","","","","0.995","","","","has coordinates,has disorder","178584","2020-10-21","18:00:00",""
"4069611","8.25","0.003","20.859","0.004","9.051","0.003","90","","110.62","0.03","90","","1457.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl4 N2 Pd -","- C33 H26 Cl4 N2 Pd -","- C66 H52 Cl8 N4 Pd2 -","2","1","","Axet, M. Rosa; Amoroso, Francesco; Bottari, Giovanni; D’Amora, Angela; Zangrando, Ennio; Faraone, Felice; Drommi, Dario; Saporita, Maria; Carfagna, Carla; Natanti, Paolo; Seraglia, Roberta; Milani, Barbara","Application of Chiral Amine-Imine Ligands in Palladium-Catalyzed Polyketone Synthesis: Effect of Ligand Backbone on the Polymer Stereochemistry","Organometallics","2009","28","15","4464","","10.1021/om900300w","","","0.71073","MoKα","","0.144","0.0621","","","0.1353","0.16","","","","","","0.822","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069614","9.3756","0.0003","12.9176","0.0004","9.6967","0.0003","90","","96.159","0.001","90","","1167.59","0.06","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H31 B Cl Fe N O Sn -","- C23 H31 B Cl Fe N O Sn -","- C46 H62 B2 Cl2 Fe2 N2 O2 Sn2 -","2","1","","Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Jäkle, Frieder","Resolution of Planar-Chiral Ferrocenylborane Lewis Acids: The Impact of Steric Effects on the Stereoselective Binding of Ephedrine Derivatives","Organometallics","2009","28","14","4141","","10.1021/om900303j","","","1.54178","CuKα","","0.0233","0.0232","","","0.0553","0.0554","","","","","","1.04","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069616","8.3731","0.0003","18.8436","0.0006","8.9477","0.0003","90","","104.492","0.001","90","","1366.84","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H35 B Cl3 Fe N O Sn -","- C25 H35 B Cl3 Fe N O Sn -","- C50 H70 B2 Cl6 Fe2 N2 O2 Sn2 -","2","1","","Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Jäkle, Frieder","Resolution of Planar-Chiral Ferrocenylborane Lewis Acids: The Impact of Steric Effects on the Stereoselective Binding of Ephedrine Derivatives","Organometallics","2009","28","14","4141","","10.1021/om900303j","","","1.54178","CuKα","","0.0242","0.0239","","","0.0528","0.0529","","","","","","1.111","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069617","10.5287","0.0002","13.8844","0.0002","21.2409","0.0003","90","","102.925","0.001","90","","3026.42","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H41 B Cl Fe N O Sn -","- C31 H41 B Cl Fe N O Sn -","- C124 H164 B4 Cl4 Fe4 N4 O4 Sn4 -","4","2","","Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Jäkle, Frieder","Resolution of Planar-Chiral Ferrocenylborane Lewis Acids: The Impact of Steric Effects on the Stereoselective Binding of Ephedrine Derivatives","Organometallics","2009","28","14","4141","","10.1021/om900303j","","","1.54178","CuKα","","0.0453","0.0444","","","0.1058","0.1065","","","","","","1.032","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069630","10.0359","0.0011","17.318","0.002","13.0347","0.0016","90","","95.2","0.005","90","","2256.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H45 N2 O6 P3 Pd -","- C49 H45 N2 O6 P3 Pd -","- C98 H90 N4 O12 P6 Pd2 -","2","1","","Siu, Paul W.; Gates, Derek P.","HL2[P(1,2-O2C6H4)3] (L = DMSO or DMF): A Convenient Proton Source with a Weakly Basic Phosphorus(V) Anion","Organometallics","2009","28","15","4491","","10.1021/om9003187","","","0.71069","MoKα","","0.0262","0.0245","","","0.0612","0.0621","","","","","","1.042","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069631","10.03","0.002","17.331","0.003","13.073","0.003","90","","95.079","0.007","90","","2263.6","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H45 N2 O6 P3 Pd -","- C49 H45 N2 O6 P3 Pd -","- C98 H90 N4 O12 P6 Pd2 -","2","1","","Siu, Paul W.; Gates, Derek P.","HL2[P(1,2-O2C6H4)3] (L = DMSO or DMF): A Convenient Proton Source with a Weakly Basic Phosphorus(V) Anion","Organometallics","2009","28","15","4491","","10.1021/om9003187","","","0.71069","MoKα","","0.0238","0.0216","","","0.0508","0.0518","","","","","","1.032","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069640","10.1227","0.001","20.0704","0.0019","20.0116","0.0019","90","","99.168","0.002","90","","4013.8","0.7","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","[CpRu(naphthalene)]D-TRISPHAT + CH2Cl2","h5-Cyclopentadienyl-h6-naphthalene-ruthenium(II) delta-TRISPHAT dichloromethane solvate","","- C34 H15 Cl14 O6 P Ru -","- C34 H15 Cl14 O6 P Ru -","- C136 H60 Cl56 O24 P4 Ru4 -","4","2","","Hintermann, Lukas; Xiao, Li; Labonne, Aurélie; Englert, Ulli","[CpRu(η6-naphthalene)]PF6as Precursor in Complex Synthesis and Catalysis with the Cyclopentadienyl-Ruthenium(II) Cation","Organometallics","2009","28","19","5739","","10.1021/om900333t","","x-ray","0.71073","MoKα","","0.0316","0.0286","","","0.0651","0.0662","","","","","","1.03","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069671","8.9294","0.0011","12.6172","0.0016","10.8903","0.0014","90","","112.285","0.002","90","","1135.3","0.2","152","2","152","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ru-benzyl","","","- C24 H39 P Ru -","- C24 H39 P Ru -","- C48 H78 P2 Ru2 -","2","1","","Hayes, Paul G.; Waterman, Rory; Glaser, Paul B.; Tilley, T. Don","Synthesis, Structure, and Reactivity of Neutral Hydrogen-Substituted Ruthenium Silylene and Germylene Complexes","Organometallics","2009","28","17","5082","","10.1021/om900348m","","","0.71073","MoKα","","0.0278","0.0264","","","0.0593","0.06","","","","","","0.996","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069697","9.887","0.002","16.178","0.003","10.307","0.002","90","","114.51","0.003","90","","1500.1","0.5","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C30 H35 Co2 Mo2 O7 P -","- C30 H35 Co2 Mo2 O7 P -","- C60 H70 Co4 Mo4 O14 P2 -","2","1","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 5. Heterometallic Clusters Derived from the Neutral Complex [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)]","Organometallics","2009","28","15","4385","","10.1021/om900361w","","x-ray","0.71073","MoKα","","0.0404","0.0338","","","0.0708","0.0734","","","","","","1.089","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069714","7.474","0.003","12.64","0.003","14.163","0.005","90","","100.076","0.018","90","","1317.4","0.8","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl2 F8 Rh2 -","- C28 H20 Cl2 F8 Rh2 -","- C56 H40 Cl4 F16 Rh4 -","2","1","","Nishimura, Takahiro; Ichikawa, Yoshitaka; Hayashi, Tamio; Onishi, Naoya; Shiotsuki, Masashi; Masuda, Toshio","Asymmetric Polymerization of Achiral Arylacetylenes Giving Helical Polyacetylenes in the Presence of a Rhodium Catalyst with aC2-Symmetric Tetrafluorobenzobarrelene Ligand","Organometallics","2009","28","16","4890","","10.1021/om9003797","","","0.71075","MoKα","","","0.0225","","","","0.0748","","","","","","0.678","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069789","10.6258","0.0005","13.5761","0.0006","17.612","0.0008","90","","94.466","0.001","90","","2532.9","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","1b, (dippe)Pt(CF3CCPh)","","","- C23 H37 F3 P2 Pt -","- C23 H37 F3 P2 Pt -","- C92 H148 F12 P8 Pt4 -","4","2","","Gunay, Ahmet; Müller, Christian; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.","Reactivity Differences of Pt0Phosphine Complexes in C−C Bond Activation of Asymmetric Acetylenes","Organometallics","2009","28","22","6524","","10.1021/om900413a","","","0.71073","MoKα","","0.0199","0.0192","","","0.0428","0.043","","","","","","1.074","","","","has coordinates,has disorder","178586","2020-10-21","18:00:00",""
"4069835","12.603","0.001","14.75","0.001","18.403","0.001","90","","98.653","0.006","90","","3382.1","0.4","120","2","120","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C59.25 H82.5 Cl2.5 F12 N2 O4 P2 Ru2 Si2 -","- C59.25 H82.5 Cl2.5 F12 N2 O4 P2 Ru2 Si2 -","- C118.5 H165 Cl5 F24 N4 O8 P4 Ru4 Si4 -","2","1","","Zhang, Hui-Jun; Demerseman, Bernard; Toupet, Loïc; Xi, Zhenfeng; Bruneau, Christian","Ruthenium-Catalyzed Nucleophilic Allylic Substitution Reactions from β-Silylated Allylic Carbonates","Organometallics","2009","28","17","5173","5182","10.1021/om900437m","","","0.71073","MoKα","","0.0448","0.042","","","0.1156","0.1177","","","","","","1.045","","","","has coordinates","210314","2020-10-21","18:00:00",""
"4069938","12.9282","0.0003","14.3909","0.0005","18.0915","0.0005","90","","93.106","0.002","90","","3360.95","0.17","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C60 H108 O2 Si2 Sm2 -","- C60 H108 O2 Si2 Sm2 -","- C120 H216 O4 Si4 Sm4 -","2","1","","Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers","Organometallics","2009","28","20","5896","","10.1021/om900520h","","x-ray","0.71073","MoKα","","0.092","0.055","","","0.1305","0.1473","","","","","","1.062","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4069968","12.4091","0.0014","16.2562","0.0019","12.4153","0.0014","90","","90.277","0.002","90","","2504.4","0.5","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H79 Fe Li O3 -","- C54 H79 Fe Li O3 -","- C108 H158 Fe2 Li2 O6 -","2","1","","Ni, Chengbao; Long, Gary J.; Power, Philip P.","Transition Metal Acetylide Rearrangement and Coupling Induced by Coordinative Unsaturation","Organometallics","2009","28","17","5012","","10.1021/om900542j","","","0.71073","MoKα","","0.0433","0.0398","","","0.1019","0.1038","","","","","","1.055","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069994","15.208","0.0005","12.2549","0.0004","15.6961","0.0005","90","","112.536","0.002","90","","2701.94","0.16","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C62 H46 Cl6 O2 S Si2 -","- C62 H46 Cl6 O2 S Si2 -","- C124 H92 Cl12 O4 S2 Si4 -","2","1","","Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Group 4 Post-metallocene Complexes Incorporating Tridentate Silyl-Substituted Bis(naphthoxy)pyridine and Bis(naphthoxy)thiophene Ligands: Probing Systems for “Oscillating” Olefin Polymerization Catalysis","Organometallics","2009","28","17","5036","","10.1021/om900550s","","x-ray","0.71073","MoKα","","0.0556","0.0468","","","0.1026","0.1086","","","","","","1.019","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4070046","6.6265","0.0005","5.8852","0.0005","12.9436","0.0011","90","","101.236","0.005","90","","495.1","0.07","99","2","99","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H17 N O2 Si -","- C7 H17 N O2 Si -","- C14 H34 N2 O4 Si2 -","2","1","","Falgner, Steffen; Burschka, Christian; Wagner, Stephan; Böhm, Andreas; Daiss, Jürgen O.; Tacke, Reinhold","Asymmetric Synthesis of the Nonproteinogenic Silicon-Containing α-Amino Acids (R)- and (S)-α-[(Trimethylsilyl)methyl]alanine","Organometallics","2009","28","20","6059","6066","10.1021/om900583d","","","0.71073","MoKα","","0.0387","0.0324","","","0.0745","0.0773","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070048","6.6007","0.0003","10.4204","0.0005","11.2738","0.0005","90","","100.312","0.003","90","","762.91","0.06","97","2","97","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H24 O4 Si -","- C12 H24 O4 Si -","- C24 H48 O8 Si2 -","2","1","","Falgner, Steffen; Burschka, Christian; Wagner, Stephan; Böhm, Andreas; Daiss, Jürgen O.; Tacke, Reinhold","Asymmetric Synthesis of the Nonproteinogenic Silicon-Containing α-Amino Acids (R)- and (S)-α-[(Trimethylsilyl)methyl]alanine","Organometallics","2009","28","20","6059","6066","10.1021/om900583d","","","0.71073","MoKα","","0.0373","0.0303","","","0.0754","0.0793","","","","","","1.073","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070151","10.377","0.003","9.083","0.003","14.618","0.004","90","","103.493","0.003","90","","1339.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 N4 O2 Yb -","- C31 H29 N4 O2 Yb -","- C62 H58 N8 O4 Yb2 -","2","1","","Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng","Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands","Organometallics","2009","28","21","6320","","10.1021/om900631j","","","0.71073","MoKα","","0.0418","0.0396","","","0.1069","0.1115","","","","","","1.716","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070152","10.386","0.004","9.051","0.003","14.676","0.005","90","","103.635","0.004","90","","1340.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 Er N4 O2 -","- C31 H29 Er N4 O2 -","- C62 H58 Er2 N8 O4 -","2","1","","Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng","Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands","Organometallics","2009","28","21","6320","","10.1021/om900631j","","","0.71073","MoKα","","0.0424","0.0403","","","0.106","0.1075","","","","","","1.039","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070153","10.391","0.005","9.065","0.004","14.741","0.007","90","","103.854","0.005","90","","1348.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 N4 O2 Y -","- C31 H29 N4 O2 Y -","- C62 H58 N8 O4 Y2 -","2","1","","Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng","Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands","Organometallics","2009","28","21","6320","","10.1021/om900631j","","","0.71073","MoKα","","0.0583","0.0468","","","0.1129","0.1166","","","","","","0.979","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070240","15.724","0.009","12.999","0.006","19.596","0.006","90","","91.63","0.03","90","","4004","3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H47 Cl7 N2 O2 Pd -","- C34 H47 Cl7 N2 O2 Pd -","- C136 H188 Cl28 N8 O8 Pd4 -","4","2","","Winkelmann, Ole H.; Riekstins, Andrei; Nolan, Steven P.; Navarro, Oscar","A Comparative Study on (NHC)Pd(acac)Cl Complexes (NHC = N-heterocyclic carbene): Indications for the Origin of the Different Reactivity of Saturated and Unsaturated NHC in Cross-Coupling Reactions","Organometallics","2009","28","19","5809","","10.1021/om900677v","","","0.71075","MoKα","","0.0604","0.0422","","","0.0978","0.1109","","","","","","1.081","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070446","10.103","0.003","15.864","0.005","10.819","0.003","90","0.0019","96.499","0.002","90","0.0019","1722.9","0.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H41 Au Cl Fe4 P -","- C40 H41 Au Cl Fe4 P -","- C80 H82 Au2 Cl2 Fe8 P2 -","2","1","","Okazaki, Masaaki; Yoshimura, Ken-ichi; Takano, Masato; Ozawa, Fumiyuki","Redox-Active Phosphorus Ligands Bearing a [4Fe−4C] Core Substituent","Organometallics","2009","28","24","7055","","10.1021/om900811u","","x-ray","0.7107","MoKα","","0.0193","0.0185","","","0.0427","0.0431","","","","","","0.914","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070454","10.515","0.002","9.491","0.002","19.317","0.004","90","","94.02","0.04","90","","1923.1","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","Gandelman-26","","","- C40 H35 Cl N3 O P2 Pt -","- C40 H35 Cl N3 O P2 Pt -","- C80 H70 Cl2 N6 O2 P4 Pt2 -","2","1","","Schuster, Elaine M.; Botoshansky, Mark; Gandelman, Mark","Versatile, Selective, and Switchable Coordination Modes of Pincer Click Ligands","Organometallics","2009","28","24","7001","","10.1021/om900827g","","","0.71073","MoKα","","0.1494","0.0771","","","0.1699","0.1978","","","","","","0.977","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070481","10.9094","0.0003","6.8118","0.0001","11.5925","0.0003","90","","101.755","0.0012","90","","843.4","0.03","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N Zr -","- C21 H21 N Zr -","- C42 H42 N2 Zr2 -","2","1","","Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.","A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)","Organometallics","2009","28","24","7041","","10.1021/om900847y","","","0.71073","MoKα","","0.0287","0.0266","","","0.063","0.0645","","","","","","1.054","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070569","7.9288","0.0002","15.1703","0.0004","10.52","0.0002","90","","99.605","0.002","90","","1247.63","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 Cl4 N2 P2 Pt -","- C19 H30 Cl4 N2 P2 Pt -","- C38 H60 Cl8 N4 P4 Pt2 -","2","1","","Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang","Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP","Organometallics","2008","27","2","218","","10.1021/om700755y","","","0.71073","MoKα","","0.0479","0.0429","","","0.1019","0.1043","","","","","","1.051","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070570","7.9252","0.0001","15.1396","0.0003","10.4448","0.0002","90","","99.015","0.001","90","","1237.73","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 Cl4 N2 P2 Pd -","- C19 H30 Cl4 N2 P2 Pd -","- C38 H60 Cl8 N4 P4 Pd2 -","2","1","","Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang","Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP","Organometallics","2008","27","2","218","","10.1021/om700755y","","","0.71073","MoKα","","0.0338","0.0317","","","0.0794","0.0807","","","","","","1.023","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070575","5.195","0.005","9.58","0.009","41.29","0.04","90","","90","0.018","90","","2055","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 S4 -","- C20 H16 N4 S4 -","- C80 H64 N16 S16 -","4","2","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.0948","0.0862","","","0.2298","0.243","","","","","","1.154","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070603","17.094","0.006","12.559","0.007","22.155","0.012","90","","112.038","0.014","90","","4409","4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H32 Ge I N Si -","- C17 H32 Ge I N Si -","- C136 H256 Ge8 I8 N8 Si8 -","8","4","","Strohmann, Carsten; Däschlein, Christian","Synthesis of a Highly Enantiomerically Enriched Silagermane and Selective Cleavage of the Si−Ge Bond with Lithium","Organometallics","2008","27","11","2499","","10.1021/om700848z","","","0.71073","MoKα","","0.0647","0.0531","","","0.1274","0.1338","","","","","","1.069","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070662","10.634","0.0001","12.053","0.0002","11.28","0.0002","90","","110.466","0.001","90","","1354.52","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H40 N4 O3 Ru -","- C25 H40 N4 O3 Ru -","- C50 H80 N8 O6 Ru2 -","2","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0304","0.0254","","","0.0533","0.0551","","","","","","1.058","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070664","10.602","0.0002","12.062","0.0002","11.393","0.0002","90","","110.069","0.001","90","","1368.49","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H40 N4 O5 Ru -","- C50 H80 N8 O10 Ru2 -","- C50 H80 N8 O10 Ru2 -","1","0.5","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0291","0.0249","","","0.0544","0.056","","","","","","1.079","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070729","8.8703","0.001","19.895","0.002","10.231","0.0011","90","","114.08","0.001","90","","1648.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H51 Al N2 O2 Si -","- C32 H51 Al N2 O2 Si -","- C64 H102 Al2 N4 O4 Si2 -","2","1","","Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi","Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions","Organometallics","2008","27","4","769","","10.1021/om700969g","","","0.71073","MoKα","","0.0482","0.0337","","","0.0778","0.0856","","","","","","1.03","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070736","9.447","0.002","12.565","0.003","11.38","0.003","90","","91.994","0.004","90","","1350","0.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H46 Al N O Si2 -","- C23 H46 Al N O Si2 -","- C46 H92 Al2 N2 O2 Si4 -","2","1","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0398","0.0304","","","0.069","0.0724","","","","","","0.999","","","","has coordinates","209848","2020-10-21","18:00:00",""
"4070738","10.134","0.004","17.794","0.007","10.376","0.004","90","","112.011","0.006","90","","1734.7","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H59 Li2 N O3 Si2 -","- C31 H59 Li2 N O3 Si2 -","- C62 H118 Li4 N2 O6 Si4 -","2","1","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0764","0.056","","","0.1093","0.1192","","","","","","1.026","","","","has coordinates","209848","2020-10-21","18:00:00",""
"4070772","12.4944","0.0004","24.3224","0.0008","20.9102","0.0007","90","","91.612","0.001","90","","6352","0.4","396","2","396","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ir(IAd)(COD)Cl]","","","- C32.5 H46.5 Cl4 Ir N2 -","- C32.5 H46.5 Cl4 Ir N2 -","- C260 H372 Cl32 Ir8 N16 -","8","4","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0315","0.0298","","","0.0763","0.0779","","","","","","0.915","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070788","10.0783","0.0008","14.8443","0.001","11.2553","0.001","90","","95.166","0.007","90","","1677","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H53 N3 O2 Si2 Sr -","- C27 H53 N3 O2 Si2 Sr -","- C54 H106 N6 O4 Si4 Sr2 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0465","0.0377","","","0.0831","0.0872","","","","","","1.003","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070791","10.0714","0.0008","14.8719","0.0009","11.2287","0.0009","90","","95.272","0.006","90","","1674.7","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H53 Eu N3 O2 Si2 -","- C27 H53 Eu N3 O2 Si2 -","- C54 H106 Eu2 N6 O4 Si4 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0239","0.0207","","","0.0528","0.0536","","","","","","1.003","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070792","9.981","0.0005","14.7544","0.0011","11.2266","0.0007","90","","96.299","0.005","90","","1643.29","0.18","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H53 N3 O2 Si2 Yb -","- C27 H53 N3 O2 Si2 Yb -","- C54 H106 N6 O4 Si4 Yb2 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0609","0.0555","","","0.1638","0.168","","","","","","1.034","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070826","8.8927","0.0015","14.556","0.003","9.4158","0.0017","90","","107.08","0.003","90","","1165","0.4","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C56 H54 N6 O2 -","2","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.71073","MoKα","","0.0552","0.042","","","0.1001","0.1124","","","","","","1.09","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070843","13.467","0.003","13.713","0.003","14.322","0.003","90","","101.286","0.003","90","","2593.7","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H83 B N2 Os P2 -","- C55 H83 B N2 Os P2 -","- C110 H166 B2 N4 Os2 P4 -","2","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Puerta, Marta","Abnormal and Normal N-Heterocyclic Carbene Osmium Polyhydride Complexes Obtained by Direct Metalation of Imidazolium Salts","Organometallics","2008","27","3","445","","10.1021/om7010722","","","0.71073","MoKα","","0.0337","0.0296","","","0.0564","0.0573","","","","","","0.931","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070862","7.362","0.0004","12.5244","0.0007","21.2886","0.0011","90","","92.984","0.001","90","","1960.25","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(eta6-acetophenone)Ru(eta5-C5Me4CH2OH)]PF6","","- C36 H46 F12 O4 P2 Ru2 -","- C36 H46 F12 O4 P2 Ru2 -","- C72 H92 F24 O8 P4 Ru4 -","2","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0798","0.0442","","","0.0952","0.1042","","","","","","1.001","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070865","7.134","0.0006","12.2235","0.001","15.9461","0.0012","90","","94.372","0.001","90","","1386.49","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(S)-[eta5-{2-(((C5Me4)methoxy)methyl)-1-methylpyrrolidinium}Ru(C6H6)][PF6]2","","- C22 H33 F12 N O P2 Ru -","- C22 H33 F12 N O P2 Ru -","- C44 H66 F24 N2 O2 P4 Ru2 -","2","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0411","0.0337","","","0.0756","0.0784","","","","","","1.031","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070881","11.278","0.002","14.443","0.003","13.142","0.003","90","","102.8","0.01","90","","2087.5","0.7","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","(R,Rp)-1d","","","- C43 H37 Cl5 Fe P2 Pd -","- C43 H37 Cl5 Fe P2 Pd -","- C86 H74 Cl10 Fe2 P4 Pd2 -","2","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0611","0.0626","","","","","","1.027","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070882","11.566","0.003","11.258","0.003","15.813","0.005","90","","98.68","0.01","90","","2035.4","1","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","(S,Rp)-1d","","","- C43 H37 Cl5 Fe P2 Pd -","- C43 H37 Cl5 Fe P2 Pd -","- C86 H74 Cl10 Fe2 P4 Pd2 -","2","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0229","0.0212","","","0.0515","0.0521","","","","","","1.002","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070909","7.7412","0.0006","10.9198","0.0008","14.3413","0.001","90","","103.896","0.001","90","","1176.82","0.15","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 Cr O4 Si -","- C23 H32 Cr O4 Si -","- C46 H64 Cr2 O8 Si2 -","2","1","","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality","Organometallics","2008","27","5","900","","10.1021/om701117r","","","0.71073","MoKα","","0.0508","0.0508","","","0.1123","0.1123","","","","","","1.398","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070910","9.0373","0.0013","10.5947","0.0015","25.708","0.004","90","","96.084","0.002","90","","2447.6","0.6","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 Cr O6 Si -","- C24 H32 Cr O6 Si -","- C96 H128 Cr4 O24 Si4 -","4","2","","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality","Organometallics","2008","27","5","900","","10.1021/om701117r","","","0.71073","MoKα","","0.0743","0.0631","","","0.113","0.1173","","","","","","1.077","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070983","7.8806","0.0001","11.5719","0.0002","30.8273","0.0005","90","","92.077","0.0009","90","","2809.4","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Cr N O7 -","- C30 H27 Cr N O7 -","- C120 H108 Cr4 N4 O28 -","4","2","","Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil","Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium","Organometallics","2008","27","8","1850","","10.1021/om701188p","","","0.71073","MoKα","","0.045","0.0375","","","0.0835","0.0885","","","","","","1.051","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070988","8.5176","0.0003","19.9843","0.0007","10.2846","0.0004","90","","98.502","0.002","90","","1731.39","0.11","100","2","100","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C33 H55 Ca N O4 Si2 -","- C33 H55 Ca N O4 Si2 -","- C66 H110 Ca2 N2 O8 Si4 -","2","1","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0297","0.0274","","","0.0674","0.0686","","","","","","1.039","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071003","7.7764","0.0006","17.402","0.0013","9.3814","0.0007","90","","91.409","0.001","90","","1269.15","0.17","293","2","293","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C19 H27 F6 I2 Ir N3 O2 P -","- C19 H27 F6 I2 Ir N3 O2 P -","- C38 H54 F12 I4 Ir2 N6 O4 P2 -","2","1","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","0.71073","MoKα","","0.0309","0.0294","","","0.0711","0.0717","","","","","","1.013","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071004","8.2524","0.0005","16.0006","0.001","9.4409","0.0006","90","","91.441","0.005","90","","1246.21","0.13","293","2","293","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl F6 Ir N3 O2 P -","- C20 H28 Cl F6 Ir N3 O2 P -","- C40 H56 Cl2 F12 Ir2 N6 O4 P2 -","2","1","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","1.5418","CuKα","","0.0339","0.0311","","","0.0698","0.0712","","","","","","1.074","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071005","10.1512","0.0002","11.4196","0.0002","12.8731","0.0004","90","","98.977","0.001","90","","1474","0.06","150","2","150","2","","","","","","","synthesis","9","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl3 F6 Ir N3 O3 P Tl -","- C20 H29 Cl3 F6 Ir N3 O3 P Tl -","- C40 H58 Cl6 F12 Ir2 N6 O6 P2 Tl2 -","2","1","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","1.5418","CuKα","","0.0507","0.0485","","","0.1221","0.1268","","","","","","1.05","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071034","10.458","0.002","26.418","0.005","10.945","0.002","90","","115.69","0.003","90","","2725","0.9","230","1","293","1","","","","","","","","6","P 1 21 1","P 2yb","4","Moris-73 (Sinay)","","","- C20 H41 Li N4 O Si2 -","- C20 H41 Li N4 O Si2 -","- C80 H164 Li4 N16 O4 Si8 -","4","2","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.1159","0.051","","","0.1123","0.1307","","","","","","0.952","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071044","11.438","0.002","20.166","0.004","14.17","0.003","90","","113.8","","90","","2990.5","1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59.5 H53 Cl3 O2.5 Os P3 -","- C59.5 H53 Cl3 O2.5 Os P3 -","- C119 H106 Cl6 O5 Os2 P6 -","2","1","","Gong, Lei; Lin, Yumei; He, Guomei; Zhang, Hong; Wang, Huijuan; Wen, Ting Bin; Xia, Haiping","Synthesis and Characterization of an Air-Stablep-Osmaphenol","Organometallics","2008","27","3","309","","10.1021/om7012265","","","0.71073","MoKα","","0.0503","0.0479","","","0.1222","0.1238","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071095","9.7487","0.0003","9.9464","0.0007","10.4269","0.0006","90","","91.709","0.003","90","","1010.59","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 O2 P Ru -","- C21 H21 Cl2 O2 P Ru -","- C42 H42 Cl4 O4 P2 Ru2 -","2","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.0432","0.0302","","","0.0576","0.0614","","","","","","0.826","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071096","9.364","0.001","15.414","0.002","9.544","0.002","90","","93.54","0.01","90","","1374.9","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H28 Cl F6 N O2 P2 Ru -","- C27 H28 Cl F6 N O2 P2 Ru -","- C54 H56 Cl2 F12 N2 O4 P4 Ru2 -","2","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.0262","0.022","","","0.0443","0.0452","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071102","8.3438","0.0001","36.4734","0.0004","11.8353","0.0001","90","","105.148","0.0004","90","","3476.65","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H43 Br N2 O2 -","- C42 H43 Br N2 O2 -","- C168 H172 Br4 N8 O8 -","4","2","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0593","0.0434","","","0.0872","0.0955","","","","","","1.013","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071161","19.346","0.005","11.282","0.003","30.018","0.007","90","","102.351","0.005","90","","6400","3","133","","133","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl2 Sn -","- C20 H34 Cl2 Sn -","- C240 H408 Cl24 Sn12 -","12","6","","Beckmann, Jens; Duthie, Andrew; Grassmann, Marian; Semisch, Annetta","Optically Active Organotin Compounds Derived from β-Pinene. The Quest for Chiral Polystannanes†","Organometallics","2008","27","7","1495","","10.1021/om8000026","","","0.71073","MoKα","","0.0833","0.0508","","","0.1016","0.115","","","","","","1.014","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071193","8.6509","0.0017","19.449","0.004","9.4379","0.0019","90","","116.13","0.03","90","","1425.6","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 I P Pd -","- C33 H34 I P Pd -","- C66 H68 I2 P2 Pd2 -","2","1","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.0346","0.0243","","","0.0422","0.0441","","","","","","1.009","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071210","11.335","0.004","10.597","0.003","12.796","0.004","90","","94.356","0.005","90","","1532.6","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H42 Si4 Ti -","- C27 H42 Si4 Ti -","- C54 H84 Si8 Ti2 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.119","0.0681","","","0.0844","0.0952","","","","","","0.834","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071228","9.3062","0.0006","10.7212","0.0007","12.1508","0.0007","90","","94.122","0.003","90","","1209.19","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H43 Cl Ir P3 Si -","- C17 H43 Cl Ir P3 Si -","- C34 H86 Cl2 Ir2 P6 Si2 -","2","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0317","0.0261","","","0.0446","0.046","","","","","","1.034","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071286","11.234","0.0017","11.493","0.003","15.8389","0.0013","90","","103.231","0.004","90","","1990.7","0.6","123","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","[RhCl(1,5-COD)(phosphoramidite)]","","","- C45 H44 Cl3 N O2 P Rh -","- C45 H44 Cl3 N O2 P Rh -","- C90 H88 Cl6 N2 O4 P2 Rh2 -","2","1","","Filipuzzi, Serena; Männel, Elisabeth; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia; Veiros, Luis F.","Multinuclear NMR, X-ray, and DFT Studies on RhCl(diene)(phosphoramidite) Complexes","Organometallics","2008","27","18","4580","","10.1021/om800082c","","","0.71073","MoKα","","0.0402","0.0355","","","0.0875","0.0905","","","","","","1.046","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071338","14.0682","0.0013","12.4225","0.0011","14.9801","0.0014","90","","102.862","0.001","90","","2552.3","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H44 Cl6 P2 Pd -","- C58 H44 Cl6 P2 Pd -","- C116 H88 Cl12 P4 Pd2 -","2","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels‒Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0375","0.0349","","","0.095","0.0982","","","","","","1.077","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071339","14.0757","0.0012","12.4304","0.001","14.9485","0.0012","90","","102.585","0.001","90","","2552.6","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H44 Cl6 P2 Pt -","- C58 H44 Cl6 P2 Pt -","- C116 H88 Cl12 P4 Pt2 -","2","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels‒Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0325","0.0258","","","0.0581","0.062","","","","","","1.098","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071353","12.117","0.0008","10.836","0.0007","14.5802","0.0009","90","","111.287","0.006","90","","1783.8","0.2","180","","180","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl5 N5 Ti -","- C35 H38 Cl5 N5 Ti -","- C70 H76 Cl10 N10 Ti2 -","2","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.1011","0.0736","","","0.1895","0.2093","","","","","","1.016","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071398","9.65602","0.0001","14.95694","0.0001","10.48788","0.0001","90","","112.479","0.0012","90","","1399.62","0.02","123","","150","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C32 H31 Br P2 Ru -","- C32 H31 Br P2 Ru -","- C64 H62 Br2 P4 Ru2 -","2","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","1.5418","CuKα","","0.0173","0.0168","","","0.0425","0.0426","","","","","","1.081","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071399","8.4821","0.0015","15.0654","0.0008","11.0948","0.0008","90","","91.851","0.009","90","","1417","0.3","150","","150","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C32 H31 I P2 Ru -","- C32 H31 I P2 Ru -","- C64 H62 I2 P4 Ru2 -","2","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","0.71073","MoKα","","0.0303","0.0244","","","0.0476","0.0482","","","","","","0.97","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071432","12.381","0.005","14.88","0.003","13.831","0.004","90","","98.11","0.03","90","","2522.6","1.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H61 B11 Ir N O2 P2 Sn -","- C46 H61 B11 Ir N O2 P2 Sn -","- C92 H122 B22 Ir2 N2 O4 P4 Sn2 -","2","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.0338","0.0296","","","0.0559","0.057","","","","","","1.083","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071508","9.9231","0.0006","17.3758","0.0011","9.9311","0.0006","90","","105.171","0.001","90","","1652.66","0.18","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H53 N O2 Zr -","- C33 H53 N O2 Zr -","- C66 H106 N2 O4 Zr2 -","2","1","","Gott, Andrew L.; Clarke, Adam J.; Clarkson, Guy J.; Munslow, Ian J.; Wade, Andrew R.; Scott, Peter","Single Diastereomer Half-Sandwich Salicyloxazoline Complexes of Titanium and Zirconium","Organometallics","2008","27","12","2706","","10.1021/om8002027","","","0.71073","MoKα","","0.0899","0.0502","","","0.0721","0.082","","","","","","0.916","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071575","11.311","0.002","4.6196","0.0009","15.981","0.003","90","","98.687","0.004","90","","825.5","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 I N2 Pt -","- C16 H21 I N2 Pt -","- C32 H42 I2 N4 Pt2 -","2","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.06","0.0524","","","0.0905","0.0928","","","","","","1.018","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071577","9.975","0.002","8.3934","0.0019","14.854","0.003","90","","104.246","0.004","90","","1205.4","0.4","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N P Pt -","- C26 H25 I N P Pt -","- C52 H50 I2 N2 P2 Pt2 -","2","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0343","0.0322","","","0.0777","0.0788","","","","","","1.018","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071657","9.0768","0.0007","8.3752","0.0006","13.2634","0.0009","90","","95.86","0.001","90","","1003.01","0.13","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H25 F6 O2 P Ru -","- C17 H25 F6 O2 P Ru -","- C34 H50 F12 O4 P2 Ru2 -","2","1","","Gruber, Stefan; Zaitsev, Alexey B.; Wörle, Michael; Pregosin, Paul S.; Veiros, Luis F.","Facile Ruthenium(IV)-Catalyzed Single and Double Allylation of Indole Compounds using Alcohols as Substrates: Aspects of Ruthenium(IV) Allyl Chemistry","Organometallics","2008","27","15","3796","","10.1021/om800295z","","","0.71073","MoKα","","0.0558","0.035","","","0.069","0.0744","","","","","","1.018","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071716","5.7888","0.0002","13.1587","0.0006","11.1799","0.0005","90","","103.979","0.002","90","","826.39","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 Ni -","- C22 H20 Ni -","- C44 H40 Ni2 -","2","1","","Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław","Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water","Organometallics","2008","27","14","3618","","10.1021/om800329u","","","0.71073","MoKα","","0.0485","0.0373","","","0.0848","0.0892","","","","","","1.051","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071746","8.2807","0.0006","14.1531","0.001","11.5174","0.0009","90","","106.646","0.002","90","","1293.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Ir O P2 -","- C27 H35 Ir O P2 -","- C54 H70 Ir2 O2 P4 -","2","1","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.0991","0.0559","","","0.1075","0.127","","","","","","1.06","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071765","9.8972","0.0008","12.5566","0.0007","9.3093","0.0007","90","","90.261","0.007","90","","1156.9","0.14","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 Mo2 N S4 -","- C21 H25 Mo2 N S4 -","- C42 H50 Mo4 N2 S8 -","2","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.0589","0.0317","","","0.056","0.0616","","","","","","0.862","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071771","8.2595","0.0003","10.3127","0.0005","8.5719","0.0004","90","","90.38","0.002","90","","730.12","0.06","99","2","99","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 Co Si2 -","- C14 H20 Co Si2 -","- C28 H40 Co2 Si4 -","2","1","","Braunschweig, Holger; Breher, Frank; Kaupp, Martin; Gross, Manuela; Kupfer, Thomas; Nied, Dominik; Radacki, Krzysztof; Schinzel, Sandra","Synthesis, Crystal Structure, EPR and DFT Studies, and Redox Properties of [2]Tetramethyldisilacobaltocenophane","Organometallics","2008","27","24","6427","","10.1021/om8003724","","","0.71073","MoKα","","0.0195","0.018","","","0.0519","0.0626","","","","","","1.197","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071845","7.722","0.0001","13.556","0.0003","13.251","0.0003","90","","91.012","0.0009","90","","1386.89","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 Ru2 -","- C36 H34 N2 Ru2 -","- C72 H68 N4 Ru4 -","2","1","","Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel","Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer","Organometallics","2008","27","22","5852","","10.1021/om800420r","","","0.71073","MoKα","","0.0326","0.0292","","","0.0583","0.0596","","","","","","1.032","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071866","6.0186","0.0012","32.173","0.006","12.237","0.003","90","","94.131","0.009","90","","2363.4","0.9","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O2 Pd -","- C22 H31 I N2 O2 Pd -","- C88 H124 I4 N8 O8 Pd4 -","4","2","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54184","CuKα","","0.1307","0.0784","","","0.1515","0.1759","","","","","","1.015","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071867","5.901","0.003","32.739","0.019","18.306","0.01","90","","95.539","0.009","90","","3520","3","60","2","60","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46.5 I1.5 N3 Ni1.5 O3 -","- C33 H46.5 I1.5 N3 Ni1.5 O3 -","- C132 H186 I6 N12 Ni6 O12 -","4","2","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","0.71073","MoKα","","0.0626","0.0413","","","0.0761","0.0842","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071868","9.478","0.006","21.389","0.013","11.315","0.007","90","","95.246","0.008","90","","2284","2","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O2 -","- C22 H31 I N2 O2 -","- C88 H124 I4 N8 O8 -","4","2","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","0.71073","MoKα","","0.0618","0.0461","","","0.0862","0.0906","","","","","","1.019","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071898","8.196","0.008","9.418","0.01","12.004","0.007","90","","93.13","0.06","90","","925.2","1.4","293","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 -","- C20 H28 N2 -","- C40 H56 N4 -","2","1","","Grisi, Fabia; Costabile, Chiara; Gallo, Emanuela; Mariconda, Annaluisa; Tedesco, Consiglia; Longo, Pasquale","Ruthenium-Based Complexes Bearing Saturated Chiral N-Heterocyclic Carbene Ligands: Dynamic Behavior and Catalysis","Organometallics","2008","27","18","4649","","10.1021/om800459y","","","0.71069","MoKα","","0.1767","0.0515","","","0.0448","0.0502","","","","","","1.702","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071906","8.1156","0.0004","16.984","0.001","11.5882","0.0006","90","","111.984","0.002","90","","1481.12","0.14","277.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H30 O4 S2 -","- C34 H30 O4 S2 -","- C68 H60 O8 S4 -","2","1","","Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki","Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction","Organometallics","2008","27","18","4788","","10.1021/om800464y","","","0.7107","MoKα","","","0.0472","","","","0.1167","","","","","","1.432","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071918","9.43","0.0011","9.3303","0.0011","9.6272","0.0012","90","","90.282","0.002","90","","847.04","0.18","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 N4 -","- C22 H18 N4 -","- C44 H36 N8 -","2","1","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.035","0.033","","","0.0843","0.0855","","","","","","1.037","","","","has coordinates","210315","2020-10-21","18:00:00",""
"4071928","14.9825","0.0003","15.8754","0.0003","19.5854","0.0004","90","","93.752","0.001","90","","4648.46","0.16","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H36 B Br Cl12 Mo N8 O2 -","- C29 H36 B Br Cl12 Mo N8 O2 -","- C116 H144 B4 Br4 Cl48 Mo4 N32 O8 -","4","2","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.0699","0.0483","","","0.1143","0.1226","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071955","11.699","0.0009","10.6226","0.0007","16.698","0.0011","90","","106.573","0.002","90","","1988.9","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H43 N3 O4 -","- C50 H43 N3 O4 -","- C100 H86 N6 O8 -","2","1","","Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP","Organometallics","2008","27","15","4021","","10.1021/om800485s","","","0.71075","MoKα","","","0.0449","","","","0.1135","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072006","13.0141","0.0006","15.4869","0.0008","16.3101","0.0007","90","","110.853","0.004","90","","3071.9","0.3","110","","110","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C33 H54 O P2 Ru -","- C33 H54 O P2 Ru -","- C132 H216 O4 P8 Ru4 -","4","2","","Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane","Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols","Organometallics","2008","27","19","5088","","10.1021/om8005118","","","","MoKα","","0.0406","0.0353","","","0.09","0.0981","","","","","","1.039","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072033","8.6322","0.0002","16.3296","0.0003","9.2517","0.0002","90","","109.21","0.001","90","","1231.51","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl N4 Rh -","- C27 H32 Cl N4 Rh -","- C54 H64 Cl2 N8 Rh2 -","2","1","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0174","0.0164","","","0.0404","0.0409","","","","","","1.049","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072034","13.6299","0.0018","18.071","0.003","18.99","0.003","90","","101.484","0.004","90","","4583.7","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cl N4 O4 -","- C24 H23 Cl N4 O4 -","- C192 H184 Cl8 N32 O32 -","8","4","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0922","0.0682","","","0.1758","0.1938","","","","","","1.046","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072075","6.3632","0.0003","7.6482","0.0003","13.6844","0.0007","90","","97.056","0.002","90","","660.94","0.05","120.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H20 B P Si -","- C12 H20 B P Si -","- C24 H40 B2 P2 Si2 -","2","1","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0278","","","","0.0371","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072094","15.922","0.002","9.7547","0.0016","23.679","0.003","90","","107.689","0.002","90","","3503.8","0.9","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H68 Cl2 N2 Ni2 O2 P4 -","- C81 H68 Cl2 N2 Ni2 O2 P4 -","- C162 H136 Cl4 N4 Ni4 O4 P8 -","2","1","","Sun, Kai; Wang, Li; Wang, Zhong-Xia","Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling","Organometallics","2008","27","21","5649","","10.1021/om800580p","","","0.71073","MoKα","","0.1313","0.0561","","","0.0619","0.0748","","","","","","0.816","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072104","10.6161","0.0006","6.8123","0.0004","21.2635","0.0014","90","","96.907","0.002","90","","1526.62","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","2","","Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling","Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes","Organometallics","2008","27","20","5326","","10.1021/om8005917","","","0.71073","MoKα","","0.1663","0.1011","","","0.2312","0.2842","","","","","","1.032","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072105","10.6786","0.0018","6.8771","0.0012","22.698","0.004","90","","96.615","0.004","90","","1655.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","2","","Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling","Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes","Organometallics","2008","27","20","5326","","10.1021/om8005917","","","0.71073","MoKα","","0.0924","0.05","","","0.1279","0.1581","","","","","","0.984","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072163","8.1512","0.0014","15.89","0.003","13.803","0.002","90","","97.983","0.003","90","","1770.5","0.5","220","2","220","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tetrakis-μ-(pyrrolidinato)-bis(benzonitrile)dirhodium(II,III) tetrafluoroborate","","- C30.7 H35.4 B Cl1.4 F4 N6 O4 Rh2 -","- C30.704 H35.408 B Cl1.408 F4 N6 O4 Rh2 -","- C61.408 H70.816 B2 Cl2.816 F8 N12 O8 Rh4 -","2","1","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0418","0.0351","","","0.0774","0.0798","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072196","9.4749","0.0003","12.6708","0.0003","11.6753","0.0003","90","","98.468","0.001","90","","1386.39","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 N2 O2 Zn -","- C28 H42 N2 O2 Zn -","- C56 H84 N4 O4 Zn2 -","2","1","","Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate","Organometallics","2008","27","22","5860","","10.1021/om800658s","","","0.71073","MoKα","","0.0335","0.0283","","","0.0625","0.065","","","","","","1.026","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072203","6.4305","0.0011","11.728","0.0013","12.283","0.001","90","","103.426","0.005","90","","901","0.2","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl N2 O2 Pd -","- C18 H23 Cl N2 O2 Pd -","- C36 H46 Cl2 N4 O4 Pd2 -","2","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route","Organometallics","2008","27","19","5159","","10.1021/om800666x","","","0.7107","MoKα","","","0.02","","","","0.026","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072204","12.4126","0.0011","20.842","0.002","13.268","0.002","90","","117.754","0.004","90","","3037.6","0.6","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H27 Cl N2 O2 Pd -","- C20 H27 Cl N2 O2 Pd -","- C120 H162 Cl6 N12 O12 Pd6 -","6","3","","Kimura, Tsutomu; Uozumi, Yasuhiro","Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route","Organometallics","2008","27","19","5159","","10.1021/om800666x","","","0.7107","MoKα","","","0.036","","","","0.045","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072280","9.451","0.001","13.486","0.001","10.434","0.001","90","","95.63","0.01","90","","1323.5","0.2","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl2 Co N3 -","- C26 H35 Cl2 Co N3 -","- C52 H70 Cl4 Co2 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0473","0.0389","","","0.0905","0.0957","","","","","","1.024","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072281","9.5883","0.0003","12.9838","0.0002","10.8393","0.0004","90","","92.006","0.002","90","","1348.59","0.07","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Cl2 Co N3 -","- C27 H37 Cl2 Co N3 -","- C54 H74 Cl4 Co2 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0747","0.051","","","0.0939","0.103","","","","","","1.023","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072283","9.4994","0.0002","13.5202","0.0004","10.409","0.0003","90","","95.779","0.001","90","","1330.07","0.06","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl2 Fe N3 -","- C26 H35 Cl2 Fe N3 -","- C52 H70 Cl4 Fe2 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0841","0.0664","","","0.1655","0.1774","","","","","","1.065","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072295","10.3427","0.0018","13.9319","0.0018","11.2884","0.0019","90","","99.369","0.01","90","","1604.9","0.4","193.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H33 F3 N4 O4 Ru S2 -","- C32 H33 F3 N4 O4 Ru S2 -","- C64 H66 F6 N8 O8 Ru2 S4 -","2","1","","Ito, Masato; Endo, Yoshinori; Ikariya, Takao","Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones","Organometallics","2008","27","23","6053","","10.1021/om800735z","","","0.7107","MoKα","","","0.0383","","","","0.1132","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072434","7.2466","0.0004","19.5763","0.001","7.9997","0.0004","90","","104.296","0.001","90","","1099.71","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H32 Cl2 N O P Pd -","- C21 H32 Cl2 N O P Pd -","- C42 H64 Cl4 N2 O2 P2 Pd2 -","2","1","","Rubina, Marina; Sherrill, William M.; Rubin, Michael","Dramatic Stereo- and Enantiodivergency in the Intermolecular Asymmetric Heck Reaction Catalyzed by Palladium Complexes with Cyclopropane-Based PHOX Ligands","Organometallics","2008","27","24","6393","","10.1021/om801051d","","","0.71073","MoKα","","0.0254","0.0246","","","0.0573","0.0576","","","","","","1.011","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072439","9.672","0.0002","17.937","0.0005","10.592","0.0003","90","","116.492","0.0012","90","","1644.62","0.08","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H52 Cl N2 Rh -","- C35 H52 Cl N2 Rh -","- C70 H104 Cl2 N4 Rh2 -","2","1","","Rosen, Evelyn L.; Sanderson, Matthew D.; Saravanakumar, Shanmuganathan; Bielawski, Christopher W.","Synthesis and Study of the First N-Aryl Acyclic Diaminocarbene and Its Transition-Metal Complexes","Organometallics","2007","26","24","5774","","10.1021/om7007925","","","0.71073","MoKα","","0.1066","0.0685","","","0.1464","0.1636","","","","","","1.114","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072473","12.434","0.002","7.4721","0.0006","18.098","0.003","90","","90.206","0.002","90","","1681.4","0.4","150.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H22 Cl3 O2 Si Ta -","- C10 H22 Cl3 O2 Si Ta -","- C40 H88 Cl12 O8 Si4 Ta4 -","4","2","","Oshiki, Toshiyuki; Yamada, Atsushi; Kawai, Kimio; Arimitsu, Hirotaka; Takai, Kazuhiko","Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum: Mechanistic Investigation and Its Application in the Preparation of New Tantalum Complexes Having Functional Alkynes (PhC⋮CR (R = COOMe, CONMe2))","Organometallics","2007","26","1","173","","10.1021/om060659z","","","0.7107","MoK´a","","","0.0763","","","","0.2453","","","","","","2.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072520","11.162","0.002","30.243","0.006","11.176","0.002","90","","91.33","0.03","90","","3771.7","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H38 Cl3 F6 P3 Ru -","- C37 H38 Cl3 F6 P3 Ru -","- C148 H152 Cl12 F24 P12 Ru4 -","4","2","","Chaplin, Adrian B.; Fellay, Céline; Laurenczy, Gábor; Dyson, Paul J.","Mechanistic Studies on the Formation of η2-Diphosphine (η6-p-cymene)ruthenium(II) Compounds","Organometallics","2007","26","3","586","","10.1021/om060752n","","","0.71073","MoKα","","0.0223","0.0211","","","0.0465","0.047","","","","","","1.119","","","","has coordinates,has disorder","178614","2020-10-21","18:00:00",""
"4072533","9.438","0.0004","10.755","0.0007","9.71","0.0006","90","","102.118","0.003","90","","963.66","0.1","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O P Rh -","- C18 H26 Cl N O P Rh -","- C36 H52 Cl2 N2 O2 P2 Rh2 -","2","1","","Cipot, Judy; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark","Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene: A Comparative Synthetic, Structural, and Catalytic Investigation","Organometallics","2007","26","3","594","","10.1021/om060758c","","","0.71073","MoKα","","0.0491","0.0398","","","0.0795","0.0849","","","","","","1.078","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072556","9.249","0.002","27.1","0.004","11.653","0.002","90","","107.78","0.03","90","","2781.3","1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","dichloro(N,N'-di(quinoline-2-methylene)diiminocyclohexane)manganese(II) dichloromethane","","- C27 H26 Cl4 Mn N4 -","- C27 H26 Cl4 Mn N4 -","- C108 H104 Cl16 Mn4 N16 -","4","2","","Yliheikkilä, Katariina; Axenov, Kirill; Räisänen, Minna T.; Klinga, Martti; Lankinen, Mikko P.; Kettunen, Mika; Leskelä, Markku; Repo, Timo","Manganese(II) Complexes in Ethene Polymerization","Organometallics","2007","26","4","980","","10.1021/om0608105","","","0.71073","MoKα","","0.1071","0.0555","","","0.0989","0.1142","","","","","","1.016","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072603","5.9727","0.0005","25.413","0.003","8.2155","0.0008","90","","90.328","0.003","90","","1247","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Pyrrole-2-N-(o-oxyphenyl)-carbaldiminato-silacyclobutane","","- C14 H14 N2 O Si -","- C14 H14 N2 O Si -","- C56 H56 N8 O4 Si4 -","4","2","","Gerlach, Daniela; Brendler, Erica; Heine, Thomas; Wagler, Jörg","Dianion of Pyrrole-2-N-(o-hydroxyphenyl)carbaldimine as an Interesting Tridentate (ONN) Ligand System in Hypercoordinate Silicon Complexes","Organometallics","2007","26","1","234","","10.1021/om060869b","","","0.71073","MoKα","","0.0471","0.0361","","","0.0867","0.0916","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072623","11.862","0.004","11.552","0.003","13.875","0.005","90","","102.19","0.03","90","","1858.4","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis-(2,2,4,4-tetramethyl-3,4-dihydro-2H-pyrrole-1-oxide-5-yl)-mercurio","","- C16 H28 Hg N2 O2 -","- C16 H28 Hg N2 O2 -","- C64 H112 Hg4 N8 O8 -","4","2","","Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.","α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†","Organometallics","2007","26","7","1607","","10.1021/om060883o","","","0.71073","MoKα","","0.0619","0.0574","","","0.1642","0.1679","","","","","","1.095","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072644","12.5","0.02","9.136","0.016","20.49","0.03","90","","101.51","0.03","90","","2293","6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H50 K N3 O2 Ti -","- C56 H50 K N3 O2 Ti -","- C112 H100 K2 N6 O4 Ti2 -","2","1","","Nikiforov, Grigory B.; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Budzelaar, Peter H. M.","Reduction of Titanium Supported by aσ-/π-Bonded Tripyrrole Ligand: Ligand C−N Bond Cleavage and Coordination of Olefin and Arene with an Inverse Sandwich Structure","Organometallics","2007","26","1","48","","10.1021/om060908j","","","0.71073","MoKα","","0.069","0.0527","","","0.1226","0.1322","","","","","","1.003","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072690","5.2806","0.0018","11.488","0.004","10.521","0.005","90","","98.96","0.03","90","","630.5","0.4","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl N4 -","- C11 H15 Cl N4 -","- C22 H30 Cl2 N8 -","2","1","","Fei, Zhaofu; Zhao, Dongbin; Pieraccini, Daniela; Ang, Wee Han; Geldbach, Tilmann J.; Scopelliti, Rosario; Chiappe, Cinzia; Dyson, Paul J.","Development of Nitrile-Functionalized Ionic Liquids for C−C Coupling Reactions: Implication of Carbene and Nanoparticle Catalysts","Organometallics","2007","26","7","1588","","10.1021/om060950e","","","0.71073","MoKα","","0.0896","0.0619","","","0.1264","0.1382","","","","","","0.902","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072745","9.5078","0.0004","16.2192","0.0006","13.2545","0.0006","90","","106.059","0.003","90","","1964.2","0.14","100","1","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H43 F7 Fe P3 -","- C44 H43 F7 Fe P3 -","- C88 H86 F14 Fe2 P6 -","2","1","","Paul, Frédéric; da Costa, Grégory; Bondon, Arnaud; Gauthier, Nicolas; Sinbandhit, Sourisak; Toupet, Loic; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Spin Delocalization in Electron-Rich Iron(III) Piano-Stool σ-Acetylides. An Experimental (NMR) and Theoretical (DFT) Investigation","Organometallics","2007","26","4","874","","10.1021/om060989j","","","0.71069","MoKα","","0.053","0.0327","","","0.0679","0.0707","","","","","","0.892","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072822","12.2659","0.0009","28.62","0.002","26.4585","0.0019","90","","100.816","0.001","90","","9123.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C192 H284 O16 P4 Rh2 -","- C162.012 H213.654 O16 P4 Rh2 -","- C324.024 H427.308 O32 P8 Rh4 -","2","1","","Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.","Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation","Organometallics","2007","26","12","2986","","10.1021/om061065z","","","0.71073","MoKα","","0.0708","0.0531","","","0.1271","0.1336","","","","","","0.987","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072824","12.0872","0.0003","14.3121","0.0003","12.0945","0.0003","90","","114.59","0.001","90","","1902.52","0.08","85","2","85","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H36 Cl2 I Ir P2 S -","- C42 H36 Cl2 I Ir P2 S -","- C84 H72 Cl4 I2 Ir2 P4 S2 -","2","1","","Clark, George R.; Lu, Guo-Liang; Roper, Warren R.; Wright, L. James","Stepwise Reactions of Acetylenes with Iridium Thiocarbonyl Complexes To Produce Isolable Iridacyclobutadienes and Conversion of These to either Cyclopentadienyliridium or Tethered Iridabenzene Complexes","Organometallics","2007","26","9","2167","","10.1021/om061066r","","","0.71073","MoKα","","0.0419","0.0412","","","0.1079","0.1091","","","","","","0.986","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072826","11.9631","0.0002","11.5672","0.0002","17.7181","0.0001","90","","95.758","0.001","90","","2439.45","0.06","83","2","83","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl5 Ir P2 S -","- C55 H46 Cl5 Ir P2 S -","- C110 H92 Cl10 Ir2 P4 S2 -","2","1","","Clark, George R.; Lu, Guo-Liang; Roper, Warren R.; Wright, L. James","Stepwise Reactions of Acetylenes with Iridium Thiocarbonyl Complexes To Produce Isolable Iridacyclobutadienes and Conversion of These to either Cyclopentadienyliridium or Tethered Iridabenzene Complexes","Organometallics","2007","26","9","2167","","10.1021/om061066r","","","0.71073","MoKα","","0.0324","0.0313","","","0.0762","0.0771","","","","","","1.018","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072880","8.434","0.002","13.588","0.004","20.825","0.006","90","","101.266","0.006","90","","2340.6","1.1","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 O P2 Pt -","- C24 H34 O P2 Pt -","- C96 H136 O4 P8 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Platinum-Catalyzed Asymmetric Alkylation of a Secondary Phosphine: Mechanism and Origin of Enantioselectivity","Organometallics","2007","26","7","1788","","10.1021/om061116s","","","0.71073","MoKα","","0.0481","0.0448","","","0.1002","0.1018","","","","","","1.003","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072900","13.962","0.003","14.058","0.002","17.559","0.003","90","","98.762","0.004","90","","3406.2","1.1","193.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H39 Cl2 Ir N2 O9 -","- C28 H39 Cl2 Ir N2 O9 -","- C112 H156 Cl8 Ir4 N8 O36 -","4","2","","Nishioka, Takanori; Shibata, Teppei; Kinoshita, Isamu","Sugar-Incorporated N-Heterocyclic Carbene Complexes","Organometallics","2007","26","5","1126","","10.1021/om061128d","","","0.7107","MoKα","","","0.0557","","","","0.0934","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072927","10.947","0.002","15.391","0.003","11.461","0.002","90","","107.01","0.03","90","","1846.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H54 Fe O Si6 Zn -","- C26 H54 Fe O Si6 Zn -","- C52 H108 Fe2 O2 Si12 Zn2 -","2","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","1,1‘-Oligosilylferrocene Compounds","Organometallics","2007","26","7","1762","","10.1021/om061138e","","","0.71073","MoKα","","0.0453","0.042","","","0.0821","0.0833","","","","","","1.077","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072929","8.6754","0.0017","18.203","0.004","9.5236","0.0019","90","","98.71","0.03","90","","1486.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H44 Fe Si6 -","- C22 H44 Fe Si6 -","- C44 H88 Fe2 Si12 -","2","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","1,1‘-Oligosilylferrocene Compounds","Organometallics","2007","26","7","1762","","10.1021/om061138e","","","0.71073","MoKα","","0.0359","0.0343","","","0.0829","0.0839","","","","","","1.078","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072969","9.6513","0.0007","16.9051","0.0012","12.0511","0.0009","90","","107.46","0.001","90","","1875.6","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H63 Nd O4 Si6 -","- C25 H63 Nd O4 Si6 -","- C50 H126 Nd2 O8 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Synthesis and Structures of Ln(II) and Ln(III) Dialkyls Derived from LnI2(Ln = Nd, Tm, Yb)","Organometallics","2007","26","10","2646","","10.1021/om0611711","","","0.6751","synchrotron","","0.0781","0.0526","","","0.1155","0.1299","","","","","","0.985","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072978","13.922","0.004","7.835","0.002","15.145","0.004","90","","90.42","0.005","90","","1652","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-(1,12-dicarba-closo-dodecaboran-2-yl)carbazole","","","- C14 H19 B10 N -","- C14 H19 B10 N -","- C56 H76 B40 N4 -","4","2","","Beletskaya, Irina P.; Bregadze, Vladimir I.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Petrovskii, Pavel V.; Glukhov, Ivan V.; Starikova, Zoya A.","Palladium-Catalyzed Amination of 2-Iodo-para-carborane","Organometallics","2007","26","9","2340","","10.1021/om0611756","","","0.71073","MoKα","","0.11","0.078","","","0.1338","0.1462","","","","","","1.019","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072980","9.8337","0.0019","13.4674","0.0018","10.802","0.002","90","","90.274","0.003","90","","1430.5","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-(1,12-dicarba-closo-dodecaboran-2-yl)indole","","","- C10 H17 B10 N -","- C10 H17 B10 N -","- C40 H68 B40 N4 -","4","2","","Beletskaya, Irina P.; Bregadze, Vladimir I.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Petrovskii, Pavel V.; Glukhov, Ivan V.; Starikova, Zoya A.","Palladium-Catalyzed Amination of 2-Iodo-para-carborane","Organometallics","2007","26","9","2340","","10.1021/om0611756","","","0.71073","MoKα","","0.0669","0.0556","","","0.1164","0.123","","","","","","1.015","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073057","7.306","0.003","10.185","0.004","15.601","0.006","90","","97.45","0.03","90","","1151.1","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(pR)-N,N-Diisopropyl-2-(4,4,5,5-tetramethyl-[1,3,2]- dioxaborolan-2-yl)-ferrocencarboxamide","","- C23 H34 B Fe N O3 -","- C23 H34 B Fe N O3 -","- C46 H68 B2 Fe2 N2 O6 -","2","1","","Batsanov, Andrei S.; Hérault, Damien; Howard, Judith A. K.; Patrick, Leonard G. F.; Probert, Michael R.; Whiting, Andrew","Synthesis and Structure of Planar Chiral, Bifunctional Aminoboronic Acid Ferrocene Derivatives","Organometallics","2007","26","9","2414","","10.1021/om070038l","","","0.71073","MoKα","","0.1862","0.1146","","","0.2718","0.3207","","","","","","0.981","","","","has coordinates,has disorder","178619","2020-10-21","18:00:00",""
"4073094","8.9666","0.0003","9.1795","0.0003","15.8847","0.0005","90","","90.09","0.001","90","","1307.45","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H37 F6 N2 Pd S Sb -","- C21 H37 F6 N2 Pd S Sb -","- C42 H74 F12 N4 Pd2 S2 Sb2 -","2","1","","Roseblade, Stephen J.; Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario","Imidazo[1,5-a]pyridin-3-ylidene/Thioether Mixed C/S Ligands and Complexes Thereof§","Organometallics","2007","26","10","2570","","10.1021/om070063r","","","0.71073","MoKα","","0.015","0.0145","","","0.0367","0.0369","","","","","","1.03","","","","has coordinates,has disorder","178619","2020-10-21","18:00:00",""
"4073095","11.9786","0.0005","22.1371","0.0008","13.5137","0.0005","90","","108.129","0.001","90","","3405.6","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H40 F6 N2 Rh S Sb -","- C30 H40 F6 N2 Rh S Sb -","- C120 H160 F24 N8 Rh4 S4 Sb4 -","4","2","","Roseblade, Stephen J.; Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario","Imidazo[1,5-a]pyridin-3-ylidene/Thioether Mixed C/S Ligands and Complexes Thereof§","Organometallics","2007","26","10","2570","","10.1021/om070063r","","","0.71073","MoKα","","0.0771","0.0603","","","0.1645","0.1754","","","","","","1.047","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073149","9.3403","0.0009","13.8911","0.0013","19.3631","0.0019","90","","92.535","0.005","90","","2509.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H47 B F15 N2 O5 Ti2 -","- C53 H47 B F15 N2 O5 Ti2 -","- C106 H94 B2 F30 N4 O10 Ti4 -","2","1","","Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Pastor, Cesar","Cationic Titanium Complexes Containing Alkoxide and Carboxylate Pincer Ligands; Noninnocent Role of the Anionic Moieties in Their Reactivity","Organometallics","2007","26","11","2896","","10.1021/om070119h","","","0.71073","MoKα","","0.0879","0.0546","","","0.1229","0.1493","","","","","","0.972","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073153","8.2295","0.0007","9.2912","0.0008","11.3389","0.0012","90","","91.663","0.002","90","","866.63","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Br N2 O2 Pd -","- C16 H19 Br N2 O2 Pd -","- C32 H38 Br2 N4 O4 Pd2 -","2","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Calmuschi-Cula, Beatrice; Bautista, Delia","Ortho Palladation and Functionalization ofl-Phenylalanine Methyl Ester†","Organometallics","2007","26","10","2768","","10.1021/om070127y","","","0.71073","MoKα","","0.0381","0.0353","","","0.0786","0.0796","","","","","","1.024","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073154","9.5247","0.0004","10.0175","0.0004","9.8917","0.0004","90","","93.333","0.002","90","","942.21","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C32 H42 F6 N4 O10 S2 -","2","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Calmuschi-Cula, Beatrice; Bautista, Delia","Ortho Palladation and Functionalization ofl-Phenylalanine Methyl Ester†","Organometallics","2007","26","10","2768","","10.1021/om070127y","","","0.71073","MoKα","","0.0267","0.0265","","","0.0675","0.0677","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4073155","9.3942","0.0007","11.5392","0.0009","10.2024","0.0008","90","","99.789","0.002","90","","1089.85","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 F3 N2 O5 S -","- C20 H21 F3 N2 O5 S -","- C40 H42 F6 N4 O10 S2 -","2","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Calmuschi-Cula, Beatrice; Bautista, Delia","Ortho Palladation and Functionalization ofl-Phenylalanine Methyl Ester†","Organometallics","2007","26","10","2768","","10.1021/om070127y","","","0.71073","MoKα","","0.0431","0.0399","","","0.0954","0.0972","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4073176","9.4518","0.001","15.8721","0.0017","11.5989","0.0012","90","","94.025","0.002","90","","1735.8","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H30 B2 F8 N4 O6 Ru2 -","- C30 H30 B2 F8 N4 O6 Ru2 -","- C60 H60 B4 F16 N8 O12 Ru4 -","2","1","","Patra, Sanjib K.; Bera, Jitendra K.","C−C Bond Forming Reaction through Aldol-Type Addition Mediated by a [Ru2(CO)4]2+Core","Organometallics","2007","26","10","2598","","10.1021/om070139j","","","0.71073","MoKα","","0.0732","0.057","","","0.0987","0.1053","","","","","","0.99","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073182","14.337","0.017","14.879","0.017","17.38","0.02","90","","98.86","0.02","90","","3663","7","207","2","207","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H49 Al Cl2 Cr N3 -","- C35 H49 Al Cl2 Cr N3 -","- C140 H196 Al4 Cl8 Cr4 N12 -","4","2","","Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Duchateau, Robbert","Reactivity of Chromium Complexes of a Bis(imino)pyridine Ligand: Highly Active Ethylene Polymerization Catalysts Carrying the Metal in a Formally Low Oxidation State","Organometallics","2007","26","13","3201","","10.1021/om0701423","","","0.71073","MoKα","","0.1244","0.0736","","","0.1469","0.1696","","","","","","1.031","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073228","9.223","0.004","8.553","0.004","10.143","0.005","90","","117.04","0.04","90","","712.7","0.6","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S.","Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold","Organometallics","2007","26","11","2885","","10.1021/om0701827","","","0.71073","MoKα","","0.088","0.0759","","","0.2471","0.2596","","","","","","1.035","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073251","25.521","0.004","16.797","0.003","30.53","0.04","90","","113.76","0.003","90","","11978","16","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H72 Ag6 F36 N32 P6 -","- C88 H72 Ag6 F36 N32 P6 -","- C352 H288 Ag24 F144 N128 P24 -","4","2","","Liu, Bin; Chen, Wanzhi; Jin, Shouwen","Synthesis, Structural Characterization, and Luminescence of New Silver Aggregates Containing Short Ag−Ag Contacts Stabilized by Functionalized Bis(N-heterocyclic carbene) Ligands","Organometallics","2007","26","15","3660","","10.1021/om0701928","","","0.71073","MoKα","","0.1243","0.0676","","","0.1727","0.2212","","","","","","1.053","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073260","18.7419","0.0008","19.4591","0.0007","24.6209","0.001","90","","112.043","0.002","90","","8322.9","0.6","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C45 H59 Ca N2 O P -","- C45 H59 Ca N2 O P -","- C360 H472 Ca8 N16 O8 P8 -","8","4","","Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.","Calcium-Catalyzed Intermolecular Hydrophosphination","Organometallics","2007","26","12","2953","","10.1021/om070200k","","x-ray","0.71073","MoKα","","0.1997","0.1079","","","0.2021","0.2461","","","","","","1.086","","","","has coordinates,has disorder","178621","2020-10-21","18:00:00",""
"4073308","10.734","0.003","7.955","0.002","15.068","0.005","90","","102.85","0.004","90","","1254.4","0.6","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 Lu N2 Si -","- C24 H35 Lu N2 Si -","- C48 H70 Lu2 N4 Si2 -","2","1","","Jantunen, Kimberly C.; Scott, Brian L.; Gordon, John C.; Kiplinger, Jaqueline L.","Reactivity of (C5Me5)Lu(CH2SiMe3)2(THF) with Pyridine Ring Systems: Synthesis and Structural Characterization of an η2-(N,C)-Pyridyl (Mono)pentamethylcyclopentadienyl Lutetium(III) Complex","Organometallics","2007","26","10","2777","","10.1021/om0702330","","","0.71073","MoKα","","0.0523","0.0413","","","0.0957","0.1012","","","","","","1.033","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073325","9.101","0.001","10.307","0.001","16.428","0.001","90","","95.1","0.001","90","","1534.9","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H25 Cr N3 O7 Ru -","- C35 H25 Cr N3 O7 Ru -","- C70 H50 Cr2 N6 O14 Ru2 -","2","1","","Hijazi, Akram; Djukic, Jean-Pierre; Allouche, Lionel; de Cian, André; Pfeffer, Michel; Le Goff, Xavier-Frédéric; Ricard, Louis","Stereoselective Cyclometalation of Planar Pro-chiral (η6-Arene)tricarbonylchromium Complexes withOC-6-[Ru(CO)2Cl2]n","Organometallics","2007","26","17","4180","","10.1021/om070239p","","","0.71073","MoKα","","0.0246","0.0238","","","0.0648","0.0657","","","","","","1.024","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073361","8.9113","0.0006","14.9674","0.0008","10.0496","0.0006","90","","111.331","0.002","90","","1248.58","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H45 N Ni P2 -","- C23 H45 N Ni P2 -","- C46 H90 N2 Ni2 P4 -","2","1","","Cámpora, Juan; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Graiff, Claudia; Tiripicchio, Antonio","Monomeric Alkoxo and Amido Methylnickel(II) Complexes. Synthesis and Heterocumulene Insertion Chemistry","Organometallics","2007","26","15","3840","","10.1021/om7002909","","","0.71073","MoKα","","0.0592","0.0467","","","0.1087","0.1134","","","","","","0.998","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073386","17.6911","0.001","11.519","0.0006","23.0571","0.0013","90","","90.832","0.001","90","","4698.2","0.4","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H46 F3 N O3 P2 Pd S -","- C55 H46 F3 N O3 P2 Pd S -","- C220 H184 F12 N4 O12 P8 Pd4 S4 -","4","2","","Nama, Devendrababu; Butti, Pietro; Pregosin, Paul S.","Conformational Changes and Anion‒Cation Interactions in Palladium-Cyclometalated BINAP and Chiraphos Cationic Complexes. A Structural Study via NMR and X-ray Methods","Organometallics","2007","26","20","4942","4954","10.1021/om700299b","","","0.71073","MoKα","","0.0577","0.0505","","","0.1151","0.1199","","","","","","1.043","","","","has coordinates","209981","2020-10-21","18:00:00",""
"4073405","19.9387","0.0011","11.3926","0.0007","21.9592","0.0012","90","","100.816","0.001","90","","4899.5","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C46 H73 Cl2 N2 P Ru -","- C46 H73 Cl2 N2 P Ru -","- C184 H292 Cl8 N8 P4 Ru4 -","4","2","","Fournier, Pierre-André; Collins, Shawn K.","A Highly Active Chiral Ruthenium-Based Catalyst for Enantioselective Olefin Metathesis","Organometallics","2007","26","12","2945","","10.1021/om700312c","","","1.54178","CuKα","","0.0654","0.0543","","","0.1237","0.1287","","","","","","0.991","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073427","10.755","0.0005","17.4054","0.0009","22.5561","0.0012","90","","92.02","0.002","90","","4219.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H54 F3 Mo N3 O3 S -","- C44 H54 F3 Mo N3 O3 S -","- C176 H216 F12 Mo4 N12 O12 S4 -","4","2","","Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Molybdenum Imido Alkylidene Complexes that Contain a β-Diketiminate Ligand","Organometallics","2007","26","15","3771","","10.1021/om7003207","","","0.71073","MoKα","","0.045","0.0389","","","0.0765","0.0782","","","","","","1.009","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073459","16.215","0.003","15.318","0.003","17.591","0.003","90","","115.382","0.006","90","","3947.5","1.3","93.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C85 H80 Cl2 N2 O4 P4 Pd2 -","- C85 H80 Cl2 N2 O4 P4 Pd2 -","- C170 H160 Cl4 N4 O8 P8 Pd4 -","2","1","","Nishihara, Yasushi; Miyasaka, Mitsuru; Inoue, Yoshiaki; Yamaguchi, Tomoka; Kojima, Masaaki; Takagi, Kentaro","Preparation, Structures, and Thermal Reactivity of Alkoxycarbonyl(cyano)palladium(II) Complexestrans-Pd(COOR)(CN)(PPh3)2(R = Me, Et,nPr,iPr,nBu,tBu, and Bn) as Intermediates of the Palladium-Catalyzed Cyanoesterification of Norbornene Derivatives","Organometallics","2007","26","16","4054","","10.1021/om700343y","","","0.71075","MoKα","","","0.0683","","","","0.2125","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073480","8.6212","0.0006","26.734","0.002","13.5996","0.001","90","","102.995","0.001","90","","3054.2","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-naphthylCH2(O2)Co(dmestgH)2Py","","","- C58 H64 Cl4 Co N5 O6 -","- C58 H64 Cl4 Co N5 O6 -","- C116 H128 Cl8 Co2 N10 O12 -","2","1","","Bhuyan, Mouchumi; Laskar, Moitree; Mandal, Debaprasad; Gupta, B. D.","Co−C Bond Reactivity andCisInfluence Relationship in Benzylcobaloximes with Glyoxime and Dimesitylglyoxime","Organometallics","2007","26","14","3559","","10.1021/om7003578","","","0.71073","MoKα","","0.0851","0.0667","","","0.1441","0.1515","","","","","","0.928","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073492","8.5111","0.0009","6.65","0.0007","10.6084","0.0011","90","","100.347","0.002","90","","590.66","0.11","115","2","115","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","McGlacken, Gerard P.; O'Brien, Ciara T.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Chiral Mono- and Bis-annelated Cyclopentadienyl Ligands Derived from Tartaric Acid: Synthesis of [(η5-Cyclopentadienyl)RuCl(cod)] and [(η5-Cyclopentadienyl)(η6-benzene)Ru]PF6Derivatives","Organometallics","2007","26","15","3722","","10.1021/om700393b","","","0.71073","MoKα","","0.0489","0.0453","","","0.1158","0.119","","","","","","1.058","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073535","10.657","0.002","17.087","0.003","13.974","0.003","90","","93.371","0.005","90","","2540.2","0.9","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H60 Cl4 O Sb2 -","- C52 H60 Cl4 O Sb2 -","- C104 H120 Cl8 O2 Sb4 -","2","1","","Beckmann, Jens; Heek, Timm; Takahashi, Masashi","The First Mixed-Valent Antimony(III/V) Oxo Clusters (2,6-Mes2C6H3Sb)2(ClSb)4O8and (2,6-Mes2C6H3Sb)4(ClSb)4(HOSb)2O14†","Organometallics","2007","26","15","3633","","10.1021/om700434m","","","0.71073","MoKα","","0.0398","0.0329","","","0.0822","0.0882","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073596","10.2267","0.0004","14.7526","0.0007","15.942","0.0007","90","","91.736","0.002","90","","2404.07","0.18","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H35 F6 N2 O2 P -","- C20 H35 F6 N2 O2 P -","- C80 H140 F24 N8 O8 P4 -","4","2","","Iglesias, Manuel; Beetstra, Dirk J.; Stasch, Andreas; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","First Examples of Diazepanylidene Carbenes and Their Late-Transition-Metal Complexes","Organometallics","2007","26","19","4800","","10.1021/om7004904","","","0.71073","MoKα","","0.2011","0.0879","","","0.1949","0.2674","","","","","","1.087","","","","has coordinates,has disorder","178624","2020-10-21","18:00:00",""
"4073600","20.584","0.004","12.814","0.003","27.659","0.006","90","","109.39","0.03","90","","6882","3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28.75 H47.75 Br Ir N2 O2 -","- C28 H46 Br Ir N2 O2 -","- C224 H368 Br8 Ir8 N16 O16 -","8","4","","Iglesias, Manuel; Beetstra, Dirk J.; Stasch, Andreas; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","First Examples of Diazepanylidene Carbenes and Their Late-Transition-Metal Complexes","Organometallics","2007","26","19","4800","","10.1021/om7004904","","","0.71073","MoKα","","0.0705","0.0563","","","0.1389","0.1466","","","","","","1.061","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073627","10.4473","0.0009","17.433","0.0014","14.5079","0.0012","90","","90.339","0.002","90","","2642.2","0.4","188","2","188","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Zn2(TMG)(DBP)(Et)2] (6)","","","- C23 H43 N3 O Zn2 -","- C23 H43 N3 O Zn2 -","- C92 H172 N12 O4 Zn8 -","4","2","","Bunge, Scott D.; Lance, Jacob M.; Bertke, Jeffrey A.","Synthesis, Structure, and Reactivity of Alkylzinc Complexes Stabilized with 1,1,3,3-Tetramethylguanidine","Organometallics","2007","26","25","6320","","10.1021/om700501g","","","0.71073","MoKα","","0.071","0.0418","","","0.0796","0.0838","","","","","","0.816","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073639","10.2048","0.001","19.1148","0.0019","10.3849","0.001","90","","102.054","0.002","90","","1981","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H66 Lu N3 O3 Si3 -","- C32 H66 Lu N3 O3 Si3 -","- C64 H132 Lu2 N6 O6 Si6 -","2","1","","Lukešová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","C3-Symmetric Chiral Organolanthanide Complexes: Synthesis, Characterization, and Stereospecific Polymerization of α-Olefins‖","Organometallics","2007","26","18","4652","","10.1021/om700504f","","","0.71073","MoKα","","0.0341","0.03","","0.0352","0.0341","0.0341","","","","","","1.0563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073640","10.2557","0.0006","19.0994","0.0011","10.3659","0.0006","90","","102.011","0.001","90","","1986","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H66 Er N3 O3 Si3 -","- C32 H66 Er N3 O3 Si3 -","- C64 H132 Er2 N6 O6 Si6 -","2","1","","Lukešová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","C3-Symmetric Chiral Organolanthanide Complexes: Synthesis, Characterization, and Stereospecific Polymerization of α-Olefins‖","Organometallics","2007","26","18","4652","","10.1021/om700504f","","x-ray","0.71073","MoKα","","0.0408","0.0319","","","0.0651","0.0682","","","","","","1.066","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073641","10.2711","0.0002","19.1776","0.0003","10.4005","0.0002","90","","101.947","0.001","90","","2004.26","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H66 Ho N3 O3 Si3 -","- C32 H66 Ho N3 O3 Si3 -","- C64 H132 Ho2 N6 O6 Si6 -","2","1","","Lukešová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","C3-Symmetric Chiral Organolanthanide Complexes: Synthesis, Characterization, and Stereospecific Polymerization of α-Olefins‖","Organometallics","2007","26","18","4652","","10.1021/om700504f","","x-ray","0.71073","MoKα","","0.0306","0.0257","","","0.0584","0.0604","","","","","","1.064","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073642","10.3013","0.0014","19.2","0.003","10.4282","0.0014","90","","102","0.003","90","","2017.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H66 Dy N3 O3 Si3 -","- C32 H66 Dy N3 O3 Si3 -","- C64 H132 Dy2 N6 O6 Si6 -","2","1","","Lukešová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","C3-Symmetric Chiral Organolanthanide Complexes: Synthesis, Characterization, and Stereospecific Polymerization of α-Olefins‖","Organometallics","2007","26","18","4652","","10.1021/om700504f","","x-ray","0.71073","MoKα","","0.0618","0.0492","","","0.1068","0.1121","","","","","","0.993","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073664","11.8799","0.0008","17.3422","0.0009","12.0943","0.0011","90","","102.544","0.007","90","","2432.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H47 Cl O2 P2 Ru S -","- C55.998 H46.994 Cl O1.999 P2 Ru S -","- C111.996 H93.988 Cl2 O3.998 P4 Ru2 S2 -","2","1","","Cowley, Andrew R.; Hector, Andrew L.; Hill, Anthony F.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Synthesis and Reactions of Five-Coordinate Mono- and Binuclear Thiocarbonyl−Alkenyl and Thioacyl Complexes of Ruthenium(II)","Organometallics","2007","26","25","6114","","10.1021/om700518m","","","1.54178","CuKα","","0.0507","0.0468","","","0.1251","0.1285","","","","","","1.046","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073736","15.253","0.001","12.08","0.001","16.77","0.001","90","","92.676","0.001","90","","3086.6","0.4","163","0.1","163","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N2 P Y -","- C32 H48 N2 P Y -","- C128 H192 N8 P4 Y4 -","4","2","","Jaroschik, Florian; Shima, Takanori; Li, Xiaofang; Mori, Kyouichi; Ricard, Louis; Le Goff, Xavier-Frédéric; Nief, François; Hou, Zhaomin","Synthesis, Characterization, and Reactivity of Mono(phospholyl)lanthanoid(III) Bis(dimethylaminobenzyl) Complexes","Organometallics","2007","26","23","5654","","10.1021/om7005936","","","0.71073","MoKα","","0.0834","0.0415","","","0.0486","0.0545","","","","","","0.74","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073737","15.379","0.001","12.077","0.001","16.759","0.001","90","","92.095","0.001","90","","3110.6","0.4","163","0.1","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N2 P Sm -","- C32 H48 N2 P Sm -","- C128 H192 N8 P4 Sm4 -","4","2","","Jaroschik, Florian; Shima, Takanori; Li, Xiaofang; Mori, Kyouichi; Ricard, Louis; Le Goff, Xavier-Frédéric; Nief, François; Hou, Zhaomin","Synthesis, Characterization, and Reactivity of Mono(phospholyl)lanthanoid(III) Bis(dimethylaminobenzyl) Complexes","Organometallics","2007","26","23","5654","","10.1021/om7005936","","","0.71073","MoKα","","0.0285","0.0259","","","0.0526","0.0534","","","","","","0.984","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073822","14.7843","0.0003","12.3934","0.0003","14.952","0.0003","90","","98.7963","0.0013","90","","2707.4","0.1","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H48 Cl N Os P2 -","- C23 H48 Cl N Os P2 -","- C92 H192 Cl4 N4 Os4 P8 -","4","2","","Kuznetsov, Vladimir F.; Gusev, Dmitry G.","Chiral Hydride and Dihydrogen Pincer-Type Complexes of Osmium","Organometallics","2007","26","23","5661","","10.1021/om700651g","","","0.71073","MoKα","","0.0554","0.0406","","","0.0835","0.0909","","","","","","1.03","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073853","14.688","0.0011","23.835","0.002","21.211","0.002","90","","102.572","0.005","90","","7247.7","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H30 Cl N4 O2 Y -","- C34 H30 Cl N4 O2 Y -","- C272 H240 Cl8 N32 O16 Y8 -","8","4","","Xiang, Li; Wang, Qiuwen; Song, Haibin; Zi, Guofu","Synthesis, Structural Characterization, and Reactivity of Organolanthanides Derived from a New Chiral Ligand, (R)-Bis(pyrrol-2-ylmethyleneamino)-1,1‘-binaphthyl","Organometallics","2007","26","22","5323","","10.1021/om7006826","","","0.7107","MoKα","","0.1112","0.0768","","","0.178","0.2024","","","","","","0.98","","","","has coordinates,has disorder","178627","2020-10-21","18:00:00",""
"4073872","11.2711","0.0009","9.1727","0.0008","14.3367","0.0011","90","","90.512","0.002","90","","1482.2","0.2","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H32 Br Cl3 F6 Ir N4 P -","- C22 H32 Br Cl3 F6 Ir N4 P -","- C44 H64 Br2 Cl6 F12 Ir2 N8 P2 -","2","1","","Viciano, Mónica; Feliz, Marta; Corberán, Rosa; Mata, Jose A.; Clot, Eric; Peris, Eduardo","Aliphatic versus Aromatic C−H Activation in the Formation of Abnormal Carbenes with Iridium: A Combined Experimental and Theoretical Study","Organometallics","2007","26","22","5304","","10.1021/om7006979","","","0.71073","MoKα","","0.0826","0.0506","","","0.0834","0.0926","","","","","","1.014","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073910","10.319","0.004","10.579","0.003","13.042","0.003","90","","97.83","0.02","90","","1410.5","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1b","1b","","- C27 H42 O Si2 -","- C27 H42 O Si2 -","- C54 H84 O2 Si4 -","2","1","","Minglana, Jim Josephus G.; Okazaki, Masaaki; Hasegawa, Kenji; Luh, Lung-Shiang; Yamahira, Nobukazu; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","Iron, Ruthenium, and Osmium Complexes Supported by the Bis(silyl) Chelate Ligand (9,9-Dimethylxanthene-4,5-diyl)bis(dimethylsilyl): Synthesis, Characterization, and Reactivity","Organometallics","2007","26","24","5859","","10.1021/om700720s","","x-ray","0.71069","MoKα","","0.1032","0.0542","","","0.1355","0.1597","","","","","","1.013","","","","has coordinates,has disorder","178628","2020-10-21","18:00:00",""
"4073933","21.3901","0.0011","10.2591","0.0004","23.6159","0.0012","90","","111.582","0.001","90","","4819","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C203 H224 Cl8 O12 P8 Pd4 -","- C203 H224 Cl8 O12 P8 Pd4 -","- C203 H224 Cl8 O12 P8 Pd4 -","1","0.5","","Rubio, Miguel; Suárez, Andrés; Álvarez, Eleuterio; Bianchini, Claudio; Oberhauser, Werner; Peruzzini, Maurizio; Pizzano, Antonio","Asymmetric Hydroformylation of Olefins with Rh Catalysts Modified with Chiral Phosphine−Phosphite Ligands","Organometallics","2007","26","25","6428","","10.1021/om700744b","","","0.71073","MoKα","","0.1042","0.0646","","","0.1575","0.1823","","","","","","1.037","","","","has coordinates,has disorder","178628","2020-10-21","18:00:00",""
"4073962","11.198","","16.033","","11.737","","90","","118.04","","90","","1859.88","","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H30 Mo O10 P2 -","- C40 H30 Mo O10 P2 -","- C80 H60 Mo2 O20 P4 -","2","1","","Darensbourg, Donald J.; Andreatta, Jeremy R.; Stranahan, Sarah M.; Reibenspies, Joseph H.","What is the Real Steric Impact of Triphenylphosphite? Solid-State and Solution Structural Studies ofcis- andtrans-Isomers of M(CO)4[P(OPh)3]2(M = Mo and W)","Organometallics","2007","26","27","6832","","10.1021/om700761q","","","0.71073","MoKα","","0.049","0.0457","","","0.112","0.118","","","","","","1.137","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073977","15.782","","18.16","","9.047","","90","","103.98","","90","","2516.08","","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H25 B Cl2 F4 N2 O2 Ru -","- C22 H25 B Cl2 F4 N2 O2 Ru -","- C88 H100 B4 Cl8 F16 N8 O8 Ru4 -","4","2","","Zuccaccia, Daniele; Foresti, Elisabetta; Pettirossi, Stefania; Sabatino, Piera; Zuccaccia, Cristiano; Macchioni, Alceo","From Ion Pairs to Ion Triples through a Hydrogen Bonding-Driven Aggregative Process","Organometallics","2007","26","25","6099","","10.1021/om700775u","","","0.71073","MoKα","","0.0667","0.0488","","","0.1303","0.1394","","","","","","1.214","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073994","11.8592","0.0003","11.2504","0.0003","14.1065","0.0004","90","","94.708","0.001","90","","1875.75","0.09","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H51 N O6 P2 Re2 -","- C33 H51 N O6 P2 Re2 -","- C66 H102 N2 O12 P4 Re4 -","2","1","","Adams, Richard D.; Captain, Burjor; Pellechia, Perry J.","Studies of Ligand Additions to Coordinatively Unsaturated Dirhenium Complexes Containing the Bulky PBut3Ligand","Organometallics","2007","26","26","6564","","10.1021/om700790c","","","0.71073","MoKα","","0.0184","0.0174","","","0.0387","0.0487","","","","","","1.055","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074010","11.0237","0.0009","11.0373","0.0007","13.7107","0.0011","90","","90.076","0.006","90","","1668.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(hapto^6^-p-Cymene)[N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin- kappaN-6-yl)-N'-kappaN-(2-hydroxybenzylidene)azine]chlororuthenium(II) chloride ethanol solvate","","- C35 H37 Br Cl2 N4 O2 Ru -","- C35 H37 Br Cl2 N4 O2 Ru -","- C70 H74 Br2 Cl4 N8 O4 Ru2 -","2","1","","Schmid, Wolfgang F.; John, Roland O.; Arion, Vladimir B.; Jakupec, Michael A.; Keppler, Bernhard K.","Highly Antiproliferative Ruthenium(II) and Osmium(II) Arene Complexes with Paullone-Derived Ligands","Organometallics","2007","26","26","6643","","10.1021/om700813c","","","0.71073","MoKα","","0.0493","0.0355","","","0.0629","0.0672","","","","","","1.019","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074011","11.092","0.001","11.1604","0.0008","13.9373","0.0011","90","","90.296","0.006","90","","1725.3","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(hapto^6^-p-Cymene)[N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin- kappaN-6-yl)-N'-kappaN-(2-hydroxybenzylidene)azine]chloroosmium(II) chloride ethanol solvate","","- C35 H37 Br Cl2 N4 O2 Os -","- C35 H37 Br Cl2 N4 O2 Os -","- C70 H74 Br2 Cl4 N8 O4 Os2 -","2","1","","Schmid, Wolfgang F.; John, Roland O.; Arion, Vladimir B.; Jakupec, Michael A.; Keppler, Bernhard K.","Highly Antiproliferative Ruthenium(II) and Osmium(II) Arene Complexes with Paullone-Derived Ligands","Organometallics","2007","26","26","6643","","10.1021/om700813c","","","0.71073","MoKα","","0.095","0.0508","","","0.0787","0.0923","","","","","","0.959","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074039","10.157","0.003","22.071","0.005","11.089","0.003","90","","102.398","0.005","90","","2427.9","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45.25 H43.5 Cl2.5 I2 N3 P2 Pt -","- C45.25 H43.5 Cl2.5 I2 N3 P2 Pt -","- C90.5 H87 Cl5 I4 N6 P4 Pt2 -","2","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Marinetti, Angela","N-Heterocyclic Carbenes in the Synthesis of Axially Chiral Square-Planar Platinum Complexes","Organometallics","2007","26","24","5782","","10.1021/om700839y","","","0.71069","MoKα","","0.0888","0.0731","","","0.1929","0.2066","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074040","10.641","0.001","12.912","0.002","12.076","0.002","90","","92.034","0.003","90","","1658.2","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H40 Cl2 I2 N2 P2 Pt -","- C25 H40 Cl2 I2 N2 P2 Pt -","- C50 H80 Cl4 I4 N4 P4 Pt2 -","2","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Marinetti, Angela","N-Heterocyclic Carbenes in the Synthesis of Axially Chiral Square-Planar Platinum Complexes","Organometallics","2007","26","24","5782","","10.1021/om700839y","","","0.71069","MoKα","","0.0524","0.0383","","","0.075","0.081","","","","","","1.047","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074046","11.139","0.002","12.076","0.002","16.788","0.003","90","","95.22","0.03","90","","2248.9","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H51 N2 P2 Ru -","- C55 H44 N2 P2 Ru -","- C110 H88 N4 P4 Ru2 -","2","1","","Hadzovic, Alen; Song, Datong; MacLaughlin, Christina M.; Morris, Robert H.","A Mechanism Displaying Autocatalysis: The Hydrogenation of Acetophenone Catalyzed by RuH(S-binap)(app) Where app Is the Amido Ligand Derived from 2-Amino-2-(2-pyridyl)propane","Organometallics","2007","26","24","5987","","10.1021/om700849w","","","0.71073","MoKα","","0.0482","0.0431","","","0.1114","0.1156","","","","","","1.07","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074080","11.2711","0.0019","6.6473","0.0011","13.145","0.002","90","","114.252","0.002","90","","897.9","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 F3 N O3 -","- C18 H24 F3 N O3 -","- C36 H48 F6 N2 O6 -","2","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Efficient Asymmetric Carbonyl-Ene Reactions Catalyzed by Platinum Metal Lewis Acid Complexes of Conformationally Flexible NUPHOS Diphosphines: A Comparison with BINAP","Organometallics","2007","26","25","6453","","10.1021/om700954s","","","0.6911","synchrotron","","0.0738","0.0666","","","0.1894","0.1983","","","","","","1.128","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074144","11.167","0.002","6.579","0.001","11.698","0.002","90","","109.232","0.005","90","","811.5","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 I Mn O6 -","- C14 H14 I Mn O6 -","- C28 H28 I2 Mn2 O12 -","2","1","","Ferber, Benoît; Top, Siden; Vessières, Anne; Welter, Richard; Jaouen, Gérard","Synthesis of Optically Pureo-Formylcyclopentadienyl Metal Complexes of 17α-Ethynylestradiol. Recognition of the Planar Chirality by the Estrogen Receptor","Organometallics","2006","25","24","5730","","10.1021/om060438t","","","0.71069","MoKα","","0.0295","0.0275","","","0.0839","0.0935","","","","","","1.022","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074231","9.6011","0.0019","9.874","0.002","15.963","0.003","90","","91.95","0.03","90","","1512.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 Co2 O6 Si4 -","- C23 H32 Co2 O6 Si4 -","- C46 H64 Co4 O12 Si8 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0347","0.0329","","","0.0669","0.0675","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074241","15.84","0.003","9.4226","0.0019","15.874","0.003","90","","111.46","0.03","90","","2205","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H27 Co Ge O4 Si3 -","- C13 H27 Co Ge O4 Si3 -","- C52 H108 Co4 Ge4 O16 Si12 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0766","0.0746","","","0.1763","0.1782","","","","","","1.129","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074254","10.605","0.005","16.487","0.007","12.692","0.006","90","","92.591","0.006","90","","2216.9","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H56 Dy2 N2 O3 S2 -","- C44 H56 Dy2 N2 O3 S2 -","- C88 H112 Dy4 N4 O6 S4 -","2","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0605","0.0494","","","0.1205","0.129","","","","","","0.998","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074362","8.182","0.0008","15.327","0.0012","11.917","0.0016","90","","108.192","0.008","90","","1419.8","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl2 N4 Pd -","- C11 H16 Cl2 N4 Pd -","- C44 H64 Cl8 N16 Pd4 -","4","2","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0251","0.0231","","","0.0565","0.0578","","","","","","1.08","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074404","12.549","0.0009","23.1943","0.0016","18.1986","0.0012","90","","96.711","0.001","90","","5260.7","0.6","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H75 P3 Pt -","- C48 H74.5 P3 Pt -","- C192 H298 P12 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0568","0.0472","","","0.1141","0.1191","","","","","","1.034","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074410","10.049","0.002","40.208","0.008","10.13","0.002","90","","107.384","0.003","90","","3906.1","1.3","208","2","208","2","","","","","","","","6","P 1 21 1","P 2yb","4","glu224","glu224","","- C75 H116 Cl2 O2 P6 Pt2 -","- C75 H116 Cl2 O2 P6 Pt2 -","- C150 H232 Cl4 O4 P12 Pt4 -","2","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0529","0.0491","","","0.1161","0.1176","","","","","","1.088","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074423","10.729","0.0011","9.608","0.001","11.287","0.0011","90","","92.169","0.002","90","","1162.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CS592","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C52 H58 O6 P2 -","2","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0438","0.0414","","","0.1003","0.1019","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4074424","9.7369","0.0014","19.017","0.003","15.778","0.002","90","","91.064","0.003","90","","2921.1","0.7","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 P3 Pt -","- C31 H41 P3 Pt -","- C124 H164 P12 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0302","0.0287","","","0.064","0.0646","","","","","","0.961","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074452","9.8459","0.0003","18.3293","0.0006","11.4953","0.0003","90","","90.785","0.002","90","","2074.34","0.11","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H45 F6 N3 Rh Sb -","- C46 H45 F6 N3 Rh Sb -","- C92 H90 F12 N6 Rh2 Sb2 -","2","1","","Faller, J. W.; Fontaine, Philip P.","Stereodynamics and Asymmetric Hydrosilylation with Chiral Rhodium Complexes Containing a Monodentate N-Heterocyclic Carbene","Organometallics","2006","25","25","5887","","10.1021/om060650x","","","0.7107","MoKα","","0.0467","0.037","","0.039","","0.038","","","1.835","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074479","9.4657","0.0006","16.7741","0.001","9.6448","0.0006","90","","102.54","0.001","90","","1494.86","0.16","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl2 N O2 Zr -","- C29 H43 Cl2 N O2 Zr -","- C58 H86 Cl4 N2 O4 Zr2 -","2","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.116","0.0669","","","0.1246","0.1396","","","","","","0.874","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074585","8.0597","0.0004","13.7541","0.0006","12.0198","0.0005","90","","105.76","0.001","90","","1282.35","0.1","218","2","218","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H41 N4 P2 Pt -","- C22 H41 N4 P2 Pt -","- C44 H82 N8 P4 Pt2 -","2","1","","Grotjahn, Douglas B.; Gong, Yi; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Bifunctional Imidazolylphosphine Ligands as Hydrogen Bond Donors Promote N−H and O−H Activation on Platinum","Organometallics","2006","25","24","5693","","10.1021/om060880b","","","0.71073","MoKα","","0.0202","0.0196","","","0.0461","0.0463","","","","","","0.819","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074586","15.938","0.002","11.065","0.0015","16.233","0.002","90","","110.883","0.002","90","","2674.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 N4 O P2 Pt -","- C22 H44 N4 O P2 Pt -","- C88 H176 N16 O4 P8 Pt4 -","4","2","","Grotjahn, Douglas B.; Gong, Yi; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Bifunctional Imidazolylphosphine Ligands as Hydrogen Bond Donors Promote N−H and O−H Activation on Platinum","Organometallics","2006","25","24","5693","","10.1021/om060880b","","","0.71073","MoKα","","0.0273","0.0245","","","0.0531","0.0547","","","","","","0.836","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074606","9.3472","0.0007","13.2935","0.0007","12.8177","0.0007","90","","98.811","0.005","90","","1573.89","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl F6 N P2 Ru -","- C30 H44 Cl F6 N P2 Ru -","- C60 H88 Cl2 F12 N2 P4 Ru2 -","2","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0514","0.0334","","","0.0621","0.0669","","","","","","0.895","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074607","10.3198","0.0008","20.126","0.002","13.0266","0.0004","90","","93.332","0.004","90","","2701","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H36 Cl F6 N P2 Ru -","- C24 H36 Cl F6 N P2 Ru -","- C96 H144 Cl4 F24 N4 P8 Ru4 -","4","2","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0536","0.0353","","","0.0659","0.0711","","","","","","0.859","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074734","13.4972","0.0009","11.6567","0.0008","13.6483","0.0009","90","","109.357","0.001","90","","2025.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H24 Fe2 N2 -","- C25 H24 Fe2 N2 -","- C100 H96 Fe8 N8 -","4","2","","Bertogg, Andreas; Togni, Antonio","A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes","Organometallics","2006","25","3","622","630","10.1021/om050845p","","","0.71073","MoKα","","0.0529","0.0464","","","0.1026","0.1056","","","","","","0.975","","","","has coordinates","209869","2020-10-21","18:00:00",""
"4074773","13.1118","0.0012","21.503","0.003","19.348","0.002","90","","94.862","0.005","90","","5435.4","1.1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H59 P2 Rh Ru S2 Si -","- C57 H58 P2 Rh Ru S2 Si -","- C228 H232 P8 Rh4 Ru4 S8 Si4 -","4","2","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0705","0.0517","","","0.1369","0.1484","","","","","","0.937","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074819","10.373","0.002","9.943","0.002","11.265","0.002","90","","107.692","0.004","90","","1106.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 B P Si -","- C24 H28 B P Si -","- C48 H56 B2 P2 Si2 -","2","1","","Rodríguez, Lara-Isabel; Rossell, Oriol; Seco, Miquel; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè","Carbosilane Dendrimers Peripherally Functionalized with P-Stereogenic Monophosphines. Catalytic Behavior of Their Allylpalladium Complexes in the Asymmetric Hydrovinylation of Styrene","Organometallics","2006","25","6","1368","1376","10.1021/om050915s","","","0.71073","MoKα","","0.0393","0.038","","","0.0972","0.0985","","","","","","1.082","","","","has coordinates","209835","2020-10-21","18:00:00",""
"4074866","11.088","0.006","12.012","0.004","12.627","0.005","90","","101.95","0.04","90","","1645.3","1.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- molybdenum-diruthenium","","- C32 H54 Mo Ru2 -","- C32 H54 Mo Ru2 -","- C64 H108 Mo2 Ru4 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.052","0.0432","","","0.0982","0.1026","","","","","","1.05","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074867","11.116","0.008","12","0.01","12.624","0.01","90","","101.78","0.03","90","","1648","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- diruthenium-tungsten","","- C32 H54 Ru2 W -","- C32 H54 Ru2 W -","- C64 H108 Ru4 W2 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.0355","0.0347","","","0.0871","0.0879","","","","","","1.033","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074870","11.6176","0.0005","8.5768","0.0004","13.8038","0.0006","90","","103.831","0.001","90","","1335.56","0.1","323","2","323","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl2 O P2 Pt -","- C30 H28 Cl2 O P2 Pt -","- C60 H56 Cl4 O2 P4 Pt2 -","2","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0414","0.0355","","","0.0806","0.1098","","","","","","1.072","","","","has coordinates","209819","2020-10-21","18:00:00",""
"4074885","10.3448","0.0007","15.1685","0.0008","11.5034","0.0007","90","","95.782","0.005","90","","1795.87","0.19","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C38 H36 Cl F6 N O P Ru Sb -","- C38 H36 Cl F6 N O P Ru Sb -","- C76 H72 Cl2 F12 N2 O2 P2 Ru2 Sb2 -","2","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0512","0.0427","","","0.1048","0.1112","","","","","","1.079","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074887","10.3493","0.0015","10.9548","0.0016","17.044","0.002","90","","94.73","0.003","90","","1925.8","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H40 F6 N O8 P Ru S2 -","- C36 H40 F6 N O8 P Ru S2 -","- C72 H80 F12 N2 O16 P2 Ru2 S4 -","2","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.6894","synchrotron","","0.0363","0.0347","","","0.0897","0.0909","","","","","","1.023","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074888","9.9134","0.0006","25.1523","0.0015","13.8912","0.0008","90","","99.555","0.001","90","","3415.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H38 F8 N O3 P3 Ru -","- C34 H38 F8 N O3 P3 Ru -","- C136 H152 F32 N4 O12 P12 Ru4 -","4","2","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.049","0.0418","","","0.0828","0.0863","","","","","","1.008","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074900","8.6558","0.0001","16.415","0.0003","10.0677","0.0002","90","","97.3783","0.0006","90","","1418.62","0.04","123","1","123","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H21 B F4 Mo N4 O2 -","- C31 H21 B F4 Mo N4 O2 -","- C62 H42 B2 F8 Mo2 N8 O4 -","2","1","","Pereira, Cláudia C. L.; Costa, Paulo J.; Calhorda, Maria José; Freire, Cristina; Rodrigues, Sandra S.; Herdtweck, Eberhardt; Romão, Carlos C.","Ring Slippage vs Charge Transfer in the Reductive Chemistry of [IndMo(CO)2(α-diimine)]+Cations","Organometallics","2006","25","22","5223","","10.1021/om050986r","","","0.71073","MoKα","","0.0253","0.0233","","","0.046","0.0465","","","","","","1.075","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074920","12.0534","0.0009","14.2223","0.001","13.8876","0.001","90","","90.104","0.002","90","","2380.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 F6 Ir N4 P -","- C20 H30 F6 Ir N4 P -","- C80 H120 F24 Ir4 N16 P4 -","4","2","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.0689","0.0384","","","0.0772","0.0871","","","","","","0.987","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074923","14.154","0.003","20.696","0.004","16.472","0.003","90","","107.22","0.03","90","","4608.9","1.7","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H34 Br4 N4 O3 Ru -","- C37 H32 Br4 N4 O3 Ru -","- C148 H128 Br16 N16 O12 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0973","0.0701","","","0.2025","0.2209","","","","","","1.004","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074924","10.867","0.002","24.938","0.005","17.882","0.004","90","","91.81","0.03","90","","4843.6","1.7","301","2","301","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 Br2 N2 O2 P2 Ru -","- C56 H48 Br2 N2 O2 P2 Ru -","- C224 H192 Br8 N8 O8 P8 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0571","0.0344","","","0.078","0.0991","","","","","","0.918","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074925","8.447","0.0017","16.42","0.003","27.958","0.006","90","","93.96","0.03","90","","3868.5","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27.5 H29 Br2 Cl5 N4 O3 Ru -","- C27.5 H29 Br2 Cl5 N4 O3 Ru -","- C110 H116 Br8 Cl20 N16 O12 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.089","0.068","","","0.1889","0.2023","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074926","16.799","0.007","14.783","0.006","17.33","0.007","90","","102.725","0.009","90","","4198","3","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C76 H66 Cl6 I8 N8 O4 Ru2 -","- C76 H65 Cl6 I8 N8 O4 Ru2 -","- C152 H130 Cl12 I16 N16 O8 Ru4 -","2","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.1242","0.0555","","","0.1229","0.1579","","","","","","0.964","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074940","6.8794","0.0006","9.2704","0.0008","9.0919","0.0008","90","","109.061","0.001","90","","548.04","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 Cl2 O Ti -","- C9 H14 Cl2 O Ti -","- C18 H28 Cl4 O2 Ti2 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0491","0.0362","","","0.0889","0.0958","","","","","","1.015","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4075000","10.2803","0.0004","12.4823","0.0005","17.2317","0.0008","90","","96.39","0.002","90","","2197.47","0.16","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 B N3 O2 -","- C24 H24 B N3 O2 -","- C96 H96 B4 N12 O8 -","4","2","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0746","0.0481","","","0.1104","0.125","","","","","","1.022","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075002","9.257","0.0002","12.642","0.0003","7.138","0.0002","90","","109.035","0.001","90","","789.66","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound2b","(2-trimethylsilylphenyl)trimethylphosphonium iodide","","- C12 H22 I P Si -","- C12 H22 I P Si -","- C24 H44 I2 P2 Si2 -","2","1","","Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke","Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides","Organometallics","2006","25","9","2390","","10.1021/om051080o","","","0.71069","MoKα","","0.0206","0.0189","","","0.0603","0.0705","","","","","","1.289","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075062","7.5508","0.0016","14.336","0.003","15.891","0.004","90","","103.788","0.003","90","","1670.6","0.7","113.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 S2 -","- C21 H14 N2 S2 -","- C84 H56 N8 S8 -","4","2","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0805","","","","0.1455","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075184","9.3294","0.0001","10.0515","0.0002","12.3944","0.0002","90","","110.103","0.0007","90","","1091.47","0.03","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 N2 O P S -","- C20 H37 N2 O P S -","- C40 H74 N4 O2 P2 S2 -","2","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0394","0.0375","","","0.0978","0.0991","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075276","8.3014","0.0002","11.3832","0.0002","12.9936","0.0003","90","","92.894","0.001","90","","1226.28","0.05","100","","100","","","","","","","","diethylether/dichloromethane","6","P 1 21 1","P 2yb","4","","η^3^-allyl-trimethylphosphite-nickel(ii)-hexafluorophosphate","","- C12 H32 F6 Ni O9 P4 -","- C12 H32 F6 Ni O9 P4 -","- C24 H64 F12 Ni2 O18 P8 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0287","0.0269","","","0.0691","0.0701","","","","","","1.041","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075277","10.7181","0.0002","8.1124","0.0001","12.6683","0.0002","90","","96.078","0.001","90","","1095.31","0.03","100","","100","","","","","","","","dichloromethane/diethylether","6","P 1 21 1","P 2yb","4","","η^3^-allyl-trimethylphosphite-nickel(ii)-bromide","","- C12 H32 Br Ni O9 P3 -","- C12 H32 Br Ni O9 P3 -","- C24 H64 Br2 Ni2 O18 P6 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0721","0.0496","","","0.0791","0.0857","","","","","","1.028","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075333","19.639","0.004","9.7366","0.0017","20.438","0.004","90","","110.208","0.003","90","","3667.5","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35.25 H58 Cl N O P2 Ru -","- C35.25 H55 Cl N O P2 Ru -","- C141 H220 Cl4 N4 O4 P8 Ru4 -","4","2","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0813","0.0579","","","0.1279","0.1368","","","","","","0.995","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075342","10.615","0.005","29.5","0.005","19.502","0.005","90","0.005","95.533","0.005","90","0.005","6078","3","153","2","153","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","RuC60Me5Clprophos","","- C92 H41 Cl P2 Ru -","- C92 H41 Cl P2 Ru -","- C368 H164 Cl4 P8 Ru4 -","4","2","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","2832","10.1021/om060234c","","x-ray","0.71069","MoKα","","0.0847","0.0776","","","0.2109","0.2228","","","","","","1.038","","","","has coordinates","209802","2020-10-21","18:00:00",""
"4075343","10.586","0.0003","26.756","0.0013","21.893","0.0009","90","","94.366","0.003","90","","6183","0.4","153","2","153","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C99 H49 Br P2 Ru -","- C99 H49 Br P2 Ru -","- C396 H196 Br4 P8 Ru4 -","4","2","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","2832","10.1021/om060234c","","x-ray","0.71073","MoKα","","0.062","0.057","","","0.1461","0.1517","","","","","","1.039","","","","has coordinates","209802","2020-10-21","18:00:00",""
"4075427","11.8347","0.0011","11.6956","0.0015","14.5993","0.0016","90","","102.316","0.01","90","","1974.2","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C96 H100 N12 O4 -","4","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0599","0.0427","","","0.0938","0.1019","","","","","","1.102","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075471","9.9065","0.0009","20.0341","0.0017","18.2344","0.0017","90","","103.196","0.003","90","","3523.4","0.5","128","2","128","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H48 F3 N O3 P2 S Ti -","- C31 H47.5 F3 N O3 P2 S Ti -","- C124 H190 F12 N4 O12 P8 S4 Ti4 -","4","2","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.0936","0.0576","","","0.1123","0.1249","","","","","","0.869","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075474","9.363","0.0003","25.2755","0.0008","9.6082","0.0003","90","","112.724","0.001","90","","2097.32","0.12","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 Be N2 -","- C23 H30 Be N2 -","- C92 H120 Be4 N8 -","4","2","","Gottfriedsen, Jochen; Blaurock, Steffen","The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)","Organometallics","2006","25","15","3784","","10.1021/om0603114","","","0.71073","MoKα","","0.0787","0.0589","","","0.1563","0.1686","","","","","","1.109","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075617","10.1166","0.0009","16.5993","0.0017","10.9799","0.0011","90","","110.6","0.002","90","","1725.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(SIPr)Cu(OAc)","","","- C35 H47 Cu N2 O2 -","- C35 H47 Cu N2 O2 -","- C70 H94 Cu2 N4 O4 -","2","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0859","0.0593","","","0.1361","0.1548","","","","","","1.013","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075666","8.501","0.001","16.337","0.001","13.545","0.001","90","","94.05","0.001","90","","1876.4","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H41 Br Cl3 N O P2 Pt -","- C38 H41 Br Cl3 N O P2 Pt -","- C76 H82 Br2 Cl6 N2 O2 P4 Pt2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0456","0.039","","","0.0963","0.1001","","","","","","1.005","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075758","11.779","0.0001","16.7882","0.0001","19.3921","0.0001","90","","90.746","0.0003","90","","3834.43","0.04","100","","100","","","","","","","","diethylether/dichloromethane","8","P 1 21 1","P 2yb","4","","(μ~2~-chloro)-bis[(η^3^-allyl)-(1,3-tert-butyl-imidazol- 2-ylidene)-palladium] hexafluorophosphate demi-diethylether demi-dichloromethane solvate","","- C61 H112 Cl4 F12 N8 O P2 Pd4 -","- C61 H112 Cl4 F12 N8 O P2 Pd4 -","- C122 H224 Cl8 F24 N16 O2 P4 Pd8 -","2","1","","Ding, Yuqiang; Goddard, Richard; Pörschke, Klaus-Richard","Cationic Dinuclear Pd−Allyl−Halide Complexes with N-Heterocyclic Carbenes","Organometallics","2005","24","3","439","","10.1021/om049317o","","","0.71073","MoKα","","0.036","0.0335","","","0.0837","0.0853","","","","","","1.039","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075830","12.644","0.002","14.45","0.003","13.141","0.003","90","","118.007","0.003","90","","2119.8","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","4,6-Dilithiodibenzofuran-1.5(tmeda)","","","- C42 H60 Li4 N6 O2 -","- C42 H60 Li4 N6 O2 -","- C84 H120 Li8 N12 O4 -","2","1","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.138","0.0814","","","0.1611","0.1876","","","","","","1.003","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075904","10.783","0.002","7.306","0.001","13.147","0.002","90","","104.39","0.02","90","","1003.2","0.3","178.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis-[(4aR,8aR)-4a,8a-Dimethyl-1,4a,5,8a-tetrahydro-naphthalene-2,6-dione]-palladium(0)","","- C24 H28 O4 Pd -","- C24 H28 O4 Pd -","- C48 H56 O8 Pd2 -","2","1","","Grundl, Marc A.; Kennedy-Smith, Joshua J.; Trauner, Dirk","Rational Design of a Chiral Palladium(0) Olefin Complex of Unprecedented Stability","Organometallics","2005","24","12","2831","","10.1021/om050277d","","x-ray","0.7107","MoKα","","0.0508","0.0433","","0.0521","","0.0506","","","","","","1.74","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076081","11.647","0.003","23.066","0.005","19.835","0.004","90","","102.196","0.004","90","","5208","2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H52 Cl6 N2 O8 P2 Pt -","- C48 H52 Cl6 N2 O8 P2 Pt -","- C192 H208 Cl24 N8 O32 P8 Pt4 -","4","2","","Doherty, Simon; Goodrich, Peter; Hardacre, Christopher; Luo, He−Kuan; Nieuwenhuyzen, Mark; Rath, Rakesh K.","Lewis Acid Platinum Complexes of Conformationally Flexible NUPHOS Diphosphines: Highly Efficient Catalysts for the Carbonyl−Ene Reaction","Organometallics","2005","24","24","5945","","10.1021/om0505716","","","0.71073","MoKα","","0.053","0.0413","","","0.0849","0.0903","","","","","","0.976","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076146","9.8089","0.0018","22.226","0.004","10.107","0.002","90","","99.354","0.019","90","","2174.2","0.7","161","2","161","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Fe2 Hg4 N -","- C36 H52 Cl5 Fe2 Hg4 N -","- C72 H104 Cl10 Fe4 Hg8 N2 -","2","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0625","0.0483","","","0.0871","0.0923","","","","","","1.303","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4076191","9.794","0.001","16.2939","0.0016","10.968","0.0011","90","","103.488","0.002","90","","1702","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28.86 H39.74 Ag Cl4.74 N2 -","- C28.857 H39.714 Ag Cl4.714 N2 -","- C57.714 H79.428 Ag2 Cl9.428 N4 -","2","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0544","0.0519","","","0.1295","0.1312","","","","","","1.075","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076192","11.169","","7.178","","28.218","","90","","90.36","","90","","2262.22","","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N3 O6 Pd -","- C21 H29 N3 O6 Pd -","- C84 H116 N12 O24 Pd4 -","4","2","","Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.","Observed Instability of Bound Pybox Ligands towards Acetate Counterions","Organometallics","2005","24","24","6051","","10.1021/om050755k","","","0.7107","MoKα","","0.0811","0.0588","","","0.138","0.1659","","","","","","1.109","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076199","12.6741","0.0019","17.383","0.003","24.089","0.004","90","","97.102","0.003","90","","5266.4","1.5","211","2","211","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C102 H160 Fe2 Li2 N6 O8.5 -","- C102 H160 Fe2 Li2 N6 O8.5 -","- C204 H320 Fe4 Li4 N12 O17 -","2","1","","Scott, Jennifer; Gambarotta, Sandro; Korobkov, Ilia; Budzelaar, Peter H. M.","Reduction of (Diiminopyridine)iron: Evidence for a Noncationic Polymerization Pathway?","Organometallics","2005","24","26","6298","","10.1021/om0507833","","","0.71073","MoKα","","0.0803","0.0665","","","0.1626","0.1713","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076234","14.0041","0.0001","15.2164","0.0002","15.6346","0.0002","90","","90.612","0.001","90","","3331.42","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H108 O11 Ti2 -","- C62 H97 O9 Ti2 -","- C124 H194 O18 Ti4 -","2","1","","Waltz, Karen M.; Carroll, Patrick J.; Walsh, Patrick J.","Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde","Organometallics","2004","23","1","127","","10.1021/om034107h","","","0.71069","MoKα","","0.083","0.0731","","0.2025","0.1914","","","","1.102","1.124","1.124","","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076291","7.772","0.002","13.838","0.004","8.312","0.002","90","","93.343","0.002","90","","892.4","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 B N Ru -","- C20 H24 B N Ru -","- C40 H48 B2 N2 Ru2 -","2","1","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","1,2-Azaboratabenzene: A Heterocyclic π-Ligand with an Adjustable Basicity at Nitrogen","Organometallics","2004","23","23","5626","5629","10.1021/om049399g","","","0.71073","MoKα","","0.0286","0.0274","","","0.0692","0.0704","","","","","","1.014","","","","has coordinates,has disorder","209934","2020-10-21","18:00:00",""
"4076395","9.972","0.0006","19.5503","0.001","10.5346","0.0006","90","","114.459","0.003","90","","1869.47","0.19","230","2","230","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H59 Lu N4 O Si2 -","- C33 H59 Lu N4 O Si2 -","- C66 H118 Lu2 N8 O2 Si4 -","2","1","","Otero, Antonio; Lara-Sánchez, Agustín; Nájera, Carmen; Fernández-Baeza, Juan; Márquez-Segovia, Isabel; Castro-Osma, José Antonio; Martínez, Javier; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","New Highly Active Heteroscorpionate-Containing Lutetium Catalysts for the Hydroamination of Aminoalkenes: Isolation and Structural Characterization of a Dipyrrolidinide‒Lutetium Complex","Organometallics","2012","31","6","2244","","10.1021/om2011672","","","0.71073","MoKα","","0.0757","0.0637","","","0.1498","0.1572","","","","","","1.057","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076435","12.1498","0.0003","17.4739","0.0004","18.4022","0.0005","90","","100.35","0.002","90","","3843.3","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H56 Cl2 Fe N4 O -","- C39 H56 Cl2 Fe N4 O -","- C156 H224 Cl8 Fe4 N16 O4 -","4","2","","E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J.","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Organometallics","2012","31","6","2275","2285","10.1021/om201212m","","","1.54178","CuKα","","0.0408","0.0381","","","0.0941","0.0955","","","","","","1.066","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076453","12.0722","0.0007","7.4578","0.0005","15.2042","0.001","90","","92.184","0.005","90","","1367.87","0.15","105","","105","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe2 P Se -","- C34 H31 Fe2 P Se -","- C68 H62 Fe4 P2 Se2 -","2","1","","Lohan, Manja; Milde, Bianca; Heider, Silvio; Speck, J. Matthäus; Krauße, Sabrina; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions","Organometallics","2012","31","6","2310","","10.1021/om201220w","","","1.54184","CuKα","","0.0451","0.0441","","","0.1163","0.1172","","","","","","1.045","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076588","15.0289","0.0009","8.1008","0.0002","19.3668","0.0007","90","","90.147","0.004","90","","2357.82","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H10 B F15 -","- C26 H10 B F15 -","- C104 H40 B4 F60 -","4","2","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0484","0.0474","","","0.1204","0.1214","","","","","","1.045","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076593","15.6647","0.0003","15.127","0.0003","17.1338","0.0004","90","","91.22","0.002","90","","4059.1","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)]2}*THF","","- C72 H114 K N6 O7 P7 -","- C72 H114 K N6 O7 P7 -","- C144 H228 K2 N12 O14 P14 -","2","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.5418","CuKα","","0.0749","0.0629","","","0.1706","0.1835","","","","","","1.018","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076631","14.9158","0.0005","17.2044","0.0008","18.3523","0.0006","90","","97.04","0.003","90","","4674","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H38 Cl6 N2 Ni O4 -","- C48 H36 N2 Ni O4 -","- C192 H144 N8 Ni4 O16 -","4","2","","DiMauro, Erin F.; Kozlowski, Marisa C.","Late-Transition-Metal Complexes of BINOL-Derived Salens: Synthesis, Structure, and Reactivity","Organometallics","2002","21","7","1454","","10.1021/om010571f","","","0.71069","MoKα","","0.11","0.0948","","0.2414","0.2276","","","","1.075","1.123","1.123","","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076658","15.4988","0.0007","15.0315","0.0005","15.852","0.0007","90","","102.868","0.002","90","","3600.3","0.3","126.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C85 H78 Cl2 O4 P2 Pt -","- C80 Cl2 O4 P2 Pt -","- C160 Cl4 O8 P4 Pt2 -","2","1","","Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi","Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions","Organometallics","2002","21","6","1158","","10.1021/om010882q","","","0.7107","MoKα","","","0.104","","","","0.143","","","","","","2.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076683","14.183","0.001","14.065","0.001","14.911","0.001","90","","103.209","0.001","90","","2895.8","0.3","236","2","236","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H80 N8 O3 Yb4 -","- C64 H80 N8 O3 Yb4 -","- C128 H160 N16 O6 Yb8 -","2","1","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.0436","0.0319","","","0.0558","0.0572","","","","","","1.01","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076739","9.198","0.0002","9.415","0.0002","13.59","0.0004","90","","106.379","0.001","90","","1129.12","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 B2 O5 -","- C21 H34 B2 O5 -","- C42 H68 B4 O10 -","2","1","","Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris","Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥","Organometallics","2002","21","9","1870","","10.1021/om011012b","","","0.71073","MoKα","","0.0481","0.0382","","","0.0969","0.1044","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076745","10.0292","0.0002","16.2023","0.0002","11.6971","0.0002","90","","94.761","0.001","90","","1894.17","0.06","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C42 H34 B Cl I N O2 Os P2 -","- C42 H34 B Cl I N O2 Os P2 -","- C84 H68 B2 Cl2 I2 N2 O4 Os2 P4 -","2","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Osmium Boryl Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Hydroxypyridine","Organometallics","2002","21","8","1714","","10.1021/om011029u","","","0.71073","MoKα","","0.0201","0.0193","","","0.0513","0.0527","","","","","","0.79","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076757","9.9402","0.0009","16.4924","0.0014","15.1391","0.0013","90","","105.424","0.001","90","","2392.5","0.4","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","Me4-ansachromocene(CO) + B(RF)4","","","- C49 H32 B Cr F24 O -","- C49 H32 B Cr F24 O -","- C98 H64 B2 Cr2 F48 O2 -","2","1","","Foo, David M. J.; Sinnema, Piet-Jan; Twamley, Brendan; Shapiro, Pamela J.","Isolation of a Stableansa-Chromocene(III) Carbonyl Cation and Characterization of a Transient, Cationicansa-Chromocene(IV) Carbonyl Hydride","Organometallics","2002","21","6","1005","","10.1021/om011066l","","","0.71073","MoKα","","0.0617","0.0534","","","0.1427","0.1494","","","","","","1.067","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076825","10.007","0.004","17.243","0.006","10.643","0.004","90","","104.21","0.01","90","","1780.3","1.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CpRu(eta4-CH(C6H9)CHC(C6H9)CH-PPh2(eta1-C6H4))]PF6","","","- C39 H40 F6 P2 Ru -","- C39 H40 F6 P2 Ru -","- C78 H80 F12 P4 Ru2 -","2","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0502","0.0384","","","0.0912","0.0973","","","","","","1.005","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076826","8.138","0.003","10.724","0.004","14.922","0.006","90","","104.23","0.02","90","","1262.3","0.8","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CpRu(eta3-CHCHCH-CH2PPh2-eta2-C6H4)]PF6","","","- C27 H24 F6 P2 Ru -","- C27 H24 F6 P2 Ru -","- C54 H48 F12 P4 Ru2 -","2","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0416","0.0341","","","0.0743","0.0793","","","","","","1.117","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076857","8.6141","0.0003","16.0382","0.0008","9.9644","0.0003","90","","109.099","0.002","90","","1300.85","0.09","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 Cl Si2 Ti -","- C26 H41 Cl Si2 Ti -","- C52 H82 Cl2 Si4 Ti2 -","2","1","","Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)","Organometallics","2002","21","13","2639","","10.1021/om020150d","","","0.71073","MoKα","","0.051","0.0449","","","0.1133","0.1183","","","","","","1.066","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076882","6.757","0.0001","13.2078","0.0002","18.1298","0.0003","90","","97.301","0.001","90","","1604.88","0.04","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H33 Co F12 Fe N2 O P2 -","- C27 H33 Co F12 Fe N2 O P2 -","- C54 H66 Co2 F24 Fe2 N4 O2 P4 -","2","1","","González, Blanca; Cuadrado, Isabel; Alonso, Beatriz; Casado, Carmen M.; Morán, Moisés; Kaifer, Angel E.","Mixed Cobaltocenium−Ferrocene Heterobimetallic Complexes and Their Binding Interactions with β-Cyclodextrin. A Three-State, Host−Guest System under Redox Control","Organometallics","2002","21","17","3544","","10.1021/om0202064","","","1.54178","CuKα","","0.0455","0.0382","","","0.0856","0.088","","","","","","0.925","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076889","16.7213","0.0008","13.6135","0.0003","18.8588","0.001","90","","115.789","0.002","90","","3865.4","0.3","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H80 Cl2 O2 P4 Rh2 -","- C96 H80 Cl2 O2 P4 Rh2 -","- C192 H160 Cl4 O4 P8 Rh4 -","2","1","","Bunten, Kevin A.; Farrar, David H.; Poë, Anthony J.; Lough, Alan","Stoichiometric and Catalytic Oxidation of BINAP by Dioxygen in a Rhodium(I) Complex","Organometallics","2002","21","16","3344","","10.1021/om020241a","","","0.71073","MoKα","","0.0752","0.0506","","","0.1008","0.1113","","","","","","1.023","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076890","11.771","0.0003","11.567","0.0003","13.848","0.0004","90","","110.17","0.0014","90","","1769.85","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H32 Cl O P2 Rh -","- C45 H32 Cl O P2 Rh -","- C90 H64 Cl2 O2 P4 Rh2 -","2","1","","Bunten, Kevin A.; Farrar, David H.; Poë, Anthony J.; Lough, Alan","Stoichiometric and Catalytic Oxidation of BINAP by Dioxygen in a Rhodium(I) Complex","Organometallics","2002","21","16","3344","","10.1021/om020241a","","","0.7122","MoKα","","0.0377","0.0294","","","0.0604","0.0622","","","","","","1.053","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00",""
"4076891","11.9532","0.0004","11.7459","0.0004","13.5388","0.0004","90","","108.612","0.0018","90","","1801.45","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H32 Cl O2 P2 Rh -","- C45 H32 Cl O2 P2 Rh -","- C90 H64 Cl2 O4 P4 Rh2 -","2","1","","Bunten, Kevin A.; Farrar, David H.; Poë, Anthony J.; Lough, Alan","Stoichiometric and Catalytic Oxidation of BINAP by Dioxygen in a Rhodium(I) Complex","Organometallics","2002","21","16","3344","","10.1021/om020241a","","","0.7122","MoKα","","0.0642","0.0436","","","0.0848","0.0905","","","","","","0.99","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076895","14.144","0.0004","31.3152","0.0008","9.5739","0.0002","90","","108.074","0.001","90","","4031.25","0.18","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 1e","","","- C35 H61 B Co N6 Si -","- C35 H61 B Co N6 Si -","- C140 H244 B4 Co4 N24 Si4 -","4","2","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.0876","0.0518","","","0.1283","0.1438","","","","","","0.776","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076930","11.7751","0.0009","24.9675","0.0019","13.3708","0.0009","90","","102.54","0.002","90","","3837.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H108 B20 Gd Li5 O9 -","- C56 H108 B20 Gd Li5 O9 -","- C112 H216 B40 Gd2 Li10 O18 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1363","0.0961","","","0.2231","0.2454","","","","","","0.955","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076931","11.7437","0.0018","24.878","0.004","13.357","0.002","90","","102.386","0.004","90","","3811.5","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H116 B20 Er Li5 O10 -","- C58.15 H112.3 B20 Er Li5 O9.34 -","- C116.3 H224.6 B40 Er2 Li10 O18.68 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1731","0.074","","","0.1493","0.1878","","","","","","0.882","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076944","9.4363","0.0008","15.829","0.001","10.5619","0.0008","90","","110.804","0.001","90","","1474.74","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H42 B11 N3 Zr -","- C21 H42 B11 N3 Zr -","- C42 H84 B22 N6 Zr2 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Catalytic Property of Group 4 Metal Carborane Compounds with aiPr2NB-Bridged Constrained-Geometry Ligand","Organometallics","2002","21","19","3850","","10.1021/om020325j","","","0.71073","MoKα","","0.0236","0.0228","","","0.0665","0.0671","","","","","","1.041","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076963","12.474","0.005","18.974","0.008","13.003","0.005","90","","92.68","0.02","90","","3074","2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cp*Ru(PMe(iPr)2)2][BAr'4] - compound no. 3","bis(di-isopropylmethylphosphino)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C56 H61 B F24 P2 Ru -","- C56 H61 B F24 P2 Ru -","- C112 H122 B2 F48 P4 Ru2 -","2","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.0679","0.0605","","","0.1684","0.1789","","","","","","1.022","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076990","11.9833","0.0008","14.923","0.0012","13.5773","0.001","90","","98.407","0.003","90","","2401.9","0.3","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H49 F3 N3 O3 P Pd S -","- C54 H49 F3 N3 O3 P Pd S -","- C108 H98 F6 N6 O6 P2 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0339","0.0287","","","0.0603","0.0616","","","","","","1","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00",""
"4077053","10.9435","0.0009","43.319","0.004","12.4363","0.001","90","","115.977","0.002","90","","5299.9","0.8","159","2","159","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60.5 H79 N2 Ta -","- C60.5 H79 N2 Ta -","- C242 H316 N8 Ta4 -","4","2","","Gavenonis, John; Tilley, T. Don","Tantalum Alkyl and Silyl Complexes of the Bulky (Terphenyl)imido Ligand [2,6-(2,4,6-Me3C6H2)2C6H3N]2-([Ar*N]2-). Generation and Reactivity of [(Ar*N)(Ar*NH)Ta(H)(OSO2CF3)], Which Reversibly Transfers Hydride to an Aromatic Ring of the Arylamide Ligand","Organometallics","2002","21","25","5549","","10.1021/om020509y","","","0.71073","MoKα","","0.0793","0.0506","","0.0895","0.0791","","","","0.942","0.94","0.94","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077096","10.5421","0.0009","14.1772","0.0014","11.9537","0.0013","90","","90.278","0.009","90","","1786.5","0.3","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C34 H39 Cl F6 N O P Rh Sb -","- C34 H39 Cl F6 N O P Rh Sb -","- C68 H78 Cl2 F12 N2 O2 P2 Rh2 Sb2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0432","0.0399","","","0.1011","0.1035","","","","","","1.092","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00",""
"4077098","16.77","0.002","10.3402","0.0014","19.6038","0.0019","90","","99.276","0.009","90","","3354.9","0.7","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl F6 N O P Rh Sb -","- C32 H35 Cl F6 N O P Rh Sb -","- C128 H140 Cl4 F24 N4 O4 P4 Rh4 Sb4 -","4","2","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0434","0.0372","","","0.0951","0.0977","","","","","","1.087","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00",""
"4077101","10.98","0.0011","14.34","0.0017","11.03","0.0015","90","","100.6","0.016","90","","1707.1","0.4","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32 H35 F6 I N O P Rh Sb -","- C32 H35 F6 I N O P Rh Sb -","- C64 H70 F12 I2 N2 O2 P2 Rh2 Sb2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0483","0.0378","","","0.0785","0.0858","","","","","","1.092","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00",""
"4077103","10.611","0.001","14.288","0.001","11.042","0.001","90","","101.129","0.004","90","","1642.6","0.2","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl F6 Ir N O P Sb -","- C32 H35 Cl F6 Ir N O P Sb -","- C64 H70 Cl2 F12 Ir2 N2 O2 P2 Sb2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0363","0.0352","","","0.0891","0.0896","","","","","","1.031","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00",""
"4077104","8.8103","0.0018","15.798","0.003","13.853","0.003","90","","91.39","0.03","90","","1927.6","0.7","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32.5 H36 Cl2 F6 Ir N O P Sb -","- C32.5 H35 Cl2 F5.94 Ir N O P Sb0.99 -","- C65 H70 Cl4 F11.88 Ir2 N2 O2 P2 Sb1.98 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0513","0.0478","","","0.1207","0.1255","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077124","9.466","0.002","16.583","0.002","9.866","0.002","90","","92.97","0.02","90","","1546.6","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H46 P2 Pt -","- C30 H46 P2 Pt -","- C60 H92 P4 Pt2 -","2","1","","Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.","Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond","Organometallics","2002","21","24","5394","","10.1021/om0206507","","","0.71073","MoKα","","0.055","0.033","","0.07","","0.034","","","1.27","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077141","10.3886","0.0005","13.9509","0.0006","11.8759","0.0005","90","","103.952","0.001","90","","1670.4","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","eta1:eta4:eta1-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)Rh][BF4]","","- C38 H34 B F4 O2 P2 Rh -","- C38 H34 B F4 O2 P2 Rh -","- C76 H68 B2 F8 O4 P4 Rh2 -","2","1","","Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.","Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes","Organometallics","2002","21","26","5713","","10.1021/om020739c","","","0.71073","MoKα","","0.0208","0.0201","","","0.0534","0.0536","","","","","","1.031","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077156","10.5638","0.001","9.6335","0.0005","11.0574","0.001","90","","113.37","0.003","90","","1032.96","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 B7 Fe N -","- C19 H28 B7 Fe N -","- C38 H56 B14 Fe2 N2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0824","0.078","","0.2143","0.209","","","","1.1","1.107","1.107","","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077199","8.8385","0.0001","20.9771","0.0002","12.7867","0.0001","90","","91.567","0.001","90","","2369.85","0.04","123","2","123","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","","9,10-Dimethoxy-1,2,3,4,5,6,7,8-octahydro-1,4:5,8-anti-dimethanoanthracene nitrozonium hexachloroantimonate complex","","- C18 H22 Cl6 N O3 Sb -","- C18 H22 Cl6 N O3 Sb -","- C72 H88 Cl24 N4 O12 Sb4 -","4","2","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0459","0.0353","","0.0801","0.0739","","","","1.058","1.049","1.049","","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077252","14.7259","0.0002","20.1809","0.0002","16.4196","0.0002","90","","96.5775","0.0004","90","","4847.49","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H100 B P4 Rh Si4 -","- C88 H100 B P4 Rh Si4 -","- C176 H200 B2 P8 Rh2 Si8 -","2","1","","van den Broeke, Joep; Lutz, Martin; Kooijman, Huub; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Increasing the Lipophilic Character of Tetraphenylborate Anions through Silyl Substituents","Organometallics","2001","20","10","2114","","10.1021/om0009177","","","0.71073","MoKα","","0.0407","0.0348","","","0.0853","0.088","","","","","","1.039","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00",""
"4077320","9.7085","0.0002","13.6008","0.0003","18.1659","0.0004","90","","104.013","0.001","90","","2327.3","0.09","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H33 Cl N6 Zr -","- C21 H33 Cl N6 Zr -","- C84 H132 Cl4 N24 Zr4 -","4","2","","Huang, Jui-Hsien; Chi, Liang-Sheng; Yu, Ru-Ching; Jiang, George J.; Yang, Wei-Ta; Lee, Gene-Hsiang; Peng, Shie-Ming","Zirconium Complexes Containing Bidentate Pyrrole Ligands: Synthesis, Structural Characterization, and Ethylene Polymerization","Organometallics","2001","20","26","5788","","10.1021/om010198b","","","0.71073","MoKα","","0.0407","0.0335","","0.0627","0.0601","","","","1.016","1.026","1.026","","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077326","8.661","0.006","16.427","0.009","11.028","0.008","90","","111.96","0.05","90","","1455.2","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 O10 Os3 P S -","- C25 H17 O10 Os3 P S -","- C50 H34 O20 Os6 P2 S2 -","2","1","","Persson, Roger; Monari, Magda; Gobetto, Roberto; Russo, Andrea; Aime, Silvio; Calhorda, Maria José; Nordlander, Ebbe","Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes","Organometallics","2001","20","20","4150","","10.1021/om010223d","","","0.71069","MoKα","","0.0421","0.0335","","0.0938","0.0904","","","","1.055","1.08","1.08","","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077360","8.6414","0.0002","24.6807","0.0005","11.105","0.0003","90","","92.68","","90","","2365.84","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(eta5:eta1-1-(2-phenyl-2-diphenylphosphinoethyl)indenyl)(carbonyl)rhodium","","- C30 H24 O P Rh -","- C30 H24 O P Rh -","- C120 H96 O4 P4 Rh4 -","4","2","","Brookings, Daniel C.; Harrison, Stephen A.; Whitby, Richard J.; Crombie, Barry; Jones, Ray V. H.","Induction of Planar Chirality in Formation of (η5:η1-1-(1-Cyclohexyl-2-(diphenylphosphino)ethyl)indenyl)carbonylrhodium and (η5:η1-1-(2-Phenyl-2- (diphenylphosphino)ethyl)indenyl)carbonylrhodium","Organometallics","2001","20","22","4574","","10.1021/om010367s","","","0.71073","MoKα","","0.0513","0.0444","","","0.0995","0.1023","","","","","","1.083","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077462","8.083","0.0008","15.5721","0.0012","8.617","0.0005","90","","116.66","0.006","90","","969.3","0.14","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H13 F3 Fe2 N2 O6 S -","- C15 H13 F3 Fe2 N2 O6 S -","- C30 H26 F6 Fe4 N4 O12 S2 -","2","1","","Guennou-de Cadenet, Karine; Rumin, René; Pétillon, François Y.; Muir, Kenneth W.","Carbon−Fluorine Bond Cleavages and Organoiron Ring Transformations: Reaction of a Perfluorosulfanylvinyldiiron(I) Complex with Amines","Organometallics","2000","19","10","1912","","10.1021/om000003k","","","0.71073","MoKα","","0.0433","0.0335","","","0.081","0.0847","","","","","","1.043","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077494","9.7555","0.0015","20.737","0.003","10.4","0.002","90","","107.837","0.001","90","","2002.8","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dichloro{1-{(R)-1-[(S)-2-(diphenylphosphino-(kP)ferrocenyl]ethyl}-3-phenyl-5-methyl-1H-pyrazole-(kN}palladium (2)","","","- C36 H34 Cl7 Fe N2 P Pd -","- C36 H34 Cl7 Fe N2 P Pd -","- C72 H68 Cl14 Fe2 N4 P2 Pd2 -","2","1","","Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio","Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies","Organometallics","2000","19","11","2144","","10.1021/om000130g","","","0.71073","MoKα","","0.0808","0.0642","","0.1936","0.1791","","","","1.007","1.063","1.063","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077496","10.551","0.002","16.746","0.003","11.634","0.002","90","","105.28","0.03","90","","1982.9","0.7","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Bis(trichlorosilyl)-{1-{(R)-1-[(S)-2-(diphenylphosphino-(P)ferrocenyl]ethyl}- 3-(2,4,6-trimethylphenyl)-1H-pyrazole-(N}palladium (6)","","- C36 H35 Cl6 Fe N2 P Pd Si2 -","- C36 H35 Cl6 Fe N2 P Pd Si2 -","- C72 H70 Cl12 Fe2 N4 P2 Pd2 Si4 -","2","1","","Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio","Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies","Organometallics","2000","19","11","2144","","10.1021/om000130g","","","0.71073","MoKα","","0.0767","0.0535","","0.1431","0.1296","","","","1.007","1.055","1.055","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077512","8.9595","0.0002","17.7941","0.0006","12.1757","0.0004","90","","103.688","0.002","90","","1886","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H46 N2 P2 Ru -","- C42 H46 N2 P2 Ru -","- C84 H92 N4 P4 Ru2 -","2","1","","Abdur-Rashid, Kamaluddin; Lough, Alan J.; Morris, Robert H.","Ruthenium Dihydride RuH2(PPh3)2((R,R)-cyclohexyldiamine) and Ruthenium Monohydride RuHCl(PPh3)2((R,R)-cyclohexyldiamine): Active Catalyst and Catalyst Precursor for the Hydrogenation of Ketones and Imines","Organometallics","2000","19","14","2655","","10.1021/om000231e","","","0.71073","MoKα","","0.0455","0.0369","","","0.0648","0.0677","","","","","","1.041","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4077513","9.6698","0.0013","24.129","0.003","10.2718","0.0014","90","","90.724","0.002","90","","2396.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","bis[(m-1,2:5,6-di-O-isopropylidene-D-mannitolate)bis(2-propoxo)titanium(IV)]","","- C36 H68 O16 Ti2 -","- C36 H66 O16 Ti2 -","- C72 H132 O32 Ti4 -","2","1","","You, Jing-Song; Shao, Ming-Yuan; Gau, Han-Mou","Enantioselective Addition of Diethylzinc to Aldehydes Catalyzed by Titanium(IV) Complexes of Diol Derivatives ofd-Mannitol and the Spectroscopic Study of the Catalytic System","Organometallics","2000","19","17","3368","","10.1021/om000265m","","","0.71073","MoKα","","0.0776","0.048","","","0.1111","0.1236","","","","","","1.094","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077622","14.9654","0.0016","37.174","0.003","15.152","0.0015","90","","118.496","0.012","90","","7408.2","1.5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H75.5 Eu Li3 O10.5 -","- C76 H75.5 Eu Li3 O10.5 -","- C304 H302 Eu4 Li12 O42 -","4","2","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.1008","0.0648","","","0.1544","0.1685","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077626","11.873","0.004","12.229","0.009","20.913","0.003","90","","93.68","0.02","90","","3030","2","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 N2 O8.5 S7 W -","- C18 H24 N2 O9 S7 W -","- C72 H96 N8 O36 S28 W4 -","4","2","","Lim, Patrick J.; Cook, Vernon C.; Doonan, Christian J.; Young, Charles G.; Tiekink, Edward R. T.","Transformations Leading to the Generation of Dithiolene Ligands Initiated by Reactions of Sulfur-Rich WS(S2)(S2CNR2)2Complexes with Dimethyl Acetylenedicarboxylate and Phenylacetylene","Organometallics","2000","19","26","5643","","10.1021/om0006561","","","0.7107","MoKalpha","","","0.0421","","","0.0559","","","","","1.919","1.919","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077702","7.67","0.0004","23.433","0.002","11.522","0.0009","90","","91.74","0.005","90","","2069.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H58 B20 Cl O2 Sm -","- C28 H58 B20 Cl O2 Sm -","- C56 H116 B40 Cl2 O4 Sm2 -","2","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0553","0.0532","","0.1603","0.152","","","","0.997","0.997","0.997","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077741","9.0206","0.0015","16.567","0.003","10.5544","0.0017","90","","105.853","0.004","90","","1517.3","0.4","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H31 Fe2 N3 O6 P2 -","- C27 H31 Fe2 N3 O6 P2 -","- C54 H62 Fe4 N6 O12 P4 -","2","1","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.0664","0.0522","","","0.1183","0.1269","","","","","","1.015","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077861","9.5841","0.0005","14.0425","0.0006","15.6167","0.0006","90","","90.828","0.002","90","","2101.55","0.16","200","","200","","","","","","","","?","3","P 1 21 1","P 2yb","4","","4-Phenyl-4,5-dihydro-3H-dinaphtho[2,1-c;1',2'-e]-arsepine","","- C28 H21 As -","- C28 H21 As -","- C112 H84 As4 -","4","2","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0993","0.0284","","0.0604","0.0298","0.0298","","","","","","1.1232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077979","9.1782","0.0019","12.419","0.003","9.2376","0.0019","90","","93.203","0.003","90","","1051.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Fe2 Ge O4 Sn -","- C18 H20 Fe2 Ge O4 Sn -","- C36 H40 Fe4 Ge2 O8 Sn2 -","2","1","","Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei","Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group","Organometallics","2012","31","8","3035","","10.1021/om201151c","","","0.71073","MoKα","","0.014","0.0135","","","0.0302","0.0304","","","","","","1.051","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078061","9.1607","0.0004","14.1667","0.0008","9.6108","0.0004","90","","114.902","0.003","90","","1131.3","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H26 Cl2 N4 O3 Pd -","- C19 H26 Cl2 N4 O3 Pd -","- C38 H52 Cl4 N8 O6 Pd2 -","2","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0332","0.033","","","0.0843","0.0845","","","","","","1.022","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078073","9.3588","0.0004","10.8077","0.0005","10.4727","0.0005","90","","94.896","0.002","90","","1055.42","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H36 N2 O -","- C21 H36 N2 O -","- C42 H72 N4 O2 -","2","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.0332","0.0316","","","0.0812","0.0824","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078128","6.8541","0.0007","5.0843","0.0011","17.21","0.002","90","","95.326","0.009","90","","597.15","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Na O7 Te -","- C7 H15 Na O7 Te -","- C14 H30 Na2 O14 Te2 -","2","1","","Beckmann, Jens; Duthie, Andrew; Gesing, Thorsten M.; Koehne, Tim; Lork, Enno","Depolymerization of Aryltellurinic Anhydrides with Sodium Hydroxide. Synthesis and Structure of the Hydrated Sodium Aryltellurinates [Na(H2O)4](RTeO2) (R = 4-MeOC6H4, 8-Me2NC10H6)","Organometallics","2012","31","8","3451","","10.1021/om300130a","","","0.71073","MoKα","","0.0276","0.0269","","","0.0694","0.07","","","","","","1.018","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078141","10.367","0.0012","6.6771","0.0007","13.6406","0.0015","90","","93.131","0.002","90","","942.81","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl N O2 Os -","- C20 H26 Cl N O2 Os -","- C40 H52 Cl2 N2 O4 Os2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.0475","0.039","","","0.0801","0.0828","","","","","","0.955","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078170","11.063","0.003","14.721","0.004","11.631","0.004","90","","117.106","0.015","90","","1686.2","0.9","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C39 H42 Fe I N P2 -","- C39 H42 Fe I N P2 -","- C78 H84 Fe2 I2 N2 P4 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.0399","0.035","","","0.0774","0.0801","","","","","","1.046","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078171","10.01","0.004","17.66","0.006","10.919","0.004","90","","110.235","0.016","90","","1811.1","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C39 H42 F6 Fe N P3 -","- C39 H42 F6 Fe N P3 -","- C78 H84 F12 Fe2 N2 P6 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.0407","0.038","","","0.091","0.0922","","","","","","1.041","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078173","10.202","0.003","17.204","0.005","11.28","0.003","90","","114.659","0.01","90","","1799.3","0.9","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C37 H40 F6 Fe N P3 -","- C37 H40 F6 Fe N P3 -","- C74 H80 F12 Fe2 N2 P6 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.2153","0.103","","","0.1668","0.2065","","","","","","0.97","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078176","7.202","0.0004","8.2457","0.0005","16.4105","0.0009","90","","93.2572","0.0015","90","","972.97","0.1","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 O4 P -","- C22 H25 O4 P -","- C44 H50 O8 P2 -","2","1","","Motoyama, Kazuki; Ikeda, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium- and Copper-Catalyzed Enantioselective Propargylic Alkylation of Propargylic Alcohols with β-Keto Phosphonates","Organometallics","2012","31","8","3426","","10.1021/om300219f","","","0.71075","MoKα","","","0.0343","","","","0.0808","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078223","15.042","0.003","10.687","0.002","16.519","0.003","90","","115.76","0.03","90","","2391.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H67 O3 P2 Ru -","- C53 H67 O3 P2 Ru -","- C106 H134 O6 P4 Ru2 -","2","1","","Vaquero, Mónica; Vargas, Sergio; Suárez, Andrés; Garc\?ía-Garrido, Sergio E.; Álvarez, Eleuterio; Mancera, Manuel; Pizzano, Antonio","Synthesis, Characterization, and Reactivity of Ruthenium Bis-Allyl Complexes with Chiral Phosphine-Phosphite Ligands","Organometallics","2012","31","9","3551","","10.1021/om300018s","","","0.71073","MoKα","","0.0496","0.0443","","","0.1109","0.1151","","","","","","1.038","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078224","14.2819","0.0003","9.155","0.0002","28.3217","0.0005","90","","99.992","0.001","90","","3646.92","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H110 O6 P4 Ru2 -","- C78 H110 O6 P4 Ru2 -","- C156 H220 O12 P8 Ru4 -","2","1","","Vaquero, Mónica; Vargas, Sergio; Suárez, Andrés; Garc\?ía-Garrido, Sergio E.; Álvarez, Eleuterio; Mancera, Manuel; Pizzano, Antonio","Synthesis, Characterization, and Reactivity of Ruthenium Bis-Allyl Complexes with Chiral Phosphine-Phosphite Ligands","Organometallics","2012","31","9","3551","","10.1021/om300018s","","","0.71073","MoKα","","0.0278","0.0265","","","0.0636","0.0642","","","","","","1.09","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078242","11.6533","0.0001","19.0689","0.0001","15.6811","0.0001","90","","104.075","0.001","90","","3379.97","0.04","120","2","120","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C25 H37 Cl3 F6 Ir N4 O5 P -","- C25 H37 Cl3 F6 Ir N4 O5 P -","- C100 H148 Cl12 F24 Ir4 N16 O20 P4 -","4","2","","Paredes, Paloma; Vega, Esmeralda; Díez, Josefina; Gamasa, M. Pilar","Multiple Carbon‒Carbon and Carbon‒Metal Bond Formation from an Iridium-pybox Complex and Electron-Poor Terminal Alkynes: Synthesis of Iridium Complexes with a Novel κ4N,N,N,C Tetradentate Ligand","Organometallics","2012","31","9","3798","","10.1021/om3001108","","","1.54184","CuKα","","0.0284","0.0259","","","0.0642","0.07","","","","","","1.079","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078248","9.9086","0.0011","9.2532","0.001","22.278","0.002","90","","95.895","0.002","90","","2031.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Ir(TTP)(CO)NCS (Compound #6)","","","- C50 H36 Ir N5 O S -","- C50 H36 Ir N5 O S -","- C100 H72 Ir2 N10 O2 S2 -","2","1","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0829","0.0773","","","0.164","0.1686","","","","","","1.133","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078278","9.7876","0.0005","16.6534","0.0006","11.7754","0.0006","90","","108.631","0.004","90","","1818.77","0.15","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H42 B K N8 O8 Pt -","- C28 H42 B K N8 O8 Pt -","- C56 H84 B2 K2 N16 O16 Pt2 -","2","1","","Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk","Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands","Organometallics","2012","31","9","3700","","10.1021/om3001907","","","0.71073","MoKα","","0.0316","0.0279","","","0.0677","0.0687","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078293","8.8418","0.0002","10.4886","0.0003","16.5551","0.0004","90","","94.877","0.001","90","","1529.73","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H40 Fe2 P2 -","- C36 H40 Fe2 P2 -","- C72 H80 Fe4 P4 -","2","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0496","0.0365","","","0.0833","0.0931","","","","","","0.988","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078296","11.9744","0.0004","8.9423","0.0003","18.3431","0.0005","90","","96.613","0.003","90","","1951.09","0.11","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36.5 H40.5 Au2 Cl3.5 Fe2 P2 -","- C36.5 H40.5 Au2 Cl3.5 Fe2 P2 -","- C73 H81 Au4 Cl7 Fe4 P4 -","2","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0699","0.0434","","","0.1015","0.1101","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078358","10.084","0.002","11.182","0.002","14.364","0.003","90","","92.2","0.02","90","","1618.5","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Fe N O3 -","- C17 H21 Fe N O3 -","- C68 H84 Fe4 N4 O12 -","4","2","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.1982","0.0591","","0.1552","0.113","","","","0.988","1.12","1.12","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078392","8.632","0.002","15.857","0.004","10.622","0.003","90","","96.38","0.02","90","","1444.9","0.6","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H56 B F4 O P Ru S2 -","- C28 H36 B F4 O P Ru S2 -","- C56 H72 B2 F8 O2 P2 Ru2 S4 -","2","1","","Lindner, Ekkehard; Pautz, Stefan; Fawzi, Riad; Steimann, Manfred","Behavior of (Ether−phosphine)ruthenium(II) Complexes [(η6-C6Me6)RuH(P⌒O)][BF4] Containing Reactive Ru−O and Ru−H Bonds toward Various Small Molecules and Their Application in Ring-Opening Metathesis Polymerization","Organometallics","1998","17","14","3006","","10.1021/om980001o","","","0.71073","MoKα","","0.0206","0.0201","","0.0559","0.0552","","","","0.939","0.939","0.939","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078410","10.1315","0.0005","10.2865","0.0005","11.0789","0.0005","90","","102.196","0.001","90","","1128.56","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H31 N3 O Si2 Zn -","- C20 H31 N3 O Si2 Zn -","- C40 H62 N6 O2 Si4 Zn2 -","2","1","","Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.","Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts","Organometallics","2012","31","11","4133","","10.1021/om200865w","","","0.71073","MoKα","","0.022","0.0208","","","0.0468","0.0471","","","","","","1.016","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078442","13.445","0.0004","11.3616","0.0003","13.8849","0.0004","90","","104.865","0.002","90","","2050.03","0.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","RRR17-1593 (R~Ox~,R~Fc~)-17","Dichloro[(4~R~,1'R,R~Fc~)-2-[4,5-dihydro-4-(1-methylethyl)oxazol-2-yl-κN) -1-[1'-(diphenylphosphino)-ethyl-κP]-ferrocene]triphenylphosphine ruthenium","","- C48 H47 Cl2 Fe N O P2 Ru -","- C48 H47 Cl2 Fe N O P2 Ru -","- C96 H94 Cl4 Fe2 N2 O2 P4 Ru2 -","2","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0338","0.028","","","0.064","0.0672","","","","","","1.038","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078571","10.534","0.006","9.49","0.006","13.066","0.008","90","","95.457","0.01","90","","1300.3","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 B Cl2 N2 -","- C27 H37 B Cl2 N2 -","- C54 H74 B2 Cl4 N4 -","2","1","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.0537","0.0394","","","0.0776","0.0802","","","","","","0.83","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078576","13.1907","0.0007","12.8417","0.0007","14.1613","0.0008","90","","99.119","0.001","90","","2368.5","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C84 H98 Cl4 F24 Ir2 O2 P4 Sb4 -","2","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Catalytic Diels‒Alder Reactions with Enones As Dienophiles","Organometallics","2012","31","12","4551","","10.1021/om300346s","","","0.71073","MoKα","","0.0233","0.023","","","0.0592","0.0594","","","","","","1.037","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078577","13.132","0.004","13.166","0.004","14.039","0.005","90","","96.429","0.005","90","","2412","1.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H51 Cl2 F12 Ir O P2 Sb2 -","- C43 H51 Cl2 F12 Ir O P2 Sb2 -","- C86 H102 Cl4 F24 Ir2 O2 P4 Sb4 -","2","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Catalytic Diels‒Alder Reactions with Enones As Dienophiles","Organometallics","2012","31","12","4551","","10.1021/om300346s","","","0.71073","MoKα","","0.1221","0.0733","","","0.1537","0.1758","","","","","","1.049","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078637","14.2182","0.0011","17.058","0.0013","15.6882","0.0012","90","","104.462","0.002","90","","3684.4","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H34 F6 N O P3 Pd S -","- C39 H34 F6 N O P3 Pd S -","- C156 H136 F24 N4 O4 P12 Pd4 S4 -","4","2","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0","0.0372","","","0.079","0.0831","","","","","","1.031","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078767","11.0288","0.0005","16.9223","0.0007","18.77","0.0007","90","","105.523","0.002","90","","3375.3","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H41 Cl N O1.5 P Pd -","- C39 H41 Cl N O1.5 P Pd -","- C156 H164 Cl4 N4 O6 P4 Pd4 -","4","2","","Huang, Yinhua; Pullarkat, Sumod A.; Teong, Siewping; Chew, Renta Jonathan; Li, Yongxin; Leung, Pak-Hing","Palladacycle-Catalyzed Asymmetric Intermolecular Construction of Chiral Tertiary P-Heterocycles by Stepwise Addition of H‒P‒H Bonds to Bis(enones)","Organometallics","2012","31","13","4871","","10.1021/om300405h","","","0.71073","MoKα","","0.1183","0.0623","","","0.1389","0.1763","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078791","6.1229","0.0002","16.9983","0.0011","10.3946","0.0006","90","","98.354","0.003","90","","1070.38","0.1","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","ItBuAuNtf2","","","- C13 H20 Au F6 N3 O4 S2 -","- C13 H20 Au F6 N3 O4 S2 -","- C26 H40 Au2 F12 N6 O8 S4 -","2","1","","Jacques, Béatrice; Kirsch, Jonathan; de Frémont, Pierre; Braunstein, Pierre","NHC Gold(III) Triflimidate Complexes","Organometallics","2012","31","13","4654","","10.1021/om3004256","","x-ray","0.71073","MoKα","","0.0502","0.0401","","","0.0885","0.0928","","","","","","1.007","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078807","11.0541","0.0004","18.6809","0.0007","15.6814","0.0007","90","","94.683","0.0014","90","","3227.4","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Br2 Ir O2 Ta -","- C32 H40 Br2 Ir O2 Ta -","- C128 H160 Br8 Ir4 O8 Ta4 -","4","2","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0407","0.0359","","","0.0698","0.0727","","","","","","0.938","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078824","6.9005","0.0014","6.3367","0.0013","20.75","0.004","90","","99.38","0.03","90","","895.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 N2 O7 Si -","- C12 H28 N2 O7 Si -","- C24 H56 N4 O14 Si2 -","2","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0572","0.0419","","","0.1019","0.1132","","","","","","0.972","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078826","13.1285","0.001","6.5496","0.0005","13.9228","0.001","90","","101.227","0.003","90","","1174.26","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H36 N2 O6 Si -","- C17 H36 N2 O6 Si -","- C34 H72 N4 O12 Si2 -","2","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0303","0.0285","","","0.0753","0.0768","","","","","","1.036","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078828","9.1765","0.0018","10.3293","0.0016","15.134","0.003","90","","97.75","0.02","90","","1421.4","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H20 Cl N O2 Si -","- C8 H20 Cl N O2 Si -","- C32 H80 Cl4 N4 O8 Si4 -","4","2","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0686","0.0446","","","0.1016","0.1088","","","","","","0.906","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078829","5.9861","0.0006","11.3755","0.0013","19.498","0.002","90","","96.921","0.005","90","","1318","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H40 N2 O7 Si -","- C21 H40 N2 O7.225 Si -","- C42 H80 N4 O14.45 Si2 -","2","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0375","0.0336","","","0.0843","0.0864","","","","","","1.027","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078831","11.8973","0.0011","11.2852","0.0017","21.447","0.002","90","","100.233","0.012","90","","2833.7","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H38 N2 O7 Si -","- C24 H38 N2 O7 Si -","- C96 H152 N8 O28 Si4 -","4","2","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0891","0.0404","","","0.0892","0.106","","","","","","0.876","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078851","12.0924","0.0004","17.7704","0.0005","15.3413","0.0005","90","","106.018","0.0007","90","","3168.66","0.17","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H43 F5 N O P2 Si V -","- C26 H43 F5 N O P2 Si V -","- C104 H172 F20 N4 O4 P8 Si4 V4 -","4","2","","Nomura, Kotohiro; Suzuki, Ken; Katao, Shohei; Matsumoto, Yuichi","Ring-Opening Polymerization of THF by Aryloxo-Modified (Imido)vanadium(V)-alkyl Complexes and Ring-Opening Metathesis Polymerization by Highly Active V(CHSiMe3)(NAd)(OC6F5)(PMe3)2","Organometallics","2012","31","14","5114","","10.1021/om300463f","","","0.71075","MoKα","","","0.0517","","","","0.1361","","","","","","1.064","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078942","13.274","0.0005","16.7105","0.0004","14.4848","0.0005","90","","108.107","0.004","90","","3053.84","0.19","199.95","0.1","199.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H30 I3 Ir N7 Pd -","- C23 H30 I3 Ir N7 Pd -","- C92 H120 I12 Ir4 N28 Pd4 -","4","2","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","Y-Shaped Tris-N-Heterocyclic-Carbene Ligand for the Preparation of Multifunctional Catalysts of Iridium, Rhodium, and Palladium","Organometallics","2012","31","15","5606","","10.1021/om300569w","","","0.7107","MoKα","","0.063","0.043","","","0.0525","0.0582","","","","","","1.026","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078948","11.7666","0.001","16.057","0.0013","12.2524","0.001","90","","90.028","0.001","90","","2314.9","0.3","99","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 Li2 N4 -","- C26 H38 Li2 N4 -","- C104 H152 Li8 N16 -","4","2","","Tatić, Tanja; Hermann, Stefanie; Stalke, Dietmar","The [(DABCO)7·(LiCH2SiMe3)8] Octamer: More Aggregated than the Parent Starting Material [LiCH2SiMe3]6but Also Higher in Reactivity","Organometallics","2012","31","15","5615","","10.1021/om3005806","","","0.71073","MoKα","","0.0379","0.0367","","","0.0993","0.1006","","","","","","1.126","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078954","10.9155","0.0007","9.966","0.0007","11.6419","0.0008","90","","115.278","0.002","90","","1145.18","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H10 B F15 -","- C24 H10 B F15 -","- C48 H20 B2 F30 -","2","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0356","0.0294","","","0.0655","0.0688","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078968","8.88","0.0018","24.12","0.005","13.24","0.003","90","","96.9","0.03","90","","2815.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H25 B F4 N4 O6.5 Re -","- C25 H24 B F4 N4 O6.5 Re -","- C100 H96 B4 F16 N16 O26 Re4 -","4","2","","Fernández-Moreira, Vanesa; Ortego, M. Lourdes; Williams, Catrin F.; Coogan, Michael P.; Villacampa, M. Dolores; Gimeno, M. Concepción","Bioconjugated Rhenium(I) Complexes with Amino Acid Derivatives: Synthesis, Photophysical Properties, and Cell Imaging Studies","Organometallics","2012","31","16","5950","","10.1021/om300610j","","","0.71073","MoKα","","0.0683","0.0516","","","0.0953","0.1011","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079067","9.2195","0.0003","8.7469","0.0003","9.9413","0.0004","90","","92.336","0.001","90","","801.02","0.05","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Br Fe O3 -","- C16 H19 Br Fe O3 -","- C32 H38 Br2 Fe2 O6 -","2","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.044","0.0421","","","0.1127","0.1156","","","","","","1.022","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079072","7.4546","0.0003","15.3671","0.0006","10.8018","0.0004","90","","92.031","0.002","90","","1236.63","0.08","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 Fe N O Si2 -","- C23 H37 Fe N O Si2 -","- C46 H74 Fe2 N2 O2 Si4 -","2","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0663","0.0643","","","0.1658","0.1688","","","","","","1.074","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4079075","13.0779","0.0002","12.7776","0.0002","23.7983","0.0004","90","","97.604","0.001","90","","3941.82","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H54 Fe O4 Si3 -","- C38 H54 Fe O4 Si3 -","- C152 H216 Fe4 O16 Si12 -","4","2","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0769","0.064","","","0.1404","0.1534","","","","","","1.064","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079092","12.046","0.002","10.253","0.002","44.85","0.007","90","","96.653","0.003","90","","5502","1.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","02132","","","- C36 H84 K2 Mn Si8 -","- C36 H84 K2 Mn Si8 -","- C144 H336 K8 Mn4 Si32 -","4","2","","Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G.","σ- vs π-Bonding in Manganese(II) Allyl Complexes","Organometallics","2012","31","17","6131","","10.1021/om300478v","","","0.71073","MoKα","","0.0713","0.0641","","","0.1546","0.1595","","","","","","1.004","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079097","11.73863","0.0001","11.70932","0.00011","58.7106","0.0005","90","","92.4392","0.0009","90","","8062.54","0.12","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64.67 H58 N5.33 Ni O2 P2 -","- C64.6667 H58 N5.33333 Ni O2 P2 -","- C388 H348 N32 Ni6 O12 P12 -","6","3","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.0626","0.0593","","","0.1186","0.1199","","","","","","1.198","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079146","15.235","0.006","8.948","0.004","19.304","0.008","90","","101.053","0.005","90","","2582.8","1.9","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H54 Cl4 N8 Pd2 -","- C46 H54 Cl4 N8 Pd2 -","- C92 H108 Cl8 N16 Pd4 -","2","1","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Palladium 1,2,3-Triazol-5-ylidene Mesoionic Carbene PEPPSI Complexes and Their Catalytic Applications in the Mizoroki‒Heck Reaction","Organometallics","2012","31","17","6215","","10.1021/om3005228","","","0.71073","MoKα","","0.1509","0.0663","","","0.134","0.1603","","","","","","0.859","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079379","7.3636","0.0012","12.677","0.002","10.2645","0.0017","90","","96.802","0.002","90","","951.4","0.3","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H31 Cl P2 Pt -","- C15 H31 Cl P2 Pt -","- C30 H62 Cl2 P4 Pt2 -","2","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0219","0.0214","","","0.05","0.0503","","","","","","0.963","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079384","7.2371","0.0012","12.4943","0.0019","10.087","0.0015","90","","97.173","0.009","90","","905","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H28 Cl2 O0 P2 Pt -","- C14 H28 Cl2 P2 Pt -","- C28 H56 Cl4 P4 Pt2 -","2","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","1.54178","CuKα","","0.0695","0.0644","","","0.1646","0.1693","","","","","","1.001","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079407","12.4832","0.0019","19.696","0.003","20.977","0.004","90","","96.841","0.003","90","","5120.9","1.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H61 Cl2 N2 P Ru -","- C60 H61 Cl2 N2 P Ru -","- C240 H244 Cl8 N8 P4 Ru4 -","4","2","","Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr","Organometallics","2012","31","18","6514","","10.1021/om300719t","","","0.71075","MoKα","","","0.0768","","","","0.1813","","","","","","1.122","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079419","9.9385","0.0003","19.6894","0.0005","10.2648","0.0003","90","","98.824","0.003","90","","1984.87","0.1","180","2","180","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H45 Cl4 Fe N O2 P Rh S -","- C41 H45 Cl4 Fe N O2 P Rh S -","- C82 H90 Cl8 Fe2 N2 O4 P2 Rh2 S2 -","2","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0341","0.0311","","","0.071","0.0731","","","","","","1.026","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079421","9.9185","0.0002","19.7296","0.0004","10.2736","0.0002","90","","98.624","0.002","90","","1987.69","0.07","180","2","180","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H45 Cl4 Fe Ir N O2 P S -","- C41 H45 Cl4 Fe Ir N O2 P S -","- C82 H90 Cl8 Fe2 Ir2 N2 O4 P2 S2 -","2","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0285","0.0261","","","0.0517","0.0528","","","","","","1.042","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079442","8.866","0.002","14.856","0.003","8.982","0.002","90","","96.725","0.004","90","","1174.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Cr I N -","- C28 H27 Cr I N -","- C56 H54 Cr2 I2 N2 -","2","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0599","0.0447","","","0.1","0.1074","","","","","","1.019","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079538","10.737","0.0008","13.1719","0.0009","14.168","0.001","90","","102.222","0.002","90","","1958.3","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl Co N4 -","- C42 H48 Cl Co N4 -","- C84 H96 Cl2 Co2 N8 -","2","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.113","0.0498","","","0.0961","0.1249","","","","","","1.074","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079557","10.2238","0.001","9.6635","0.0009","11.2356","0.0011","90","","101.295","0.001","90","","1088.55","0.18","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 Zr -","- C28 H28 Zr -","- C56 H56 Zr2 -","2","1","","Rong, Yi; Al-Harbi, Ahmed; Parkin, Gerard","Highly Variable Zr‒CH2‒Ph Bond Angles in Tetrabenzylzirconium: Analysis of Benzyl Ligand Coordination Modes","Organometallics","2012","31","23","8208","","10.1021/om300820b","","","0.71073","MoKα","","0.056","0.0377","","","0.0646","0.0705","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079600","8.298","0.003","19.97","0.006","8.468","0.002","90","","105.993","0.016","90","","1348.9","0.7","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","- C48 H92 Cl4 P4 Pd2 -","2","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0759","0.0658","","","0.1758","0.1914","","","","","","0.976","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079606","10.0862","0.0002","17.4581","0.0004","11.1872","0.0003","90","","111.728","0.001","90","","1829.95","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H58 N6 O2 Si2 -","- C34 H58 N6 O2 Si2 -","- C68 H116 N12 O4 Si4 -","2","1","","Azhakar, Ramachandran; Pröpper, Kevin; Dittrich, Birger; Roesky, Herbert W.","Reactivity Studies of Heteroleptic Silylenes with N2O","Organometallics","2012","31","21","7586","","10.1021/om3008794","","","1.54178","CuKα","","0.0307","0.0306","","","0.0843","0.0844","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079613","11.1834","0.0002","9.7428","0.0001","14.183","0.0003","90","","93.891","0.001","90","","1541.78","0.05","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H50 Li2 Mg N4 -","- C28 H50 Li2 Mg N4 -","- C56 H100 Li4 Mg2 N8 -","2","1","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.0379","0.0358","","","0.0828","0.0849","","","","","","1.089","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079625","8.2207","0.0012","15.516","0.002","9.7572","0.0014","90","","111.486","0.001","90","","1158.1","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H35 Au F6 O P Sb -","- C16 H35 Au F6 O P Sb -","- C32 H70 Au2 F12 O2 P2 Sb2 -","2","1","","Zhu, Yuyang; Day, Cynthia S.; Jones, Amanda C.","Synthesis and Structure of Cationic Phosphine Gold(I) Enol Ether Complexes","Organometallics","2012","31","21","7332","","10.1021/om300893q","","","0.71073","MoKα","","0.0322","0.0299","","","0.0757","0.0777","","","","","","1.051","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079628","9.2083","0.0005","6.8855","0.0004","13.8057","0.0007","90","","92.474","0.003","90","","874.52","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of Vinyl Cyclopropanes and β,γ-Unsaturated α-Keto Esters: An Effective Route to Highly Functionalized Cyclopentanes","Organometallics","2012","31","21","7591","","10.1021/om300896z","","","1.54178","CuKα","","0.034","0.0332","","","0.0931","0.0944","","","","","","1.027","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079674","13.1828","0.0007","7.6142","0.0004","13.2748","0.0007","90","","107.163","0.002","90","","1273.14","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 Br N -","- C13 H18 Br N -","- C52 H72 Br4 N4 -","4","2","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0209","0.0201","","","0.049","0.0493","","","","","","1.071","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079706","13.1277","0.0002","13.6566","0.0003","15.6227","0.0003","90","","106.332","0.001","90","","2687.82","0.09","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30.25 H29.5 Cl1.5 N P Pt -","- C30.252 H29.504 Cl1.504 N P Pt -","- C121.008 H118.016 Cl6.016 N4 P4 Pt4 -","4","2","","Tan, Kien-Wee; Yang, Xiang-Yuan; Li, Yongxin; Huang, Yinhua; Pullarkat, Sumod A.; Leung, Pak-Hing","Reactivity of Cycloplatinated Amine Complexes: Intramolecular C‒C Bond Formation, C‒H Activation, and PPh2Migration in Coordinated Alkynylphosphines","Organometallics","2012","31","23","8407","","10.1021/om300976y","","","0.71073","MoKα","","0.0327","0.0257","","","0.0651","0.0909","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079797","8.4719","0.0003","17.0771","0.0005","14.8339","0.0005","90","","103.558","0.002","90","","2086.3","0.12","100","","99.65","","","","","","","","","5","P 1 21 1","P 2yb","4","","UMCB0009_AH_I_201","","- C44 H54 I2 N4 Rh2 -","- C44 H54 I2 N4 Rh2 -","- C88 H108 I4 N8 Rh4 -","2","1","","Huckaba, Aron J.; Hollis, T. Keith; Howell, Tyler O.; Valle, Henry U.; Wu, Yunshan","Synthesis and Characterization of a 1,3-Phenylene-Bridged N-Alkyl Bis(benzimidazole) CCC-NHC Pincer Ligand Precursor: Homobimetallic Silver and Rhodium Complexes and the Catalytic Hydrosilylation of Phenylacetylene","Organometallics","2013","32","1","63","","10.1021/om3008037","","","1.54178","CuKα","","0.03473","0.03224","","","","0.081171","","","","","","1.01149","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079827","14.72965","0.00019","20.6819","0.0002","18.2822","0.0002","90","","101.101","0.0012","90","","5465.22","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H122 O35.5 P4 Rh2 -","- C116 H122 O35.5 P4 Rh2 -","- C232 H244 O71 P8 Rh4 -","2","1","","Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme","Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes","Organometallics","2013","32","2","473","","10.1021/om300935u","","","1.54184","CuKα","","0.0441","0.043","","","0.1157","0.1182","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079839","11.498","0.001","16.165","0.001","15.384","0.001","90","","105.124","0.001","90","","2760.3","0.3","396","2","396","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H64 B2 Li2 O2 P4 S2 -","- C58 H64 B2 Li2 O2 P4 S2 -","- C116 H128 B4 Li4 O4 P8 S4 -","2","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.0489","0.0447","","","0.0984","0.1024","","","","","","1.063","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079871","8.434","0.008","11.737","0.011","12.804","0.012","90","","103.4","0.014","90","","1233","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H4 Ag9 N7 O21 -","- C6 H4 Ag9 N7 O21 -","- C12 H8 Ag18 N14 O42 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.0745","0.0671","","","0.1654","0.1753","","","","","","1.007","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079954","15.8536","0.0001","11.124","0.0001","16.0637","0.0002","90","","108.225","0.0005","90","","2690.81","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 Cl4 N Ni P2 -","- C20 H37 Cl4 N Ni P2 -","- C80 H148 Cl16 N4 Ni4 P8 -","4","2","","Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2","Organometallics","2013","32","1","300","","10.1021/om3010838","","","0.71073","MoKα","","0.0577","0.0478","","","0.1036","0.108","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079971","11.7238","0.0015","9.7832","0.0007","13.0606","0.0016","90","","111.39","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl N3 O Ru -","- C33 H32 Cl N3 O Ru -","- C66 H64 Cl2 N6 O2 Ru2 -","2","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.","Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands","Organometallics","2013","32","1","309","","10.1021/om301115e","","","0.71073","MoKα","","0.0413","0.0371","","","0.0827","0.0846","","","","","","1.183","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079988","14.8971","0.0004","10.5691","0.0003","15.6025","0.0005","90","","99.324","0.001","90","","2424.14","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H50 Cl6 Fe2 P2 Pd -","- C52 H50 Cl6 Fe2 P2 Pd -","- C104 H100 Cl12 Fe4 P4 Pd2 -","2","1","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.0193","0.018","","","0.0396","0.0401","","","","","","1.03","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080018","8.7907","0.0002","11.5333","0.0002","11.5809","0.0002","90","","111.23","0.002","90","","1094.45","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 Fe -","- C26 H38 Fe -","- C52 H76 Fe2 -","2","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","1.54184","CuKα","","0.0248","0.0243","","","0.0615","0.0619","","","","","","1.055","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080021","8.3693","0.0002","24.3239","0.0002","9.5464","0.0002","90","","115.328","0.002","90","","1756.59","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H31 Ir -","- C21 H31 Ir -","- C84 H124 Ir4 -","4","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.013","0.0128","","","0.0305","0.0305","","","","","","1.158","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080052","11.08162","0.00014","15.8271","0.0002","17.4213","0.0002","90","","106.928","0.0013","90","","2923.13","0.07","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H73 N9 Zr -","- C51 H57 N9 Zr -","- C102 H114 N18 Zr2 -","2","1","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","1.5418","CuKα","","0.0414","0.0394","","","0.1027","0.1041","","","","","","1.049","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080088","9.3995","0.0003","15.5949","0.0004","17.1152","0.0005","90","","93.389","0.002","90","","2504.43","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1585 ww magr1f-D2 (R,SFc,RFc)-17","(S~Fc~)-2-{(R)-1-Bis[3,5-bis(trifluoromethyl)phenyl]phosphinoethyl}- (R~Fc~)-2''-bis(3,5-dimethyl-4-methoxyphenyl)-phosphino-1,1''- biferrocene","","- C56 H48 F12 Fe2 O2 P2 -","- C56 H48 F12 Fe2 O2 P2 -","- C112 H96 F24 Fe4 O4 P4 -","2","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0326","0.0265","","","0.0597","0.0623","","","","","","1.022","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080105","8.5601","0.0008","7.4175","0.0007","14.2238","0.0016","90","","103.859","0.01","90","","876.84","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 I N3 Pd -","- C17 H20 I N3 Pd -","- C34 H40 I2 N6 Pd2 -","2","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.71073","MoKα","","0.0581","0.043","","","0.0771","0.0894","","","","","","1.028","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080124","17.9574","0.0008","18.1055","0.0005","28.2892","0.001","90","","92.465","0.003","90","","9189.1","0.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H58 N3 P2 S Si5 Y -","- C36 H58 N3 P2 S Si5 Y -","- C288 H464 N24 P16 S8 Si40 Y8 -","8","4","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.1297","0.0548","","","0.0717","0.0865","","","","","","0.803","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080126","17.9443","0.0006","18.0724","0.0003","28.227","0.001","90","","92.458","0.003","90","","9145.5","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H58 Er N3 P2 S Si5 -","- C36 H58 Er N3 P2 S Si5 -","- C288 H464 Er8 N24 P16 S8 Si40 -","8","4","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.0383","0.0293","","","0.0571","0.0583","","","","","","0.82","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080189","11.5726","0.001","21.379","0.002","28.376","0.003","90","","90.026","0.006","90","","7020.5","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H118 N6 O S Si12 U2 -","- C40 H118 N6 O S Si12 U2 -","- C160 H472 N24 O4 S4 Si48 U8 -","4","2","","Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.","Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)","Organometallics","2013","32","5","1193","","10.1021/om301004q","","","0.71073","MoKα","","0.0939","0.0907","","","0.2119","0.2133","","","","","","1.214","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080191","11.6","0.006","21.067","0.011","28.14","0.014","90","","90.827","0.005","90","","6876","6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H115 N6 Se Si12 U2 -","- C43 H114.5 N6 Se Si12 U2 -","- C172 H458 N24 Se4 Si48 U8 -","4","2","","Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.","Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)","Organometallics","2013","32","5","1193","","10.1021/om301004q","","","0.71073","MoKα","","0.0637","0.0509","","","0.1232","0.1282","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080330","10.3802","0.0006","16.5419","0.0009","14.3722","0.0008","90","","98.551","0.001","90","","2440.4","0.2","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C54 H45 Cl F6 Ir N O P3 Sb -","- C54 H45 Cl F6 Ir N O P3 Sb -","- C108 H90 Cl2 F12 Ir2 N2 O2 P6 Sb2 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0244","0.0232","","","0.0515","0.0519","","","","","","1.021","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080332","10.3697","0.0011","16.4257","0.0017","14.5792","0.0015","90","","98.467","0.002","90","","2456.2","0.4","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C55 H49 Cl F6 Ir N O P3 Sb -","- C55 H49 Cl F6 Ir N O P3 Sb -","- C110 H98 Cl2 F12 Ir2 N2 O2 P6 Sb2 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0286","0.027","","","0.0555","0.0561","","","","","","1.021","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080337","11.6736","0.0008","23.6185","0.0017","11.8942","0.0008","90","","94.527","0.001","90","","3269.2","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C62 H71 F12 Ir N O5 P3 Sb2 -","- C62 H57 F12 Ir N O5 P3 Sb2 -","- C124 H114 F24 Ir2 N2 O10 P6 Sb4 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71073","MoKα","","0.0779","0.0605","","","0.1093","0.117","","","","","","1.046","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080338","13.102","0.005","16.399","0.005","14.495","0.005","90","0.005","109.079","0.005","90","0.005","2943.3","1.8","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C59 H59 Cl2 F12 Ir N O3 P3 Sb2 -","- C59 H45 Cl2 F12 Ir N O3 P3 Sb2 -","- C118 H90 Cl4 F24 Ir2 N2 O6 P6 Sb4 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71069","MoKα","","0.0666","0.0592","","","0.119","0.1221","","","","","","1.117","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080354","8.8271","0.0002","34.611","0.0009","11.2302","0.0003","90","","98.165","0.001","90","","3396.21","0.15","200","1","200","1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C31 H28 Au Cl F9 O3 P Ru S -","- C31 H28 Au Cl F9 O3 P Ru S -","- C124 H112 Au4 Cl4 F36 O12 P4 Ru4 S4 -","4","2","","Dubarle-Offner, Julien; Barbazanges, Marion; Augé Mylène; Desmarets, Christophe; Moussa, Jamal; Axet, M. Rosa; Ollivier, Cyril; Aubert, Corinne; Fensterbank, Louis; Gandon, Vincent; Malacria, Max; Gontard, Geoffrey; Amouri, Hani","Gold Compounds Anchored to a Metalated Arene Scaffold: Synthesis, X-ray Molecular Structures, and Cycloisomerization of Enyne","Organometallics","2013","32","6","1665","","10.1021/om301101z","","","1.54178","CuKα","","0.0267","0.026","","","0.067","0.0675","","","","","","1.038","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080361","10.652","0.001","26.078","0.001","11.444","0.001","90","","107.043","0.001","90","","3039.3","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H87 N2 O4 P2 Y -","- C66 H87 N2 O4 P2 Y -","- C132 H174 N4 O8 P4 Y2 -","2","1","","Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.","Yttrium Phosphasalen Initiators forrac-Lactide Polymerization","Organometallics","2013","32","5","1475","","10.1021/om301129k","","","0.71069","MoKα","","0.0791","0.0603","","","0.119","0.1327","","","","","","1.111","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080385","10.0428","0.0006","28.804","0.002","10.7253","0.0009","90","","115.727","0.004","90","","2795","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N O Si -","- C32 H35 N O Si -","- C128 H140 N4 O4 Si4 -","4","2","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0688","0.0522","","","0.1231","0.1356","","","","","","1.02","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080421","7.584","0.004","6.423","0.009","16.502","0.011","90","","94.56","0.06","90","","801.3","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 B O P -","- C14 H26 B O P -","- C28 H52 B2 O2 P2 -","2","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.074","0.0453","","","0.1131","0.1241","","","","","","1.044","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080424","6.7165","0.0005","34.852","0.003","12.2032","0.001","90","","91.191","0.004","90","","2856","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 P Ru Si -","- C27 H43 Cl2 P Ru Si -","- C108 H172 Cl8 P4 Ru4 Si4 -","4","2","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0743","0.0516","","","0.106","0.1183","","","","","","1.005","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080425","8.897","0.003","17.008","0.004","13.237","0.003","90","","90.32","0.02","90","","2003","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H31 Cl2 P Ru -","- C18 H31 Cl2 P Ru -","- C72 H124 Cl8 P4 Ru4 -","4","2","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0453","0.0419","","","0.1289","0.1433","","","","","","1.113","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080453","10.7276","0.0002","8.5789","0.0002","16.3989","0.0004","90","","107.04","0.001","90","","1442.95","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H43 N5 Ti -","- C29 H43 N5 Ti -","- C58 H86 N10 Ti2 -","2","1","","Chong, Eugene; Qayyum, Sadaf; Schafer, Laurel L.; Kempe, Rhett","2-Aminopyridinate Titanium Complexes for the Catalytic Hydroamination of Primary Aminoalkenes","Organometallics","2013","32","6","1858","","10.1021/om3012695","","","0.71073","MoKα","","0.0556","0.0417","","","0.0829","0.0879","","","","","","1.004","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080477","9.4029","0.0002","15.6438","0.0004","20.8748","0.0005","90","","91.508","0.002","90","","3069.56","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C144 H144 N16 O8 -","8","4","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","0.71073","MoKα","","0.0669","0.0459","","","0.0813","0.0903","","","","","","1.033","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080498","10.3972","0.0006","16.1594","0.0007","11.5132","0.0008","90","","111.275","0.008","90","","1802.5","0.2","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 F12 Fe4 N3 P2 -","- C34 H38 F12 Fe4 N3 P2 -","- C68 H76 F24 Fe8 N6 P4 -","2","1","","Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki","Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster","Organometallics","2013","32","6","1951","","10.1021/om400035q","","x-ray","0.71075","MoKα","","0.0318","0.0297","","","0.0699","0.0712","","","","","","1.067","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080558","10.571","0.0005","15.312","0.0012","20.462","0.003","90","","102.694","0.006","90","","3231.1","0.6","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H27 Br4 Cl3 N2 O Sn -","- C21 H27 Br4 Cl3 N2 O Sn -","- C84 H108 Br16 Cl12 N8 O4 Sn4 -","4","2","","Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Stabilization of Three-Coordinated Germanium(II) and Tin(II) Cations by a Neutral Chelating Ligand","Organometallics","2013","32","6","1995","","10.1021/om400082t","","","0.71073","MoKα","","0.1233","0.0774","","","0.1738","0.2165","","","","","","1.158","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080559","8.1657","0.0003","21.52","0.0009","27.9068","0.001","90","","92.9124","0.001","90","","4897.6","0.3","198","","198","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76.75 H117.5 Cl21.5 Mo4 P4 Zr2 -","- C76.75 H116 Cl21.5 Mo4 P4 Zr2 -","- C153.5 H232 Cl43 Mo8 P8 Zr4 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.1283","","","","0.2088","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080560","8.1877","0.0003","21.5572","0.0006","27.9565","0.0007","90","","92.904","0.0008","90","","4928.1","0.3","198","","198","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38.25 H58.5 Cl10.5 Hf Mo2 P2 -","- C38.25 H58.5 Cl10.5 Hf Mo2 P2 -","- C153 H234 Cl42 Hf4 Mo8 P8 -","4","2","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.096","","","","0.1943","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080561","8.1693","0.0003","21.5637","0.0008","27.973","0.001","90","","93.021","0.0012","90","","4920.9","0.3","173.1","","173.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38.5 H59 Cl11 P2 W2 Zr -","- C38.5 H59 Cl11 P2 W2 Zr -","- C154 H236 Cl44 P8 W8 Zr4 -","4","2","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.056","","","","0.1403","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080586","12.285","0.0002","12.7036","0.0002","12.6985","0.0003","90","","102.181","0.0009","90","","1937.15","0.06","150","","150","","","","101","","","","SYN","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Li O2 Zr2 -","- C36 H52 Cl5 Li O2 Zr2 -","- C72 H104 Cl10 Li2 O4 Zr4 -","2","1","","Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot","Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes","Organometallics","2013","32","7","2228","","10.1021/om400103g","","","0.71073","MoKα","","0.0505","0.0405","","0.1022","0.0894","0.1022","","","","","","0.9233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080587","12.262","0.0001","12.6405","0.0002","12.6817","0.0002","90","","102.117","0.0005","90","","1921.85","0.05","150","","150","","","","101","","","","SYN","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Hf2 Li O2 -","- C36 H52 Cl5 Hf2 Li O2 -","- C72 H104 Cl10 Hf4 Li2 O4 -","2","1","","Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot","Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes","Organometallics","2013","32","7","2228","","10.1021/om400103g","","","0.71073","MoKα","","0.0251","0.025","","0.0624","0.0621","0.0624","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080616","8.4194","0.0006","11.4307","0.0008","13.5542","0.0009","90","","99.755","0.001","90","","1285.59","0.15","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H8 Ag Ir4 N O11 -","- C19 H8 Ag Ir4 N O11 -","- C38 H16 Ag2 Ir8 N2 O22 -","2","1","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang","Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding","Organometallics","2013","32","8","2416","","10.1021/om400133w","","","0.71073","MoKα","","0.0406","0.0396","","","0.1115","0.1125","","","","","","1.026","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080696","9.2687","0.0003","13.4006","0.0002","14.0694","0.0003","90","","90.141","0.001","90","","1747.5","0.07","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H59 Ca N5 -","- C33 H59 Ca N5 -","- C66 H118 Ca2 N10 -","2","1","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.0872","0.0831","","","0.1919","0.1947","","","","","","1.214","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080718","14.6958","0.0009","9.821","0.0007","18.2435","0.0014","90","","102.543","0.004","90","","2570.2","0.3","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H71 N O2 P2 Ru -","- C57 H71 N O2 P2 Ru -","- C114 H142 N2 O4 P4 Ru2 -","2","1","","Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki","Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands","Organometallics","2013","32","10","2918","","10.1021/om400126v","","","0.71075","MoKα","","0.2128","0.1126","","","0.1783","0.2276","","","","","","1.179","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080833","9.5379","0.0004","14.2348","0.0005","18.071","0.0008","90","","98.527","0.002","90","","2426.38","0.17","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H64 B Fe O4 P -","- C56 H64 B Fe O4 P -","- C112 H128 B2 Fe2 O8 P2 -","2","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.1054","0.0827","","","0.1705","0.1899","","","","","","1.11","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080915","9.957","0.004","24.184","0.005","10.577","0.005","90","","90.14","0.03","90","","2546.9","1.7","223.2","","223.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H38 B F24 N O Si3 -","- C42 H38 B F24 N O Si3 -","- C84 H76 B2 F48 N2 O2 Si6 -","2","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.71069","MoKα","","0.1155","0.068","","","0.1948","0.2143","","","","","","1.414","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081037","10.1219","0.0005","9.4374","0.0005","14.7051","0.0007","90","","101.337","0.001","90","","1377.29","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H34 B N2 O Rh -","- C31 H34 B N2 O Rh -","- C62 H68 B2 N4 O2 Rh2 -","2","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Monari, Magda; Mosconi, Edoardo; De Angelis, Filippo","Boron Functionalization and Unusual B‒C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp)","Organometallics","2013","32","14","3895","","10.1021/om400375j","","","0.71073","MoKα","","0.0338","0.0307","","","0.0809","0.0825","","","","","","1.022","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081044","5.6282","0.0006","18.1085","0.0018","9.0735","0.0009","90","","100.92","0.002","90","","908.01","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 Pt -","- C23 H20 N2 Pt -","- C46 H40 N4 Pt2 -","2","1","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0376","0.0324","","","0.0709","0.0732","","","","","","1.09","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081103","9.092","0.003","10.166","0.003","11.559","0.003","90","","106.914","0.005","90","","1022.2","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Co N2 O6 -","- C20 H25 Co N2 O6 -","- C40 H50 Co2 N4 O12 -","2","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0315","0.0299","","","0.0683","0.0689","","","","","","1.028","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081296","8.0211","0.0017","8.811","0.002","23.772","0.005","90","","97.876","0.011","90","","1664.2","0.6","158","2","158","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","2","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.2714","0.0839","","","0.0956","0.1415","","","","","","0.944","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081359","14.8881","0.0004","12.242","0.0004","20.6738","0.0006","90","","94.951","0.002","90","","3753.95","0.19","123","1","123","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C40 H42 F6 Fe O2 P4 -","- C40 H42 F6 Fe O2 P4 -","- C160 H168 F24 Fe4 O8 P16 -","4","2","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","1.54184","CuKα","","0.0527","0.0487","","","0.1276","0.1329","","","","","","1.014","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081360","11.36","0.004","18.091","0.005","11.767","0.003","90","","107.386","0.01","90","","2307.8","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C49 H52 F6 Fe O3 P4 -","- C49 H52 F6 Fe O3 P4 -","- C98 H104 F12 Fe2 O6 P8 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","0.71073","MoKα","","0.06","0.0476","","","0.0935","0.1063","","","","","","1.066","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081458","16.1359","0.0001","28.5079","0.0001","22.8886","0.0001","90","","95.071","0.001","90","","10487.6","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)][Hg(IPr-H)3]*THF*0.5hex","","- C106 H156 Hg K N8 O7 -","- C106 H156 Hg K N8 O7 -","- C424 H624 Hg4 K4 N32 O28 -","4","2","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.54178","CuKα","","0.0393","0.0383","","","0.1011","0.1021","","","","","","1.08","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081482","9.7753","0.0004","12.5265","0.0006","12.916","0.0007","90","","96.522","0.004","90","","1571.33","0.13","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","LiCl complex of compound3","","- C26 H43 Cl2 Fe Li O4 Si2 Sn -","- C26 H43 Cl2 Fe Li O4 Si2 Sn -","- C52 H86 Cl4 Fe2 Li2 O8 Si4 Sn2 -","2","1","","Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride","Organometallics","2013","32","20","5720","","10.1021/om400219r","","","0.71073","MoKα","","0.0364","0.0306","","","0.0509","0.0517","","","","","","0.937","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081498","6.0969","0.0003","7.449","0.0003","20.8484","0.0009","90","","96.632","0.002","90","","940.51","0.07","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 Fe N2 -","- C20 H32 Fe N2 -","- C40 H64 Fe2 N4 -","2","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0309","0.0288","","","0.0655","0.0674","","","","","","1.072","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081540","8.5983","0.0003","18.113","0.0006","22.3229","0.0008","90","","91.524","0.003","90","","3475.4","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(3aS,7aS)-[(SFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C38 H44 Fe N2 O1.5 P Sn -","- C38 H44 Fe N2 O1.5 P Sn -","- C152 H176 Fe4 N8 O6 P4 Sn4 -","4","2","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0377","0.0295","","","0.0623","0.065","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081541","11.4229","0.0006","8.4617","0.0004","15.34","0.0007","90","","91.483","0.004","90","","1482.22","0.12","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(3aR,7aR)-[(RFc)-(2-Monoiodidodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C30 H34 Fe I N2 O P Sn -","- C30 H34 Fe I N2 O P Sn -","- C60 H68 Fe2 I2 N4 O2 P2 Sn2 -","2","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0454","0.0334","","","0.0545","0.0558","","","","","","0.847","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081545","9.0709","0.0003","33.8535","0.0009","11.5733","0.0003","90","","109.561","0.003","90","","3348.83","0.18","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","(3aR,7aR)-[(RFc)-(2-Triflatodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C32 H35.5 F3 Fe N2.5 O4 P S Sn -","- C32 H35.5 F3 Fe N2.5 O4 P S Sn -","- C128 H142 F12 Fe4 N10 O16 P4 S4 Sn4 -","4","2","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0424","0.0377","","","0.0945","0.0964","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081678","9.5088","0.0003","11.7547","0.0003","13.9882","0.0004","90","","100.54","0.001","90","","1537.12","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H27 B F4 N2 O5 P Re -","- C31 H27 B F4 N2 O5 P Re -","- C62 H54 B2 F8 N4 O10 P2 Re2 -","2","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0371","0.029","","","0.0569","0.0597","","","","","","1.09","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081713","12.9314","0.0014","20.9807","0.0016","24.074","0.003","90","","104.552","0.005","90","","6322","1.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 Au N3 O2 -","- C33 H44 Au N3 O2 -","- C264 H352 Au8 N24 O16 -","8","4","","Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao","NHC‒Gold(I) Complexes as Effective Catalysts for the Carboxylative Cyclization of Propargylamines with Carbon Dioxide","Organometallics","2013","32","19","5285","","10.1021/om400949m","","","0.71075","MoKα","","","0.0398","","","","0.101","","","","","","1","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081728","9.6668","0.0002","13.8796","0.0003","12.328","0.0003","90","","108.162","0.001","90","","1571.66","0.06","153","2","153","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H36 Cl2 F3 N2 O3 P S -","- C28 H36 Cl2 F3 N2 O3 P S -","- C56 H72 Cl4 F6 N4 O6 P2 S2 -","2","1","","Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J.","Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC)","Organometallics","2013","32","22","6674","","10.1021/om4002268","","","1.54178","CuKα","","0.06","0.0543","","","0.1448","0.15","","","","","","1.081","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081781","8.4085","0.0007","10.5204","0.0008","8.9419","0.0008","90","","93.717","0.005","90","","789.34","0.11","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H12 Al B Cl6 N2 -","- C7 H12 Al B Cl6 N2 -","- C14 H24 Al2 B2 Cl12 N4 -","2","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0683","0.0562","","","0.1544","0.1719","","","","","","1.078","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081835","14.8399","0.0003","11.5128","0.0003","17.2596","0.0004","90","","107.565","0.001","90","","2811.3","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 F6 Ir N2 P -","- C28 H34 F6 Ir N2 P -","- C112 H136 F24 Ir4 N8 P4 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0455","0.0262","","","0.0526","0.0577","","","","","","0.995","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081836","14.8149","0.0014","11.5322","0.0013","17.1881","0.0013","90","","107.475","0.002","90","","2801","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 F6 N2 P Rh -","- C28 H34 F6 N2 P Rh -","- C112 H136 F24 N8 P4 Rh4 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.1161","0.0496","","","0.0802","0.0962","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081838","8.3296","0.0001","27.2674","0.0007","11.157","0.0003","90","","93.098","0.002","90","","2530.35","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl Ir N2 -","- C23 H30 Cl Ir N2 -","- C92 H120 Cl4 Ir4 N8 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0774","0.0613","","","0.1557","0.1668","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081839","8.528","0.0003","27.5929","0.0006","11.1085","0.0003","90","","94.405","0.001","90","","2606.24","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl4 N2 Rh -","- C24 H31 Cl4 N2 Rh -","- C96 H124 Cl16 N8 Rh4 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.1261","0.0974","","","0.2189","0.2459","","","","","","1.091","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081843","8.3296","0.0001","27.2674","0.0007","11.157","0.0003","90","","93.098","0.002","90","","2530.35","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl Ir N2 -","- C23 H30 Cl Ir N2 -","- C92 H120 Cl4 Ir4 N8 -","4","2","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.0774","0.0613","","","0.1557","0.1668","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081844","8.528","0.0003","27.5929","0.0006","11.1085","0.0003","90","","94.405","0.001","90","","2606.24","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl4 N2 Rh -","- C24 H31 Cl4 N2 Rh -","- C96 H124 Cl16 N8 Rh4 -","4","2","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.1261","0.0974","","","0.2189","0.2459","","","","","","1.091","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081847","12.2338","0.0002","33.7372","0.0006","16.2957","0.0003","90","","91.596","0.002","90","","6723.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H51 Al B11 Cl11 D12 O2 -","- C61 H51 Al B11 Cl11 D12 O2 -","- C244 H204 Al4 B44 Cl44 D48 O8 -","4","2","","Wehmschulte, Rudolf J.; Saleh, Mahmoud; Powell, Douglas R.","CO2Activation with Bulky Neutral and Cationic Phenoxyalanes","Organometallics","2013","32","22","6812","","10.1021/om400628z","","","0.71073","MoKα","","0.049","0.0454","","","0.1194","0.1233","","","","","","1.006","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4081896","14.3436","0.0004","9.8591","0.0004","16.9131","0.0005","90","","94.812","0.003","90","","2383.34","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H56 O2 P2 Ru S -","- C58 H56 O2 P2 Ru S -","- C116 H112 O4 P4 Ru2 S2 -","2","1","","Feng, Yi-Jhen; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Wang, Yu; Liu, Yi-Hung","Tandem Cyclization of Enynes Containing a Thioether or Ether Linkage via Ruthenium Allenylidene and Vinylidene Complexes","Organometallics","2013","32","21","6379","","10.1021/om400742x","","","0.71073","MoKα","","0.0487","0.0431","","","0.103","0.108","","","","","","1.009","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081899","5.9771","0.0006","10.5284","0.0011","12.4192","0.0013","90","","94.351","0.001","90","","779.28","0.14","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 B N3 -","- C17 H20 B N3 -","- C34 H40 B2 N6 -","2","1","","de Oliveira Freitas, Luiza Baptista; Eisenberger, Patrick; Crudden, Cathleen M.","Mesoionic Carbene‒Boranes","Organometallics","2013","32","22","6635","","10.1021/om400743c","","","0.71073","MoKα","","0.0421","0.0381","","","0.0984","0.102","","","","","","1.07","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081900","10.2257","0.001","8.4615","0.0008","10.24","0.001","90","","91.909","0.001","90","","885.52","0.15","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 B N3 -","- C19 H24 B N3 -","- C38 H48 B2 N6 -","2","1","","de Oliveira Freitas, Luiza Baptista; Eisenberger, Patrick; Crudden, Cathleen M.","Mesoionic Carbene‒Boranes","Organometallics","2013","32","22","6635","","10.1021/om400743c","","","0.71073","MoKα","","0.0456","0.0377","","","0.0872","0.0925","","","","","","1.036","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082006","11.3819","0.0003","14.0201","0.0004","11.7219","0.0003","90","","114.619","0.001","90","","1700.49","0.08","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H33 Al3 Cl2 Cr N P -","- C33 H33 Al Cl3 Cr N P2 -","- C66 H66 Al2 Cl6 Cr2 N2 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0489","0.0384","","","0.0965","0.1032","","","","","","1.065","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082100","12.511","0.005","16.499","0.006","16.071","0.006","90","","104.716","0.004","90","","3209","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H88 Lu N7 O3 -","- C70 H88 Lu N7 O3 -","- C140 H176 Lu2 N14 O6 -","2","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0674","0.0611","","","0.1523","0.1639","","","","","","1.005","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082152","11.918","0.005","22.919","0.009","12.246","0.004","90","","90.891","0.003","90","","3345","2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H75 La O9 Zn3 -","- C78 H75 La O9 Zn3 -","- C156 H150 La2 O18 Zn6 -","2","1","","Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts","Organometallics","2013","32","24","7431","","10.1021/om4009444","","","0.71069","MoKα","","0.0685","0.0562","","","0.1392","0.151","","","","","","1.062","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082153","11.9416","0.0009","22.9328","0.0018","12.2427","0.001","90","","91.173","0.003","90","","3352","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H75 O9 Pr Zn3 -","- C78 H75 O9 Pr Zn3 -","- C156 H150 O18 Pr2 Zn6 -","2","1","","Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts","Organometallics","2013","32","24","7431","","10.1021/om4009444","","","0.71073","MoKα","","0.019","0.0174","","","0.0419","0.0428","","","","","","1.067","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082154","11.9711","0.0008","22.8396","0.0016","12.191","0.0009","90","","91.279","0.001","90","","3332.4","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H75 Eu O9 Zn3 -","- C78 H75 Eu O9 Zn3 -","- C156 H150 Eu2 O18 Zn6 -","2","1","","Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts","Organometallics","2013","32","24","7431","","10.1021/om4009444","","","0.71069","MoKα","","0.0444","0.0371","","","0.1005","0.1489","","","","","","1.073","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082160","10.861","0.0004","18.6761","0.0009","11.8121","0.0004","90","","93.598","0.003","90","","2391.26","0.17","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H22 As F4 I Pt -","- C26 H22 As F4 I Pt -","- C104 H88 As4 F16 I4 Pt4 -","4","2","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0434","0.0307","","","0.0485","0.0511","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082248","8.495","0.001","16.87","0.001","11.447","0.001","90","","106.974","0.001","90","","1569","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H35 Cl2 N P2 Pd -","- C35 H35 Cl2 N P2 Pd -","- C70 H70 Cl4 N2 P4 Pd2 -","2","1","","Boubekeur, Leila; Ricard, Louis; Mézailles, Nicolas; Demange, Matthieu; Auffrant, Audrey; Le Floch, Pascal","Nitrogen-Assisted Ortho Lithiation: One-Pot Synthesis of New Classes of Bidentate and Tetradentate Mixed Pσim N Ligands","Organometallics","2006","25","12","3091","","10.1021/om060208e","","","0.71069","MoKα","","0.0197","0.0191","","","0.0517","0.0522","","","","","","1.007","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082269","8.5458","0.0006","15.2243","0.001","23.9895","0.0015","90","","90.042","0.002","90","","3121.1","0.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H42 Cl Ir N2 O -","- C33 H42 Cl Ir N2 O -","- C132 H168 Cl4 Ir4 N8 O4 -","4","2","","Corberán, Rosa; Lillo, Vanessa; Mata, José A.; Fernandez, Elena; Peris, Eduardo","Enantioselective Preparation of a Chiral-at-Metal Cp*Ir(NHC) Complex and Its Application in the Catalytic Diboration of Olefins","Organometallics","2007","26","17","4350","","10.1021/om7004639","","x-ray","0.71073","MoKα","","0.0863","0.0515","","","0.1014","0.1124","","","","","","1.024","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082270","9.4734","0.0004","16.2505","0.0008","9.7948","0.0007","90","","91.773","0.006","90","","1507.16","0.15","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl F6 N O2 P2 Ru -","- C29 H32 Cl F6 N O2 P2 Ru -","- C58 H64 Cl2 F12 N2 O4 P4 Ru2 -","2","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.042","0.0306","","","0.0598","0.0623","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082346","13.4677","0.0012","13.0152","0.0012","14.0491","0.0013","90","","101.833","0.002","90","","2410.3","0.4","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C45 H47 Cl F12 N O2 P2 Rh Sb2 -","- C45 H47 Cl F12 N O2 P2 Rh Sb2 -","- C90 H94 Cl2 F24 N2 O4 P4 Rh2 Sb4 -","2","1","","Carmona, Daniel; Méndez, Isabel; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Metal‒Nitroalkene andaci-Nitro Intermediates in Catalytic Enantioselective Friedel‒Crafts Reactions of Indoles withtrans-β-Nitrostyrenes","Organometallics","2014","33","2","443","","10.1021/om401125q","","","0.71073","MoKα","","0.1182","0.0546","","","0.0964","0.1181","","","","","","0.97","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082385","6.779","0.0007","11.1565","0.0011","23.339","0.002","90","","98.257","0.012","90","","1746.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 Si -","- C19 H22 O3 Si -","- C76 H88 O12 Si4 -","4","2","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.0454","0.0408","","","0.1029","0.1071","","","","","","1.042","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082406","9.9163","0.0004","24.4935","0.0011","12.3964","0.0006","90","","103.723","0.002","90","","2924.9","0.2","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","compound 9a","","- C62.5 H56 Cl3 F6 Fe N O P Pd Sb -","- C62.5 H56 Cl3 F6 Fe N O P Pd Sb -","- C125 H112 Cl6 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","2","1","","Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René","Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates","Organometallics","2014","33","4","1068","","10.1021/om500049f","","","0.71073","MoKα","","0.0609","0.0462","","","0.1098","0.1153","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082409","15.002","0.002","32.905","0.004","15.089","0.002","90","","110.553","0.004","90","","6974.4","1.6","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.4 H40 N2 O2.6 Pd -","- C23.4 H40 N2 O2.6 Pd -","- C234 H400 N20 O26 Pd10 -","10","5","","See Leng Yap, Jeanette; Chen, Houguang Jeremy; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Synthesis, Optical Resolution, and Stereochemical Properties of a Rationally Designed Chiral C‒N Palladacycle","Organometallics","2014","33","4","930","","10.1021/om401044z","","","0.71073","MoKα","","0.0946","0.0574","","","0.1399","0.1798","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082417","8.7549","0.0002","14.9255","0.0004","11.033","0.0002","90","","92.057","0.001","90","","1440.77","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H28 Fe O2 P2 S2 -","- C31 H28 Fe O2 P2 S2 -","- C62 H56 Fe2 O4 P4 S4 -","2","1","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0343","0.029","","","0.0642","0.0665","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082421","9.7292","0.0017","14.665","0.003","13.281","0.002","90","","102.566","0.003","90","","1849.5","0.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H43 Cl2 Co N2 O4 Pd -","- C42 H43 Cl2 Co N2 O4 Pd -","- C84 H86 Cl4 Co2 N4 O8 Pd2 -","2","1","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0535","0.0465","","","0.0977","0.1004","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082435","17.3438","0.0017","5.6276","0.0005","19.2987","0.0017","90","","102.982","0.004","90","","1835.5","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè","Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid","Organometallics","2014","33","3","771","","10.1021/om4011577","","","0.71073","MoKα","","0.0624","0.0438","","","0.0976","0.1066","","","","","","1.04","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082436","17.3629","0.0009","5.6268","0.0002","19.2921","0.0008","90","","103.049","0.003","90","","1836.12","0.14","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè","Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid","Organometallics","2014","33","3","771","","10.1021/om4011577","","","0.71073","MoKα","","0.0864","0.0558","","","0.0999","0.1103","","","","","","1.046","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082456","8.254","0.0008","23.726","0.002","13.4822","0.0012","90","","107.584","0.002","90","","2516.9","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H38 B F4 N O2 P2 Pd -","- C18 H38 B F4 N O2 P2 Pd -","- C72 H152 B4 F16 N4 O8 P8 Pd4 -","4","2","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.023","0.0225","","","0.0582","0.0588","","","","","","1.054","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082457","10.4941","0.0005","15.5535","0.0007","14.7277","0.0007","90","","101.492","0.002","90","","2355.66","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H38 B F4 N P2 Pd -","- C17 H38 B F4 N P2 Pd -","- C68 H152 B4 F16 N4 P8 Pd4 -","4","2","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0626","0.0573","","","0.1487","0.1553","","","","","","1.07","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082458","9.428","0.0004","14.56","0.0005","10.632","0.0004","90","","115.116","0.001","90","","1321.48","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H40 B F4 N P2 Pd -","- C22 H40 B F4 N P2 Pd -","- C44 H80 B2 F8 N2 P4 Pd2 -","2","1","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0404","0.0345","","","0.0683","0.0713","","","","","","1.027","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082474","8.4293","0.0001","26.3296","0.0003","14.5271","0.0002","90","","91.0399","0.0007","90","","3223.61","0.07","160","1","160","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C69 H54 B2 Cl2 F8 O4 Pd S4 -","- C68 H52 B2 F8 O4 Pd S4 -","- C136 H104 B4 F16 O8 Pd2 S8 -","2","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0479","0.0389","","","0.0918","0.0971","","","","","","1.09","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082475","10.185","0.0002","16.3539","0.0002","11.0248","0.0002","90","","103.372","0.0005","90","","1786.55","0.05","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 F6 O6 Pt S2 -","- C38 H26 F6 O6 Pt S2 -","- C76 H52 F12 O12 Pt2 S4 -","2","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0437","0.0379","","","0.0902","0.0941","","","","","","1.026","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082482","8.0466","0.0002","7.6224","0.0002","11.8986","0.0003","90","","106.668","0.003","90","","699.13","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O P -","- C15 H18 N O P -","- C30 H36 N2 O2 P2 -","2","1","","Ghalib, Mohammed; Jones, Peter G.; Lysenko, Sergej; Heinicke, Joachim W.","Enantiomerically Pure N Chirally Substituted 1,3-Benzazaphospholes: Synthesis, Reactivity towardtBuLi, and Conversion to Functionalized Benzazaphospholes and Catalytically Useful Dihydrobenzazaphospholes","Organometallics","2014","33","3","804","","10.1021/om401184n","","","0.71073","MoKα","","0.0276","0.025","","","0.0684","0.069","","","","","","1.084","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082483","7.71","0.0003","8.008","0.0004","11.3519","0.0004","90","","94.838","0.005","90","","698.39","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N O P -","- C16 H16 N O P -","- C32 H32 N2 O2 P2 -","2","1","","Ghalib, Mohammed; Jones, Peter G.; Lysenko, Sergej; Heinicke, Joachim W.","Enantiomerically Pure N Chirally Substituted 1,3-Benzazaphospholes: Synthesis, Reactivity towardtBuLi, and Conversion to Functionalized Benzazaphospholes and Catalytically Useful Dihydrobenzazaphospholes","Organometallics","2014","33","3","804","","10.1021/om401184n","","","0.71073","MoKα","","0.0427","0.0311","","","0.0605","0.0621","","","","","","0.929","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082488","11.773","0.002","11.594","0.002","18.105","0.003","90","","103.256","0.003","90","","2405.4","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H57 F12 O4 P Ru Sb2 -","- C40 H57 F12 O4 P Ru Sb2 -","- C80 H114 F24 O8 P2 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Pardo, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Alkorta, Ibon; Elguero, José; Oro, Luis A.","Arene‒Ruthenium Chemistry and Brønsted Acid Catalysis of a Chiral Phosphane-Hydroxyl Ligand","Organometallics","2014","33","3","616","","10.1021/om401215m","","","0.71073","MoKα","","0.0852","0.0482","","","0.0954","0.1102","","","","","","1.01","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082558","9.21749","0.00008","18.33429","0.00017","10.64812","0.0001","90","","90.5304","0.0008","90","","1799.41","0.03","180.1","","180.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H40 Cl I2 N3 Pd -","- C38 H40 Cl I2 N3 Pd -","- C76 H80 Cl2 I4 N6 Pd2 -","2","1","","Benhamou, Laure; Besnard, Céline; Kündig, E. Peter","Chiral PEPPSI Complexes: Synthesis, Characterization, and Application in Asymmetric Suzuki‒Miyaura Coupling Reactions","Organometallics","2014","33","1","260","","10.1021/om4009982","","","1.5418","CuKα","","0.0273","0.0266","","","0.0706","0.0714","","","","","","0.908","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082559","9.1784","0.0001","18.4176","0.0002","10.7051","0.0001","90","","91.37","0.001","90","","1809.12","0.03","190","0.14","190","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl I2 N3 Pd -","- C38 H42 Cl I2 N3 Pd -","- C76 H84 Cl2 I4 N6 Pd2 -","2","1","","Benhamou, Laure; Besnard, Céline; Kündig, E. Peter","Chiral PEPPSI Complexes: Synthesis, Characterization, and Application in Asymmetric Suzuki‒Miyaura Coupling Reactions","Organometallics","2014","33","1","260","","10.1021/om4009982","","","0.7107","MoKα","","0.0227","0.0202","","","0.0421","0.0434","","","","","","1.036","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082563","7.1915","0.0002","21.439","0.0007","12.2763","0.0003","90","","101.495","0.003","90","","1854.78","0.09","291","","291","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Cl N2 O Pd -","- C21 H17 Cl N2 O Pd -","- C84 H68 Cl4 N8 O4 Pd4 -","4","2","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0463","0.0388","","","0.0784","0.0835","","","","","","1.021","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082564","6.0672","0.0006","17.9824","0.0012","12.2022","0.0009","90","","100.61","0.008","90","","1308.53","0.19","291.15","","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H33 Cl N2 O Pd -","- C32 H19 Cl N2 O Pd -","- C64 H38 Cl2 N4 O2 Pd2 -","2","1","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0512","0.0442","","","0.1121","0.1186","","","","","","1.063","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082592","8.9042","0.0003","22.335","0.0011","9.5791","0.0003","90","","90.057","0.003","90","","1905.05","0.13","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N2 Si -","- C21 H30 N2 Si -","- C84 H120 N8 Si4 -","4","2","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0474","0.0396","","","0.0807","0.0844","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082664","10.9079","0.0005","13.0592","0.0005","16.4818","0.0007","90","","107.951","0.003","90","","2233.52","0.17","148","2","148","2","","","","","","","","8","P 1 21 1","P 2yb","4","13145a","","","- C49 H50 B Mo N O5 P2 S -","- C49 H50 B Mo N O5 P2 S -","- C98 H100 B2 Mo2 N2 O10 P4 S2 -","2","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","1.54178","CuKα","","0.0663","0.056","","","0.13","0.1365","","","","","","1.043","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082665","10.961","0.004","13.067","0.005","16.442","0.006","90","","107.877","0.004","90","","2241.2","1.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","13140zz","","","- C49 H50 B N O5 P2 S W -","- C49 H50 B N O5 P2 S W -","- C98 H100 B2 N2 O10 P4 S2 W2 -","2","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0503","0.0427","","","0.0825","0.0859","","","","","","0.986","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082700","11.5886","0.0007","9.2766","0.0011","43.509","0.003","90","","94.34","0.005","90","","4663.9","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H46 Cl2 N2 O2 P2 Pd2 -","- C51 H46 Cl2 N2 O2 P2 Pd2 -","- C204 H184 Cl8 N8 O8 P8 Pd8 -","4","2","","Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda","Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers","Organometallics","2014","33","5","1227","","10.1021/om500008v","","","0.71073","MoKα","","","0.1035","","","","0.2706","","","","","","1.044","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082743","8.381","0.002","16.03","0.004","9.963","0.003","90","","112.075","0.004","90","","1240.4","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 Si Y -","- C24 H33 N2 Si Y -","- C48 H66 N4 Si2 Y2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0543","0.0443","","","0.1084","0.113","","","","","","1.063","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082744","8.432","0.0006","16.042","0.0012","9.964","0.0008","90","","112.271","0.001","90","","1247.25","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Eu N2 Si -","- C24 H33 Eu N2 Si -","- C48 H66 Eu2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0366","0.0298","","","0.0531","0.0556","","","","","","0.938","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082745","8.445","0.004","16.075","0.008","9.986","0.005","90","","112.351","0.009","90","","1253.8","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Gd N2 Si -","- C24 H33 Gd N2 Si -","- C48 H66 Gd2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0606","0.0398","","","0.0665","0.0751","","","","","","0.898","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082746","8.4031","0.0012","16.039","0.002","9.9837","0.0015","90","","112.113","0.002","90","","1246.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 Si Tb -","- C24 H33 N2 Si Tb -","- C48 H66 N4 Si2 Tb2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0521","0.0354","","","0.0621","0.0667","","","","","","1.026","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082747","8.408","0.004","15.977","0.007","9.957","0.004","90","","112.177","0.007","90","","1238.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Dy N2 Si -","- C24 H33 Dy N2 Si -","- C48 H66 Dy2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0753","0.046","","","0.072","0.0812","","","","","","1.008","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082748","8.343","0.006","15.938","0.011","9.914","0.007","90","","112.012","0.01","90","","1222.2","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Er N2 Si -","- C24 H33 Er N2 Si -","- C48 H66 Er2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0305","0.0283","","","0.0642","0.0652","","","","","","1","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082775","9.6322","0.0005","17.8431","0.0009","10.1028","0.0005","90","","103.335","0.001","90","","1689.54","0.15","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H57 Mn P Si5 -","- C22 H57 Mn P Si5 -","- C44 H114 Mn2 P2 Si10 -","2","1","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.0431","0.0388","","","0.0815","0.0843","","","","","","1.068","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082832","15.0327","0.0007","11.5362","0.0003","16.0877","0.0007","90","","111.76","0.002","90","","2591.14","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H54 Cl O2 P3 Ru -","- C64 H54 Cl O2 P3 Ru -","- C128 H108 Cl2 O4 P6 Ru2 -","2","1","","Pingen, Dennis; Lutz, Martin; Vogt, Dieter","Mechanistic Study on the Ruthenium-Catalyzed Direct Amination of Alcohols","Organometallics","2014","33","7","1623","","10.1021/om4011998","","","0.71073","MoKα","","0.0255","0.0229","","","0.0533","0.0541","","","","","","1.029","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082873","9.2594","0.0005","16.0522","0.0009","12.3959","0.0007","90","","110.711","0.002","90","","1723.38","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H38 Cl2 F4 Pt2 S2 -","- C33 H38 Cl2 F4 Pt2 S2 -","- C66 H76 Cl4 F8 Pt4 S4 -","2","1","","Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta","Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents","Organometallics","2014","33","7","1740","","10.1021/om5000908","","","0.71073","MoKα","","0.0238","0.0235","","","0.0536","0.0539","","","","","","1.052","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082883","16.1148","0.0002","18.9167","0.0003","16.4436","0.0002","90","","92.763","0.0012","90","","5006.82","0.12","291","2","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C103 H88 Cl10 N10 O4 Pd2 -","- C103 H88 Cl10 N10 O4 Pd2 -","- C206 H176 Cl20 N20 O8 Pd4 -","2","1","","Hao, Xin-Qi; Zhao, Yong-Wei; Yang, Jing-Jing; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","Enantioselective Hydrophosphination of Enones with Diphenylphosphine Catalyzed by Bis(imidazoline) NCN Pincer Palladium(II) Complexes","Organometallics","2014","33","7","1801","","10.1021/om500144b","","","1.5418","CuKα","","0.0481","0.0432","","","0.1145","0.1197","","","","","","1.028","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082887","12.418","0.0006","14.8558","0.0008","15.5675","0.0008","90","","99.621","0.002","90","","2831.5","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C55 H55 Cl4 F12 Fe P4 Ru -","- C55 H55 Cl4 F12 Fe P4 Ru -","- C110 H110 Cl8 F24 Fe2 P8 Ru2 -","2","1","","Makhoul, Rim; Sahnoune, Hiba; Davin, Thomas; Kahlal, Samia; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude","Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe‒C\τb C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+Arenophile","Organometallics","2014","33","18","4792","","10.1021/om500047k","","x-ray","0.71073","MoKα","","0.1265","0.0738","","","0.1812","0.2109","","","","","","1.035","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082905","7.3325","0.0008","13.0641","0.0014","11.9705","0.0013","90","","94.357","0.002","90","","1143.4","0.2","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 B Fe N2 O -","- C27 H27 B Fe N2 O -","- C54 H54 B2 Fe2 N4 O2 -","2","1","","Rao, Ying-Li; Kusamoto, Tetsuro; Sakamoto, Ryota; Nishihara, Hiroshi; Wang, Suning","Reactivity and Electronic Properties of a Ferrocene Molecule Bearing an N,C-Chelated BMes2Unit","Organometallics","2014","33","7","1787","","10.1021/om500138f","","","0.71073","MoKα","","0.0567","0.0406","","","0.0731","0.0796","","","","","","0.978","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082962","11.3707","0.0015","19.982","0.003","13.084","0.003","90","","108.385","0.008","90","","2821.1","0.9","135","","135","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H84 Co N4 P3 Zr -","- C58 H84 Co N4 P3 Zr -","- C116 H168 Co2 N8 P6 Zr2 -","2","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.072","0.0567","","0.1378","0.1306","0.1378","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082968","11.3173","0.0003","9.5521","0.0003","20.2125","0.0005","90","","93.674","0.002","90","","2180.56","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1695 afzi666 (R,S~Fc~,S~Fc~)-2.(BH3)2.CH2Cl2","(S~Fc~)-2-((R)-1-Diphenylphosphinoethyl)-(S~Fc~)-2''-diphenylphosphino- 1,1''-biferrocene P,P'' bis-borane dichloromethane solvate, (R,S~Fc~,S~Fc~)-2.(BH3)2.CH2Cl2","","- C47 H48 B2 Cl2 Fe2 P2 -","- C46 H46 B2 Fe2 P2 -","- C92 H92 B4 Fe4 P4 -","2","1","","Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.","Organometallics","2014","33","8","1945","1952","10.1021/om401074a","","","0.71073","MoKα","","0.0342","0.0289","","","0.0659","0.0679","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082969","7.3616","0.0003","18.1714","0.0007","22.4087","0.0009","90","","99.319","0.002","90","","2958.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1573 yw32-2 (R,S~Fc~,S~Fc~)-6 xx3","(R,S~Fc~,S~Fc~)-2-[1-(N,N-Dimethylamino)ethyl]-2''-diphenylphosphino- 1,1''-biferrocene, (R,S~Fc~,S~Fc~)-6","","- C36 H36 Fe2 N P -","- C36 H36 Fe2 N P -","- C144 H144 Fe8 N4 P4 -","4","2","","Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.","Organometallics","2014","33","8","1945","1952","10.1021/om401074a","","","0.71073","MoKα","","0.0472","0.0406","","","0.0827","0.0847","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082970","10.4728","0.0004","8.1019","0.0003","17.7567","0.0006","90","","100.508","0.002","90","","1481.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1651 (R,S~Fc~,S~Fc~)-7","(R,S~Fc~,S~Fc~)-2-[1-(N,N-Dimethylamino)ethyl]-2''-diphenylphosphinyl- 1,1''-biferrocene, (R,S~Fc~,S~Fc~)-7","","- C36 H36 Fe2 N O P -","- C36 H36 Fe2 N O P -","- C72 H72 Fe4 N2 O2 P2 -","2","1","","Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.","Organometallics","2014","33","8","1945","1952","10.1021/om401074a","","","0.71073","MoKα","","0.0197","0.0194","","","0.0515","0.0516","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083005","9.061","0.0001","15.746","0.0002","12.85","0.0002","90","","92.849","0.001","90","","1831.1","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H47 N2 P2 Rh -","- C44 H47 N2 P2 Rh -","- C88 H94 N4 P4 Rh2 -","2","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0277","0.025","","","0.0567","0.0581","","","","","","1.032","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083021","8.527","0.0002","11.6905","0.0003","12.238","0.0003","90","","98.484","0.001","90","","1206.59","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H42 Al2 N4 -","- C19 H42 Al2 N4 -","- C38 H84 Al4 N8 -","2","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0343","0.0301","","","0.0775","0.0803","","","","","","1.057","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083125","23.6025","0.0008","16.7839","0.0006","33.6545","0.0011","90","","107.281","0.002","90","","12730.1","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C487 H638 Au24 F48 O29 P24 -","- C487 H638 Au24 F48 O29 P24 -","- C487 H638 Au24 F48 O29 P24 -","1","0.5","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0421","0.0324","","","0.0739","0.0772","","","","","","1.043","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083164","8.3103","0.0003","18.3198","0.0009","9.518","0.0003","90","","114.573","0.002","90","","1317.81","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H27 N P2 S -","- C31 H27 N P2 S -","- C62 H54 N2 P4 S2 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","x-ray","0.71073","MoKα","","0.0453","0.0385","","","0.0926","0.0968","","","","","","1.058","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083167","8.6574","0.0009","11.7718","0.0012","17.2664","0.0017","90","","101.742","0.002","90","","1722.9","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 N Ni O P2 S2 -","- C34 H33 Cl2 N Ni O P2 S2 -","- C68 H66 Cl4 N2 Ni2 O2 P4 S4 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","","0.71073","MoKα","","0.074","0.0447","","","0.0799","0.0882","","","","","","0.964","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083171","10.032","0.004","9.496","0.005","18.872","0.005","90","","99.66","0.02","90","","1772.3","1.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H39 N3 Ni O5 -","- C42 H37 N3 Ni O5 -","- C84 H74 N6 Ni2 O10 -","2","1","","Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Kiskin, Mikhail A.; Churakov, Andrei V.; Babievsky, Konstantin K.; Kochetkov, Konstantin A.","Electrochemically Deprotonated Chiral Nickel(II) Glycinate in Stereoselective Nucleophilic Addition to Michael Acceptors: Advantages and Limitations","Organometallics","2014","33","18","4629","","10.1021/om500070n","","","0.71073","MoKα","","0.0635","0.0377","","","0.0944","0.1054","","","","","","1.074","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083278","15.2401","0.0005","30.2619","0.0012","15.5994","0.0006","90","","118.643","0.002","90","","6313.9","0.4","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","Compound [FBIP-CL]~2~","","- C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4 -","- C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4 -","- C230 H190 Cl50 Fe4 N16 O16 Pd4 Pt4 S8 -","2","1","","Weiss, Marcel; Frey, Wolfgang; Peters, René","Asymmetric Synthesis of Heterobimetallic Planar Chiral Ferrocene Pallada-/Platinacycles and Their Application to Enantioselective Aza-Claisen Rearrangements","Organometallics","2012","31","17","6365","","10.1021/om300600v","","","0.71073","MoKα","","0.0575","0.0492","","","0.1202","0.1231","","","","","","1.082","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083279","18.279","0.006","14.532","0.004","34.588","0.007","90","","103.87","0.02","90","","8920","4","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","compound 2","","- C86 H116 Cl4 Fe N6 O4 Pd Pt S2 -","- C86 H116 Cl4 Fe N6 O4 Pd Pt S2 -","- C344 H464 Cl16 Fe4 N24 O16 Pd4 Pt4 S8 -","4","2","","Weiss, Marcel; Frey, Wolfgang; Peters, René","Asymmetric Synthesis of Heterobimetallic Planar Chiral Ferrocene Pallada-/Platinacycles and Their Application to Enantioselective Aza-Claisen Rearrangements","Organometallics","2012","31","17","6365","","10.1021/om300600v","","","0.71073","MoKα","","0.2547","0.1334","","","0.2657","0.3097","","","","","","1.14","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083347","16.653","0.0005","14.6331","0.0004","24.9527","0.0005","90","","102.877","0.001","90","","5927.7","0.3","150","2","150","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C101 H54 B4 Ca2 Cl10 F72 N4 O10 -","- C101 H52 B4 Ca2 Cl10 F72 N4 O10 -","- C202 H104 B8 Ca4 Cl20 F144 N8 O20 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1267","0.0622","","","0.1161","0.1435","","","","","","1.015","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083356","11.338","0.0009","11.5183","0.0009","21.7152","0.0018","90","","97.874","0.004","90","","2809.1","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C40 H72 Ca2 F12 N4 O4 Si4 -","- C40 H72 Ca2 F12 N4 O4 Si4 -","- C80 H144 Ca4 F24 N8 O8 Si8 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1564","0.1012","","","0.2309","0.2721","","","","","","1.09","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083367","14.9581","0.0007","33.58","0.002","15.7372","0.0007","90","","90.044","0.002","90","","7904.7","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.25 H26.5 B2 Cl0.5 F20 N4 -","- C40.25 H26.5 B2 Cl0.5 F20 N4 -","- C322 H212 B16 Cl4 F160 N32 -","8","4","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.0823","0.0521","","","0.1241","0.1404","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083386","10.0577","0.0019","10.8143","0.001","13.1328","0.0019","90","","100.152","0.014","90","","1406.1","0.4","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 B F4 Mn O4 -","- C11 H10 B F4 Mn O4 -","- C44 H40 B4 F16 Mn4 O16 -","4","2","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick","Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes","Organometallics","2010","29","17","3876","","10.1021/om100564v","","","0.71073","MoKα","","0.096","0.0727","","0.1149","0.0831","0.0797","","","","","","1.0744","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083387","7.3987","0.0011","9.934","0.0012","13.8457","0.0019","90","","91.739","0.011","90","","1017.2","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Mn O5 -","- C21 H25 Mn O5 -","- C42 H50 Mn2 O10 -","2","1","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick","Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes","Organometallics","2010","29","17","3876","","10.1021/om100564v","","","0.71073","MoKα","","0.0308","0.0258","","0.0338","0.0298","0.0293","","","","","","1.0793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083389","7.138","0.006","12.326","0.004","15.347","0.009","90","","93.63","0.09","90","","1347.6","1.5","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H7 B Br F4 Mn O4 -","- C10 H7 B Br F4 Mn O4 -","- C40 H28 B4 Br4 F16 Mn4 O16 -","4","2","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick","Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes","Organometallics","2010","29","17","3876","","10.1021/om100564v","","","0.71073","MoKα","","0.0784","0.0453","","0.0968","0.0644","0.0968","","","","","","1.0741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083397","8.413","0.004","17.455","0.009","9.899","0.005","90","","108.337","0.006","90","","1379.8","1.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,6-diisopropyl-N-(1-phenylvinyl)benzenamino magnesium bromine","","- C28 H40 Br Mg N O2 -","- C28 H40 Br Mg N O2 -","- C56 H80 Br2 Mg2 N2 O4 -","2","1","","Yuan, Shifang; Bai, Shengdi; Liu, Diansheng; Sun, Wen-Hua","(η3-Azaallyl)zirconium Chlorides: Synthesis, Characterization, and Ethylene (Co-)polymerization Activity","Organometallics","2010","29","9","2132","","10.1021/om100133b","","","0.71073","MoKα","","0.0775","0.0577","","","0.1341","0.1617","","","","","","1.024","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083510","8.092","0.005","20.908","0.013","10.379","0.007","90","","98.975","0.007","90","","1734.5","1.9","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N4 Pt -","- C18 H20 N4 Pt -","- C72 H80 N16 Pt4 -","4","2","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM","Organometallics","2008","27","6","1030","","10.1021/om701264z","","","0.71073","MoKα","","0.0177","0.0165","","","0.036","0.0364","","","","","","0.951","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083520","12.1563","0.0004","17.504","0.0006","14.4607","0.0005","90","","101.669","0.0011","90","","3013.41","0.18","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H115 N3 O3 P2 Ru2 -","- C57 H101 N3 O3 P2 Ru2 -","- C114 H202 N6 O6 P4 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0538","0.048","","","0.1164","0.1207","","","","","","1.044","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083554","8.6949","0.0001","12.9675","0.0002","10.2194","0.0001","90","","92.612","0.001","90","","1151.05","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 B2 Fe -","- C28 H32 B2 Fe -","- C56 H64 B4 Fe2 -","2","1","","Mushtaq, Ambreen; Bi, Wenhua; Légaré, Marc-André; Fontaine, Frédéric-Georges","Synthesis and Reactivity of Novel Mesityl Boratabenzene Ligands and Their Coordination to Transition Metals","Organometallics","2014","33","12","3173","","10.1021/om500406b","","","0.71073","MoKα","","0.0314","0.0295","","","0.0789","0.0801","","","","","","1.043","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083555","10.2792","0.0008","9.3315","0.0007","18.8328","0.0013","90","","100.81","0.002","90","","1774.4","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33.5 H35 B Cl F4 O3 P2 Rh -","- C33.5 H35 B Cl F4 O3 P2 Rh -","- C67 H70 B2 Cl2 F8 O6 P4 Rh2 -","2","1","","Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton","1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations","Organometallics","2014","33","12","2960","","10.1021/om500378b","","","0.71073","MoKα","","0.0807","0.0768","","","0.2223","0.2277","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083588","9.6538","0.0008","18.279","0.0015","10.1808","0.0008","90","","100.308","0.002","90","","1767.5","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H54 Fe P2 Si2 -","- C32 H54 Fe P2 Si2 -","- C64 H108 Fe2 P4 Si4 -","2","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","0.71073","MoKα","","0.0191","0.0178","","","0.0456","0.046","","","","","","1.027","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083603","6.3024","0.0013","11.18","0.002","17.405","0.004","90","","90.49","0.03","90","","1226.3","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","dimethyl[2,4,6-tris(pentafluorophenyl)phenyl]silane","","- C26 H9 F15 Si -","- C26 H9 F15 Si -","- C52 H18 F30 Si2 -","2","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.0702","0.0406","","","0.08","0.0861","","","","","","0.888","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083631","11.334","0.007","11.146","0.007","15.082","0.009","90","0.011","109.201","0.01","90","0.01","1799.3","1.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H55 Cl Ir N5 -","- C40 H55 Cl Ir N5 -","- C80 H110 Cl2 Ir2 N10 -","2","1","","Chen, Dianjun; Banphavichit, Vorawit; Reibenspies, Joe; Burgess, Kevin","New Optically ActiveN-Heterocyclic Carbene Complexes for Hydrogenation: A Tale with an Atropisomeric Twist","Organometallics","2007","26","4","855","","10.1021/om061013+","","","0.71073","MoKα","","0.0582","0.045","","","0.082","0.0865","","","","","","1.064","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083645","12.245","0.003","15.001","0.004","19.71","0.005","90","","93.793","0.004","90","","3612.5","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88.6 H94.18 Mo N O6.65 -","- C88.592 H94.184 Mo N O6.648 -","- C177.184 H188.368 Mo2 N2 O13.296 -","2","1","","Singh, Rojendra; Czekelius, Constantin; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Molybdenum Imido Alkylidene Metathesis Catalysts that Contain Electron Withdrawing Biphenolates or Binaphtholates.","Organometallics","2007","26","10","2528","2539","10.1021/om061134+","","","0.71073","MoKα","","0.0551","0.0461","","","0.1203","0.1263","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083656","9.7085","0.0011","17.605","0.002","10.1862","0.0012","90","","113.078","0.001","90","","1601.7","0.3","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H33 B F10 N P Si -","- C30 H33 B F10 N P Si -","- C60 H66 B2 F20 N2 P2 Si2 -","2","1","","Alhomaidan, Osamah; Hollink, Emily; Stephan, Douglas W.","Main Group Heterocycles from Lithiated Phosphinimines","Organometallics","2007","26","12","3041","","10.1021/om070154o","","","0.71073","MoKα","","0.0586","0.0445","","","0.1131","0.1229","","","","","","1.011","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083699","14.3712","0.0006","15.1053","0.0006","14.8377","0.0006","90","","103.29","0.002","90","","3134.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C64 H44 F24 Li N4 O4 Y -","- C64 H44 F24 Li N4 O4 Y -","- C128 H88 F48 Li2 N8 O8 Y2 -","2","1","","Maudoux, Nicolas; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Aluminum, Indium, and Mixed Yttrium‒Lithium Complexes Supported by a Chiral Binap-Based Fluorinated Dialkoxide: Structural Features and Heteroselective ROP of Lactide","Organometallics","2014","33","20","5740","","10.1021/om500458g","","x-ray","0.71073","MoKα","","0.0762","0.0409","","","0.0723","0.0842","","","","","","0.809","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083700","11.3536","0.0013","18.838","0.002","14.376","0.0018","90","","90.602","0.007","90","","3074.6","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C32 H24 F12 N2 O2 -","- C32 H24 F12 N2 O2 -","- C128 H96 F48 N8 O8 -","4","2","","Maudoux, Nicolas; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Aluminum, Indium, and Mixed Yttrium‒Lithium Complexes Supported by a Chiral Binap-Based Fluorinated Dialkoxide: Structural Features and Heteroselective ROP of Lactide","Organometallics","2014","33","20","5740","","10.1021/om500458g","","x-ray","0.71073","MoKα","","0.1288","0.0827","","","0.2107","0.2541","","","","","","0.961","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083729","9.9084","0.0011","11.4654","0.0013","10.2073","0.0011","90","","100.555","0.002","90","","1140","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Fe N2 O8 -","- C22 H28 Fe N2 O8 -","- C44 H56 Fe2 N4 O16 -","2","1","","Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard","Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies","Organometallics","2014","33","18","4873","","10.1021/om500032p","","","0.71073","MoKα","","0.0183","0.0178","","","0.0485","0.0488","","","","","","1.043","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083860","7.6482","0.001","17.062","0.002","8.8172","0.0011","90","","91.852","0.002","90","","1150","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H39 Fe P -","- C24 H39 Fe P -","- C48 H78 Fe2 P2 -","2","1","","Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.","Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.","Organometallics","2014","33","20","5897","5906","10.1021/om5004013","","","0.71073","MoKα","","0.0372","0.0325","","","0.0759","0.0788","","","","","","1.039","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4084026","8.7978","0.0001","17.6135","0.0003","11.061","0.0002","90","","112.303","0.001","90","","1585.79","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 Cl6 Zr2 -","- C28 H38 Cl6 Zr2 -","- C56 H76 Cl12 Zr4 -","2","1","","Turner, Zoë R.; Buffet, Jean-Charles; O’Hare, Dermot","Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers","Organometallics","2014","33","14","3891","","10.1021/om500634a","","","0.71073","MoKα","","0.0436","0.036","","","0.076","0.0804","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084027","8.7904","0.0002","17.573","0.0004","11.0616","0.0003","90","","112.495","0.001","90","","1578.71","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 Cl6 Hf2 -","- C28 H38 Cl6 Hf2 -","- C56 H76 Cl12 Hf4 -","2","1","","Turner, Zoë R.; Buffet, Jean-Charles; O’Hare, Dermot","Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers","Organometallics","2014","33","14","3891","","10.1021/om500634a","","","0.71073","MoKα","","0.0792","0.0514","","","0.1051","0.1184","","","","","","1.055","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084031","6.5559","0.0002","18.9486","0.0005","15.7614","0.0004","90","","90.924","0.003","90","","1957.71","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 Zr -","- C25 H28 Zr -","- C100 H112 Zr4 -","4","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","1.54184","CuKα","","0.0256","0.0247","","","0.0588","0.0594","","","","","","1.024","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084070","9.087","0.003","13.838","0.004","9.412","0.003","90","","116.876","0.004","90","","1055.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 4","","","- C23 H29 B N O2 P -","- C23 H29 B N O2 P -","- C46 H58 B2 N2 O4 P2 -","2","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0736","0.0538","","","0.113","0.1211","","","","","","0.969","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084071","11.5919","0.0008","8.693","0.0006","12.5598","0.0008","90","","106.365","0.001","90","","1214.36","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 5","","","- C26 H28 B2 O2 P2 -","- C26 H27.474 B2 O2 P2 -","- C52 H54.948 B4 O4 P4 -","2","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0632","0.0435","","","0.0941","0.102","","","","","","0.97","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084073","10.9951","0.0002","16.9467","0.0004","11.7348","0.0003","90","","113.012","0.001","90","","2012.55","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1a)](BF4)2 (10a)","","","- C40 H47 B2 F8 Fe N5 P2 -","- C40 H47 B2 F8 Fe N5 P2 -","- C80 H94 B4 F16 Fe2 N10 P4 -","2","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0436","0.037","","","0.0866","0.0903","","","","","","1.025","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084075","11.547","0.002","18.74","0.004","12.546","0.003","90","","112.51","0.03","90","","2508","1.1","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl4 N4 O4 Pd2 -","- C48 H56 Cl4 N4 O4 Pd2 -","- C96 H112 Cl8 N8 O8 Pd4 -","2","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","Cyclometalated 2-Phenylimidazole Palladium Carbene Complexes in the Catalytic Suzuki‒Miyaura Cross-Coupling Reaction","Organometallics","2014","33","15","3966","","10.1021/om5004336","","","0.71073","MoKα","","0.0672","0.034","","","0.095","0.1091","","","","","","1.211","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084104","10.80156","0.00005","19.60167","0.00007","15.81324","0.00006","90","","97.2509","0.0004","90","","3321.34","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34.283 H42.752 I N6 Ni -","- C34.283 H42.752 I N6 Ni -","- C137.132 H171.008 I4 N24 Ni4 -","4","2","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","1.54184","CuKα","","0.0286","0.0274","","","0.0698","0.0708","","","","","","1.039","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084135","9.972","0.002","9.467","0.002","19.936","0.004","90","","95.282","0.003","90","","1874.1","0.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H41 F6 Ir N2 O3 P Sb -","- C39 H41 F6 Ir N2 O3 P Sb -","- C78 H82 F12 Ir2 N4 O6 P2 Sb2 -","2","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Chiral Brønsted Acid Catalysts. Activation of Methyl 3,3,3-Trifluoropyruvate by Hydroxymethylpyridine-Containing Half-Sandwich Complexes","Organometallics","2014","33","15","4016","","10.1021/om5005463","","","0.71073","MoKα","","0.1688","0.0757","","","0.139","0.1758","","","","","","0.965","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084166","12.5649","0.0003","16.7437","0.0005","17.7868","0.0005","90","","91.3756","0.0016","90","","3740.96","0.18","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C160 H232 N8 O24 -","8","4","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0531","","","","0.0516","","","","","","0.801","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084204","18.362","0.0002","14.8757","0.0002","23.7754","0.0003","90","","105.456","0.001","90","","6259.33","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H42 N2 P2 Ru -","- C53 H42 N2 P2 Ru -","- C318 H252 N12 P12 Ru6 -","6","3","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","1.54178","CuKα","","0.0745","0.0694","","","0.1688","0.1762","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084226","8.675","0.001","14.879","0.002","8.956","0.002","90","","107.73","0.01","90","","1101.1","0.3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H29 K O6 Te -","- C18 H29 K O6 Te -","- C36 H58 K2 O12 Te2 -","2","1","","Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.","Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory","Organometallics","2014","33","16","4302","","10.1021/om5006403","","","0.71073","MoKα","","0.03","0.0283","","","0.0711","0.0721","","","","","","1.062","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084289","16.1738","0.0018","13.9542","0.0015","17.0592","0.0018","90","","92.634","0.007","90","","3846.1","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","sef1_99a","sef1_99a","","- C42 H54.63 Cl N4 O P Ru -","- C42 H54.63 Cl N4 O P Ru -","- C168 H218.52 Cl4 N16 O4 P4 Ru4 -","4","2","","Flowers, Sarah E.; Cossairt, Brandi M.","Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand","Organometallics","2014","33","17","4341","","10.1021/om500592u","","","0.71073","MoKα","","0.1423","0.0876","","","0.1593","0.1764","","","","","","1.038","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084309","13.0216","0.0014","20.233","0.002","19.342","0.002","90","","92.639","0.002","90","","5090.6","0.9","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","7 in manuscript","","","- C54 H43 Au B F15 N2 -","- C54 H43 Au B F15 N2 -","- C216 H172 Au4 B4 F60 N8 -","4","2","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.1109","0.0596","","","0.0976","0.1185","","","","","","1.002","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084362","9.9903","0.0005","9.5798","0.0005","10.6039","0.0006","90","","108.572","0.006","90","","962","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 B P2 -","- C19 H29 B P2 -","- C38 H58 B2 P4 -","2","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0409","0.0357","","","0.0787","0.0832","","","","","","1.075","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084367","9.2843","0.0006","17.0975","0.0007","9.3062","0.0005","90","","113.598","0.007","90","","1353.72","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H41 Li N2 P2 -","- C25 H41 Li N2 P2 -","- C50 H82 Li2 N4 P4 -","2","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0318","0.0285","","","0.0678","0.07","","","","","","1.06","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084375","10.1532","0.001","14.2472","0.0014","13.6316","0.0014","90","","95.492","0.001","90","","1962.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H60 Fe N6 -","- C45 H60 Fe N6 -","- C90 H120 Fe2 N12 -","2","1","","Darmon, Jonathan M.; Yu, Renyuan Pony; Semproni, Scott P.; Turner, Zoë R; Stieber, S Chantal E; DeBeer, Serena; Chirik, Paul J.","Electronic Structure Determination of Pyridine N-Heterocyclic Carbene Iron Dinitrogen Complexes and Neutral Ligand Derivatives.","Organometallics","2014","33","19","5423","5433","10.1021/om500727t","","","0.71073","MoKα","","0.0428","0.0345","","","0.0774","0.0806","","","","","","1.024","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084458","9.3988","0.001","15.9775","0.0016","9.8203","0.001","90","","118.242","0.0015","90","","1299.2","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H40 O P2 Pd -","- C26 H40 O P2 Pd -","- C52 H80 O2 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0563","0.0516","","","0.1239","0.1267","","","","","","1.106","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084473","13.256","0.002","9.9817","0.0019","13.766","0.002","90","","95.724","0.012","90","","1812.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H48 N4 O2 Si -","- C40 H48 N4 O2 Si -","- C80 H96 N8 O4 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.04","0.0337","","","0.0693","0.0724","","","","","","1.034","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084541","11.8424","0.0003","10.3752","0.0002","19.0248","0.0004","90","","103.524","0.001","90","","2272.71","0.09","147","2","147","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H45 B2 F8 Fe N4 O0.5 P2 -","- C46 H45 B2 F8 Fe N4 O0.5 P2 -","- C92 H90 B4 F16 Fe2 N8 O P4 -","2","1","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","1.54178","CuKα","","0.0394","0.0355","","","0.0878","0.0894","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084543","10.2404","0.0004","14.3315","0.0004","23.1281","0.0008","90","","94.945","0.002","90","","3381.7","0.2","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H35 Br2 Fe N P2 -","- C36 H35 Br2 Fe N P2 -","- C144 H140 Br8 Fe4 N4 P8 -","4","2","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","1.54178","CuKα","","0.049","0.0458","","","0.1097","0.1111","","","","","","1.104","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084582","5.9476","0.0001","16.4899","0.0003","16.5463","0.0003","90","","92.0537","0.0011","90","","1621.74","0.05","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H50 Fe -","- C38 H50 Fe -","- C76 H100 Fe2 -","2","1","","Sasamori, Takahiro; Suzuki, Yuko; Tokitoh, Norihiro","Isolation and Structural Characterization of a Lewis Base-Free Monolithioferrocene","Organometallics","2014","33","22","6696","","10.1021/om500898v","","","0.71075","MoKα","","0.0551","0.0538","","","0.1382","0.1397","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084595","9.7803","0.0004","19.5232","0.0008","14.1969","0.0006","90","","93.865","0.002","90","","2704.63","0.19","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H76 Ce N6 Na O4 -","- C55 H76 Ce N6 Na O4 -","- C110 H152 Ce2 N12 Na2 O8 -","2","1","","Kim, Jee Eon; Weinberger, David S.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis, Structural Characterization, and Carbonyl Addition Reactivity of a Terminal Cerium(III) Acetylide Complex","Organometallics","2014","33","21","5948","","10.1021/om500899z","","","0.71073","MoKα","","0.039","0.0299","","","0.0669","0.0704","","","","","","1.041","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084609","14.1041","0.0013","5.8359","0.0005","16.704","0.002","90","","92.648","0.009","90","","1373.4","0.2","110.2","0.6","110.2","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H37 Fe2 O4 P -","- C30 H37 Fe2 O4 P -","- C60 H74 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.1476","0.0908","","","0.1454","0.179","","","","","","0.907","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084612","14.7944","0.0013","8.3537","0.0007","22.2802","0.0017","90","","96.93","0.007","90","","2733.4","0.4","110","0.3","110","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 Fe2 O4 P -","- C31 H37 Fe2 O4 P -","- C124 H148 Fe8 O16 P4 -","4","2","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.1636","0.0679","","","0.0825","0.1003","","","","","","0.894","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084661","9.751","0.004","22.949","0.009","15.624","0.006","90","","90.983","0.006","90","","3496","2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 Ru -","- C18 H24 O4 Ru -","- C144 H192 O32 Ru8 -","8","4","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0686","","","","0.2366","","","","","","0.993","","","","has coordinates","275207","2022-05-07","09:50:13",""
"4084662","12.6975","0.0006","13.9407","0.0008","14.5234","0.0006","90","","90.371","0.003","90","","2570.8","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O5 Ru -","- C27 H34 O5 Ru -","- C108 H136 O20 Ru4 -","4","2","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0384","","","","0.1091","","","","","","0.933","","","","has coordinates","275193","2022-05-07","02:47:35",""
"4084718","12.24721","0.00008","17.78581","0.00012","16.56411","0.00011","90","","90.8628","0.0006","90","","3607.69","0.04","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H46 Si2 Sn -","- C42 H46 Si2 Sn -","- C168 H184 Si8 Sn4 -","4","2","","Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin","Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom","Organometallics","2014","33","19","5097","","10.1021/om500851r","","x-ray","1.54184","CuKα","","0.0369","0.0349","","","0.0838","0.0854","","","","","","1.036","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084719","14.4431","0.0007","9.1854","0.0005","14.5944","0.0007","90","","92.797","0.005","90","","1933.87","0.17","150","2","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H34 B F5 O -","- C45 H34 B F5 O -","- C90 H68 B2 F10 O2 -","2","1","","Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin","Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom","Organometallics","2014","33","19","5097","","10.1021/om500851r","","x-ray","1.54184","CuKα","","0.0555","0.0452","","","0.1138","0.1215","","","","","","1.012","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084778","7.7256","0.0003","11.7638","0.0004","11.8184","0.0004","90","","94.969","0.002","90","","1070.05","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C18 H31 N3 Ni O2 P2 -","- C18 H31 N3 Ni O2 P2 -","- C36 H62 N6 Ni2 O4 P4 -","2","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0299","0.029","","","0.0752","0.0759","","","","","","1.056","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084830","15.3215","0.0005","13.8122","0.0004","27.4488","0.0008","90","","103.025","0.002","90","","5659.4","0.3","110.15","","110.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H49 Cl12 N6 O9 P Ru -","- C48 H49 Cl12 N6 O9 P Ru -","- C192 H196 Cl48 N24 O36 P4 Ru4 -","4","2","","Mukherjee, Tathagata; Ganzmann, Carola; Bhuvanesh, Nattamai; Gladysz, John A.","Syntheses of Enantiopure Bifunctional 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes: Highly Enantioselective Organometallic Hydrogen Bond Donor Catalysts for Carbon‒Carbon Bond Forming Reactions","Organometallics","2014","33","23","6723","","10.1021/om500705s","","","1.54178","CuKα","","0.0361","0.0302","","","0.0697","0.072","","","","","","1.056","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084831","10.286","0.002","20.552","0.004","13.183","0.004","90","","111.967","0.002","90","","2584.5","1.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H30 Cl15 N6 O7 P Ru -","- C41 H30 Cl15 N6 O7 P Ru -","- C82 H60 Cl30 N12 O14 P2 Ru2 -","2","1","","Mukherjee, Tathagata; Ganzmann, Carola; Bhuvanesh, Nattamai; Gladysz, John A.","Syntheses of Enantiopure Bifunctional 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes: Highly Enantioselective Organometallic Hydrogen Bond Donor Catalysts for Carbon‒Carbon Bond Forming Reactions","Organometallics","2014","33","23","6723","","10.1021/om500705s","","","0.7749","synchrotron","","0.038","0.0367","","","0.0847","0.0854","","","","","","1.014","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084857","11.2778","0.0002","9.17011","0.00016","16.388","0.0003","90","","91.3639","0.0016","90","","1694.34","0.05","200","0.14","200","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H47 F6 Ir N3 P -","- C33 H47 F6 Ir N3 P -","- C66 H94 F12 Ir2 N6 P2 -","2","1","","Sabater, Sara; Baya, Miguel; Mata, Jose A.","Highly Active Cp*Ir Catalyst at Low Temperatures Bearing an N-Heterocyclic Carbene Ligand and a Chelated Primary Benzylamine in Transfer Hydrogenation","Organometallics","2014","33","23","6830","","10.1021/om500888d","","","0.7107","MoKα","","0.0246","0.0195","","","0.0354","0.0376","","","","","","1.042","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4085004","9.246","0.003","15.111","0.005","9.629","0.003","90","","95.114","0.006","90","","1340","0.7","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 Cl2 N O P Pd -","- C26 H36 Cl2 N O P Pd -","- C52 H72 Cl4 N2 O2 P2 Pd2 -","2","1","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","x-ray","0.71069","MoKα","","0.0579","0.0458","","","0.106","0.1134","","","","","","1.123","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085005","9.9103","0.0019","12.603","0.003","12.636","0.003","90","","102.368","0.004","90","","1541.6","0.6","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl4 N O P Pd -","- C27 H38 Cl4 N O P Pd -","- C54 H76 Cl8 N2 O2 P2 Pd2 -","2","1","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","x-ray","0.71073","MoKα","","0.0748","0.0632","","","0.1473","0.1624","","","","","","1.18","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085080","11.4038","0.0004","11.2214","0.0003","17.0504","0.0004","90","","96.072","0.007","90","","2169.64","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 F24 Ge2 O4 -","- C40 H26 F24 Ge2 O4 -","- C80 H52 F48 Ge4 O8 -","2","1","","Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru","Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms","Organometallics","2015","34","1","56","","10.1021/om500814g","","","0.71075","MoKα","","","0.0439","","","","0.1343","","","","","","1.044","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085082","8.4644","0.0004","13.9975","0.0005","8.5546","0.0004","90","","114.26","0.003","90","","924.05","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 N Y -","- C19 H32 N Y -","- C38 H64 N2 Y2 -","2","1","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0416","0.0395","","","0.0918","0.0928","","","","","","1.154","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085083","8.4569","0.0008","13.9798","0.0013","8.5604","0.0008","90","","114.331","0.007","90","","922.17","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 Ho N -","- C19 H32 Ho N -","- C38 H64 Ho2 N2 -","2","1","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0304","0.0284","","","0.0667","0.0677","","","","","","1.052","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085084","8.4482","0.0009","13.9076","0.001","8.5517","0.0009","90","","114.482","0.008","90","","914.44","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 Lu N -","- C19 H32 Lu N -","- C38 H64 Lu2 N2 -","2","1","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0198","0.0179","","","0.0394","0.0399","","","","","","1.051","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085105","11.5341","0.0003","16.1333","0.0003","12.3436","0.0003","90","","99.719","0.001","90","","2263.97","0.09","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H42 B Cl F4 O2 Os P2 -","- C49 H40 B Cl F4 O2 Os P2 -","- C98 H80 B2 Cl2 F8 O4 Os2 P4 -","2","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0622","0.0476","","","0.1117","0.1314","","","","","","1.085","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085112","10.681","0.001","11.782","0.001","16.324","0.001","90","","108.894","0.001","90","","1943.6","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H46 N O P2 S2 Sc Si2 -","- C35 H46 N O P2 S2 Sc Si2 -","- C70 H92 N2 O2 P4 S4 Sc2 Si4 -","2","1","","Fustier, Marie; Le Goff, Xavier-Frédéric; Lutz, Martin; Slootweg, J. Chris; Mézailles, Nicolas","Scandium Carbene Complexes: Synthesis of Mixed Alkyl, Amido, and Phosphido Derivatives","Organometallics","2015","34","1","63","","10.1021/om500868a","","","0.71069","MoKα","","0.0324","0.0297","","","0.0806","0.0832","","","","","","1.024","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085139","11.9317","0.0006","19.8245","0.0009","18.3093","0.001","90","","105.436","0.0014","90","","4174.7","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C93 H80 Au B F24 N4 -","- C93 H80 Au B F24 N4 -","- C186 H160 Au2 B2 F48 N8 -","2","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0255","0.024","","","0.054","0.0544","","","","","","1.009","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085156","12.8435","0.0004","11.481","0.0004","22.2751","0.0007","90","","93.43","0.003","90","","3278.72","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H56 Cr N2 Si2 -","- C32 H56 Cr N2 Si2 -","- C128 H224 Cr4 N8 Si8 -","4","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0413","0.0376","","","0.0843","0.0861","","","","","","1.035","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085182","10.0876","0.0006","16.3094","0.001","10.1794","0.0006","90","","114.794","0.001","90","","1520.37","0.16","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27.06 H43.17 O S Sc Si2 -","- C27.058 H43.174 O S Sc Si2 -","- C54.116 H86.348 O2 S2 Sc2 Si4 -","2","1","","Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei","Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene","Organometallics","2015","34","2","455","","10.1021/om500992v","","","0.71073","MoKα","","0.0548","0.0472","","","0.1037","0.1094","","","","","","1.017","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085297","10.032","0.005","19.823","0.009","19.438","0.009","90","","100.05","0.04","90","","3806","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","bromo((4-nitrophenyl)ethynyl)bis(triphenylphosphine)palladium","","- C44 H34 Br N O2 P2 Pd -","- C44 H34 Br N O2 P2 Pd -","- C176 H136 Br4 N4 O8 P8 Pd4 -","4","2","","Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir","Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4","Organometallics","2015","34","4","673","","10.1021/om501105w","","","0.71073","MoKα","","0.0876","0.0461","","","0.0687","0.0753","","","","","","0.81","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085319","14.2768","0.0004","12.3949","0.0003","17.6537","0.0012","90","","105.562","0.007","90","","3009.5","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63 H81 Cl N4 Pd2 -","- C63 H81 Cl N4 Pd2 -","- C126 H162 Cl2 N8 Pd4 -","2","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","1.54187","CuKα","","","0.0295","","","","0.0784","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085321","11.6276","0.0004","12.2928","0.0005","19.4757","0.0013","90","","100.534","0.007","90","","2736.9","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H79 Cl N4 O Pd2 -","- C58 H79 Cl N4 O Pd2 -","- C116 H158 Cl2 N8 O2 Pd4 -","2","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","x-ray","0.71075","MoKα","","0.0408","0.0388","","","0.0888","0.0899","","","","","","1.07","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085411","7.26228","0.00016","12.0198","0.0003","16.8199","0.0004","90","","90.642","0.002","90","","1468.14","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 Br N2 Ni -","- C15 H19 Br N2 Ni -","- C60 H76 Br4 N8 Ni4 -","4","2","","Włodarska, Agata; Kozioł, Andrzej; Dranka, Maciej; Gryff-Keller, Adam; Szczeciński, Przemysław; Jurkowski, Jakub; Pietrzykowski, Antoni","Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand","Organometallics","2015","34","3","577","","10.1021/om500939s","","x-ray","0.71073","MoKα","","0.0322","0.0281","","","0.0627","0.0649","","","","","","1.056","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085461","10.505","0.003","16.422","0.004","10.768","0.003","90","","111.171","0.014","90","","1732.2","0.8","173","2","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Fe N O3 P2 -","- C41 H33 Fe N O3 P2 -","- C82 H66 Fe2 N2 O6 P4 -","2","1","","Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.","Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides","Organometallics","2015","34","9","1619","","10.1021/om501152h","","x-ray","0.71073","MoKα","","0.0478","0.0376","","","0.0752","0.0795","","","","","","1.004","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085534","8.8029","0.0005","16.3249","0.0009","9.4998","0.0005","90","","99.664","0.005","90","","1345.81","0.13","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl2 N2 Zn -","- C30 H28 Cl2 N2 Zn -","- C60 H56 Cl4 N4 Zn2 -","2","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0338","0.0311","","","0.0806","0.0816","","","","","","1.03","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085611","8.271","0.003","19.028","0.006","9.753","0.0012","90","","102.38","0.02","90","","1499.2","0.8","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","2","","Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline","1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity","Organometallics","2005","24","1","1","3","10.1021/om0491286","","","0.71073","MoKα","","0.1372","0.0721","","0.1506","0.0739","0.0739","","","","","","1.1113","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085618","12.7016","0.0005","17.771","0.0006","14.4417","0.0005","90","","92.436","0.002","90","","3256.8","0.2","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H80 Hf2 N4 O2 P4 S2 Si2 -","- C64 H80 Hf2 N4 O2 P4 S2 Si2 -","- C128 H160 Hf4 N8 O4 P8 S4 Si4 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0471","0.0325","","","0.065","0.0893","","","","","","1.08","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085619","12.6988","0.0005","17.7746","0.0007","14.4923","0.0006","90","","92.501","0.002","90","","3268","0.2","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2 -","- C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2 -","- C129.8 H158.8 N8 O3.4 P8 S4 Si4 Zr4 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0439","0.0346","","","0.0856","0.1005","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085633","9.011","0.002","8.415","0.002","9.891","0.003","90","","113.5","0.006","90","","687.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0404","0.0328","","","0.074","0.0785","","","","","","1.087","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085660","8.251","0.0004","20.2395","0.001","10.1301","0.0005","90","","91.234","0.003","90","","1691.3","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H29 Br F3 O3 Re S3 -","- C36 H29 Br F3 O3 Re S3 -","- C72 H58 Br2 F6 O6 Re2 S6 -","2","1","","Kleinschmidt, Steffen; Schallenberg, David; Helmdach, Kai; Hinz, Alexander; Villinger, Alexander; Seidel, Wolfram W.","Spontaneous Formation of an η4-Ethylene Bis(carbene) Ligand by Alkyne Coupling at Rhenium(III)","Organometallics","2015","34","6","1091","","10.1021/acs.organomet.5b00030","","","0.71073","MoKα","","0.057","0.0389","","","0.0649","0.0707","","","","","","0.98","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085684","4.9655","0.0007","15.917","0.002","10.2142","0.0014","90","","102.764","0.002","90","","787.34","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl 2,3-diazido-4,6-O-benzylidene-2,3-dideoxy-alpha-D-mannopyranoside","(2S,3S,4R,5R,6R,9R)-3,4-diazido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-5-ol benzaldehyde 5,7-acetal","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C28 H32 N12 O8 -","2","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0396","0.0337","","","0.0724","0.0745","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085690","11.9435","0.0004","23.2329","0.0008","16.4422","0.0006","90","","105.978","0.001","90","","4386.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tris{[T-4-R]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-mannopyranoside)pentamethyl-pentahapto-cyclopentadienylrhodium(III)} bistetrafluoridoborate chloride water","","- C72 H107 B2 Cl4 F8 N6 O13 Rh3 -","- C72 H107 B2 Cl4 F8 N6 O13 Rh3 -","- C144 H214 B4 Cl8 F16 N12 O26 Rh6 -","2","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0501","0.0379","","","0.0761","0.0806","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4085695","9.798","0.002","21.07","0.004","18.387","0.004","90","","104.97","0.03","90","","3667.1","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H57 Sb Si9 -","- C19 H55.5 Sb Si9 -","- C76 H222 Sb4 Si36 -","4","2","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0861","0.0758","","","0.1446","0.1489","","","","","","1.157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085738","9.759","0.002","20.646","0.004","12.688","0.003","90","","111.04","0.03","90","","2386","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H75 Sb Si12 -","- C25 H75 Sb Si12 -","- C50 H150 Sb2 Si24 -","2","1","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.0498","0.0483","","","0.1205","0.1213","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085948","12.55173","0.00018","7.82999","0.00012","21.7095","0.0003","90","","101.108","0.0013","90","","2093.64","0.05","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 S Si -","- C25 H26 S Si -","- C100 H104 S4 Si4 -","4","2","","Rohde, Volker H. G.; Müller, Maria F.; Oestreich, Martin","Intramolecularly Sulfur-Stabilized Silicon Cations with Chiral Binaphthyl Backbones: Synthesis of Three Different Motifs and Their Application in Enantioselective Diels‒Alder Reactions","Organometallics","2015","34","13","3358","","10.1021/acs.organomet.5b00351","","x-ray","1.54184","CuKα","","0.033","0.0317","","","0.0852","0.0866","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085949","8.5421","0.0003","33.3539","0.0012","8.7758","0.0002","90","","99.854","0.003","90","","2463.45","0.14","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 S Si -","- C31 H28 S Si -","- C124 H112 S4 Si4 -","4","2","","Rohde, Volker H. G.; Müller, Maria F.; Oestreich, Martin","Intramolecularly Sulfur-Stabilized Silicon Cations with Chiral Binaphthyl Backbones: Synthesis of Three Different Motifs and Their Application in Enantioselective Diels‒Alder Reactions","Organometallics","2015","34","13","3358","","10.1021/acs.organomet.5b00351","","x-ray","1.54184","CuKα","","0.0867","0.0557","","","0.1141","0.1341","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085988","13.44","0.002","11.8565","0.0018","25.667","0.004","90","","91.928","0.002","90","","4087.8","1.1","140","1","140","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 Cl2 N2 O2 Ru S2 -","- C16 H28 Cl2 N2 O2 Ru S2 -","- C128 H224 Cl16 N16 O16 Ru8 S16 -","8","4","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0254","0.0231","","","0.0485","0.0495","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086107","11.4594","0.0019","19.728","0.003","14.237","0.002","90","","101.343","0.011","90","","3155.7","0.8","100","2","100","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C58 H61 Cl6 F6 N4 O4 P3 Pd -","- C58 H61 Cl6 F6 N4 O4 P3 Pd -","- C116 H122 Cl12 F12 N8 O8 P6 Pd2 -","2","1","","Bravo, Maritza J.; Ceder, Rosa M.; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè; Bayón, J. Carles; Peral, Daniel","Metal Complexes Containing Enantiopure Bis(diamidophosphite) Ligands in Asymmetric Allylic Substitution and Hydroformylation Reactions","Organometallics","2015","34","15","3799","","10.1021/acs.organomet.5b00457","","x-ray","0.7107","MoKα","","0.0806","0.0659","","","0.1702","0.1807","","","","","","1.06","","","","has coordinates,has disorder","154727","2020-10-21","18:00:00",""
"4086129","8.5238","0.0002","15.6989","0.0004","8.8409","0.0002","90","","112.525","0.001","90","","1092.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 O2 P Si -","- C26 H25 O2 P Si -","- C52 H50 O4 P2 Si2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0504","0.0394","","","0.084","0.0884","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086237","7.7804","0.0009","13.8228","0.0015","16.0974","0.0017","90","","92.043","0.002","90","","1730.1","0.3","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 F Fe N O -","- C21 H20 F Fe N O -","- C84 H80 F4 Fe4 N4 O4 -","4","2","","Gao, De-Wei; Zheng, Chao; Gu, Qing; You, Shu-Li","Pd-Catalyzed Highly Enantioselective Synthesis of Planar Chiral Ferrocenylpyridine Derivatives","Organometallics","2015","34","18","4618","","10.1021/acs.organomet.5b00730","","","0.71073","MoKα","","0.0565","0.0375","","","0.0818","0.0874","","","","","","0.996","","","","has coordinates","160557","2020-10-21","18:00:00",""
"4086256","9.56244","0.00016","17.22","0.0003","10.7458","0.0002","90","","95.6935","0.0015","90","","1760.73","0.05","122.98","0.17","122.98","0.17","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H52 Cl2 N3 O3 P Pd -","- C32 H52 Cl2 N3 O3 P Pd -","- C64 H104 Cl4 N6 O6 P2 Pd2 -","2","1","","Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver","Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2015","34","18","4515","","10.1021/acs.organomet.5b00516","","","1.54184","CuKα","","0.043","0.0396","","","0.0983","0.1008","","","","","","1.012","","","","has coordinates","160426","2020-10-21","18:00:00",""
"4086285","10.356","0.003","15.454","0.004","11.602","0.003","90","","101.012","0.009","90","","1822.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C37 H48 Fe N2 O3 Si2 -","- C37 H48 Fe N2 O3 Si2 -","- C74 H96 Fe2 N4 O6 Si4 -","2","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0939","0.0656","","","0.1438","0.1611","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086313","10.107","","11.569","","12.791","","90","","90.38","","90","","1495.59","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Os7 (C O)19 (S)","","- C19 O19 Os7 S -","- C19 O19 Os7 S -","- C38 O38 Os14 S2 -","2","1","","Adams, R.D.; Foust, D.F.; Mathur, P.","Cluster Synthesis. 3. The Role of Sulfido Ligands in the Synthesis of High Nuclearity Metal Carbonyl Cluster Compounds. The Crystal and Molecular Structures of Os4 (C O)12 (mue 3-S) and Os7 (C O)19 (mue 4-S)","Organometallics","1983","2","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086360","6.6239","0.0005","12.6714","0.0008","7.725","0.0007","90","","106.865","0.008","90","","620.5","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Titanium boron nitride","","","- C7 H13 B Cl3 N Ti -","- C7 H13 B Cl3 N Ti -","- C14 H26 B2 Cl6 N2 Ti2 -","2","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.1569","0.0875","","","0.1986","0.2451","","","","","","1.03","","","","has coordinates","175812","2020-10-21","18:00:00",""
"4086401","9.7702","0.0005","11.7884","0.0006","11.7937","0.0006","90","","91.0496","0.0016","90","","1358.11","0.12","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl Ir N O6 P -","- C24 H40 Cl Ir N O6 P -","- C48 H80 Cl2 Ir2 N2 O12 P2 -","2","1","","Grajeda, Javier; Kita, Matthew R.; Gregor, Lauren C.; White, Peter S.; Miller, Alexander J. M.","Diverse Cation-Promoted Reactivity of Iridium Carbonyl Pincer-Crown Ether Complexes","Organometallics","2016","35","","306","316","10.1021/acs.organomet.5b00786","","","1.54178","CuKα","","0.0181","0.0181","","","0.0473","0.0474","","","","","","1.157","","","","has coordinates","176444","2020-10-21","18:00:00",""
"4086429","12.167","0.007","10.002","0.005","12.546","0.007","90","","110.017","0.014","90","","1434.5","1.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 Cl6 N2 O Ti -","- C26 H28 Cl6 N2 O Ti -","- C52 H56 Cl12 N4 O2 Ti2 -","2","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Active O,Npy,N-Titanium(IV) Fluoride Precatalysts for Ethylene Polymerization: Exploring “Fluoride Effects” on Polymer Properties and Catalytic Performance","Organometallics","2016","35","9","1183","","10.1021/acs.organomet.5b00900","","","0.71073","MoKα","","0.2506","0.0786","","","0.1196","0.1729","","","","","","0.66","","","","has coordinates","183606","2020-10-21","18:00:00",""
"4086477","7.6777","0.0006","10.0784","0.0006","14.2577","0.0013","90","","105.261","0.009","90","","1064.34","0.15","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Fe2 N2 O6 -","- C26 H20 Fe2 N2 O6 -","- C52 H40 Fe4 N4 O12 -","2","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0736","0.0545","","","0.1061","0.1164","","","","","","0.999","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086638","11.832","0.003","18.486","0.006","12.634","0.003","90","","117.665","0.008","90","","2447.5","1.2","173","2","173","2","","","","","","","dichloromethane, hexane","7","P 1 21 1","P 2yb","4","","","","- C53 H46 Ag F3 N2 O3 S5 -","- C53 H46 Ag F3 N2 O3 S5 -","- C106 H92 Ag2 F6 N4 O6 S10 -","2","1","","Morosaki, Tomohito; Suzuki, Tsubasa; Fujii, Takayoshi","Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear Silver Carbone Complexes","Organometallics","2016","35","16","2715","","10.1021/acs.organomet.6b00452","","","0.71075","MoKα","","0.0301","0.0276","","","0.0575","0.0594","","","","","","1.046","","","","has coordinates","186261","2020-10-21","18:00:00",""
"4086671","11.2659","0.0008","18.6424","0.0013","11.7104","0.0009","90","","94.445","0.001","90","","2452.1","0.3","140","2","140","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H48 F3 Ir N O5 P S -","- C54 H48 F3 Ir N O5 P S -","- C108 H96 F6 Ir2 N2 O10 P2 S2 -","2","1","","Zhang, Xiao; Liu, Wen-Bo; Cheng, Qiang; You, Shu-Li","Iridium-Catalyzed Asymmetric Allylic Amination Reactions withN-Aryl Phosphoramidite Ligands","Organometallics","2016","35","15","2467","","10.1021/acs.organomet.6b00339","","","0.71073","MoKα","","0.0448","0.0401","","","0.111","0.114","","","","","","1.068","","","","has coordinates,has disorder","186231","2020-10-21","18:00:00",""
"4086710","10.0219","0.0004","12.0236","0.0005","16.5337","0.0006","90","","91.5628","0.0005","90","","1991.56","0.14","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H63 Cl Fe Ni P2 -","- C43 H63 Cl Fe Ni P2 -","- C86 H126 Cl2 Fe2 Ni2 P4 -","2","1","","Clark, Jillian S. K.; Lavoie, Christopher M.; MacQueen, Preston M.; Ferguson, Michael J.; Stradiotto, Mark","A Comparative Reactivity Survey of Some Prominent Bisphosphine Nickel(II) Precatalysts in C‒N Cross-Coupling","Organometallics","2016","35","18","3248","","10.1021/acs.organomet.6b00650","","","0.71073","MoKα","","0.0378","0.032","","","0.0682","0.0712","","","","","","1.007","","","","has coordinates","186937","2020-10-21","18:00:00",""
"4086722","9.37","0.0007","9.0598","0.0006","12.5313","0.0008","90","","100.684","0.002","90","","1045.34","0.12","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 Mg O2 -","- C22 H30 Mg O2 -","- C44 H60 Mg2 O4 -","2","1","","Sandoval, John J.; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan; Rodríguez-Delgado, Antonio","Mechanism of Alkyl Migration in Diorganomagnesium 2,6-Bis(imino)pyridine Complexes: Formation of Grignard-Type Complexes with Square-Planar Mg(II) Centers","Organometallics","2016","35","18","3197","","10.1021/acs.organomet.6b00528","","","0.71073","MoKα","","0.0814","0.0624","","","0.1747","0.2081","","","","","","1.087","","","","has coordinates,has disorder","186942","2020-10-21","18:00:00",""
"4086799","14.8611","0.0004","13.471","0.0002","15.9249","0.0004","90","","93.81","0.001","90","","3181.02","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H58 Mg2 O4 -","- C29 H58 Mg2 O4 -","- C116 H232 Mg8 O16 -","4","2","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0766","0.0536","","","0.1118","0.124","","","","","","1.067","","","","has coordinates,has disorder","188901","2020-10-21","18:00:00",""
"4086820","13.1452","0.0007","15.6184","0.0009","15.2093","0.0007","90","","93.025","0.002","90","","3118.2","0.3","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","(k2-F3CSO3BH3)-Mn(CO)2(CNArDipp2)2","","","- C65 H77 B F3 Mn N2 O5 S -","- C65 H77 B F3 Mn N2 O5 S -","- C130 H154 B2 F6 Mn2 N4 O10 S2 -","2","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.0587","0.0447","","","0.0794","0.0841","","","","","","1.022","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086841","11.3415","0.0005","8.9764","0.0004","11.523","0.0005","90","","115.552","0.002","90","","1058.37","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 N O2 W -","- C21 H35 N O2 W -","- C42 H70 N2 O4 W2 -","2","1","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0187","0.0177","","","0.0439","0.0446","","","","","","1.051","","","","has coordinates","189670","2020-10-21","18:00:00",""
"4086857","12.50202","0.0002","31.8127","0.0005","17.2528","0.0003","90","","99.2266","0.0017","90","","6773.06","0.19","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H97 Ag2 B F4 N4 O2 -","- C70 H97 Ag2 B F4 N4 O2 -","- C280 H388 Ag8 B4 F16 N16 O8 -","4","2","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","","0.71073","MoKα","","0.0638","0.051","","","0.1058","0.1117","","","","","","1.026","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4086980","14.656","0.003","9.9791","0.0015","15.223","0.003","90","","109.024","0.002","90","","2104.8","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H37 B F3 N7 O4 S -","- C46 H37 B F3 N7 O4 S -","- C92 H74 B2 F6 N14 O8 S2 -","2","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.049","0.0461","","","0.1074","0.11","","","","","","1.048","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4087017","11.4524","0.0006","21.4998","0.0012","11.8603","0.0007","90","","112.366","0.002","90","","2700.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H100 Mg2 N8 O4 -","- C48 H100 Mg2 N8 O4 -","- C96 H200 Mg4 N16 O8 -","2","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.0815","0.0549","","","0.1149","0.1272","","","","","","1.02","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087098","11.8512","0.001","20.3693","0.0018","12.3394","0.0011","90","","101.05","0.0018","90","","2923.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H103 N O2 Si Ti -","- C66 H103 N O2 Si Ti -","- C132 H206 N2 O4 Si2 Ti2 -","2","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0395","0.0347","","","0.0875","0.0899","","","","","","1.084","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087178","18.7455","0.0018","15.5711","0.0013","20.763","0.0019","90","","101.865","0.003","90","","5931","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H73 B6 Br6 N -","- C58 H73 B6 Br6 N -","- C232 H292 B24 Br24 N4 -","4","2","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Jung, Dahee; Dziedzic, Rafal M.; Rheingold, Arnold L.; Spokoyny, Alexander M.","Metal-Free Peralkylation of the closo-Hexaborate Anion","Organometallics","2017","36","6","1204","","10.1021/acs.organomet.7b00078","","","1.54178","CuKα","","0.038","0.0335","","","0.0787","0.0814","","","","","","1.054","","","","has coordinates","194872","2020-10-21","18:00:00",""
"4087179","9.7868","0.0003","32.1401","0.0008","18.1648","0.0006","90","","104.664","0.001","90","","5527.6","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H72 B Li Ni O8 P2 -","- C56 H72 B Li Ni O8 P2 -","- C224 H288 B4 Li4 Ni4 O32 P8 -","4","2","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","0.71073","MoKα","","0.036","0.0316","","","0.0704","0.0726","","","","","","1.043","","","","has coordinates","194873","2020-10-21","18:00:00",""
"4087273","7.5753","0.00009","12.1883","0.0002","17.3804","0.0002","90","","96.031","0.001","90","","1595.85","0.04","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H34 B F5 N6 O3 S -","- C32 H34 B F5 N6 O3 S -","- C64 H68 B2 F10 N12 O6 S2 -","2","1","","Navarro, Miquel; Wang, Suxiao; Müller-Bunz, Helge; Redmond, Gareth; Farràs, Pau; Albrecht, Martin","Triazolylidene Metal Complexes Tagged with a Bodipy Chromophore: Synthesis and Monitoring of Ligand Exchange Reactions","Organometallics","2017","36","8","1469","","10.1021/acs.organomet.6b00672","","","0.71073","MoKα","","0.0372","0.0347","","","0.0858","0.0878","","","","","","1.03","","","","has coordinates","196040","2020-10-21","18:00:00",""
"4087327","14.2787","0.0007","10.5264","0.0005","21.8552","0.001","90","","105.417","0.007","90","","3166.7","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br Mn O2 P -","- C23 H19 Br Mn O2 P -","- C138 H114 Br6 Mn6 O12 P6 -","6","3","","Ogasawara, Masamichi; Tseng, Ya-Yi; Liu, Qiang; Chang, Ninghui; Yang, Xicheng; Takahashi, Tamotsu; Kamikawa, Ken","Kinetic Resolution of Planar-Chiral (η5-Bromocyclopentadienyl)manganese(I) Complexes by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis","Organometallics","2017","36","7","1430","","10.1021/acs.organomet.7b00125","","","0.71075","MoKα","","0.0438","0.0293","","","0.0521","0.0551","","","","","","0.978","","","","has coordinates","196054","2020-10-21","18:00:00",""
"4087347","12.2918","0.0005","5.908","0.0003","15.9551","0.0007","90","","108.368","0.002","90","","1099.63","0.09","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","DFP","","","- C20 H25 O3 P Si2 -","- C20 H25 O3 P Si2 -","- C40 H50 O6 P2 Si4 -","2","1","","Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.","Bridged Difurans: Stabilizing Furan with p-Block Elements","Organometallics","2017","36","14","2565","","10.1021/acs.organomet.7b00135","","","0.71073","MoKα","","0.0431","0.0357","","","0.0799","0.0841","","","","","","1.033","","","","has coordinates","201701","2020-10-21","18:00:00",""
"4087364","10.4144","0.0008","9.7734","0.0007","13.5146","0.0011","90","","109.075","0.004","90","","1300.04","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H29 Cl2 P Ru Si -","- C28 H29 Cl2 P Ru Si -","- C56 H58 Cl4 P2 Ru2 Si2 -","2","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0605","0.0445","","","0.0926","0.1029","","","","","","1.036","","","","has coordinates","276352","2022-06-28","16:40:33",""
"4087367","12.904","0.002","6.7856","0.0008","17.535","0.003","90","","111.428","0.006","90","","1429.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl2 O2 P Ru -","- C33 H29 Cl2 O2 P Ru -","- C66 H58 Cl4 O4 P2 Ru2 -","2","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0775","0.0464","","","0.0628","0.0698","","","","","","0.987","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087399","10.1525","0.0005","15.9444","0.0007","10.9061","0.0005","90","","110.67","0.005","90","","1651.79","0.14","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H45 F3 N2 Ni O2 P2 S -","- C30 H45 F3 N2 Ni O2 P2 S -","- C60 H90 F6 N4 Ni2 O4 P4 S2 -","2","1","","Boulens, Pierre; Pellier, Emmanuel; Jeanneau, Erwann; Reek, Joost N. H.; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Self-Assembled Organometallic Nickel Complexes as Catalysts for Selective Dimerization of Ethylene into 1-Butene","Organometallics","2015","34","7","1139","","10.1021/acs.organomet.5b00055","","","0.7107","MoKα","","0.0835","0.0695","","0.1157","0.1057","0.1157","","","","","","0.9904","","","","has coordinates","236774","2020-10-21","18:00:00",""
"4087414","7.8079","0.0005","16.5318","0.001","10.5919","0.0007","90","","91.8926","0.0018","90","","1366.44","0.15","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Au O4 P S -","- C30 H26 Au O4 P S -","- C60 H52 Au2 O8 P2 S2 -","2","1","","Kuniyasu, Hitoshi; Nakajima, Takuya; Tamaki, Takashi; Iwasaki, Takanori; Kambe, Nobuaki","Regioselective Cis Insertion of DMAD into Au‒P Bonds: Effect of Auxiliary Ligands on the Reaction Mechanism","Organometallics","2015","34","7","1373","","10.1021/acs.organomet.5b00078","","","0.71075","MoKα","","","0.0721","","","","0.167","","","","","","1.125","","","","has coordinates","236786","2020-10-21","18:00:00",""
"4087441","8.7327","0.0007","14.0772","0.0009","15.9215","0.0011","90","","100.779","0.004","90","","1922.7","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 Cl2 Fe2 S3 -","- C14 H23 Cl2 Fe2 S3 -","- C56 H92 Cl8 Fe8 S12 -","4","2","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0594","0.0487","","","0.1242","0.1332","","","","","","1","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4087447","9.3721","0.0008","16.0243","0.0014","20.1099","0.0018","90","","92.12","0.003","90","","3018.1","0.5","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H37 N2 O4 P Pd -","- C34 H37 N2 O4 P Pd -","- C136 H148 N8 O16 P4 Pd4 -","4","2","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0911","0.0618","","","0.1349","0.1719","","","","","","1.042","","","","has coordinates","236802","2020-10-21","18:00:00",""
"4087448","10.0983","0.0003","19.6982","0.0005","14.5659","0.0004","90","","103.688","0.0012","90","","2815.13","0.14","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl O8.5 P2 Pd -","- C66 H56 Cl O8.5 P2 Pd -","- C132 H112 Cl2 O17 P4 Pd2 -","2","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0501","0.0399","","","0.0748","0.0797","","","","","","1.015","","","","has coordinates","236803","2020-10-21","18:00:00",""
"4087449","17.9347","0.0017","9.6113","0.0008","23.039","0.002","90","","91.492","0.004","90","","3970","0.6","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H38 Cl F O2 P2 Pd -","- C48 H38 Cl F O2 P2 Pd -","- C192 H152 Cl4 F4 O8 P8 Pd4 -","4","2","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0488","0.0366","","","0.0736","0.0802","","","","","","1.032","","","","has coordinates","236804","2020-10-21","18:00:00",""
"4087496","17.9034","0.0005","10.1304","0.0003","18.8525","0.0005","90","","90.6059","0.0009","90","","3419.06","0.17","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H49 Cl2 N2 O1.5 Ru -","- C34 H49 Cl2 N2 O1.5 Ru -","- C136 H196 Cl8 N8 O6 Ru4 -","4","2","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","1.54178","CuKα","","0.0263","0.0255","","","0.06","0.0603","","","","","","1.122","","","","has coordinates","236821","2020-10-21","18:00:00",""
"4087550","7.8233","0.0006","30.142","0.002","12.173","0.0009","90","","91.384","0.003","90","","2869.7","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H36 F3 N Ni O6 P2 S -","- C22 H36 F3 N Ni O6 P2 S -","- C88 H144 F12 N4 Ni4 O24 P8 S4 -","4","2","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0255","0.0253","","","0.0677","0.0678","","","","","","1.062","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087653","12.9232","0.0014","12.8165","0.0014","14.9805","0.0017","90","","102.845","0.001","90","","2419.1","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Er N4 O Si -","- C50 H65 Er N4 O Si -","- C100 H130 Er2 N8 O2 Si2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0357","0.0263","","","0.0518","0.0554","","","","","","1.036","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087654","12.9165","0.0012","12.8136","0.0012","14.9475","0.0013","90","","102.725","0.001","90","","2413.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 N4 O Si Yb -","- C50 H65 N4 O Si Yb -","- C100 H130 N8 O2 Si2 Yb2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.034","0.0276","","","0.0603","0.0632","","","","","","1.044","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087655","12.9486","0.0009","12.8192","0.0009","15.0317","0.0011","90","","103.153","0.001","90","","2429.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Gd N4 O Si -","- C50 H65 Gd N4 O Si -","- C100 H130 Gd2 N8 O2 Si2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0337","0.0257","","","0.0517","0.0545","","","","","","1.038","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087656","12.9366","0.0008","12.8062","0.0008","14.9936","0.0009","90","","103.015","0.001","90","","2420.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Dy N4 O Si -","- C50 H65 Dy N4 O Si -","- C100 H130 Dy2 N8 O2 Si2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0706","0.0397","","","0.0548","0.0611","","","","","","1.045","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087688","5.778","0.003","27.701","0.019","12.417","0.009","90","","100.311","0.017","90","","1955","2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20.5 Cl3 P0.5 Ru1.5 -","- C19 H20.5 Cl3 P0.5 Ru1.5 -","- C76 H82 Cl12 P2 Ru6 -","4","2","","Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.","Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines","Organometallics","2015","34","17","4272","","10.1021/acs.organomet.5b00496","","","0.71073","MoKα","","0.0625","0.0453","","","0.0847","0.0909","","","","","","1.06","","","","has coordinates,has disorder","236922","2020-10-21","18:00:00",""
"4087697","11.571","0.002","14.669","0.003","12.083","0.002","90","","115.56","0.03","90","","1850.2","0.7","110.15","","110.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H50 Cl3 D F6 O4 P2 Pd -","- C29 H50 Cl3 D F6 O4 P2 Pd -","- C58 H100 Cl6 D2 F12 O8 P4 Pd2 -","2","1","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.71073","MoKα","","0.0297","0.0293","","","0.0643","0.0645","","","","","","1.149","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087700","11.779","0.002","15.373","0.002","12.107","0.002","90","","118.184","0.002","90","","1932.4","0.5","110.15","","110.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 F6 O4 P2 Pd -","- C38 H52 F6 O4 P2 Pd -","- C76 H104 F12 O8 P4 Pd2 -","2","1","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.7107","MoKα","","0.0375","0.0364","","","0.0791","0.0801","","","","","","1.073","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087725","9.8528","0.0009","18.6413","0.0016","15.5813","0.0014","90","","106.827","0.002","90","","2739.3","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(dba)(FcPPP)]","brad30","","- C62 H57 Cl2 Fe O P3 Pd -","- C62 H57 Cl2 Fe O P3 Pd -","- C124 H114 Cl4 Fe2 O2 P6 Pd2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands","Organometallics","2015","34","16","4093","","10.1021/acs.organomet.5b00539","","","0.71073","MoKα","","0.0543","0.043","","","0.1081","0.1182","","","","","","1.084","","","","has coordinates,has disorder","236944","2020-10-21","18:00:00",""
"4087747","8.6112","0.0007","17.8635","0.0016","8.8154","0.0011","90","","99.464","0.004","90","","1337.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H39 N P2 Pd -","- C29 H39 N P2 Pd -","- C58 H78 N2 P4 Pd2 -","2","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.1325","0.0639","","","0.1107","0.1348","","","","","","0.885","","","","has coordinates","236975","2020-10-21","18:00:00",""
"4087755","9.7441","0.0009","14.7302","0.0014","10.2714","0.0009","90","","113.297","0.0017","90","","1354.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","NiCl3dppb","","","- C30 H24 Cl3 Ni P2 -","- C30 H24 Cl3 Ni P2 -","- C60 H48 Cl6 Ni2 P4 -","2","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","0.71073","MoKα","","0.0784","0.0525","","","0.0861","0.0931","","","","","","0.983","","","","has coordinates","236987","2020-10-21","18:00:00",""
"4087758","13.0802","0.0011","8.5935","0.0007","13.7616","0.0012","90","","97.517","0.0014","90","","1533.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","NiBr2dppe","","","- C28 H28 Br2 Cl4 Ni P2 -","- C28 H28 Br2 Cl4 Ni P2 -","- C56 H56 Br4 Cl8 Ni2 P4 -","2","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","0.71073","MoKα","","0.0465","0.0397","","","0.096","0.0996","","","","","","1.051","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4087763","8.9198","0.0003","12.7426","0.0005","17.1748","0.0006","90","","101.153","0.002","90","","1915.25","0.12","115","","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 O P S -","- C22 H23 O P S -","- C88 H92 O4 P4 S4 -","4","2","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0747","0.0482","","","0.0965","0.1063","","","","","","1.025","","","","has coordinates,has disorder","236994","2020-10-21","18:00:00",""
"4087764","11.7254","0.0005","7.1457","0.0003","14.1714","0.0006","90","","113.567","0.002","90","","1088.33","0.08","115","","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 O P S -","- C24 H27 O P S -","- C48 H54 O2 P2 S2 -","2","1","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0464","0.0325","","","0.0691","0.0751","","","","","","1.045","","","","has coordinates","236994","2020-10-21","18:00:00",""
"4087765","11.404","0.0006","10.3436","0.0004","12.794","0.0006","90","","112.745","0.002","90","","1391.8","0.11","115","","115","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl4 O P Pd S -","- C27 H25 Cl4 O P Pd S -","- C54 H50 Cl8 O2 P2 Pd2 S2 -","2","1","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0499","0.0394","","","0.097","0.1036","","","","","","1.043","","","","has coordinates,has disorder","236994","2020-10-21","18:00:00",""
"4087799","12.2125","0.0003","16.1022","0.0003","12.5748","0.0002","90","","97.0732","0.0019","90","","2453.99","0.09","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H71 N3 P Si6 Y -","- C37 H71 N3 P Si6 Y -","- C74 H142 N6 P2 Si12 Y2 -","2","1","","Nako, Adi E.; Chen, Wenyi; White, Andrew J. P.; Crimmin, Mark R.","Yttrium-Catalyzed Amine‒Silane Dehydrocoupling: Extended Reaction Scope with a Phosphorus-Based Ligand","Organometallics","2015","34","17","4369","","10.1021/acs.organomet.5b00607","","","0.71073","MoKα","","0.0486","0.0367","","","0.0746","0.0792","","","","","","1.022","","","","has coordinates,has disorder","237010","2020-10-21","18:00:00",""
"4087802","9.31342","0.00013","20.6214","0.0002","13.0284","0.00018","90","","110.859","0.0016","90","","2338.18","0.06","109.95","0.1","109.95","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O4 Pd2 -","- C22 H30 N2 O4 Pd2 -","- C88 H120 N8 O16 Pd8 -","4","2","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.71073","MoKα","","0.0499","0.0442","","","0.0868","0.0891","","","","","","1.228","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087804","8.34276","0.00013","14.9448","0.0002","9.77429","0.00016","90","","106.005","0.0017","90","","1171.43","0.03","110","0.1","110","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 F2 N2 O4 Pd2 -","- C22 H28 F2 N2 O4 Pd2 -","- C44 H56 F4 N4 O8 Pd4 -","2","1","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.7107","MoKα","","0.0293","0.0267","","","0.0501","0.052","","","","","","1.037","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087840","10.1912","0.0007","23.0093","0.0015","12","0.0008","90","","110.805","0.0011","90","","2630.4","0.3","113","","113","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl Ir N6 O P2 -","- C25 H24 Cl Ir N6 O P2 -","- C100 H96 Cl4 Ir4 N24 O4 P8 -","4","2","","Tahara, Atsushi; Miyamoto, Yasumitsu; Aoto, Ryuta; Shigeta, Keisuke; Une, Yuta; Sunada, Yusuke; Motoyama, Yukihiro; Nagashima, Hideo","Catalyst Design of Vaska-Type Iridium Complexes for Highly Efficient Synthesis of π-Conjugated Enamines","Organometallics","2015","34","20","4895","","10.1021/acs.organomet.5b00636","","","0.71075","MoKα","","0.0557","0.0554","","","0.1344","0.135","","","","","","1.359","","","","has coordinates","237042","2020-10-21","18:00:00",""
"4087890","9.4029","0.0004","11.0824","0.0005","17.4783","0.0008","90","","91.226","0.003","90","","1820.94","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H19 Cl2 O P Pt S -","- C16 H19 Cl2 O P Pt S -","- C64 H76 Cl8 O4 P4 Pt4 S4 -","4","2","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0221","0.0199","","","0.0482","0.0488","","","","","","1.016","","","","has coordinates","237091","2020-10-21","18:00:00",""
"4087900","9.2403","0.0007","28.012","0.002","14.0756","0.001","90","","96.217","0.003","90","","3621.9","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H116 O8 P6 Pd2 -","- C62 H116 O8 P6 Pd2 -","- C124 H232 O16 P12 Pd4 -","2","1","","Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates","Organometallics","2015","34","20","5095","","10.1021/acs.organomet.5b00687","","","0.71073","MoKα","","0.0372","0.0315","","","0.0736","0.0825","","","","","","1.089","","","","has coordinates,has disorder","237101","2020-10-21","18:00:00",""
"4087901","12.5595","0.0012","5.6421","0.0006","16.5825","0.0016","90","","102.499","0.007","90","","1147.2","0.2","296","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 O2 P -","- C25 H31 O2 P -","- C50 H62 O4 P2 -","2","1","","Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates","Organometallics","2015","34","20","5095","","10.1021/acs.organomet.5b00687","","","0.71073","MoKα","","0.0652","0.0439","","","0.0916","0.1061","","","","","","1.053","","","","has coordinates","237102","2020-10-21","18:00:00",""
"4088021","9.6422","0.0006","15.7842","0.001","9.7038","0.0006","90","","116.749","0.0011","90","","1318.82","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 F6 Ni P2 -","- C29 H24 F6 Ni P2 -","- C58 H48 F12 Ni2 P4 -","2","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene","Organometallics","2015","34","24","5683","","10.1021/acs.organomet.5b00808","","","0.71073","MoKα","","0.0209","0.0201","","","0.0493","0.0496","","","","","","1.008","","","","has coordinates","237218","2020-10-21","18:00:00",""
"4088026","12.5901","0.0002","14.1532","0.0002","21.0991","0.0004","90","","106.791","0.002","90","","3599.36","0.11","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65 H66 B3 Cl4 F12 N6 P2 Rh -","- C64 H64 B3 Cl2 F12 N6 P2 Rh -","- C128 H128 B6 Cl4 F24 N12 P4 Rh2 -","2","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","0.71073","MoKα","","0.0545","0.0485","","","0.1204","0.1256","","","","","","1.042","","","","has coordinates","237222","2020-10-21","18:00:00",""
"4088056","8.5679","0.0003","10.9211","0.0002","9.1349","0.0003","90","","111.803","0.004","90","","793.62","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 Cl N2 -","- C15 H25 Cl N2 -","- C30 H50 Cl2 N4 -","2","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0368","0.0323","","","0.0815","0.0864","","","","","","1.041","","","","has coordinates","237235","2020-10-21","18:00:00",""
"4088058","15.7485","0.0005","19.2429","0.0005","16.0089","0.0004","90","","90.412","0.003","90","","4851.3","0.2","151","2","151","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C83 H136 Ag4 Cl4 Ge4 N8 -","- C83 H136 Ag4 Cl4 Ge4 N8 -","- C166 H272 Ag8 Cl8 Ge8 N16 -","2","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.1202","0.1129","","","0.3664","0.3753","","","","","","1.183","","","","has coordinates,has disorder","237235","2020-10-21","18:00:00",""
"4088128","7.838","0.001","14.515","0.002","10.514","0.002","90","","107.603","0.004","90","","1140.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl N3 O2 Ru S -","- C23 H26 Cl N3 O2 Ru S -","- C46 H52 Cl2 N6 O4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan","Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands","Organometallics","2015","34","24","5775","","10.1021/acs.organomet.5b00871","","","0.71073","MoKα","","0.0359","0.0299","","","0.0653","0.0688","","","","","","1.098","","","","has coordinates","237300","2020-10-21","18:00:00",""
"4088130","7.973","0.004","22.52","0.011","9.158","0.004","90","","103.451","0.008","90","","1599.2","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl3 N3 O2 Ru S -","- C32 H36 Cl3 N3 O2 Ru S -","- C64 H72 Cl6 N6 O4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan","Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands","Organometallics","2015","34","24","5775","","10.1021/acs.organomet.5b00871","","","0.71075","MoKα","","0.1716","0.0808","","","0.1212","0.1599","","","","","","1.065","","","","has coordinates","237300","2020-10-21","18:00:00",""
"4088169","12.4322","0.0004","16.8917","0.0006","18.3072","0.0007","90","","96.772","0.002","90","","3817.7","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41.2 H46.4 Cu F4 N3 O0.8 -","- C41.2 H46.4 Cu F4 N3 O0.8 -","- C164.8 H185.6 Cu4 F16 N12 O3.2 -","4","2","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0674","0.0487","","","","0.1367","","","","","","1.0518","","","","has coordinates","237328","2020-10-21","18:00:00",""
"4088284","3.8617","0.0002","14.2043","0.0009","11.0554","0.0007","90","","95.734","0.003","90","","603.38","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","","Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung","Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors","Organometallics","2016","35","2","288","","10.1021/acs.organomet.5b00988","","","0.71073","MoKα","","0.0627","0.0409","","","0.083","0.0923","","","","","","1.013","","","","has coordinates","237440","2020-10-21","18:00:00",""
"4088286","12.6765","0.0011","18.1773","0.0016","12.9092","0.0011","90","","101.31","0.002","90","","2916.8","0.4","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H52 B F24 Ir N O P -","- C58 H52 B F24 Ir N O P -","- C116 H104 B2 F48 Ir2 N2 O2 P2 -","2","1","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","1.54178","CuKα","","0.0217","0.0216","","0.025","0.0249","0.0247","","","","","","1.0896","","","","has coordinates","237441","2020-10-21","18:00:00",""
"4088287","19.0819","0.001","21.6012","0.0012","19.6684","0.0011","90","","116.033","0.003","90","","7284.6","0.7","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H65 B F24 Ir N5 O -","- C74 H65 B F24 Ir N5 O -","- C296 H260 B4 F96 Ir4 N20 O4 -","4","2","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","1.54178","CuKα","","0.0386","0.0345","","0.0444","0.0391","0.0387","","","","","","1.116","","","","has coordinates,has disorder","237441","2020-10-21","18:00:00",""
"4088288","19.19","0.0013","17.4078","0.0013","19.1973","0.0014","90","","97.878","0.004","90","","6352.4","0.8","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C62 H52 B F24 Ir N3 O P -","- C62 H52 B F24 Ir N3 O P -","- C248 H208 B4 F96 Ir4 N12 O4 P4 -","4","2","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","0.71073","MoKα","","0.0783","0.0528","","0.0667","0.0488","0.0447","","","","","","1.1246","","","","has coordinates,has disorder","237441","2020-10-21","18:00:00",""
"4088307","8.8352","0.0012","12.6874","0.0017","12.1513","0.0017","90","","109.329","0.003","90","","1285.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","DAC-BH3NMe3 (1NMe3)","","","- C27 H43 B N3 O2 -","- C27 H40 B N3 O2 -","- C54 H80 B2 N6 O4 -","2","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0335","0.0318","","","0.0807","0.0818","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088309","8.172","0.005","16.783","0.008","12.13","0.007","90","","100.44","0.02","90","","1636.1","1.6","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","DAC-9BBN (3)","","","- C38 H49 B N2 O2 -","- C38 H49 B N2 O2 -","- C76 H98 B2 N4 O4 -","2","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","1.54187","CuKα","","0.0639","0.0526","","","0.1457","0.1533","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088363","10.28","0.003","15.25","0.004","12.261","0.003","90","","105.961","0.005","90","","1848.1","0.9","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","11 in manuscript","","","- C34 H49 Cl4 N3 Pd -","- C34 H49 Cl4 N3 Pd -","- C68 H98 Cl8 N6 Pd2 -","2","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0973","0.077","","","0.1656","0.1752","","","","","","1.102","","","","has coordinates","237503","2020-10-21","18:00:00",""
"4088365","11.2485","0.0013","16.1658","0.0018","12.5996","0.0014","90","","90.103","0.002","90","","2291.1","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","18b in manuscript","","","- C22 H32 Au Cl N2 -","- C22 H32 Au Cl N2 -","- C88 H128 Au4 Cl4 N8 -","4","2","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0321","0.0292","","","0.0631","0.0643","","","","","","0.976","","","","has coordinates","237503","2020-10-21","18:00:00",""
"4088385","10.1175","0.0009","15.8118","0.0014","17.1337","0.0016","90","","105.032","0.002","90","","2647.2","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H80 B Fe N6 -","- C57 H80 B Fe N6 -","- C114 H160 B2 Fe2 N12 -","2","1","","Ouyang, Zhenwu; Meng, Yinshan; Cheng, Jun; Xiao, Jie; Gao, Song; Deng, Liang","Three- and Four-Coordinate Homoleptic Iron(I)‒NHC Complexes: Synthesis and Characterization","Organometallics","2016","35","10","1361","","10.1021/acs.organomet.6b00047","","","0.71073","MoKα","","0.0956","0.0754","","","0.1913","0.2101","","","","","","1.036","","","","has coordinates","237530","2020-10-21","18:00:00",""
"4088446","10.88422","0.0001","20.99784","0.00019","13.29748","0.00012","90","","107.913","0.0009","90","","2891.76","0.05","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H81 N2 Ni -","- C72 H81 N2 Ni -","- C144 H162 N4 Ni2 -","2","1","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.075","0.0753","","","","","","1.048","","","","has coordinates","237579","2020-10-21","18:00:00",""
"4088455","9.2148","0.0008","16.837","0.0014","17.8782","0.0015","90","","90.231","0.002","90","","2773.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H43 Na O3 Si -","- C28 H43 Na O3 Si -","- C112 H172 Na4 O12 Si4 -","4","2","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0697","0.0597","","","0.1581","0.1689","","","","","","1.081","","","","has coordinates,has disorder","237585","2020-10-21","18:00:00",""
"4088503","8.616","0.0017","8.9487","0.0016","15.58","0.003","90","","91.808","0.002","90","","1200.7","0.4","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 F6 Ir N2 Sb -","- C21 H30 F6 Ir N2 Sb -","- C42 H60 F12 Ir2 N4 Sb2 -","2","1","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.7107","MoKα","","","0.0312","","","","0.088","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088610","13.9235","0.0007","13.2104","0.0006","14.2661","0.0006","90","","102.038","0.0012","90","","2566.3","0.2","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H70 Cl4 N6 O2 Rh2 -","- C48 H70 Cl4 N6 O2 Rh2 -","- C96 H140 Cl8 N12 O4 Rh4 -","2","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71073","MoKα","","0.024","0.023","","","0.0567","0.0573","","","","","","1.06","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088613","9.367","0.004","10.864","0.004","12.295","0.005","90","","105.106","0.005","90","","1207.9","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N3 O4 Ru -","- C24 H30 N3 O4 Ru -","- C48 H60 N6 O8 Ru2 -","2","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71075","MoKα","","","0.0218","","","","0.0549","","","","","","1.029","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088641","9.0969","0.0002","7.333","0.0001","17.4165","0.0003","90","","93.957","0.001","90","","1159.04","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 B Fe2 Si -","- C28 H27 B Fe2 Si -","- C56 H54 B2 Fe4 Si2 -","2","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.026","0.025","","","0.062","0.062","","","","","","1.01","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088683","11.3802","0.0001","19.2215","0.0002","13.2547","0.0002","90","","103.283","0.0007","90","","2821.83","0.06","150","","150","","","","","","","","SYN","3","P 1 21 1","P 2yb","4","","","","- C15.5 H22 Zr -","- C15.5 H22 Zr -","- C124 H176 Zr8 -","8","4","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0532","0.0422","","0.102","0.0907","0.102","","","","","","0.8703","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088692","6.4166","0.0005","10.3935","0.0008","9.5956","0.0007","90","","100.278","0.001","90","","629.67","0.08","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H24 B9 N -","- C4 H24 B9 N -","- C8 H48 B18 N2 -","2","1","","Tanaka, Naoki; Shoji, Yoshiaki; Fukushima, Takanori","Convenient Route to Monocarba-closo-dodecaborate Anions","Organometallics","2016","35","11","2022","","10.1021/acs.organomet.6b00309","","","0.71073","MoKα","","0.0306","0.0301","","","0.085","0.0857","","","","","","1.084","","","","has coordinates","237770","2020-10-21","18:00:00",""
"4088713","11.0667","0.0014","7.8272","0.001","17.821","0.002","90","","100.684","0.002","90","","1516.9","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H47 Ir N P2 -","- C33 H47 Ir N P2 -","- C66 H94 Ir2 N2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0524","0.0395","","","0.0678","0.072","","","","","","1.055","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088730","10.469","0.0011","13.8325","0.0014","11.9952","0.0012","90","","100.723","0.0011","90","","1706.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","4BSe","","","- C28 H48 B4 O8 Se -","- C28 H48 B4 O8 Se -","- C56 H96 B8 O16 Se2 -","2","1","","Torres Delgado, William; Shahin, Fatemeh; Ferguson, Michael J.; McDonald, Robert; He, Gang; Rivard, Eric","Selective Placement of Bromide and Pinacolboronate Groups about a Tellurophene: New Building Blocks for Optoelectronic Applications","Organometallics","2016","35","12","2140","","10.1021/acs.organomet.6b00362","","","0.71073","MoKα","","0.0283","0.0264","","","0.0659","0.0668","","","","","","1.03","","","","has coordinates","237792","2020-10-21","18:00:00",""
"4088782","14.0777","0.001","28.066","0.002","17.2223","0.0012","90","","97.389","0.001","90","","6748.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C153 H159 O6 P7 Yb3 -","- C153.007 H159.007 O6 P7 Yb3 -","- C306.014 H318.014 O12 P14 Yb6 -","2","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.","Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2","Organometallics","2016","35","14","2401","","10.1021/acs.organomet.6b00428","","","0.71073","MoKα","","0.0694","0.0459","","","0.0948","0.106","","","","","","0.998","","","","has coordinates,has disorder","237828","2020-10-21","18:00:00",""
"4088868","11.5187","0.0015","11.8281","0.0014","18.265","0.002","90","","92.717","0.007","90","","2485.7","0.5","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C41 H49 F6 N13 O6 Ru S2 -","- C41 H49 F6 N13 O6 Ru S2 -","- C82 H98 F12 N26 O12 Ru2 S4 -","2","1","","Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E.","Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands","Organometallics","2016","35","17","2980","","10.1021/acs.organomet.6b00504","","x-ray","0.71073","MoKα","","0.0384","0.0336","","","0.0756","0.0778","","","","","","1.049","","","","has coordinates,has disorder","237864","2020-10-21","18:00:00",""
"4088882","16.5999","0.0004","11.5487","0.0002","28.9601","0.0007","90","","94.457","0.002","90","","5535.1","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H88 N5 Si2 Y -","- C55 H88 N5 Si2 Y -","- C220 H352 N20 Si8 Y4 -","4","2","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.088","0.052","","","0.0918","0.1037","","","","","","0.935","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088885","8.4967","0.0005","17.3514","0.0007","16.4202","0.0011","90","","102.371","0.005","90","","2364.6","0.2","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.5 H33 Cl N2 -","- C24.5 H33 Cl N2 -","- C98 H132 Cl4 N8 -","4","2","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0647","0.0485","","","0.0974","0.1031","","","","","","1.015","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4088914","8.0568","0.0005","14.4365","0.0008","24.0039","0.0016","90","","99.64","0.003","90","","2752.5","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.66667 H18.33333 Au Cl2.33333 F S -","- C17.6667 H18.3333 Au Cl2.33333 F S -","- C106 H110 Au6 Cl14 F6 S6 -","6","3","","Santschi, Nico; Thiehoff, Christian; Holland, Mareike C.; Daniliuc, Constantin G.; Houk, K. N.; Gilmour, Ryan","The Sulfur‒Fluorine Gauche Effect in Coinage-Metal Complexes: Augmenting Conformational Equilibria by Complexation","Organometallics","2016","35","17","3040","","10.1021/acs.organomet.6b00564","","","0.71073","MoKα","","0.0502","0.0392","","","0.065","0.0678","","","","","","1.119","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4088937","10.5015","0.0008","15.2421","0.0011","12.9606","0.001","90","","90.147","0.002","90","","2074.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Fe N O2 -","- C26 H25 Fe N O2 -","- C104 H100 Fe4 N4 O8 -","4","2","","Gao, De-Wei; Gu, Yiting; Wang, Shao-Bo; Gu, Qing; You, Shu-Li","Palladium(0)-Catalyzed Asymmetric C‒H Alkenylation for Efficient Synthesis of Planar Chiral Ferrocenes","Organometallics","2016","35","18","3227","","10.1021/acs.organomet.6b00569","","","0.71073","MoKα","","0.0434","0.0298","","","0.0588","0.0638","","","","","","0.999","","","","has coordinates","237893","2020-10-21","18:00:00",""
"4088976","12.071","0.003","17.963","0.004","17.976","0.005","90","","90.045","0.011","90","","3897.8","1.7","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H57 Cl2 N O P2 Zr -","- C38 H57 Cl2 N O P2 Zr -","- C152 H228 Cl8 N4 O4 P8 Zr4 -","4","2","","Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions","Organometallics","2016","36","1","74","","10.1021/acs.organomet.6b00594","","","0.71073","MoKα","","0.0301","0.0272","","","0.0522","0.0532","","","","","","1.062","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4089090","13.2568","0.0012","18.0465","0.0016","15.1861","0.0013","90","","115.132","0.002","90","","3289.2","0.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H53 Ag3 Cl8 P4 -","- C65 H53 Ag3 Cl8 P4 -","- C130 H106 Ag6 Cl16 P8 -","2","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0613","0.0586","","","0.1537","0.1556","","","","","","1.101","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089120","8.159","0.0005","13.4167","0.0007","10.9519","0.0006","90","","110.021","0.004","90","","1126.42","0.11","193","2","193","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C22 H34 B Cl N P -","- C22 H34 B Cl N P -","- C44 H68 B2 Cl2 N2 P2 -","2","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0297","0.0255","","","0.0591","0.0611","","","","","","1.034","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089202","13.941","0.003","32.962","0.008","14.906","0.004","90","","114.45","0.015","90","","6235","3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H64 B Fe N3 P2 -","- C62 H64 B Fe N3 P2 -","- C248 H256 B4 Fe4 N12 P8 -","4","2","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","MoKα","","0.1833","0.075","","","0.1562","0.2022","","","","","","0.838","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4089239","9.3913","0.0019","15.521","0.003","12.764","0.003","90","","92.23","0.03","90","","1859.1","0.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H52 Li2 N2 O4 -","- C40 H52 Li2 N2 O4 -","- C80 H104 Li4 N4 O8 -","2","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.0625","0.0418","","","0.081","0.088","","","","","","1.024","","","","has coordinates","238051","2020-10-21","18:00:00",""
"4089243","8.2933","0.0017","21.208","0.004","10.115","0.002","90","","90.36","0.03","90","","1779","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48 N4 Na2 -","- C38 H48 N4 Na2 -","- C76 H96 N8 Na4 -","2","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.1046","0.0559","","","0.0902","0.1027","","","","","","0.989","","","","has coordinates","238051","2020-10-21","18:00:00",""
"4089273","8.3203","0.0001","28.1336","0.0004","12.7118","0.0002","90","","105.001","0.002","90","","2874.17","0.08","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F3 Ir N6 O4 S -","- C23 H35 Cl F3 Ir N6 O4 S -","- C92 H140 Cl4 F12 Ir4 N24 O16 S4 -","4","2","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0268","0.025","","","0.0461","0.0469","","","","","","1.026","","","","has coordinates","238078","2020-10-21","18:00:00",""
"4089275","12.6608","0.0002","8.6357","0.0001","13.6532","0.0001","90","","106.37","0.001","90","","1432.26","0.03","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H32 Cl2 F3 Ir N6 O3 S -","- C21 H32 Cl2 F3 Ir N6 O3 S -","- C42 H64 Cl4 F6 Ir2 N12 O6 S2 -","2","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.021","0.0185","","","0.0373","0.0385","","","","","","1.047","","","","has coordinates","238082","2020-10-21","18:00:00",""
"4089335","10.0363","0.0006","18.0314","0.0011","10.3864","0.0006","90","","113.968","0.001","90","","1717.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","RuCp(PPh~2~NHPh)~2~Cl (1a)","","","- C41 H37 Cl N2 P2 Ru -","- C41 H37 Cl N2 P2 Ru -","- C82 H74 Cl2 N4 P4 Ru2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0168","0.0167","","","0.0442","0.0443","","","","","","1.02","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089366","10.4902","0.0002","28.3899","0.0004","11.5768","0.0002","90","","96.412","0.001","90","","3426.19","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Pd(PEt3)2(Br)(aceto-glucopyranose)","","- C26 H49 Br O9 P2 Pd -","- C26 H49 Br O9 P2 Pd -","- C104 H196 Br4 O36 P8 Pd4 -","4","2","","Munro-Leighton, Colleen; Adduci, Laura L.; Becker, Jennifer J.; Gagné, Michel R.","Oxidative Addition of Secondary C‒X Bonds to Palladium(0): A Beneficial Anomeric Acceleration","Organometallics","2011","30","10","2646","","10.1021/om200221r","","","1.54178","CuKα","","0.0265","0.0255","","0.0559","0.0555","0.0559","","","","","","0.9384","","","","has coordinates","243619","2020-10-21","18:00:00",""
"4089413","8.8616","0.0008","23.228","0.002","12.1951","0.0011","90","","104.3","0.001","90","","2432.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(cyclooctyne)3Ag][PF6]","","","- C24 H36 Ag F6 P -","- C24 H36 Ag F6 P -","- C96 H144 Ag4 F24 P4 -","4","2","","Das, Animesh; Dash, Chandrakanta; Celik, Mehmet Ali; Yousufuddin, Muhammed; Frenking, Gernot; Dias, H. V. Rasika","Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends","Organometallics","2013","32","11","3135","","10.1021/om400073a","","","0.71073","MoKα","","0.0253","0.0246","","","0.0619","0.0624","","","","","","1.059","","","","has coordinates,has disorder","243635","2020-10-21","18:00:00",""
"4089471","5.6746","0.0014","12.386","0.003","13.467","0.003","90","","99.211","0.004","90","","934.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 Fe N3 -","- C26 H19 Fe N3 -","- C52 H38 Fe2 N6 -","2","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.0254","0.0247","","","0.063","0.0635","","","","","","1.09","","","","has coordinates","243653","2020-10-21","18:00:00",""
"4089548","15.2622","0.0007","20.3413","0.0009","23.527","0.001","90","","103.125","0.002","90","","7113.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C128 H188 F12 Ni2 O13 P6 S4 -","- C128 H188 F12 Ni2 O13 P6 S4 -","- C256 H376 F24 Ni4 O26 P12 S8 -","2","1","","Suseno, Sandy; Agapie, Theodor","Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).","Organometallics","2013","32","11","3161","","10.1021/om400424a","","","0.71073","MoKα","","0.0913","0.0618","","","0.1522","0.1647","","","","","","0.985","","","","has coordinates,has disorder","243679","2020-10-21","18:00:00",""
"4089619","9.969","0.003","27.047","0.007","14.116","0.003","90","","92.31","0.008","90","","3803","1.7","110","","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40.5 H41.5 Cl1.5 F1.5 N2.5 O4 P2 Pt -","- C40.5 H41.5 Cl1.5 F1.5 N2.5 O4 P2 Pt -","- C162 H166 Cl6 F6 N10 O16 P8 Pt4 -","4","2","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0495","0.0381","","","0.0735","0.0765","","","","","","1.027","","","","has coordinates,has disorder","243703","2020-10-21","18:00:00",""
"4089635","7.068","0.0004","29.236","0.0017","9.337","0.0004","90","","103.324","0.004","90","","1877.46","0.18","198","","198","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O2 Pt -","- C21 H21 N3 O2 Pt -","- C84 H84 N12 O8 Pt4 -","4","2","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0457","0.0318","","","0.0534","0.0554","","","","","","1.021","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089648","12.1193","0.0005","17.3072","0.0005","15.3776","0.0007","90","","112.794","0.005","90","","2973.6","0.2","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H104 B2 Li2 N4 P2 -","- C58 H104 B2 Li2 N4 P2 -","- C116 H208 B4 Li4 N8 P4 -","2","1","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.068","0.0486","","","0.0918","0.1013","","","","","","1.037","","","","has coordinates","243713","2020-10-21","18:00:00",""
"4089669","9.6061","0.0004","29.2804","0.0013","17.7516","0.0008","90","","105.509","0.0017","90","","4811.2","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H100 N2 O6 Zr2 -","- C84 H100 N2 O6 Zr2 -","- C168 H200 N4 O12 Zr4 -","2","1","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","","0.71073","MoKα","","0.0823","0.0502","","","0.0879","0.0955","","","","","","0.987","","","","has coordinates","243717","2020-10-21","18:00:00",""
"4089686","10.8406","0.0003","7.6269","0.0002","14.2269","0.0004","90","","108.998","0.001","90","","1112.21","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chlorido(methyl 4-oxido-2-ethyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide)(6-p-cymene)ruthenium(II)","","- C22 H26 Cl N O5 Ru S -","- C22 H26 Cl N O5 Ru S -","- C44 H52 Cl2 N2 O10 Ru2 S2 -","2","1","","Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives","Organometallics","2014","33","19","5546","","10.1021/om500825h","","","0.71073","MoKα","","0.0241","0.0233","","","0.0556","0.0564","","","","","","1.03","","","","has coordinates","243721","2020-10-21","18:00:00",""
"4100023","8.257","0.003","8.37","0.002","21.383","0.008","90","","100.054","0.016","90","","1455.1","0.8","173","2","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C46 H66 B4 Cl4 F6 N8 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100075","7.7697","0.0017","5.6329","0.0013","13.56","0.003","90","","100.345","0.004","90","","583.8","0.2","100","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C24 H28 Br2 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0444637","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100090","10.838","0.005","31.965","0.015","11.817","0.006","90","","112.987","0.006","90","","3769","3","193","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 N14 O13 Pt S -","- C25 H24.5 N14 O13 Pt S -","- C100 H98 N56 O52 Pt4 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100101","7.8777","0.0015","7.7795","0.0014","13.672","0.003","90","","102.036","0.004","90","","819.5","0.3","213","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl N O -","- C15 H26 Cl N O -","- C30 H52 Cl2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100102","13.5209","0.0006","15.1921","0.0007","15.0232","0.0006","90","","108.483","0.003","90","","2926.7","0.2","120","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C116 H140 Cl16 Fe4 P4 Pd4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042930e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100117","9.4151","0.0019","17.713","0.004","10.369","0.002","90","","92.19","0.03","90","","1727.9","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H37 F3 O3 P2 Ru S -","- C38 H37 F3 O3 P2 Ru S -","- C76 H74 F6 O6 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100199","11.896","0.003","11.812","0.003","12.988","0.003","90","","90.592","0.004","90","","1824.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C84 H92 N12 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051075b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100216","6.552","0.0003","38.443","0.0003","8.845","0.0003","90","","95.89","0.02","90","","2216.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H55 N O10 -","- C48 H55 N O10 -","- C96 H110 N2 O20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0537068","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100232","13.0074","0.0015","5.5271","0.0006","17.063","0.002","90","","106.658","0.002","90","","1175.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100234","10.9212","0.001","5.3916","0.0005","17.0437","0.0016","90","","90.27","0.003","90","","1003.57","0.16","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R.","Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100244","6.5893","0.0013","5.4676","0.0011","18.392","0.003","90","","96.499","0.006","90","","658.4","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O3 S -","- C10.9991 H17.9979 N4 O3 S0.9997 -","- C21.9982 H35.9958 N8 O6 S1.9994 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100245","6.0389","0.0007","7.2672","0.0009","12.9258","0.0015","90","","99.908","0.002","90","","558.8","0.11","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O5 -","- C8 H16 N4 O5 -","- C16 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100247","4.8451","0.0018","18.326","0.007","8.678","0.003","90","","104.029","0.007","90","","747.5","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H20 N4 O8 -","- C10 H20 N4 O8 -","- C20 H40 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100248","4.9316","0.0007","15.472","0.002","8.6253","0.0013","90","","99.102","0.004","90","","649.84","0.17","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C22 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100252","11.3837","0.0006","36.2251","0.0019","13.6178","0.0008","90","","97.838","0.003","90","","5563.2","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100254","12.013","0.009","8.448","0.006","15.988","0.012","90","","104.015","0.013","90","","1574.3","1.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O8 -","- C33 H42 N2 O8 -","- C66 H84 N4 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100275","6.431","0.002","17.308","0.006","16.719","0.006","90","","90.93","0.01","90","","1860.7","1.1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 24","","","- C40 H54 B N O4 Si -","- C40 H54 B N O4 Si -","- C80 H108 B2 N2 O8 Si2 -","2","1","","Biljana Peric Simov; Frank Wuggenig; Kurt Mereiter; Hendrik Andres; Julien France; Peter Schnelli; Friedrich Hammerschmidt","Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as its 3,5-Dinitrobenzoate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100276","9.439","0.001","25.767","0.001","9.547","0.001","90","","113.02","0.01","90","","2137.1","0.3","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H53 Cl2 Co N3 O -","- C46 H53 Cl2 Co N3 O -","- C92 H106 Cl4 Co2 N6 O2 -","2","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100298","14.41","0.004","11.391","0.003","17.611","0.004","90","","103.542","0.005","90","","2810.3","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cr N7 O2 -","- C60 H80 Cr N7 O2 -","- C120 H160 Cr2 N14 O4 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100305","11.719","0.003","9.905","0.002","17.403","0.005","90","","97.939","0.01","90","","2000.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 N2 O3 Ru -","- C46 H38 N2 O3 Ru -","- C92 H76 N4 O6 Ru2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100330","10.288","0.0009","11.3745","0.0009","12.3997","0.0009","90","","92.421","0.002","90","","1449.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N4 Si2 -","- C24 H53 Cl N4 Si2 -","- C48 H106 Cl2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100386","8.8395","0.0011","10.6587","0.0015","13.4582","0.0019","90","","105.205","0.002","90","","1223.6","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 F3 N O -","- C12 H16 F3 N O -","- C48 H64 F12 N4 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100402","6.448","0.001","20.322","0.003","6.7818","0.001","90","","102.779","0.004","90","","866.7","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100404","10.089","0.0013","9.621","0.0012","22.019","0.003","90","","102.17","0.003","90","","2089.3","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C76 H94 B4 Cl4 F16 O4 P4 Rh2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100409","11.3849","0.0008","7.4838","0.0005","13.4086","0.0009","90","","105.204","0.001","90","","1102.46","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl N2 O -","- C25 H29 Cl N2 O -","- C50 H58 Cl2 N4 O2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100434","6.4334","0.0011","13.248","0.002","11.4784","0.0018","90","","98.002","0.004","90","","968.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H26 Br N O3 S -","- C15 H26 Br N O3 S -","- C30 H52 Br2 N2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054401w","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100437","5.1796","0.0009","15.931","0.003","7.7324","0.0012","90","","90.41","0.003","90","","638.04","0.18","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100440","11.743","0.002","8.1468","0.0015","16.04","0.003","90","","94.742","0.004","90","","1529.3","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15.5 H19 Cl O5 -","- C15.5 H19 Cl O5 -","- C62 H76 Cl4 O20 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100484","6.3945","0.0016","10.532","0.003","8.707","0.002","90","","102.679","0.005","90","","572.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051330s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100491","8.3448","0.0007","8.2704","0.0007","10.2329","0.0009","90","","110.033","0.001","90","","663.5","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100533","14.9353","0.0011","15.7717","0.0012","26.457","0.002","90","","91.1412","0.0014","90","","6231","0.8","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","4","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates","264766","2021-05-03","09:48:25",""
"4100564","7.5875","0.0015","28.279","0.006","10.105","0.002","90","","91.42","0.03","90","","2167.6","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H12.5 Cl N O3 S2 -","- C22 H26 Cl N O3 S2 -","- C88 H104 Cl4 N4 O12 S8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100574","8.7703","0.0008","12.6055","0.0012","9.0914","0.0009","90","","118.124","0.002","90","","886.42","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 I N O3 -","- C16 H20 I N O3 -","- C32 H40 I2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100576","8.6587","0.0005","8.6285","0.0005","10.8061","0.0006","90","","108.403","0.001","90","","766.05","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100577","7.0983","0.0007","11.0402","0.0012","8.6438","0.0009","90","","112.212","0.002","90","","627.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 I N O -","- C12 H14 I N O -","- C24 H28 I2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100590","16.7411","0.0001","28.5619","0.0003","19.501","0.0002","90","","111.975","0.0005","90","","8647.12","0.14","150","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C207 H200 N12 O8 P4 -","- C207 H157 N12 O8 P4 -","- C414 H314 N24 O16 P8 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100656","13.9364","0.0018","15.934","0.002","15.719","0.002","90","","96.004","0.002","90","","3471.6","0.8","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H51 Cl3 Cu Fe3 N P S3 -","- C44 H102 Cl6 Cu2 Fe6 N2 P2 S6 -","- C88 H204 Cl12 Cu4 Fe12 N4 P4 S12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100659","21.143","0.003","12.572","0.002","23.8","0.003","90","","108.62","0.05","90","","5995.1","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C126 H146 N9 O14.5 -","- C126 H146 N9 O14.5 -","- C252 H292 N18 O29 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043116u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100663","9.6257","0.0008","19.4236","0.0014","11.1331","0.0008","90","","94.26","0.003","90","","2075.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O3 -","- C18 H35 N2 O3 -","- C72 H140 N8 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043470s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100711","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100733","11.3614","0.0008","14.4508","0.0007","17.8885","0.0011","90","","90.313","0.004","90","","2936.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H52 N2 P2 Ru Si2 -","- C22 H52 N2 P2 Ru Si2 -","- C88 H208 N8 P8 Ru4 Si8 -","4","2","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050361k","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100743","8.124","0.002","12.92","0.003","15.721","0.004","90","","90.069","0.004","90","","1650","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H48 O8 -","- C38 H48 O8 -","- C76 H96 O16 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051110e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100747","6.4552","0.0008","14.6777","0.0018","11.1916","0.0014","90","","102.127","0.003","90","","1036.7","0.2","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O2 Ru S -","- C22 H23 Cl N2 O2 Ru S -","- C44 H46 Cl2 N4 O4 Ru2 S2 -","2","1","","Jérôme Hannedouche; Guy J. Clarkson; Martin Wills","A New Class of ""Tethered"" Ruthenium(II) Catalyst for Asymmetric Transfer Hydrogenation Reactions","Journal of the American Chemical Society","2004","126","","986","987","10.1021/ja0392768","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100748","10.627","0.001","12.109","0.001","10.746","0.001","90","","113.193","0.001","90","","1271.2","0.2","118.2","","118.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N Zr -","- C29 H45 N Zr -","- C58 H90 N2 Zr2 -","2","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100755","7.9334","0.0016","35.541","0.008","13.126","0.003","90","","90.061","0.004","90","","3700.9","1.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O5 S -","- C20 H15 Br O5 S -","- C160 H120 Br8 O40 S8 -","8","4","","J. Adam McCubbin; Xia Tong; Ruiyao Wang; Yue Zhao; Victor Snieckus; Robert P. Lemieux","Directed Metalation Route to Ferroelectric Liquid Crystals with a Chiral Fluorenol Core: The Effect of Restricted Rotation on Polar Order","Journal of the American Chemical Society","2004","126","","1161","1167","10.1021/ja038920f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100872","6.147","0.0004","11.4061","0.0007","20.3654","0.0016","90","","93.172","0.009","90","","1425.7","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","2","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100883","11.1005","0.0011","11.1138","0.0011","12.3051","0.0013","90","","110.71","0.002","90","","1420","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(BNA)2(H2O)7","","","- C24 H28 Cu N4 O15 -","- C24 H22 Cu N4 O15 -","- C48 H44 Cu2 N8 O30 -","2","1","","Radu Custelcean","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100936","26.969","0.005","26.417","0.005","24.926","0.005","90","","117.095","0.005","90","","15809","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C224 H208 Au16 F48 N8 P24 S16 -","- C224 H208 Au16 F48 N8 P24 S16 -","- C448 H416 Au32 F96 N16 P48 S32 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100943","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4100959","13.491","0.003","13.557","0.003","15.658","0.003","90","","113.64","0.03","90","","2623.6","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H64 Cl2 Ir N O2 P2 -","- C63 H64 Cl2 Ir N O2 P2 -","- C126 H128 Cl4 Ir2 N2 O4 P4 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100960","9.654","0.009","8.269","0.005","15.48","0.01","90","","95.24","0.03","90","","1230","1","97.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H28 O4 -","- C31 H28 O4 -","- C62 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100996","9.7103","0.0019","23.907","0.005","20.636","0.004","90","","102.67","0.03","90","","4674.1","1.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C119 H94 O P4 Pd2 -","- C119 H94 O P4 Pd2 -","- C238 H188 O2 P8 Pd4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja045533c","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4101049","9.907","0.005","10.282","0.005","12.655","0.005","90","","105.568","0.005","90","","1241.8","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","LCOF05","","","- C32 H27 P S -","- C32 H27 P S -","- C64 H54 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101065","8.4403","0.0015","18.274","0.002","9.4574","0.0013","90","","113.178","0.018","90","","1340.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H45 Li N2 O Si -","- C27 H45 Li N2 O Si -","- C54 H90 Li2 N4 O2 Si2 -","2","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101080","14.318","0.004","10.207","0.003","16.772","0.004","90","","102.725","0.005","90","","2391","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O3 S -","- C25 H34 N2 O3 S -","- C100 H136 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101094","8.226","0.003","21.665","0.005","15.256","0.005","90","","99.48","0.08","90","","2681.7","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H40 F6 Fe P4 Si -","- C20 H40 F6 Fe P4 Si -","- C80 H160 F24 Fe4 P16 Si4 -","4","2","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101158","6.435","0.002","12.833","0.005","25.451","0.009","90","","96.176","0.009","90","","2089.7","1.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101164","12.797","0.003","21.064","0.004","20.183","0.005","90","","91.6","0.01","90","","5439","2","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H70 F6 N O4 P -","- C64 H70 F6 N O4 P -","- C256 H280 F24 N4 O16 P4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101169","11.825","0.003","11.717","0.003","21.291","0.007","90","","100.88","0.01","90","","2896","1","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H52 O3 P3 Rh -","- C74 H68 O3 P3 Rh -","- C148 H136 O6 P6 Rh2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101172","8.2347","0.0016","15.6","0.003","9.5307","0.0019","90","","96.28","0.03","90","","1216.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 S -","- C24 H33 N O5 S -","- C48 H66 N2 O10 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101194","10.334","0.003","6.0435","0.0017","10.356","0.003","90","","115.723","0.005","90","","582.7","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl N2 O -","- C13 H9 Cl N2 O -","- C26 H18 Cl2 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101205","17.42","0.004","20.435","0.003","17.513","0.004","90","","101.58","0.01","90","","6107","2","194","2","194","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O3 S Si -","- C28 H50 N2 O3 S Si -","- C224 H400 N16 O24 S8 Si8 -","8","4","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101206","7.38","0.002","14.304","0.003","16.996","0.008","90","","93.16","0.03","90","","1791.4","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C68 H100 N4 O6 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101208","6.0661","0.0006","14.1382","0.0016","10.9152","0.0015","90","","92.357","0.007","90","","935.34","0.19","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C40 H58 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101212","6.1354","0.0009","14.4848","0.0017","9.895","0.002","90","","92.369","0.008","90","","878.618","","","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","","J.W.Bats; T.Heinrich; M.Reggelin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101216","10.1232","0.0008","17.8619","0.0014","16.4421","0.0013","90","","90.287","0.001","90","","2973","0.4","396","2","396","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Pd(IPr)(MeCH2CHCH2)Cl]","","","- C31 H44 Cl N2 Pd -","- C31 H44 Cl N2 Pd -","- C124 H176 Cl4 N8 Pd4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101228","6.8108","0.0015","14.658","0.003","9.791","0.002","90","","107.796","0.006","90","","930.6","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N3 O6 -","- C19 H24 N3 O6 -","- C38 H48 N6 O12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060846o","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101233","9.5584","0.0007","16.3202","0.0013","16.2667","0.0013","90","","94.116","0.001","90","","2531","0.3","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","(anthracene)Mo(PMe3)3","","","- C23 H37 Mo P3 -","- C23 H37 Mo P3 -","- C92 H148 Mo4 P12 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101255","9.4466","0.0019","10.052","0.002","13.087","0.003","90","","98.62","0.03","90","","1228.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O2 -","- C29 H25 Cl N2 O2 -","- C58 H50 Cl2 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.04","0.0302","","","0.0829","0.0913","","","","","","0.688","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101268","13.9099","0.0012","19.766","0.0016","15.7615","0.0013","90","","98.033","0.002","90","","4291","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Piv-Pro-Pro-Aib-Leu-Aib-Phe-OMe","Pivaloyl-prolyl-prolyl-alpha-aminoisobutyryl-leucyl-alpha-aminoisobutyryl- phenylalanyl-methyl ester","","- C39 H60 N6 O8 -","- C39 H60 N6 O8 -","- C156 H240 N24 O32 -","4","2","","Rai, Rajkishor; Aravinda, Subrayashastry; Kanagarajadurai, Karuppiah; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","Diproline templates as folding nuclei in designed peptides. Conformational analysis of synthetic peptide helices containing amino terminal Pro-Pro segments.","Journal of the American Chemical Society","2006","128","24","7916","7928","10.1021/ja060674v","","","0.71073","MoKα","","0.0733","0.0546","","","0.1445","0.1597","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101280","8.8858","0.0018","6.9643","0.0014","15.401","0.003","90","","98.36","0.03","90","","942.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C42 H48 N4 O8 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.063","0.051","","","0.1112","0.1165","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101306","7.2276","0.0013","9.3724","0.0017","10.3744","0.0018","90","","92.231","0.003","90","","702.2","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C32 H48 O4 -","2","1","","McFadden, Ryan M; Stoltz, Brian M","The catalytic enantioselective, protecting group-free total synthesis of (+)-dichroanone.","Journal of the American Chemical Society","2006","128","24","7738","7739","10.1021/ja061853f","","","0.71073","MoKα","","0.0528","0.0417","","","0.0708","0.0729","","","","","","1.379","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101334","10.2354","0.0006","18.0628","0.001","16.1878","0.0009","90","","103.189","0.003","90","","2913.9","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C73 H50 O4 -","- C73 H50 O4 -","- C146 H100 O8 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0506","0.0453","","","0.1207","0.1237","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101361","6.238","0.004","7.844","0.004","18.827","0.012","90","","94.98","0.03","90","","917.7","0.9","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Shibata, Takanori; Tahara, Yu-ki","Enantioselective intramolecular [2 + 2 + 2] cycloaddition of 1,4-diene-ynes: a new approach to the construction of quaternary carbon stereocenters.","Journal of the American Chemical Society","2006","128","36","11766","11767","10.1021/ja0639160","","","0.71075","MoKα","","","0.1042","","","","0.3045","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101449","12.2246","0.0019","27.556","0.004","12.862","0.002","90","","102.822","0.004","90","","4224.7","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H121 B F24 Fe N3 O3 P2 -","- C81 H99 B2 F24 Fe N3 O3 P2 -","- C162 H198 B4 F48 Fe2 N6 O6 P4 -","2","1","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.2941","0.1237","","","0.1716","0.1972","","","","","","1.38","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101499","7.5315","0.0015","19.034","0.004","8.174","0.0016","90","","104.27","0.03","90","","1135.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F N2 O4 -","- C10 H11 F N2 O4 -","- C40 H44 F4 N8 O16 -","4","2","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.1003","0.0577","","","0.1405","0.154","","","","","","0.999","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101502","29.95","0.03","54.46","0.05","30.26","0.03","90","","111.06","0.05","90","","46062","79","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C522 H722 N60 O20 Zn10 -","- C522 H110 N60 O20 Zn10 -","- C1044 H220 N120 O40 Zn20 -","2","1","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.6","Synchrotron","","0.1277","0.1147","","","0.3123","0.3186","","","","","","2.415","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101548","14.5294","0.0005","13.9634","0.0006","22.6549","0.001","90","","107.056","0.003","90","","4394.1","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H46 Si -","- C58 H46 Si -","- C232 H184 Si4 -","4","2","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.198","0.1006","","","0.1582","0.1833","","","","","","1.324","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101568","10.4478","0.0002","32.249","0.0006","10.6105","0.0002","90","","112.259","0.001","90","","3308.6","0.11","268","2","268","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N4 O2 S2 -","- C32 H48 N4 O2 S2 -","- C128 H192 N16 O8 S8 -","4","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1296","0.0709","","","0.1558","0.1843","","","","","","1","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101573","6.2685","0.0013","12.772","0.003","7.5043","0.0015","90","","111.517","0.004","90","","558.93","0.19","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 B N -","- C12 H22 B N -","- C24 H44 B2 N2 -","2","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0846","0.0423","","","0.0494","0.0558","","","","","","0.976","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101589","7.2459","0.0004","8.6833","0.0004","11.2308","0.0005","90","","104.73","0.003","90","","683.4","0.06","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 Br O4 -","- C14 H19 Br O4 -","- C28 H38 Br2 O8 -","2","1","","Gao, Shuanhu; Wang, Oiaoling; Chen, Chuo","Synthesis and Structure Revision of Nakiterpiosin","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1410","","10.1021/ja808110d","","","0.7107","MoKα","","0.0388","0.0286","","","0.0577","0.0616","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101606","10.9098","0.0004","11.9108","0.0005","11.298","0.0004","90","","113.769","0.002","90","","1343.58","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0413","0.0353","","","0.0999","0.1212","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101607","7.588","0.0001","5.816","0.0001","8.8911","0.0002","90","","101.966","0.001","90","","383.854","0.012","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 I O2 -","- C7 H7 I O2 -","- C14 H14 I2 O4 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","0.71073","MoKα","","0.0188","0.0187","","","0.0483","0.0483","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101612","13.2896","0.0014","5.7582","0.0006","15.3496","0.0016","90","","106.088","0.001","90","","1128.6","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 O S2 -","- C12 H12 O S2 -","- C48 H48 O4 S8 -","4","2","","Fujisaki, Junichi; Matsumoto, Kenji; Matsumoto, Kazuhiro; Katsuki, Tsutomu","Catalytic asymmetric oxidation of cyclic dithioacetals: highly diastereo- and enantioselective synthesis of the S-oxides by a chiral aluminum(salalen) complex","Journal of the American Chemical Society","2011","133","1","56","61","10.1021/ja106877x","","","0.71073","MoKα","","0.0186","0.0184","","","0.0499","0.0501","","","","","","1.061","","","","has coordinates","210877","2020-10-21","18:00:00",""
"4101637","6.6869","0.0012","13.862","0.003","13.166","0.002","90","","97.899","0.004","90","","1208.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","","Zhang, Chun; Jiao, Ning","Dioxygen activation under ambient conditions: Cu-catalyzed oxidative amidation-diketonization of terminal alkynes leading to alpha-ketoamides.","Journal of the American Chemical Society","2010","132","1","28","29","10.1021/ja908911n","","","0.71073","MoKα","","0.0489","0.0427","","","0.1086","0.113","","","","","","0.992","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101680","13.4698","0.0004","18.017","0.0005","13.9282","0.0004","90","","115.011","0.001","90","","3063.2","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C144 H164 B4 Fe2 N24 -","2","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0","0.0323","","","0.0858","0.0936","","","","","","0.992","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101684","7.02","0.003","8.139","0.003","9.731","0.004","90","","104.87","0.03","90","","537.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl3 Co N2 -","- C5 H13 Cl3 Co N2 -","- C10 H26 Cl6 Co2 N4 -","2","1","","Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi; Zhang, Wen; Xiong, Ren-Gen; Huang, Songping D","Hydrogen-bonded ferroelectrics based on metal-organic coordination.","Journal of the American Chemical Society","2009","131","1","42","43","10.1021/ja808331g","","","0.71073","MoKα","","0.035","0.0295","","","0.0616","0.065","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101685","7.0385","0.0014","8.1172","0.0016","9.754","0.002","90","","105.06","0.03","90","","538.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl3 N2 Zn -","- C5 H13 Cl3 N2 Zn -","- C10 H26 Cl6 N4 Zn2 -","2","1","","Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi; Zhang, Wen; Xiong, Ren-Gen; Huang, Songping D","Hydrogen-bonded ferroelectrics based on metal-organic coordination.","Journal of the American Chemical Society","2009","131","1","42","43","10.1021/ja808331g","","","0.71073","MoKα","","0.042","0.0364","","","0.0758","0.0786","","","","","","1.022","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101736","9.698","0.007","7.153","0.005","11.571","0.007","90","","92.098","0.011","90","","802.1","0.9","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C36 H34 I2 O6 -","2","1","","Liao, Xuebin; Weng, Zhiqiang; Hartwig, John F.","Enantioselective alpha-arylation of ketones with aryl triflates catalyzed by difluorphos complexes of palladium and nickel.","Journal of the American Chemical Society","2008","130","1","195","200","10.1021/ja074453g","","","0.71073","MoKα","","0.1076","0.0533","","","0.1191","0.1406","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101743","12.9697","0.0014","6.1221","0.0007","14.1396","0.0015","90","","112.992","0.003","90","","1033.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.0422","0.0389","","","0.1051","0.1083","","","","","","1.059","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101749","12.497","0.002","22.823","0.003","13.582","0.002","90","","108.548","0.001","90","","3672.6","0.9","123.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H74 Cl8 Fe2 N10 O15 -","- C70 H63 Cl8 Fe2 N10 O15 -","- C140 H126 Cl16 Fe4 N20 O30 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.067","","","","0.0894","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101773","9.527","0.002","19.163","0.004","12.549","0.003","90","","110.754","0.003","90","","2142.4","0.8","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H66 Br4 P2 Pd2 -","- C36 H66 Br4 P2 Pd2 -","- C72 H132 Br8 P4 Pd4 -","2","1","","Brad P. Carrow; John. F. Hartwig","Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction","Journal of the American Chemical Society","2010","132","","79","81","10.1021/ja909306f","","","0.71073","MoKα","","0.0553","0.033","","","0.0613","0.0667","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101786","10.6326","0.0009","5.7924","0.0005","15.5841","0.0014","90","","107.396","0.006","90","","915.9","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.0589","0.0313","","","0.0866","0.1062","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101787","10.3908","0.0018","8.4201","0.0016","12.468","0.002","90","","105.207","0.006","90","","1052.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.0545","0.0422","","","0.1257","0.1616","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101799","8.9623","0.0006","17.635","0.0013","12.5098","0.0008","90","","105.836","0.004","90","","1902.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","2","","Bing-Feng Shi; Yang-Hui Zhang; Jonathan K. Lam; Dong-Hui Wang; Jin-Quan Yu","Pd(II)-Catalyzed Enantioselective C-H Olefination of Diphenylacetic Acids","Journal of the American Chemical Society","2010","132","","460","461","10.1021/ja909571z","","","1.54178","CuKα","","0.0369","0.0331","","","0.075","0.0836","","","","","","1.054","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101823","14.008","0.003","11.521","0.0013","15.701","0.003","90","","96.679","0.01","90","","2516.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H26 N3 O9 Zn2 -","- C47 H26 N3 O9 Zn2 -","- C94 H52 N6 O18 Zn4 -","2","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.1717","0.1266","","","0.3567","0.3954","","","","","","1.546","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101841","5.5286","0.0002","7.7518","0.0003","19.4144","0.0006","90","","91.466","0.002","90","","831.76","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Sha Lou; Gregory C. Fu","Nickel/Bis(oxazoline)-Catalyzed Asymmetric Kumada Reactions of Alkyl Electrophiles: Cross-Couplings of Racemic α-Bromoketones","Journal of the American Chemical Society","2010","132","","1264","1266","10.1021/ja909689t","","","1.54178","CuKα","","0.0385","0.0376","","","0.1044","0.1049","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101842","10.0926","0.0011","7.019","0.0008","10.2938","0.0011","90","","108.555","0.003","90","","691.31","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C26 H32 O8 S2 -","2","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0376","0.0305","","","0.0714","0.0759","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101845","13.8993","0.0005","5.3222","0.00019","21.5004","0.0009","90","","107.142","0.002","90","","1519.84","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-Benzyloxyacetic acid 1-(toluene-4-sulfonyl)-4 -undecylidenepyrrolidin-3-yl ester","","- C31 H43 N O5 S -","- C31 H43 N O5 S -","- C62 H86 N2 O10 S2 -","2","1","","Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Asymmetric Reductive Cyclization of Heteroatom-Linked 5-Alkynals with Heteroatom-Substituted Acetaldehydes","Journal of the American Chemical Society","2010","132","","1238","1239","10.1021/ja9104655","","","1.54187","CuKα","","0.1097","0.0658","","","0.1525","0.1985","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101850","11.0075","0.0011","18.0498","0.0019","11.1488","0.0011","90","","103.942","0.007","90","","2149.8","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 F24 N9 O P4 Ru -","- C24 H39 F24 N9 O P4 Ru -","- C48 H78 F48 N18 O2 P8 Ru2 -","2","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0656","0.0476","","","0.0936","0.1015","","","","","","1.025","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101874","5.887","0.004","11.304","0.007","13.23","0.008","90","","98.187","0.009","90","","871.4","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl6 N O3 -","- C11 H15 Cl6 N O3 -","- C22 H30 Cl12 N2 O6 -","2","1","","Stéphane Beaumont; Elizabeth A. Ilardi; Lucas R. Monroe; Armen Zakarian","Valence Tautomerism in Titanium Enolates: Catalytic Radical Haloalkylation and Application in the Total Synthesis of Neodysidenin","Journal of the American Chemical Society","2010","132","","1482","1483","10.1021/ja910154f","","","0.71073","MoKα","","0.055","0.0399","","","0.0858","0.092","","","","","","0.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101875","10.9585","0.0004","7.9293","0.0003","15.5064","0.0006","90","","107.736","0.0004","90","","1283.36","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C48 H78 N2 O6 Si2 -","2","1","","Tim G. Elford; Dennis G. Hall","Total Synthesis of (+)-Chinensiolide B via Tandem Allylboration/Lactonization","Journal of the American Chemical Society","2010","132","","1488","1489","10.1021/ja9104478","","","0.71073","MoKα","","0.0338","0.0319","","","0.0848","0.0868","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101879","8.0839","0.0006","10.4761","0.0008","8.6654","0.0007","90","","91.849","0.005","90","","733.47","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 Ru -","- C18 H24 Ru -","- C36 H48 Ru2 -","2","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.05","0.0394","","","0.1016","0.1093","","","","","","0.776","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101909","8.5714","0.0008","8.9832","0.0009","9.6979","0.001","90","","114.317","0.007","90","","680.48","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0729","0.0464","","","0.1129","0.1457","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101980","5.4308","0.0009","15.24","0.003","12.964","0.002","90","","98.362","0.003","90","","1061.6","0.3","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O7 -","- C23 H23 Br O7 -","- C46 H46 Br2 O14 -","2","1","","Christina M. Woo; Liang Lu; Shivajirao L. Gholap; Devin R. Smith; Seth B. Herzon","Development of a Convergent Entry to the Diazofluorene Antitumor Antibiotics: Enantioselective Synthesis of Kinamycin F","Journal of the American Chemical Society","2010","132","","2540","2541","10.1021/ja910769j","","","0.71075","MoKα","","","0.049","","","","0.1152","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102002","8.353","0.004","12.674","0.007","9.879","0.005","90","","108.004","0.01","90","","994.6","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F N O4 S2 -","- C21 H18 F N O4 S2 -","- C42 H36 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.1524","0.1248","","","0.2978","0.323","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102032","17.2321","0.0002","9.5331","0.0001","18.4717","0.0002","90","","91.638","0.001","90","","3033.2","0.06","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","RajanBabu 1745","","","- C31 H32 Cl2 Co O2 P2 -","- C31 H32 Cl2 Co O2 P2 -","- C124 H128 Cl8 Co4 O8 P8 -","4","2","","Rakesh K. Sharma; T. V. RajanBabu","Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes","Journal of the American Chemical Society","2010","132","","3295","3297","10.1021/ja1004703","","x-ray","0.71073","MoKα","","0.0515","0.0375","","","0.0744","0.0795","","","","","","1.014","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102094","10.7145","0.0003","7.1225","0.0003","12.4937","0.0003","90","","109.575","0.0017","90","","898.34","0.05","103.1","","103.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 Br N2 O5 -","- C17 H19 Br N2 O5 -","- C34 H38 Br2 N4 O10 -","2","1","","Nicholas E. Shepherd; Hirooki Tanabe; Yingjie Xu; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of an α,β-Unsaturated γ-Butyrolactam under Dinuclear Nickel Catalysis","Journal of the American Chemical Society","2010","132","","3666","3667","10.1021/ja1002636","","","1.54187","CuKα","","","0.0389","","","","0.079","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102124","12.2734","0.0015","7.0211","0.0009","13.0651","0.0017","90","","108.615","0.003","90","","1067","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Camphanic Acid Ester ent-16","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0638","0.0461","","","0.0988","0.1203","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102135","7.8185","0.0016","8.3688","0.0017","22.032","0.004","90","","95","0.03","90","","1436.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Daisuke Kato; Yoshikazu Sasaki; Dale L. Boger","Asymmetric Total Synthesis of Vindoline","Journal of the American Chemical Society","2010","132","","3685","3687","10.1021/ja910695e","","","0.71073","MoKα","","0.0979","0.0758","","","0.1988","0.219","","","","","","0.908","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102160","6.10829","0.00012","7.5097","0.00015","17.8862","0.0003","90","","93.2667","0.0012","90","","819.13","0.03","143.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C34 H48 N4 O4 -","2","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.049","","","","0.158","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102161","8.35231","0.00018","10.24","0.0002","9.641","0.0002","90","","91.1862","0.0014","90","","824.4","0.03","123.1","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0426","","","","0.1148","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102225","9.6979","0.0002","5.6619","0.0001","16.9349","0.0003","90","","95.952","0.001","90","","924.86","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 S -","- C18 H24 O5 S -","- C36 H48 O10 S2 -","2","1","","Jianwei Sun; Gregory C. Fu","Phosphine-Catalyzed Formation of Carbon-Sulfur Bonds: Catalytic Asymmetric Synthesis of γ-Thioesters","Journal of the American Chemical Society","2010","132","","4568","4569","10.1021/ja101251d","","","1.54178","CuKα","","0.0259","0.0258","","","0.0658","0.0659","","","","","","1.049","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102235","7.7406","0.0006","25.5147","0.0018","14.5225","0.0011","90","","91.63","0.003","90","","2867","0.4","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","4","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","0.71073","MoKα","","0.12","0.0838","","","0.1914","0.2158","","","","","","1.143","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102239","13.2539","0.0017","7.4121","0.0009","16.7467","0.0018","90","","101.349","0.006","90","","1613","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 O6 -","- C34 H54 O6 -","- C68 H108 O12 -","2","1","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.098","0.0608","","","0.1614","0.2206","","","","","","1.131","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102240","16.924","0.014","7.236","0.006","39.64","0.03","90","","98.926","0.01","90","","4796","7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O12 -","- C44 H56 N2 O12 -","- C176 H224 N8 O48 -","4","2","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.2107","0.0905","","","0.1472","0.1804","","","","","","0.989","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102262","6.0138","0.0001","23.3983","0.0004","17.9273","0.0003","90","","93.199","0.001","90","","2518.67","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C120 H120 O24 -","6","3","","Sha Lou; Gregory C. Fu","Enantioselective Alkenylation via Nickel-Catalyzed Cross-Coupling with Organozirconium Reagents","Journal of the American Chemical Society","2010","132","","5010","5011","10.1021/ja1017046","","","1.54178","CuKα","","0.035","0.032","","","0.0804","0.0827","","","","","","1.029","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102350","8.224","0.0016","6.585","0.0013","13.899","0.003","90","","94.19","0.03","90","","750.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C36 H38 Br2 O4 -","2","1","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.047","0.0422","","","0.097","0.0984","","","","","","0.981","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102351","7.0708","0.0015","16.433","0.003","13.37","0.003","90","","92.797","0.003","90","","1551.7","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O2 -","- C19 H21 Br O2 -","- C76 H84 Br4 O8 -","4","2","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.0306","0.0283","","","0.0595","0.06","","","","","","0.974","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102352","6.5078","0.0013","16.614","0.003","13.417","0.003","90","","91.79","0.03","90","","1449.9","0.5","20","","20","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","2","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.41328","","","0.0534","0.0517","","","0.1266","0.1284","","","","","","1.118","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102367","11.798","0.002","16.642","0.003","17.248","0.003","90","","106.91","0.03","90","","3240.1","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H92 Mo6 N4 O19 -","- C50 H92 Mo6 N4 O19 -","- C100 H184 Mo12 N8 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0312","0.0282","","","0.0698","0.0717","","","","","","1.049","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102368","11.78","0.002","16.623","0.003","17.258","0.004","90","","106.83","0.03","90","","3234.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H92 Mo6 N4 O19 -","- C50 H92 Mo6 N4 O19 -","- C100 H184 Mo12 N8 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0353","0.0322","","","0.079","0.0807","","","","","","1.054","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102463","8.0323","0.0004","12.7196","0.0006","15.1008","0.0007","90","","90.019","0.003","90","","1542.81","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C52 H76 I4 O12 -","4","2","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0384","0.0293","","","0.0613","0.0652","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102465","12.221","0.0003","7.726","0.0002","14.1518","0.0003","90","","90.599","0.002","90","","1336.13","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H43 B O4 Si -","- C23 H43 B O4 Si -","- C46 H86 B2 O8 Si2 -","2","1","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0484","0.037","","","0.0818","0.087","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102489","9.7481","0.0002","17.0985","0.0003","17.9066","0.0003","90","","102.687","0.001","90","","2911.76","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","4","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0528","0.0411","","","0.1035","0.1178","","","","","","1.059","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102490","12.9595","0.0001","16.0569","0.0002","13.3906","0.0002","90","","92.764","0.001","90","","2783.2","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","4","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0604","0.0413","","","0.1012","0.1248","","","","","","1.083","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102501","5.5395","0.0002","8.7722","0.0005","8.7887","0.0005","90","","90.678","0.003","90","","427.04","0.04","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0538","0.0436","","","0.1104","0.117","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102524","6.4942","0.0002","7.334","0.0002","15.1138","0.0004","90","","94.397","0.003","90","","717.73","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Sara Graus; Rosa M. Tejedor; Santiago Uriel; José Luis Serrano; Ibon Alkorta; José Elguero","Crystallization of an Achiral Cyclohexanone Ethylene Ketal in Enantiomorphs and Determination of the Absolute Structure","Journal of the American Chemical Society","2010","132","","7862","7863","10.1021/ja1025062","","","0.71073","MoKα","","0.065","0.0359","","","0.0631","0.0683","","","","","","0.86","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102527","13.835","0.0007","16.048","0.0008","15.987","0.0009","90","","107.519","0.003","90","","3384.9","0.3","110","2","110","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C37 H60 N P2 Ru -","- C37 H60 N P2 Ru -","- C148 H240 N4 P8 Ru4 -","4","2","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.054","0.0429","","","0.094","0.1","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102542","7.473","0.003","12.669","0.005","14.171","0.005","90","","100.228","0.016","90","","1320.3","0.9","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl2 F8 Ir2 -","- C28 H20 Cl2 F8 Ir2 -","- C56 H40 Cl4 F16 Ir4 -","2","1","","Takahiro Nishimura; Yuichi Yasuhara; Takahiro Sawano; Tamio Hayashi","Iridium/Chiral Diene-Catalyzed Asymmetric 1,6-Addition of Arylboroxines to α,β,γ,δ-Unsaturated Carbonyl Compounds","Journal of the American Chemical Society","2010","132","","7872","7873","10.1021/ja1034842","","","0.71075","MoKα","","","0.0236","","","","0.0507","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102548","8.784","0.0007","16.0209","0.0013","9.8555","0.0008","90","","103.218","0.001","90","","1350.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H45 Cl Ir N2 P -","- C25 H45 Cl1.01 Ir N2 P -","- C50 H90 Cl2.02 Ir2 N4 P2 -","2","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0259","0.0241","","","0.0479","0.0484","","","","","","1.072","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102572","9.574","0.005","10.277","0.005","12.803","0.007","90","","102.881","0.007","90","","1228","1.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C54 H64 O14 -","2","1","","Ashok K. Basak; Naoyuki Shimada; William F. Bow; David A. Vicic; Marcus A. Tius","An Organocatalytic Asymmetric Nazarov Cyclization","Journal of the American Chemical Society","2010","132","","8266","8267","10.1021/ja103028r","","","0.71075","MoKα","","0.1157","0.0588","","","0.1033","0.1258","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102574","10.0705","0.0007","7.586","0.0006","11.9468","0.0009","90","","114.183","0.003","90","","832.58","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","TM-148","toste14","","- C17 H24 O6 -","- C17 H24 O6 -","- C34 H48 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.026","0.0253","","","0.0666","0.0672","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4102577","9.6322","0.0006","9.7408","0.0006","14.0139","0.0009","90","","91.456","0.002","90","","1314.43","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","SGS5_151","toste18","","- C29 H40 O6 -","- C29 H40 O6 -","- C58 H80 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.0298","0.0296","","","0.083","0.0832","","","","","","1.094","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102584","7.4766","0.0013","13.2701","0.0018","9.3263","0.0017","90","","111.272","0.01","90","","862.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B9 Be6 K3 O21 -","- B9 Be6 K3 O21 -","- B18 Be12 K6 O42 -","2","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0465","0.0405","","","0.1141","0.1195","","","","","","1.092","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102618","7.1406","0.0003","24.5387","0.0011","11.2924","0.0006","90","","98.649","0.002","90","","1956.16","0.16","171","2","171","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 Br2 O2 -","- C21 H22 Br2 O2 -","- C84 H88 Br8 O8 -","4","2","","Kento Ishida; Hiroyuki Kusama; Nobuharu Iwasawa","Enantioselective Preparation of 8-Oxabicyclo[3.2.1]octane Derivatives via Asymmetric [3+2]-Cycloaddition of Platinum-Containing Carbonyl Ylides with Vinyl Ethers","Journal of the American Chemical Society","2010","132","","8842","8843","10.1021/ja102391t","","","0.71075","MoKα","","0.0456","0.0357","","","0.0959","0.1109","","","","","","0.728","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102630","11.7546","0.0003","8.5825","0.0002","19.6622","0.0006","90","","103.959","0.001","90","","1925.02","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H42 B Fe N O2 -","- C52 H42 B Fe N O2 -","- C104 H84 B2 Fe2 N2 O4 -","2","1","","Giorgio Mirri; Steven D. Bull; Peter N. Horton; Tony D. James; Louise Male; James H. R. Tucker","Electrochemical Method for the Determination of Enantiomeric Excess of Binol Using Redox-Active Boronic Acids as Chiral Sensors","Journal of the American Chemical Society","2010","132","","8903","8905","10.1021/ja103462x","","","0.71073","MoKα","","0.0721","0.0592","","","0.1183","0.1307","","","","","","1.164","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102631","10.1494","0.0002","14.1915","0.0003","24.3721","0.0006","90","","98.372","0.001","90","","3473.03","0.13","296","2","296","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O7 S -","- C34 H48 N2 O7 S -","- C136 H192 N8 O28 S4 -","4","2","","Łukasz Albrecht; Hao Jiang; Gustav Dickmeiss; Björn Gschwend; Signe Grann Hansen; Karl Anker Jørgensen","Asymmetric Formal trans-Dihydroxylation and trans-Aminohydroxylation of α,β-Unsaturated Aldehydes via an Organocatalytic Reaction Cascade","Journal of the American Chemical Society","2010","132","","9188","9196","10.1021/ja103538s","","x-ray","0.71073","MoKα","","0.0567","0.0468","","","0.133","0.1422","","","","","","1.024","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102636","10.9025","0.0004","11.8348","0.0004","13.4097","0.0005","90","","111.181","0.002","90","","1613.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","H2Ir(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)","","","- C34 H62 Ir P2 -","- C34 H62 Ir P2 -","- C68 H124 Ir2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0304","0.0273","","","0.0641","0.0654","","","","","","1.048","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102671","12.5013","0.0009","6.8025","0.0005","14.8285","0.0012","90","","97.901","0.005","90","","1249.05","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Br N2 O5 -","- C28 H26 Br N3 O5 -","- C56 H52 Br2 N6 O10 -","2","1","","Andrew T. Parsons; Austin G. Smith; Andrew J. Neel; Jeffrey S. Johnson","Dynamic Kinetic Asymmetric Synthesis of Substituted Pyrrolidines from Racemic Cyclopropanes and Aldimines: Reaction Development and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","9688","9692","10.1021/ja1032277","","","1.54178","CuKα","","0.177","0.1302","","","0.3042","0.3356","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102673","5.3946","0.0004","7.6287","0.0005","12.9305","0.0008","90","","91.456","0.003","90","","531.97","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C22 H18 Br2 O6 -","2","1","","Ravi P. Singh; Bruce M. Foxman; Li Deng","Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt","Journal of the American Chemical Society","2010","132","","9558","9560","10.1021/ja103331t","","","0.71073","MoKα","","0.0164","0.0157","","0.04","0.0391","0.04","","","","","","1.0342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102680","9.177","0.002","9.864","0.002","12.207","0.003","90","","104.397","0.003","90","","1070.3","0.4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N O3 -","- C21 H39 N O3 -","- C42 H78 N2 O6 -","2","1","","Matthew A. Perry; Matthew D. Morin; Brian W. Slafer; Scott A. Wolckenhauer; Scott D. Rychnovsky","Fully Substituted Carbon Centers by Diastereoselective Spirocyclization: Stereoselective Synthesis of (+)-Lepadiformine C","Journal of the American Chemical Society","2010","132","","9591","9593","10.1021/ja104250b","","","0.71073","MoKα","","0.0614","0.0535","","","0.142","0.1513","","","","","","1.044","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102701","9.5252","0.0019","17.166","0.003","10.174","0.002","90","","93.36","0.03","90","","1660.7","0.6","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 F5 N2 Si -","- C35 H41 F5 N2 Si -","- C70 H82 F10 N4 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0482","0.0432","","","0.1062","0.1087","","","","","","1.072","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102746","8.5073","0.0011","10.3194","0.0011","19.4459","0.0017","90","","95.118","0.004","90","","1700.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H52 Hf2 N2 O2 -","- C38 H52 Hf2 N2 O2 -","- C76 H104 Hf4 N4 O4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0427","0.0373","","","0.0803","0.0833","","","","","","0.999","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102771","12.8899","0.0001","35.5605","0.0003","13.1718","0.0001","90","","115.227","0.0003","90","","5461.77","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H41 B2 F24 N3 -","- C53 H41 B2 F24 N3 -","- C212 H164 B8 F96 N12 -","4","2","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0665","0.0595","","0.1527","0.1441","0.1527","","","","","","1.0001","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102772","10.3497","0.0012","5.6898","0.0006","17.1366","0.0019","90","","90.22","0.002","90","","1009.13","0.19","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C44 H60 N4 O6 -","2","1","","Uttam K. Tambar; Sharon K. Lee; James L. Leighton","Enantioselective (Formal) Aza-Diels-Alder Reactions with Non-Danishefsky-Type Dienes","Journal of the American Chemical Society","2010","132","","10248","10250","10.1021/ja104480g","","","0.71073","MoKα","","0.0555","0.0473","","","0.1162","0.1252","","","","","","1.038","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102773","12.6963","0.0008","5.6982","0.0004","13.9991","0.0009","90","","98.935","0.001","90","","1000.49","0.11","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O3 -","- C20 H27 Br N2 O3 -","- C40 H54 Br2 N4 O6 -","2","1","","Uttam K. Tambar; Sharon K. Lee; James L. Leighton","Enantioselective (Formal) Aza-Diels-Alder Reactions with Non-Danishefsky-Type Dienes","Journal of the American Chemical Society","2010","132","","10248","10250","10.1021/ja104480g","","","0.71073","MoKα","","0.0515","0.038","","","0.0816","0.0869","","","","","","1.028","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102780","11.6476","0.0014","5.0598","0.0008","13.0466","0.0016","90","","90.442","0.003","90","","768.87","0.18","173.1","","173.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl N -","- C20 H16 Cl N -","- C40 H32 Cl2 N2 -","2","1","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.056","","","","0.1344","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102784","17.2825","0.0003","23.4559","0.0004","18.2009","0.0013","90","","114.427","0.008","90","","6717.8","0.7","153.1","","153.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C140 H192 Cu O16 P3 -","- C140 H192 Cu O16 P3 -","- C280 H384 Cu2 O32 P6 -","2","1","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides","Journal of the American Chemical Society","2010","132","","10275","10277","10.1021/ja105141x","","","1.54187","CuKα","","","0.0551","","","","0.1493","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102785","4.8515","0.0002","10.4926","0.0004","15.8543","0.0007","90","","91.852","0.002","90","","806.64","0.06","93.1","","93.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N S -","- C19 H19 N S -","- C38 H38 N2 S2 -","2","1","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides","Journal of the American Chemical Society","2010","132","","10275","10277","10.1021/ja105141x","","","1.54187","CuKα","","","0.0755","","","","0.1993","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102804","6.377","0.0016","9.552","0.002","10.158","0.003","90","","90.19","0.003","90","","618.8","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C22 H38 N2 O10 -","2","1","","Matthew D. Shoulders; Frank W. Kotch; Amit Choudhary; Ilia A. Guzei; Ronald T. Raines","The Aberrance of the 4S Diastereomer of 4-Hydroxyproline","Journal of the American Chemical Society","2010","132","","10857","10865","10.1021/ja103082y","","","0.71073","Mo-Kα","","0.0312","0.0304","","","0.0767","0.0771","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102808","14.3242","0.0006","16.2707","0.0009","19.9354","0.001","90","","110.157","0.003","90","","4361.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C92 H68 Cl12 Fe N12 O4 S0 -","- C92 H68 Cl12 Fe N12 O4 -","- C184 H136 Cl24 Fe2 N24 O8 -","2","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.1089","0.0669","","","0.1513","0.1733","","","","","","1.031","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102811","11.845","0.003","10.783","0.002","12.35","0.003","90","","117.8","0.03","90","","1395.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 Cl3 N O3 -","- C32 H26 Cl3 N O3 -","- C64 H52 Cl6 N2 O6 -","2","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","0.71073","MoKα","","0.0736","0.0636","","","0.1198","0.1265","","","","","","1.098","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102814","11.0774","0.0002","17.1476","0.0003","20.9494","0.0004","90","","102.081","0.001","90","","3891.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 B Br O4 -","- C18 H26 B Br O4 -","- C144 H208 B8 Br8 O32 -","8","4","","Jeannette M. O'Brien; Kang-sang Lee; Amir H. Hoveyda","Enantioselective Synthesis of Boron-Substituted Quaternary Carbons by NHC-Cu-Catalyzed Boronate Conjugate Additions to Unsaturated Carboxylic Esters, Ketones, or Thioesters","Journal of the American Chemical Society","2010","132","","10630","10633","10.1021/ja104777u","","","0.71073","MoKα","","0.0327","0.0292","","","0.0695","0.0709","","","","","","1.043","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102831","9.4996","0.0007","20.2853","0.0015","12.898","0.001","90","","109.21","0.001","90","","2347.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H62 Cl3 N O P2 Pd -","- C51 H62 Cl3 N O P2 Pd -","- C102 H124 Cl6 N2 O2 P4 Pd2 -","2","1","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","0.71073","MoKα","","0.0429","0.0366","","","0.0572","0.0587","","","","","","1.509","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102833","7.721","0.0002","16.4788","0.0004","17.0606","0.0004","90","","99.512","0.001","90","","2140.82","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","2","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","1.54178","CuKα","","0.0281","0.0278","","","0.0735","0.0737","","","","","","1.034","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102843","9.51","0.003","11.941","0.006","23.992","0.008","90","","92.13","0.03","90","","2722.6","1.9","133","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N2 O4 -","- C33 H31 N2 O4 -","- C132 H124 N8 O16 -","4","2","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0698","0.0447","","","0.0892","0.1004","","","","","","1.009","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102844","7.76","0.013","10.958","0.019","15.61","0.03","90","","99.559","0.016","90","","1309","4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N2 O4 -","- C33 H33 N2 O4 -","- C66 H66 N4 O8 -","2","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0306","0.0285","","","0.0685","0.07","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102852","13.2416","0.001","17.3908","0.0013","23.0341","0.0017","90","","90.8","0.001","90","","5303.8","0.7","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C69 H57 Fe O2 P3 -","- C69 H57 Fe O2 P3 -","- C276 H228 Fe4 O8 P12 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0483","0.0407","","","0.0951","0.0988","","","","","","1.019","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102926","9.0552","0.0004","12.8869","0.0006","12.0073","0.0005","90","","103.344","0.002","90","","1363.34","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","EMS-VIII-007D","bertozzi01","","- C36 H30 F6 -","- C36 H30 F6 -","- C72 H60 F12 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0282","0.0274","","","0.0735","0.0744","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102934","6.172","0.005","8.622","0.006","12.85","0.009","90","","101.54","0.009","90","","670","0.9","93.1","","93.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0443","","","","0.1296","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103021","8.50004","0.00012","15.59226","0.00017","11.79506","0.00017","90","","107.735","0.0015","90","","1488.97","0.04","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H32 Cl3 Fe N3 O3 S -","- C28 H32 Cl3 Fe N3 O3 S -","- C56 H64 Cl6 Fe2 N6 O6 S2 -","2","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.0419","0.0399","","","0.1134","0.1148","","","","","","1.12","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103028","15.478","0.003","14.753","0.003","16.184","0.003","90","","95.025","0.004","90","","3681.4","1.2","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H57 Cl9 N4 O5 P2 -","- C84 H57 Cl9 N4 O5 P2 -","- C168 H114 Cl18 N8 O10 P4 -","2","1","","Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi","Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton","Journal of the American Chemical Society","2010","132","","12240","12242","10.1021/ja105945z","","","0.71073","MoKα","","0.073","0.0618","","","0.1501","0.1591","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103030","10.5548","0.0016","6.4174","0.001","15.7227","0.0019","90","","98.09","0.011","90","","1054.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C52 H46 N2 O6 -","2","1","","Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters","Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition","Journal of the American Chemical Society","2010","132","","12222","12225","10.1021/ja106088v","","","0.71073","MoKα","","0.0798","0.0522","","","0.1033","0.1139","","","","","","1.051","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103031","9.4054","0.0013","10.0178","0.0018","13.724","0.002","90","","93.009","0.012","90","","1291.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C54 H68 N4 O10 -","2","1","","Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters","Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition","Journal of the American Chemical Society","2010","132","","12222","12225","10.1021/ja106088v","","","0.71073","MoKα","","0.1144","0.0633","","","0.1065","0.1209","","","","","","1.046","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103068","8.7288","0.0003","11.5872","0.0004","17.581","0.0006","90","","103.441","0.0004","90","","1729.48","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","2","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0328","0.0302","","","0.0783","0.0841","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103069","13.8572","0.0002","7.249","0.0001","15.4928","0.0003","90","","104.936","0.001","90","","1503.69","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu1733","","","- C24 H46 B N3 O2 Si Sn -","- C24 H46 B N3 O2 Si Sn -","- C48 H92 B2 N6 O4 Si2 Sn2 -","2","1","","Ramakrishna Reddy Singidi; Amanda M. Kutney; Judith C. Gallucci; T. V. RajanBabu","Stereoselective Cyclization of Functionalized 1,n-Diynes Mediated by [X-Y] Reagents [X-Y = R3Si-SnR'3 or (R2N)2B-SnR'3]: Synthesis and Properties of Atropisomeric 1,3-Dienes","Journal of the American Chemical Society","2010","132","","13078","13087","10.1021/ja105939v","","x-ray","0.71073","MoKα","","0.041","0.0286","","","0.0556","0.0591","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103116","9.899","0.003","13.034","0.005","15.353","0.007","90","","101.97","0.015","90","","1937.8","1.3","123.1","","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N O2 S -","- C21 H20 Cl N O2 S -","- C84 H80 Cl4 N4 O8 S4 -","4","2","","Ryo Shintani; Momotaro Takeda; Takaoki Tsuji; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Arylation of N-Tosyl Ketimines","Journal of the American Chemical Society","2010","132","","13168","13169","10.1021/ja106114q","","","0.71075","MoKα","","","0.0501","","","","0.061","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103119","10.979","0.002","9.2119","0.0018","11.677","0.002","90","","90.66","0.03","90","","1180.9","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O7 -","- C24 H30 N2 O7 -","- C48 H60 N4 O14 -","2","1","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0892","0.0661","","","0.1245","0.1344","","","","","","1.107","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103122","7.8185","0.0016","8.3688","0.0017","22.032","0.004","90","","95","0.03","90","","1436.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0979","0.0758","","","0.1988","0.219","","","","","","0.908","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103136","8.1081","0.0005","20.472","0.0013","19.2978","0.0013","90","","92.273","0.001","90","","3200.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38 Br N3 O4 -","- C35 H39.5 Br N3 O4 -","- C140 H158 Br4 N12 O16 -","4","2","","Zhiwei Zuo; Weiqing Xie; Dawei Ma","Total Synthesis and Absolute Stereochemical Assignment of (-)-Communesin F","Journal of the American Chemical Society","2010","132","","13226","13228","10.1021/ja106739g","","","0.71073","MoKα","","0.1061","0.0535","","","0.1023","0.1131","","","","","","0.742","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103144","4.9747","0.0003","9.0028","0.0006","16.3273","0.0011","90","","94.265","0.001","90","","729.21","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O -","- C17 H14 Cl N O -","- C34 H28 Cl2 N2 O2 -","2","1","","Eric G. Klauber; Chandra Kanta De; Tejas K. Shah; Daniel Seidel","Merging Nucleophilic and Hydrogen Bonding Catalysis: An Anion Binding Approach to the Kinetic Resolution of Propargylic Amines","Journal of the American Chemical Society","2010","132","","13624","13626","10.1021/ja105337h","","","0.71073","MoKα","","0.044","0.0407","","","0.0909","0.0927","","","","","","1.007","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103158","10.4241","0.0005","10.8197","0.0004","14.1094","0.0006","90","","101.722","0.002","90","","1558.15","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C72 H74 Br2 O12 -","2","1","","Ji Qi; Aaron B. Beeler; Qiang Zhang; John A. Porco, Jr.","Catalytic Enantioselective Alkylative Dearomatization-Annulation: Total Synthesis and Absolute Configuration Assignment of Hyperibone K","Journal of the American Chemical Society","2010","132","","13642","13644","10.1021/ja1057828","","","0.71073","MoKα","","0.0563","0.0376","","","0.0728","0.0798","","","","","","0.938","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103167","6.2989","0.0003","10.875","0.0005","20.2407","0.001","90","","93.892","0.001","90","","1383.3","0.11","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(RP,RC)-1-(t-Butylmethylphosphinothioyl)-3,3-dimethylbutan-2-ol","","- C11 H25 O P S -","- C11 H25 O P S -","- C44 H100 O4 P4 S4 -","4","2","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","x-ray","0.71073","MoKα","","0.0292","0.0276","","","0.0663","0.067","","","","","","1.03","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103170","10.446","0.002","19.955","0.004","12.161","0.002","90","","95.02","0.003","90","","2525.2","0.8","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H79 N5 O9 -","- C50 H79 N5 O9 -","- C100 H158 N10 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.0841","0.0623","","","0.1509","0.1627","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103183","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Lian-Zhu Liu; Jin-Chun Han; Guo-Zong Yue; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A","Journal of the American Chemical Society","2010","132","","13608","13609","10.1021/ja106585n","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103189","19.127","0.013","20.19","0.013","19.788","0.014","90","","93.402","0.023","90","","7628","9","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","09124","","","- C82 H52 B Cu F24 N2 O P2 -","- C82 H52 B Cu F24 N2 O P2 -","- C328 H208 B4 Cu4 F96 N8 O4 P8 -","4","2","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.0949","0.0532","","","0.1183","0.1424","","","","","","1.006","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103217","17.8473","0.0019","11.6887","0.0013","24.162","0.003","90","","90.76","0.006","90","","5040","1","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 S -","- C29 H33 N O3 S -","- C232 H264 N8 O24 S8 -","8","4","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0786","0.055","","","0.1304","0.1426","","","","","","1.099","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103226","8.2075","0.0005","15.1721","0.0009","10.3794","0.0006","90","","93.729","0.005","90","","1289.76","0.13","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C26 H32 B N6 Nb O -","- C26 H32 B N6 Nb O -","- C52 H64 B2 N12 Nb2 O2 -","2","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0443","0.0302","","","0.0508","0.0534","","","","","","0.927","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103240","7.365","0.002","23.739","0.006","9.854","0.003","90","","109.818","0.003","90","","1620.8","0.8","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H38 N4 O4 -","- C38 H38 N4 O4 -","- C76 H76 N8 O8 -","2","1","","Haoxing Wu; Fei Xue; Xue Xiao; Yong Qin","Total Synthesis of (+)-Perophoramidine and Determination of the Absolute Configuration","Journal of the American Chemical Society","2010","132","","14052","14054","10.1021/ja1070043","","","0.71073","MoKα","","0.0494","0.0424","","","0.0813","0.0846","","","","","","1.003","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103258","4.873","0.006","13.133","0.016","13.3","0.016","90","","100.56","","90","","836.7","1.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 Ce O9 -","- C17 H11 Ce O9 -","- C34 H22 Ce2 O18 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.1742","0.0777","","","0.1412","0.1723","","","","","","1.084","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103259","4.88","0.009","13.11","0.03","13.29","0.02","90","","100.58","","90","","836","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H11 Ce N0 O9 -","- C17 H11 Ce O9 -","- C34 H22 Ce2 O18 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.1479","0.0822","","","0.2054","0.2517","","","","","","0.98","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103260","8.664","0.004","26.844","0.013","15.377","0.007","90","","93.593","0.007","90","","3569","3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H64 Cd2 N6 O16 -","- C70 H58 Cd2 N6 O16 -","- C140 H116 Cd4 N12 O32 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.3184","0.0759","","","0.1565","0.2231","","","","","","0.975","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103318","9.84102","0.00009","9.25426","0.00006","10.86112","0.00011","90","","108.426","0.001","90","","938.428","0.015","100","2","100","2","","","","","","","Graham Pattison","4","P 1 21 1","P 2yb","4","","","","- C24 H21 F N2 -","- C24 H21 F N2 -","- C48 H42 F2 N4 -","2","1","","Graham Pattison; Guillaume Piraux; Hon Wai Lam","Enantioselective Rhodium-Catalyzed Addition of Arylboronic Acids to Alkenylheteroarenes","Journal of the American Chemical Society","2010","132","","14373","14375","10.1021/ja106809p","","","1.5418","CuKα","","0.036","0.0352","","","0.0917","0.0925","","","","","","1.02","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103327","9.8089","0.0006","8.4633","0.0005","13.9252","0.0009","90","","108.657","0.003","90","","1095.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 F3 N2 O3 -","- C25 H25 F3 N2 O3 -","- C50 H50 F6 N4 O6 -","2","1","","Lindsay M. Repka; Jane Ni; Sarah E. Reisman","Enantioselective Synthesis of Pyrroloindolines by a Formal [3 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2010","132","","14418","14420","10.1021/ja107328g","","","0.71073","MoKα","","0.0561","0.0393","","","0.0443","0.0463","","","","","","1.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103329","6.891","0.003","13.921","0.005","8.2","0.003","90","","105.658","0.006","90","","757.4","0.5","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.094","0.058","","","0.1217","0.1368","","","","","","1.024","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103354","12.1663","0.0005","7.4545","0.0002","13.529","0.0007","90","","92.885","0.001","90","","1225.44","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1792","0.1177","","","0.1802","0.209","","","","","","1.234","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103414","10.062","0.0014","16.959","0.002","11.5926","0.0016","90","","94.095","0.002","90","","1973.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H66 N Ni P2 -","- C42 H66 N Ni P2 -","- C84 H132 N2 Ni2 P4 -","2","1","","Vlad M. Iluc; Gregory L. Hillhouse","Hydrogen-Atom Abstraction from Ni(I) Phosphido and Amido Complexes Gives Phosphinidene and Imide Ligands","Journal of the American Chemical Society","2010","132","","15148","15150","10.1021/ja107115q","","","0.71073","MoKα","","0.0424","0.0403","","","0.0955","0.0965","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103440","8.8346","0.0008","16.5865","0.0015","8.8592","0.0008","90","","98.22","0.002","90","","1284.8","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 S -","- C28 H31 N3 O3 S -","- C56 H62 N6 O6 S2 -","2","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0623","0.0587","","","0.1502","0.1536","","","","","","1.093","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103442","10.8813","0.0015","9.4783","0.001","13.659","0.004","90","","111.143","0.015","90","","1313.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O10 -","- C25 H34 O10 -","- C50 H68 O20 -","2","1","","Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt","Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides","Journal of the American Chemical Society","2010","132","","15477","15479","10.1021/ja1054065","","","0.71073","MoKα","","0.1376","0.0571","","","0.1167","0.1403","","","","","","0.938","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103486","9.0725","0.0009","14.2346","0.0013","14.3882","0.0013","90","","102.88","0.007","90","","1811.4","0.3","223.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H13 F6 Ir N3 O3 P -","- C15 H13 F6 Ir N3 O3 P -","- C60 H52 F24 Ir4 N12 O12 P4 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0504","","","","0.0823","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103499","12.6407","0.001","8.9507","0.0008","22.2876","0.0017","90","","98.526","0.002","90","","2493.8","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","2","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1397","0.0515","","","0.1027","0.1455","","","","","","1.001","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103502","10.724","0.003","15.122","0.005","11.474","0.004","90","","97.422","0.004","90","","1845.1","1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","10075","","","- C40 H50 Cu N4 O2 -","- C40 H50 Cu N4 O2 -","- C80 H100 Cu2 N8 O4 -","2","1","","Patrick J. Donoghue; Aalo K. Gupta; David W. Boyce; Christopher J. Cramer; William B. Tolman","An Anionic, tetragonal Copper(II) Superoxide Complex","Journal of the American Chemical Society","2010","132","","15869","15871","10.1021/ja106244k","","","0.71073","MoKα","","0.0618","0.0435","","","0.0938","0.1002","","","","","","1","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103529","7.661","0.0015","10.065","0.002","16.229","0.003","90","","91.179","0.011","90","","1251.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C48 H64 N16 O8 -","8","4","","Zhenfeng Zhang; Fang Xie; Jia Jia; Wanbin Zhang","Chiral Bicycle Imidazole Nucleophilic Catalysts: Rational Design, Facile Synthesis, and Successful Application in Asymmetric Steglich Rearrangement","Journal of the American Chemical Society","2010","132","","15939","15941","10.1021/ja109069k","","","1.54178","CuKα","","0.0485","0.0389","","","0.1026","0.1176","","","","","","1.15","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103535","15.8923","0.0009","9.1889","0.0005","23.6454","0.0011","90","","106.187","0.004","90","","3316.1","0.3","153","2","153","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H40 F6 N5 O6 P S2 -","- C25 H40 F6 N5 O6 P S2 -","- C100 H160 F24 N20 O24 P4 S8 -","4","2","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0629","0.0575","","","0.1513","0.1562","","","","","","1.037","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103555","5.7293","0.0003","22.6204","0.0015","22.0844","0.0011","90","","90.022","0.003","90","","2862.1","0.3","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C136 H120 Cl8 O16 -","8","4","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","0.71073","MoKα","","0.1229","0.0644","","","0.1469","0.1803","","","","","","1.018","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103556","6.3628","0.0002","37.8917","0.0009","6.4301","0.0002","90","","110.406","0.001","90","","1452.99","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","2","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0486","0.0401","","","0.1048","0.1118","","","","","","1.042","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103579","10.7412","0.0003","9.4434","0.0002","14.6583","0.0004","90","","92.428","0.001","90","","1485.51","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O6 -","- C29 H45 N5 O6 -","- C58 H90 N10 O12 -","2","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0249","0.0248","","","0.0636","0.0637","","","","","","1.029","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103595","6.3748","0.0003","8.6854","0.0003","14.2983","0.0006","90","","92.48","0.003","90","","790.92","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O2 Si -","- C16 H20 O2 Si -","- C32 H40 O4 Si2 -","2","1","","John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies","Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates","Journal of the American Chemical Society","2010","132","","17211","17215","10.1021/ja106509b","","","1.54178","CuKα","","0.0387","0.0373","","","0.1038","0.105","","","","","","1.071","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103596","8.4047","0.0004","5.5397","0.0003","17.0558","0.0007","90","","91.048","0.003","90","","793.98","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies","Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates","Journal of the American Chemical Society","2010","132","","17211","17215","10.1021/ja106509b","","","1.54178","CuKα","","0.043","0.0338","","","0.091","0.1016","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103624","15.38356","0.00008","16.80979","0.00009","37.8732","0.0002","90","","100.227","0.0005","90","","9638.19","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(para-Fluorophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 F Si2 -","- C51 H73 F Si2 -","- C408 H584 F8 Si16 -","8","4","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","1.54184","CuKα","","0.0519","0.047","","","0.1245","0.1272","","","","","","1.045","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103632","16.7572","0.0004","10.4447","0.0002","19.8127","0.0004","90","","90.835","0.001","90","","3467.33","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H57 Cr N2 Si -","- C38 H57 Cr N2 Si -","- C152 H228 Cr4 N8 Si4 -","4","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0401","0.036","","","0.0895","0.0926","","","","","","1.019","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103780","7.5519","0.0006","7.8449","0.0006","11.5761","0.0008","90","","91.663","0.002","90","","685.52","0.09","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F2 N O2 -","- C15 H17 F2 N O2 -","- C30 H34 F4 N2 O4 -","2","1","","Robert Webster; Christian Böing; Mark Lautens","Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst","Journal of the American Chemical Society","2009","131","","444","445","10.1021/ja807942m","","","1.54178","CuKα","","0.0521","0.052","","","0.1096","0.1098","","","","","","1.16","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103805","3.9103","0.0003","6.914","0.0004","9.9127","0.0006","90","","99.177","0.006","90","","264.57","0.03","200","2","200","","","","","","","","","3","P 1 21 1","P 2yb","4","ammonium 5-azidotetrazolate","ammonium 5-azidotetrazolate","","- C H4 N8 -","- C H4 N8 -","- C2 H8 N16 -","2","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0731","0.0307","","","0.0516","0.0637","","","","","","0.907","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103817","10.304","0.012","8.153","0.006","10.332","0.012","90","","101.67","0.04","90","","850","1.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0458","0.0418","","","0.1145","0.1178","","","","","","1.077","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103819","10.201","0.005","8.152","0.004","10.264","0.005","90","","101.769","0.008","90","","835.6","0.7","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0669","0.0563","","","0.1516","0.16","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103858","12.4139","0.0004","5.3288","0.0002","17.1999","0.0006","90","","106.471","0.001","90","","1091.1","0.07","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O6 -","- C26 H26 O6 -","- C52 H52 O12 -","2","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.051","0.0416","","","0.1042","0.1099","","","","","","1.029","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103906","8.1267","0.0019","12.837","0.003","9.775","0.003","90","","99.493","0.012","90","","1005.8","0.5","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 Fe N -","- C28 H21 Fe N -","- C56 H42 Fe2 N2 -","2","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0268","","","","0.072","","","","","","0.617","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103914","10.291","0.012","7.147","0.005","14.561","0.012","90","","108.581","0.009","90","","1015.1","1.6","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0361","0.0338","","","0.0851","0.0876","","","","","","1.067","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103931","10.4119","0.0012","14.9521","0.0017","12.0963","0.0013","90","","102.436","0.002","90","","1839","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H26 B10 O2 -","- C12 H26 B10 O2 -","- C48 H104 B40 O8 -","4","2","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1184","0.059","","","0.122","0.1513","","","","","","1.005","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103939","6.82677","0.00016","10.9063","0.0002","14.7427","0.0003","90","","97.9763","0.0014","90","","1087.05","0.04","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0378","","","","0.1185","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103962","10.394","0.0007","33.58","0.002","21.7313","0.0015","90","","91.667","0.001","90","","7581.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C63 H96 Br Cl6 N11 O14 -","- C60.997 H93.994 Br N11 O14 -","- C243.988 H375.976 Br4 N44 O56 -","4","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.1003","0.0883","","","0.2418","0.2515","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103965","12.226","0.003","10.535","0.003","20.547","0.005","90","","96.332","0.004","90","","2630.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H77.5 Br N7 O10.75 -","- C47 H70 Br N7 O10 -","- C94 H140 Br2 N14 O20 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.1015","0.0709","","","0.1715","0.1863","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103966","10.3917","0.0003","19.5378","0.0005","17.2657","0.0004","90","","96.8006","0.0004","90","","3480.81","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H103 Br N10 O14 -","- C66 H103 Br N10 O14 -","- C132 H206 Br2 N20 O28 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0368","0.0352","","","0.0943","0.096","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103967","11.2597","0.0016","18.861","0.003","18.883","0.003","90","","92.079","0.002","90","","4007.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65.19 H97.19 Br Cl6.57 N10 O13 -","- C65.19 H97.19 Br Cl6.57 N10 O13 -","- C130.38 H194.38 Br2 Cl13.14 N20 O26 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0799","0.076","","","0.2117","0.2173","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103968","18.2435","0.0011","10.1114","0.0006","21.7817","0.0014","90","","112.287","0.001","90","","3717.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H109 Br N10 O16 -","- C67 H109 Br N10 O16 -","- C134 H218 Br2 N20 O32 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0493","0.0462","","","0.1319","0.1346","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104005","11.3728","0.0004","17.6718","0.0007","13.0181","0.0003","90","","107.735","0.002","90","","2492.01","0.15","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H32 Cl12 N3 P5 -","- C37 H32 Cl12 N3 P5 -","- C74 H64 Cl24 N6 P10 -","2","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.1052","0.0723","","","0.1921","0.2165","","","","","","1.036","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104079","5.916","0.004","7.695","0.005","21.225","0.013","90","","92.434","0.008","90","","965.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C44 H42 Br2 O6 -","2","1","","Ismail Ibrahem; Miao Yu; Richard R. Schrock; Amir H. Hoveyda","Highly Z- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Catalyzed by Stereogenic-at-Mo Adamantylimido Complexes","Journal of the American Chemical Society","2009","131","","3844","3845","10.1021/ja900097n","","","0.71073","MoKα","","0.0438","0.0378","","","0.0899","0.0931","","","","","","1.011","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104083","12.8366","0.0006","33.108","0.001","6.2214","0.0003","90","","99.818","0.003","90","","2605.33","0.19","","","95","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 I6 N13 O2 Zn3 -","- C42 I6 N13 O2 Zn3 -","- C84 I12 N26 O4 Zn6 -","2","1","","Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita","Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition","Journal of the American Chemical Society","2009","131","","3860","3861","10.1021/ja9005145","powder diffraction","","0.99967","Synchrotron","","","0.0262","","","0.0364","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104091","9.439","0.0019","17.257","0.004","13.365","0.003","90","","93.96","0.03","90","","2171.8","0.8","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H64 N2 O7 Ru -","- C41 H52 N2 O7 Ru -","- C82 H104 N4 O14 Ru2 -","2","1","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0731","0.0497","","","0.1118","0.1194","","","","","","0.816","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104110","9.1637","0.0012","7.3171","0.0008","10.012","0.0014","90","","99.744","0.01","90","","661.64","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 Br N O -","- C13 H18 Br N O -","- C26 H36 Br2 N2 O2 -","2","1","","Jian-Hua Xie; Sheng Liu; Wei-Ling Kong; Wen-Ju Bai; Xiao-Chen Wang; Li-Xin Wang; Qi-Lin Zhou","Highly Enantioselective and Diastereoselective Synthesis of Chiral Amino Alcohols by Ruthenium-Catalyzed Asymmetric Hydrogenation of α-Amino Aliphatic Ketones","Journal of the American Chemical Society","2009","131","","4222","4223","10.1021/ja901058u","","","0.7107","MoKα","","0.0601","0.0273","","","0.0509","0.0594","","","","","","0.861","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104111","9.232","0.003","9.528","0.003","11.026","0.004","90","","93.783","0.005","90","","967.8","0.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br N2 O2 S -","- C19 H23 Br N2 O2 S -","- C38 H46 Br2 N4 O4 S2 -","2","1","","Jian-Hua Xie; Sheng Liu; Wei-Ling Kong; Wen-Ju Bai; Xiao-Chen Wang; Li-Xin Wang; Qi-Lin Zhou","Highly Enantioselective and Diastereoselective Synthesis of Chiral Amino Alcohols by Ruthenium-Catalyzed Asymmetric Hydrogenation of α-Amino Aliphatic Ketones","Journal of the American Chemical Society","2009","131","","4222","4223","10.1021/ja901058u","","","0.7107","MoKα","","0.0378","0.0255","","","0.0472","0.0492","","","","","","0.856","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104159","10.9272","0.0012","19.943","0.002","11.0323","0.0011","90","","110.217","0.006","90","","2256.1","0.4","101","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-O-Benzyl-1,6:3,4-dianhydro-β-D-altropyranose","","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","4","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","0.71073","MoKα","","0.0961","0.082","","","0.2267","0.2494","","","","","","1.098","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104235","6.436","0.003","11.931","0.006","8.232","0.004","90","","98.125","0.006","90","","625.8","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0796","0.0615","","","0.1543","0.1691","","","","","","1.08","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104236","10.16","0.005","6.033","0.003","11.43","0.006","90","","104.658","0.006","90","","677.8","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0467","0.0432","","","0.1075","0.1106","","","","","","1.07","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104237","8.21","0.003","7.441","0.002","12.614","0.004","90","","95.165","0.005","90","","767.5","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 I N O3 -","- C15 H16 I N O3 -","- C30 H32 I2 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.044","0.0425","","","0.1075","0.1089","","","","","","1.056","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104238","7.597","0.003","8.055","0.003","14.471","0.006","90","","95.477","0.009","90","","881.5","0.6","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C42 H42 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0788","0.0554","","","0.1255","0.14","","","","","","1.054","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104255","7.4443","0.0003","20.6728","0.0009","12.0342","0.0005","90","","93.972","0.002","90","","1847.55","0.13","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","B259","(1R,3R,4R,6R)-4,6-Bis(tert-butyldimethylsilyloxy)cyclohexane-1,3-diyl Bis(4-bromobenzoate)","","- C32 H46 Br2 O6 Si2 -","- C32 H46 Br2 O6 Si2 -","- C64 H92 Br4 O12 Si4 -","2","1","","Sang Min Lim; Nicholas Hill; Andrew G. Myers","A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol","Journal of the American Chemical Society","2009","131","","5763","5765","10.1021/ja901283q","","","0.71073","MoKα","","0.0351","0.0284","","","0.0691","0.0718","","","","","","1.033","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104347","10.7597","0.0002","12.9099","0.0002","19.7051","0.0003","90","","100.165","0.001","90","","2694.21","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H42 Mg Si4 -","- C18 H42 Mg Si4 -","- C72 H168 Mg4 Si16 -","4","2","","Stephen C. Chmely; Christin N. Carlson; Timothy P. Hanusa; Arnold L. Rheingold","Classical versus Bridged Allyl Ligands in Magnesium Complexes: The Role of Solvent","Journal of the American Chemical Society","2009","131","","6344","6345","10.1021/ja900998t","","","1.54178","CuKα","","0.0292","0.0273","","","0.0695","0.0711","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104394","7.1332","0.0002","9.229","0.0003","13.0111","0.0004","90","","103.216","0.001","90","","833.87","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H14 Cl N -","- C22 H14 Cl N -","- C44 H28 Cl2 N2 -","2","1","","Jorge García-Fortanet; Florian Kessler; Stephen L. Buchwald","Palladium-Catalyzed Asymmetric Dearomatization of Naphthalene Derivatives","Journal of the American Chemical Society","2009","131","","6676","6677","10.1021/ja9025193","","","1.54178","CuKα","","0.0226","0.0224","","","0.0594","0.0595","","","","","","1.038","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104396","10.4928","0.0003","5.1755","0.0001","11.2885","0.0003","90","","112.412","0.001","90","","566.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Christopher J. Morten; Timothy F. Jamison","Water Overcomes Methyl Group Directing Effects in Epoxide-Opening Cascades","Journal of the American Chemical Society","2009","131","","6678","6679","10.1021/ja9025243","","","1.54178","CuKα","","0.0283","0.0281","","","0.0839","0.0842","","","","","","1.102","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104416","8.404","0.0009","5.9967","0.0006","11.1389","0.001","90","","106.366","0.004","90","","538.61","0.09","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O2 S -","- C12 H14 O2 S -","- C24 H28 O4 S2 -","2","1","","Matthew M. Coulter; Peter K. Dornan; Vy M. Dong","Rh-Catalyzed Intramolecular Olefin Hydroacylation: Enantioselective Synthesis of Seven- and Eight-Membered Heterocycles","Journal of the American Chemical Society","2009","131","","6932","6933","10.1021/ja901915u","","","0.71073","MoKα","","0.0665","0.0457","","","0.0979","0.1103","","","","","","1.063","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104421","12.9468","0.001","10.525","0.0008","20.5386","0.0018","90","","93.473","0.005","90","","2793.6","0.4","193","2","193","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C57 H56 B Cl3 F4 Fe Ni O P4 S2 -","- C57 H56 B Cl3 F4 Fe Ni O P4 S2 -","- C114 H112 B2 Cl6 F8 Fe2 Ni2 O2 P8 S4 -","2","1","","Bryan E. Barton; C. Matthew Whaley; Thomas B. Rauchfuss; Danielle L. Gray","Nickel-Iron Dithiolato Hydrides Relevant to the [NiFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2009","131","","6942","6943","10.1021/ja902570u","","","0.71073","MoKα","","0.0854","0.0596","","","0.132","0.145","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104448","11.0868","0.0016","10.1911","0.0014","13.851","0.002","90","","102.926","0.005","90","","1525.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 N3 Ni O3 -","- C34 H33 Cl2 N3 Ni O3 -","- C68 H66 Cl4 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.042","0.0405","","","0.1102","0.1117","","","","","","1.002","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104451","10.3867","0.0016","8.1085","0.0012","17.113","0.002","90","","95.665","0.005","90","","1434.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 N3 Ni O3 -","- C34 H33 N3 Ni O3 -","- C68 H66 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.027","0.0264","","","0.0694","0.0701","","","","","","1.009","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104452","10.1519","0.0014","9.4117","0.0012","13.988","0.002","90","","107.886","0.005","90","","1271.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N3 Ni O3 -","- C30 H33 N3 Ni O3 -","- C60 H66 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0269","0.0262","","","0.0668","0.0673","","","","","","1.006","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104454","10.453","0.002","9.1137","0.0016","13.473","0.002","90","","97.062","0.005","90","","1273.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 Ni O3 -","- C29 H31 N3 Ni O3 -","- C58 H62 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0283","0.0273","","","0.0675","0.0681","","","","","","1.026","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104455","11.4816","0.0007","20.3721","0.0013","12.4196","0.0008","90","","115.692","0.001","90","","2617.8","0.3","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H58 F3 Ir N O5 P S -","- C60 H58 F3 Ir N O5 P S -","- C120 H116 F6 Ir2 N2 O10 P2 S2 -","2","1","","Sherzod T. Madrahimov; Dean Markovic; John F. Hartwig","The Allyl Intermediate in Regioselective and Enantioselective Iridium-Catalyzed Asymmetric Allylic Substitution Reactions","Journal of the American Chemical Society","2009","131","","7228","7229","10.1021/ja902609g","","","0.71073","MoKα","","0.0224","0.0197","","","0.0468","0.0479","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104456","11.84","0.005","20.679","0.009","12.619","0.006","90","","117.75","0.006","90","","2734","2","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H60 F6 Ir N O2 P Sb -","- C60 H60 F6 Ir N O2 P Sb -","- C120 H120 F12 Ir2 N2 O4 P2 Sb2 -","2","1","","Sherzod T. Madrahimov; Dean Markovic; John F. Hartwig","The Allyl Intermediate in Regioselective and Enantioselective Iridium-Catalyzed Asymmetric Allylic Substitution Reactions","Journal of the American Chemical Society","2009","131","","7228","7229","10.1021/ja902609g","","","0.71073","MoKα","","0.0766","0.0492","","","0.1158","0.1208","","","","","","0.906","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104460","14.182","0.004","20.088","0.006","28.868","0.009","90","","96.456","0.006","90","","8172","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H88 N4 O20 Rh2 -","- C60 H64 N4 O18 Rh2 -","- C240 H256 N16 O72 Rh8 -","4","2","","Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox","Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters","Journal of the American Chemical Society","2009","131","","7230","7231","10.1021/ja9026852","","","0.71073","MoKα","","0.1229","0.0718","","","0.1053","0.1173","","","","","","1.02","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104461","11.961","0.004","5.5326","0.0019","15.785","0.005","90","","109.747","0.005","90","","983.2","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox","Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters","Journal of the American Chemical Society","2009","131","","7230","7231","10.1021/ja9026852","","","0.71073","MoKα","","0.043","0.0374","","","0.1015","0.1123","","","","","","1.048","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104471","11.322","0.002","19.295","0.003","11.91","0.002","90","","111.634","0.004","90","","2418.6","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H54 Cl N4 O3 P -","- C58 H54 Cl N4 O3 P -","- C116 H108 Cl2 N8 O6 P2 -","2","1","","Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi","Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases","Journal of the American Chemical Society","2009","131","","7242","7243","10.1021/ja903271t","","","0.71073","MoKα","","0.0482","0.0443","","","0.1118","0.1151","","","","","","1.038","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104501","10.45","0.0003","33.847","0.001","12.9622","0.0004","90","","97.02","0.002","90","","4550.4","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H64 Br2 N2 O2 Si W -","- C47 H64 Br2 N2 O2 Si W -","- C188 H256 Br8 N8 O8 Si4 W4 -","4","2","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","1.54178","CuKα","","0.0261","0.0255","","","0.0615","0.0618","","","","","","1.032","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104522","8.29","0.0017","24.948","0.005","10.626","0.002","90","","106.86","0.03","90","","2103.2","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H62 Cl2 F6 P2 Pd2 -","- C38 H61 Cl2 F6 P2 Pd2 -","- C76 H122 Cl4 F12 P4 Pd4 -","2","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.0514","0.0427","","","0.1089","0.1146","","","","","","1.015","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104525","7.4886","0.0009","7.9502","0.001","11.2672","0.0014","90","","91.095","0.002","90","","670.68","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0315","0.0293","","","0.0771","0.0784","","","","","","1.046","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104527","6.1361","0.0009","20.097","0.003","25.013","0.004","90","","91.633","0.002","90","","3083.3","0.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 Si -","- C16 H21 N O2 Si -","- C128 H168 N8 O16 Si8 -","8","4","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0772","0.0607","","","0.1445","0.1523","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104528","11.071","0.0012","6.1798","0.0007","24.568","0.003","90","","102.43","0.002","90","","1641.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 Si -","- C17 H23 N O2 Si -","- C68 H92 N4 O8 Si4 -","4","2","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.6892","synchrotron","","0.06","0.0534","","","0.1167","0.1191","","","","","","0.935","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104544","6.1776","0.0007","10.4112","0.0012","18.857","0.002","90","","92.794","0.003","90","","1211.4","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N O4 -","- C23 H41 N O4 -","- C46 H82 N2 O8 -","2","1","","Michael H. Kerrigan; Sang-Jin Jeon; Young K. Chen; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","One-Pot Multicomponent Coupling Methods for the Synthesis of Diastereo- and Enantioenriched (Z)-Trisubstituted Allylic Alcohols","Journal of the American Chemical Society","2009","131","","8434","8445","10.1021/ja809821x","","","0.71069","MoKα","","0.0639","0.0342","","","0.0661","0.0787","","","","","","0.909","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104583","10.8793","0.0019","17.55","0.003","11.456","0.002","90","","100.646","0.002","90","","2149.7","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 S -","- C25 H29 N2 O2 S -","- C100 H116 N8 O8 S4 -","4","2","","Amir H. Hoveyda; Pamela J. Lombardi; Robert V. O'Brien,; Adil R. Zhugralin","H-Bonding as a Control Element in Stereoselective Ru-Catalyzed Olefin Metathesis","Journal of the American Chemical Society","2009","131","","8378","8379","10.1021/ja9030903","","","","","","","","","","","","","","","","","","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104584","6.2315","0.0012","8.0843","0.0015","10.0707","0.0019","90","","92.451","0.003","90","","506.87","0.17","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 Br O2 -","- C10 H13 Br O2 -","- C20 H26 Br2 O4 -","2","1","","Sang Young Yun; Jun-Cheng Zheng; Daesung Lee","Stereoelectronic Effect for the Selectivity in C-H Insertion of Alkylidene Carbenes and Its Application to the Synthesis of Platensimycin","Journal of the American Chemical Society","2009","131","","8413","8415","10.1021/ja903526g","","","0.71073","MoKα","","0.0317","0.0273","","","0.0768","0.0831","","","","","","0.539","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104591","11.3593","0.0011","9.6066","0.0009","12.1731","0.0012","90","","109.728","0.002","90","","1250.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C60 H70 N2 O6 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0427","0.0394","","","0.1054","0.109","","","","","","1.038","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104593","14.0078","0.0003","5.5406","0.0001","14.8626","0.0003","90","","117.008","0.001","90","","1027.71","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-bezoyl protected lactam","","","- C23 H17 Br2 N O3 -","- C23 H17 Br2 N O3 -","- C46 H34 Br4 N2 O6 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0437","0.0323","","","0.0712","0.1045","","","","","","1.047","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104609","6.3338","0.0001","15.4559","0.0003","7.2741","0.0002","90","","108.775","0.001","90","","674.2","0.03","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","2-Acetamido-1,6-anhydro-4-O-benzyl-2-deoxy-3-O- [(1R)-1-(methoxycarbonyl)ethyl]-β-D-glucopyranose","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C24 H38 N2 O14 -","2","1","","Mijoon Lee; Weilie Zhang; Dusan Hesek; Bruce C. Noll; Bill Boggess; Shahriar Mobashery","Bacterial AmpD at the Crossroads of Peptidoglycan Recycling and Manifestation of Antibiotic Resistance","Journal of the American Chemical Society","2009","131","","8742","8743","10.1021/ja9025566","","x-ray","1.54178","CuKα","","0.0264","0.0264","","","0.0684","0.0684","","","","","","1.06","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104634","7.812","0.002","5.9774","0.0019","15.107","0.005","90","","100.213","0.006","90","","694.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O3 -","- C15 H15 Br O3 -","- C30 H30 Br2 O6 -","2","1","","Ting Yang; Alessandro Ferrali; Filippo Sladojevich; Leonie Campbell; Darren J. Dixon","Brønsted Base/Lewis Acid Cooperative Catalysis in the Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2009","131","","9140","9141","10.1021/ja9004859","","","0.71073","MoKα","","0.0446","0.0368","","","0.0812","0.104","","","","","","1.008","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104635","9.5181","0.0017","8.1566","0.0016","20.525","0.004","90","","101.954","0.004","90","","1558.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br N2 O3 S -","- C15 H15 Br N2 O3 S -","- C60 H60 Br4 N8 O12 S4 -","4","2","","Ting Yang; Alessandro Ferrali; Filippo Sladojevich; Leonie Campbell; Darren J. Dixon","Brønsted Base/Lewis Acid Cooperative Catalysis in the Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2009","131","","9140","9141","10.1021/ja9004859","","","0.71073","MoKα","","0.0511","0.0384","","","0.0695","0.073","","","","","","0.895","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104636","9.0724","0.0005","16.39","0.0008","9.9887","0.0005","90","","115.326","0.0005","90","","1342.53","0.12","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Mo O2 Si -","- C30 H34 Mo O2 Si -","- C60 H68 Mo2 O4 Si2 -","2","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0307","","","","0.0747","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104644","12.0832","0.0003","12.9599","0.0002","20.2495","0.0006","90","","95.4158","0.0008","90","","3156.86","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","2","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.088","0.044","","","0.078","0.089","","","","","","1.004","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104647","10.4714","0.0009","8.9475","0.0006","13.4056","0.0016","90","","111.345","0.005","90","","1169.85","0.19","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.058","0.049","","","0.123","0.129","","","","","","1.035","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104654","14.6514","0.0003","8.15258","0.00015","27.4291","0.0005","90","","105.491","","90","","3157.3","0.1","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br N2 O3 -","- C17 H15 Br N2 O3 -","- C136 H120 Br8 N16 O24 -","8","4","","Yuko Kato; Makoto Furutachi; Zhihua Chen; Harunobu Mitsunuma; Shigeki Matsunaga; Masakatsu Shibasaki","A Homodinuclear Mn(III)2-Schiff Base Complex for Catalytic Asymmetric 1,4-Additions of Oxindoles to Nitroalkenes","Journal of the American Chemical Society","2009","131","","9168","9169","10.1021/ja903566u","","","1.54187","CuKα","","","0.0524","","","","0.1325","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104658","7.682","0.0002","16.375","0.0005","10.8454","0.0003","90","","93.972","0.002","90","","1361","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N O4 -","- C35 H35 N O4 -","- C70 H70 N2 O8 -","2","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","1.54178","CuKα","","0.0303","0.0282","","","0.075","0.0772","","","","","","1.021","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104698","10.1185","0.0006","12.5498","0.0006","19.3212","0.0014","90","","102.632","0.005","90","","2394.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H54 F12 N6 O P2 Ru -","- C44 H54 F12 N6 O P2 Ru -","- C88 H108 F24 N12 O2 P4 Ru2 -","2","1","","Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers","Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes","Journal of the American Chemical Society","2009","131","","9602","9603","10.1021/ja9031665","","","0.71073","MoKα","","0.075","0.053","","","0.1026","0.1098","","","","","","0.952","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104702","10.6583","0.0004","9.8999","0.0004","12.4412","0.0007","90","","109.694","0.0019","90","","1235.96","0.1","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 N2 O P -","- C30 H27 N2 O P -","- C60 H54 N4 O2 P2 -","2","1","","Liang Yin; Motomu Kanai; Masakatsu Shibasaki","Nucleophile Generation via Decarboxylation: Asymmetric Construction of Contiguous Trisubstituted and Quaternary Stereocenters through a Cu(I)-Catalyzed Decarboxylative Mannich-Type Reaction","Journal of the American Chemical Society","2009","131","","9610","9611","10.1021/ja9036675","","","1.54187","CuKα","","","0.0581","","","","0.139","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104707","6.245","0.003","8.43","0.01","20.3","0.01","90","","90.82","0.03","90","","1068.6","1.5","","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrathiafulvalene-2-carboxylic acid_ammonium salt","","- C7 H7 N O2 S4 -","- C7 H7 N O2 S4 -","- C28 H28 N4 O8 S16 -","4","2","","Yuka Kobayashi; Mayu Yoshioka; Kazuhiko Saigo; Daisuke Hashizume; Takashi Ogura","Hydrogen-Bonding-Assisted Self-Doping in Tetrathiafulvalene (TTF) Conductor","Journal of the American Chemical Society","2009","131","","9995","10002","10.1021/ja809425b","powder diffraction","","1.3038","synchrotron","","0.0404","","","","","","","0.0913","4.7024","","","","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104727","7.3945","0.0003","17.416","0.0006","8.8582","0.0003","90","","90.934","0.001","90","","1140.63","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","2","","Alexander M. Taylor; Ryan A. Altman; Stephen L. Buchwald","Palladium-Catalyzed Enantioselective α-Arylation and α-Vinylation of Oxindoles Facilitated by an Axially Chiral P-Stereogenic Ligand","Journal of the American Chemical Society","2009","131","","9900","9901","10.1021/ja903880q","","","1.54178","CuKα","","0.0307","0.0307","","","0.0848","0.0848","","","","","","1.095","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104770","7.866","0.0003","6.7057","0.0002","14.2336","0.0005","90","","105.39","0.001","90","","723.86","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0502","0.044","","","0.1144","0.1218","","","","","","1.063","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104773","10.7125","0.0015","7.4605","0.0009","11.5388","0.0017","90","","91.512","0.004","90","","921.9","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C40 H46 N2 O6 S2 -","2","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0452","0.0395","","","0.0983","0.1021","","","","","","1.035","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104782","9.2507","0.0019","8.0261","0.0016","22.16","0.004","90","","101.61","0.03","90","","1611.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","2","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.076","0.0477","","","0.0854","0.0963","","","","","","0.995","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104784","10.8456","0.0004","16.0031","0.0005","11.1904","0.0005","90","","96.834","0.002","90","","1928.44","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H40 O3 P2 -","- C51 H40 O3 P2 -","- C102 H80 O6 P4 -","2","1","","Xiaotao Pu; Xiangbing Qi; Joseph M. Ready","Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides","Journal of the American Chemical Society","2009","131","","10364","10365","10.1021/ja9041127","","","1.5418","CuKα","","0.0829","0.0583","","","0.1005","0.1219","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104790","8.4421","0.0017","10.189","0.002","12.446","0.003","90","","104.63","0.03","90","","1035.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C48 H40 Br2 N2 O4 -","2","1","","Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom","Journal of the American Chemical Society","2009","131","","10390","10391","10.1021/ja904534t","","","0.71073","MoKα","","0.0773","0.0371","","","0.0503","0.0586","","","","","","0.651","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104791","7.1582","0.0014","12.936","0.003","11.286","0.002","90","","91.01","0.03","90","","1044.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C52 H50 N2 O8 -","2","1","","Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom","Journal of the American Chemical Society","2009","131","","10390","10391","10.1021/ja904534t","","","0.71073","MoKα","","0.0437","0.0375","","","0.0857","0.0973","","","","","","1.126","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104834","5.1506","0.0005","30.99","0.003","10.7824","0.0011","90","","90.789","0.007","90","","1720.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","SW-V-122d","sarpong05","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","2","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","1.54178","CuKα","","0.049","0.0414","","","0.0969","0.1007","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104851","9.9726","0.0003","7.6892","0.0002","11.052","0.0004","90","","102.604","0.002","90","","827.06","0.04","296","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 B F10 N3 -","- C14 H12 B F10 N3 -","- C28 H24 B2 F20 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0543","0.0388","","","0.0899","0.1026","","","","","","1.018","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104852","9.9082","0.0003","7.7653","0.0003","11.0984","0.0004","90","","106.157","0.002","90","","820.19","0.05","296","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 B F10 N3 -","- C14 H12 B F10 N3 -","- C28 H24 B2 F20 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0753","0.0518","","","0.1283","0.1502","","","","","","1.044","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104853","9.9143","0.0003","7.5803","0.0002","11.2293","0.0003","90","","107.608","0.001","90","","804.38","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 B F9 N3 -","- C14 H13 B F9 N3 -","- C28 H26 B2 F18 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0863","0.0464","","","0.0778","0.0906","","","","","","1.013","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104854","10.8932","0.0008","7.6975","0.0005","16.135","0.0014","90","","98.254","0.004","90","","1338.91","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H6 B F10 N3 -","- C11 H6 B F10 N3 -","- C44 H24 B4 F40 N12 -","4","2","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.081","0.0468","","","0.1013","0.123","","","","","","0.998","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104857","10.2743","0.0002","33.9203","0.0007","13.2436","0.0003","90","","96.521","0.002","90","","4585.63","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H64 Br2 Mo N2 O2 Si -","- C47 H64 Br2 Mo N2 O2 Si -","- C188 H256 Br8 Mo4 N8 O8 Si4 -","4","2","","Smaranda C. Marinescu; Richard R. Schrock; Peter Müller; Amir H. Hoveyda","Ethenolysis Reactions Catalyzed by Imido Alkylidene Monoaryloxide Monopyrrolide (MAP) Complexes of Molybdenum","Journal of the American Chemical Society","2009","131","","10840","10841","10.1021/ja904786y","","","1.54178","CuKα","","0.0541","0.0455","","","0.1062","0.111","","","","","","1.02","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104858","6.6601","0.0014","11.827","0.003","9.66","0.002","90","","97.035","0.003","90","","755.2","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C34 H52 O8 -","2","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.0432","0.0351","","","0.0868","0.0906","","","","","","1.054","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104869","7.8202","0.0002","10.7146","0.0003","23.3533","0.0006","90","","91.2291","0.0016","90","","1956.33","0.09","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","2","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.0462","","","","0.1081","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104886","12.2424","0.001","14.6791","0.0011","18.6713","0.0015","90","","90.998","0.004","90","","3354.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pd(Br)(Mes)(CNArDipp2)2","","","- C75 H95 Br N2 O Pd -","- C75 H95 Br N2 O Pd -","- C150 H190 Br2 N4 O2 Pd2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","1.54178","CuKα","","0.0305","0.0273","","","0.059","0.0603","","","","","","0.995","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104888","12.285","0.0004","16.4373","0.0006","13.7484","0.0005","90","","95.637","0.002","90","","2762.82","0.17","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","(O2)Pd(CNArDipp2)2","","","- C62 H74 N2 O2 Pd -","- C62 H74 N2 O2 Pd -","- C124 H148 N4 O4 Pd2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","1.54178","CuKα","","0.0311","0.0268","","","0.0622","0.0786","","","","","","1.035","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104890","7.0684","0.0007","23.052","0.0015","18.1015","0.0015","90","0.005","90.643","0.004","90","0.005","2949.3","0.4","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br N3 O3 -","- C13 H14 Br N3 O3 -","- C104 H112 Br8 N24 O24 -","8","4","","Christopher F. Bender; Francis K. Yoshimoto; Christopher L. Paradise; Jef K. De Brabander","A Concise Synthesis of Berkelic Acid Inspired by Combining the Natural Products Spicifernin and Pulvilloric Acid","Journal of the American Chemical Society","2009","131","","11350","11352","10.1021/ja905387r","","","0.71069","MoKα","","0.1396","0.0636","","","0.11","0.138","","","","","","1.002","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104893","9.1713","0.0002","10.9023","0.0003","11.3064","0.0003","90","","100.156","0.001","90","","1112.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 B2 F8 N4 -","- C19 H24 B2 F8 N4 -","- C38 H48 B4 F16 N8 -","2","1","","Israel Fernández; C. Adam Dyker; Alan DeHope; Bruno Donnadieu; Gernot Frenking; Guy Bertrand","Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(π-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes","Journal of the American Chemical Society","2009","131","","11875","11881","10.1021/ja903396e","","","0.71073","MoKα","","0.0362","0.0344","","","0.0927","0.0943","","","","","","1.043","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104895","11.5766","0.0005","7.3289","0.0003","14.242","0.0007","90","","100.941","0.001","90","","1186.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21.75 H20.5 Cl1.5 N3 O5 S2 -","- C21.74 H20.48 Cl1.48 N3 O5 S2 -","- C43.48 H40.96 Cl2.96 N6 O10 S4 -","2","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0525","0.0461","","","0.1083","0.1121","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104911","15.154","0.004","8.887","0.002","15.525","0.003","90","","93.895","0.005","90","","2086","0.8","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium (R)-1,1'-binaphthyl-2,2'-disulfonate","","","- C20 H12 K2 O7.5 S2 -","- C20 H12 K2 O7.5 S2 -","- C80 H48 K8 O30 S8 -","4","2","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2009","131","","12015","12015","","","","0.71073","MoKα","","0.06","0.0455","","","0.1003","0.1073","","","","","","1.012","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4104915","11.1197","0.0003","5.5098","0.0002","13.7464","0.0004","90","","103.168","0.002","90","","820.06","0.04","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O8 S -","- C14 H16 N2 O8 S -","- C28 H32 N4 O16 S2 -","2","1","","Grant T. Rice; M. Christina White","Allylic C-H Amination for the Preparation of syn-1,3-Amino Alcohol Motifs","Journal of the American Chemical Society","2009","131","","11707","11711","10.1021/ja9054959","","","0.71073","MoKα","","0.0483","0.0355","","","0.0708","0.075","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104939","10.256","0.0012","41.907","0.005","18.538","0.002","90","","97.396","0.003","90","","7901.3","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H80 B F24 Ir N O4 P -","- C81 H80 B F24 Ir N O4 P -","- C324 H320 B4 F96 Ir4 N4 O16 P4 -","4","2","","Javier Mazuela; J. Johan Verendel; Mercedes Coll; Benjamín Schäffner; Armin Börner; Pher G. Andersson; Oscar Pàmies; Montserrat Diéguez","Iridium Phosphite-Oxazoline Catalysts for the Highly Enantioselective Hydrogenation of Terminal Alkenes","Journal of the American Chemical Society","2009","131","","12344","12353","10.1021/ja904152r","","","0.71073","MoKα","","0.0648","0.0525","","","0.1289","0.1342","","","","","","1.017","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4104945","9.671","0.002","23.135","0.005","10.267","0.002","90","0.0014","95.5892","0.0015","90","0.0014","2286.2","0.8","93.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H62 F6 Mn N4 O4 -","- C44 H62 F6 Mn N4 O4 -","- C88 H124 F12 Mn2 N8 O8 -","2","1","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0499","","","","0.1418","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104947","10.914","0.002","7.502","0.002","11.151","0.003","90","","112.923","0.007","90","","840.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-O-acetyl-2-azido-3-O-benzyl-2-deoxy-1-lactone‒ D-mannopyranosyluronate","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","","Marthe T. C. Walvoort; Gerrit Lodder; Jaroslaw Mazurek; Herman S. Overkleeft; Jeroen D. C. Codée; Gijsbert A. van der Marel","Equatorial Anomeric Triflates from Mannuronic Acid Esters","Journal of the American Chemical Society","2009","131","","12080","12081","10.1021/ja905008p","","","0.71073","MoKα","","0.0561","0.043","","","0.0926","0.0999","","","","","","1.039","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104948","10.989","0.002","7.718","0.002","11.376","0.003","90","","115.766","0.007","90","","868.9","0.4","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-O-acetyl-2-azido-3-O-benzyl-2-deoxy‒ 1-lactone-D-mannopyranosyluronate","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","","Marthe T. C. Walvoort; Gerrit Lodder; Jaroslaw Mazurek; Herman S. Overkleeft; Jeroen D. C. Codée; Gijsbert A. van der Marel","Equatorial Anomeric Triflates from Mannuronic Acid Esters","Journal of the American Chemical Society","2009","131","","12080","12081","10.1021/ja905008p","","","0.71073","MoKα","","0.0419","0.0338","","","0.0861","0.0909","","","","","","1.042","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104998","7.1471","0.0005","12.6152","0.0008","9.9519","0.0007","90","","91.73","0.003","90","","896.88","0.11","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H26 Cu N2 O14 Se2 -","- C6 H26 Cu N2 O14 Se2 -","- C12 H52 Cu2 N4 O28 Se4 -","2","1","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71075","MoKα","","0.0289","0.0281","","","0.0642","0.0648","","","","","","1.063","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4105000","7.1403","0.0005","12.6022","0.0009","9.9441","0.0006","90","","91.936","0.002","90","","894.29","0.1","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H12 Cu D14 N2 O14 Se2 -","- C6 H12 Cu D14 N2 O14 Se2 -","- C12 H24 Cu2 D28 N4 O28 Se4 -","2","1","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71075","MoKα","","0.0276","0.0266","","","0.0697","0.0703","","","","","","1.047","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105071","11.8387","0.0006","4.987","0.0003","12.2899","0.0006","90","","107.049","0.003","90","","693.7","0.07","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Stephen P. Lathrop; Tomislav Rovis","Asymmetric Synthesis of Functionalized Cyclopentanones via a Multicatalytic Secondary Amine/N-Heterocyclic Carbene Catalyzed Cascade Sequence","Journal of the American Chemical Society","2009","131","","13628","13630","10.1021/ja905342e","","","0.71073","MoKα","","0.0526","0.0434","","","0.1091","0.1158","","","","","","1.035","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105072","5.7342","0.0005","15.4013","0.0012","13.9378","0.001","90","","93.861","0.003","90","","1228.11","0.17","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","2","","Stephen P. Lathrop; Tomislav Rovis","Asymmetric Synthesis of Functionalized Cyclopentanones via a Multicatalytic Secondary Amine/N-Heterocyclic Carbene Catalyzed Cascade Sequence","Journal of the American Chemical Society","2009","131","","13628","13630","10.1021/ja905342e","","","0.71073","MoKα","","0.0481","0.0385","","","0.0867","0.0911","","","","","","1.075","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105086","7.5161","0.0005","10.3189","0.0005","10.7196","0.0008","90","","89.877","0.006","90","","831.39","0.09","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O2 -","- C17 H26 B N O2 -","- C34 H52 B2 N2 O4 -","2","1","","Kyoung Taek Kim; Jeroen J. L. M. Cornelissen; Roeland J. M. Nolte; Jan C. M. van Hest","Polymeric Monosaccharide Receptors Responsive at Neutral pH","Journal of the American Chemical Society","2009","131","","13908","13909","10.1021/ja905652w","","","0.71073","MoKα","","0.0526","0.042","","0.0891","0.0849","0.0891","","","1.106","","","1.106","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105109","10.0577","0.0019","10.8143","0.001","13.1328","0.0019","90","","100.152","0.014","90","","1406.1","0.4","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 B F4 Mn O4 -","- C11 H10 B F4 Mn O4 -","- C44 H40 B4 F16 Mn4 O16 -","4","2","","Antoine Eloi; Françoise Rose-Munch; Eric Rose","Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes","Journal of the American Chemical Society","2009","131","","14178","14179","10.1021/ja905712k","","","0.71073","MoKα","","0.096","0.0727","","0.1149","0.0831","0.0797","","","","","","1.0744","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105110","7.3987","0.0011","9.934","0.0012","13.8457","0.0019","90","","91.739","0.011","90","","1017.2","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Mn O5 -","- C21 H25 Mn O5 -","- C42 H50 Mn2 O10 -","2","1","","Antoine Eloi; Françoise Rose-Munch; Eric Rose","Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes","Journal of the American Chemical Society","2009","131","","14178","14179","10.1021/ja905712k","","","0.71073","MoKα","","0.0308","0.0258","","0.0338","0.0298","0.0293","","","","","","1.0793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105116","9.1008","0.001","8.805","0.001","14.0629","0.0015","90","","105.996","0.002","90","","1083.3","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H25 Cl2 F6 Ir N3 P -","- C15 H25 Cl2 F6 Ir N3 P -","- C30 H50 Cl4 F12 Ir2 N6 P2 -","2","1","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0573","0.0438","","","0.0978","0.1043","","","","","","1.008","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105131","7.344","0.006","10.456","0.008","19.492","0.015","90","","90.422","0.009","90","","1497","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 I2 O8 -","- C32.32 H30 I2 O8 -","- C64.64 H60 I4 O16 -","2","1","","Hidehiro Suematsu; Tsutomu Katsuki","Iridium(III) Catalyzed Diastereo- and Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2009","131","","14218","14219","10.1021/ja9065267","","","0.71073","MoKα","","0.1071","0.1053","","","0.2618","0.263","","","","","","1.244","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105158","11.662","0.006","6.404","0.003","21.73","0.01","90","","97.407","0.008","90","","1609.3","1.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O2 -","- C18 H21 Br O2 -","- C72 H84 Br4 O8 -","4","2","","En Zhang; Chun-An Fan; Yong-Qiang Tu; Fu-Min Zhang; Yan-Lin Song","Organocatalytic Asymmetric Vinylogous α-Ketol Rearrangement: Enantioselective Construction of Chiral All-Carbon Quaternary Stereocenters in Spirocyclic Diketones via Semipinacol-Type 1,2-Carbon Migration","Journal of the American Chemical Society","2009","131","","14626","14627","10.1021/ja906291n","","","0.71073","MoKα","","0.1107","0.0483","","","0.0922","0.1102","","","","","","0.976","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105161","13.6331","0.0009","11.0404","0.0007","22.001","0.0015","90","","102.501","0.001","90","","3233","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H42 Br N3 O3 -","- C26 H24 Br N3 O3 -","- C104 H96 Br4 N12 O12 -","4","2","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.079","0.0478","","","0.1242","0.1355","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105162","15.742","0.003","26.645","0.005","17.681","0.004","90","","103.16","0.03","90","","7221","3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H40.5 N1.5 O7 Si -","- C41 H40.5 N1.5 O7 Si -","- C328 H324 N12 O56 Si8 -","8","4","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1624","0.0925","","","0.2073","0.2501","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105173","12.782","0.005","11.75","0.005","13.392","0.005","90","0.005","98.644","0.005","90","0.005","1988.5","1.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 S -","- C20 H21 Br N2 S -","- C80 H84 Br4 N8 S4 -","4","2","","Nan Li; Xiao-Hua Chen; Jin Song; Shi-Wei Luo; Wu Fan; Liu-Zhu Gong","Highly Enantioselective Organocatalytic Biginelli and Biginelli-Like Condensations: Reversal of the Stereochemistry by Tuning the 3,3'-Disubstituents of Phosphoric Acids","Journal of the American Chemical Society","2009","131","","15301","15310","10.1021/ja905320q","","","1.54184","CuKα","","0.0593","0.0353","","","0.0624","0.0676","","","","","","1.006","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105182","6.6143","0.0005","7.1191","0.0005","7.8433","0.0006","90","","98.334","0.002","90","","365.42","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H6 O7 Sr -","- C4 H6 O7 Sr -","- C8 H12 O14 Sr2 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.057","0.0554","","","0.137","0.1392","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105202","16.9278","0.0018","7.4154","0.0008","35.492","0.004","90","","95.125","0.002","90","","4437.4","0.8","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Br I N O4 -","- C20 H19 Br I N O4 -","- C160 H152 Br8 I8 N8 O32 -","8","4","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.1007","0.0764","","","0.1861","0.1965","","","","","","1.298","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105203","10.5601","0.0018","7.3873","0.0013","14.727","0.003","90","","101.49","0.004","90","","1125.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Br N O4 -","- C24 H28 Br N O4 -","- C48 H56 Br2 N2 O8 -","2","1","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.0747","0.05","","","0.1159","0.1338","","","","","","0.823","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105206","21.322","0.008","18.694","0.007","23.798","0.009","90","","100.184","0.006","90","","9336","6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Na7[(V=O)7Na7(H2O)7(b-CD)2].39H2O (2)","","- C84 H204 Na14 O123 V7 -","- C84 H112 Na7 O84 V7 -","- C168 H224 Na14 O168 V14 -","2","1","","Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio","Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins","Journal of the American Chemical Society","2009","131","","15100","15101","10.1021/ja9066496","","","0.71073","MoKα","","0.1137","0.0772","","","0.1925","0.2067","","","","","","0.883","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105216","12.0154","0.0013","10.6506","0.0011","13.5976","0.0014","90","","94.059","0.002","90","","1735.7","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 Ru -","- C37 H46 Cl2 N2 Ru -","- C74 H92 Cl4 N4 Ru2 -","2","1","","Kung-Pern Wang; Sang Young Yun; Daesung Lee; Donald J. Wink","Structure and Reactivity of Alkyne-Chelated Ruthenium Alkylidene Complexes","Journal of the American Chemical Society","2009","131","","15114","15115","10.1021/ja907155r","","","0.71073","MoKα","","0.0475","0.0379","","","0.0762","0.0798","","","","","","1.005","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105223","11.995","0.002","8.2243","0.0016","16.523","0.003","90","","100.76","0.03","90","","1601.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H26 F6 N4 O6 S2 Te -","- C27 H26 F6 N4 O6 S2 Te -","- C54 H52 F12 N8 O12 S4 Te2 -","2","1","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0452","0.0362","","","0.0871","0.0988","","","","","","1.101","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105231","10.8877","0.0003","18.0279","0.0005","11.1484","0.0003","90","","91.924","0.001","90","","2187","0.1","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H50 Cl5 N O4 P Rh -","- C43 H50 Cl5 N O4 P Rh -","- C86 H100 Cl10 N2 O8 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0786","0.0511","","","0.1067","0.1195","","","","","","1.005","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105233","10.8926","0.0007","18.1189","0.0011","11.223","0.0007","90","","91.835","0.003","90","","2213.9","0.2","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H52 Cl5 N O4 P Rh -","- C45 H52 Cl5 N O4 P Rh -","- C90 H104 Cl10 N2 O8 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0246","0.0232","","","0.0574","0.0581","","","","","","1.018","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105253","8.0208","0.0008","6.0426","0.0006","9.7977","0.001","90","","95.619","0.005","90","","472.58","0.08","293","","","","","","","","","","LOC ETH Zurich, CN796_2_1_1","4","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C12 H22 Cl6 O4 -","2","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0912","0.0641","","","0.1589","0.1833","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105274","7.3186","0.0007","22.46","0.02","13.2979","0.0013","90","","93.896","0.005","90","","2181","2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O -","- C18 H20 O -","- C108 H120 O6 -","6","3","","Sébastien R. Goudreau; André B. Charette","In Situ Generation of Zinc Carbenoids from Diazo Compounds and Zinc Salts: Asymmetric Synthesis of 1,2,3-Substituted Cyclopropanes","Journal of the American Chemical Society","2009","131","","15633","15635","10.1021/ja9074776","","","1.54178","CuKα","","0.0467","0.0406","","","0.1067","0.1118","","","","","","1.025","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105326","5.3337","0.0003","8.4781","0.0005","10.0357","0.0006","90","","99.05","0.006","90","","448.16","0.05","295","1","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O -","- C9 H15 N O -","- C18 H30 N2 O2 -","2","1","","William J. Nodes; David R. Nutt; Ann M. Chippindale; Alexander J. A. Cobb","Enantioselective Intramolecular Michael Addition of Nitronates onto Conjugated Esters: Access to Cyclic γ-Amino Acids with up to Three Stereocenters","Journal of the American Chemical Society","2009","131","","16016","16017","10.1021/ja9070915","","","1.5418","CuKα","","0.0341","0.0321","","0.0377","0.0376","0.0376","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105327","14.5595","0.0015","12.4587","0.0013","15.6241","0.0017","90","","97.105","0.003","90","","2812.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H86 N6 O11 -","- C51 H86 N6 O11 -","- C102 H172 N12 O22 -","2","1","","Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman","Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure","Journal of the American Chemical Society","2009","131","","16018","16020","10.1021/ja907233q","","","1.54178","Cu-Kα","","0.0445","0.0419","","","0.1049","0.107","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105328","10.77","0.003","17.053","0.005","11.738","0.004","90","","99.878","0.019","90","","2123.9","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H64 N4 O7 -","- C44 H64 N4 O7 -","- C88 H128 N8 O14 -","2","1","","Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman","Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure","Journal of the American Chemical Society","2009","131","","16018","16020","10.1021/ja907233q","","","1.54178","Cu-Kα","","0.0272","0.027","","","0.0706","0.0708","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105349","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105351","16.0549","0.0019","21.667","0.003","18.052","0.002","90","","92.792","0.003","90","","6272.1","1.3","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H64 N4 O20 Rh2 -","- C60 H64 N4 O20 Rh2 -","- C240 H256 N16 O80 Rh8 -","4","2","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","0.71073","MoKα","","0.0644","0.051","","","0.1352","0.1432","","","","","","1.043","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105359","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Simon J. Meek; Steven J. Malcolmson; Bo Li; Richard R. Schrock; Amir H. Hoveyda","The Significance of Degenerate Processes to Enantioselective Olefin Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes","Journal of the American Chemical Society","2009","131","","16407","16409","10.1021/ja907805f","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105367","6.7176","0.0013","12.24","0.002","7.1196","0.0014","90","","109.84","0.03","90","","550.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","K. C. Nicolaou; Ang Li; David J. Edmonds; G. Scott Tria; Shelby P. Ellery","Total Synthesis of Platensimycin and Related Natural Products","Journal of the American Chemical Society","2009","131","","16905","16918","10.1021/ja9068003","","","0.71073","MoKα","","0.064","0.0484","","","0.0984","0.1061","","","","","","1.027","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105370","6.0434","0.0009","8.5691","0.001","10.8387","0.0015","90","","95.146","0.018","90","","559.04","0.13","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2- dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.0305","0.0297","","","0.0767","0.0772","","","","","","1.055","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105372","8.0425","0.0013","6.6274","0.0008","25.446","0.005","90","","93.479","0.014","90","","1353.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-((R)-2,2-dimethyl-1,3-dioxalan-4-yl)((S)-4-(hydroxymethyl)2,2- dimethyl-1,3-dioxolan-4-yl)methanol","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.1142","0.0883","","","0.2102","0.2329","","","","","","0.993","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105386","8.941","0.003","27.929","0.009","16.334","0.005","90","","105.848","0.008","90","","3924","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H74 Cl8 N10 Ni2 O8 S2 -","- C74 H74 Cl8 N10 Ni2 O8 S2 -","- C148 H148 Cl16 N20 Ni4 O16 S4 -","2","1","","Xiang Liu; James A. Henderson; Takeo Sasaki; Yoshito Kishi","Dramatic Improvement in Catalyst Loadings and Molar Ratios of Coupling Partners for Ni/Cr-Mediated Coupling Reactions: Heterobimetallic Catalysts","Journal of the American Chemical Society","2009","131","","16678","16680","10.1021/ja9079308","","","0.71073","MoKα","","0.1567","0.0793","","","0.1646","0.1854","","","","","","1.018","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105390","10.2073","0.0002","13.3413","0.0002","18.5216","0.0004","90","","91.036","0.002","90","","2521.83","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H29 Au Cl O P Ti -","- C28 H29 Au Cl O P Ti -","- C112 H116 Au4 Cl4 O4 P4 Ti4 -","4","2","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","1.54184","CuKα","","0.0669","0.0606","","","0.1445","0.1495","","","","","","1.033","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105465","9.4955","0.0017","8.512","0.0015","17.129","0.003","90","","98.142","0.003","90","","1370.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H22 O6 -","- C11 H22 O6 -","- C44 H88 O24 -","4","2","","Karla Ramírez-Gualito; Rosa Alonso-Ríos; Beatriz Quiroz-García; Aarón Rojas-Aguilar; Dolores Díaz; Jesús Jiménez-Barbero; Gabriel Cuevas","Enthalpic Nature of the CH/π Interaction Involved in the Recognition of Carbohydrates by Aromatic Compounds, Confirmed by a Novel Interplay of NMR, Calorimetry, and Theoretical Calculations","Journal of the American Chemical Society","2009","131","","18129","18138","10.1021/ja903950t","","","0.71073","MoKα","","0.0977","0.0551","","","0.1161","0.1339","","","","","","0.982","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105475","8.9775","0.0003","22.5389","0.0008","10.0483","0.0004","90","","97.942","0.001","90","","2013.7","0.13","296","2","296","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C35 H57 F3 N O3 P2 Pt Ru2 S -","- C70 H114 F6 N2 O6 P4 Pt2 Ru4 S2 -","2","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.0367","0.0345","","","0.0774","0.0905","","","","","","1.037","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105477","10.7624","0.0005","7.9949","0.0002","10.9354","0.0004","90","","118.459","0.005","90","","827.23","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","1.54178","CuKα","","0.0345","0.0338","","","0.089","0.09","","","","","","1.038","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105478","11.0406","0.0004","10.7876","0.0004","13.5147","0.0005","90","","102.36","0.004","90","","1572.31","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","0.71073","MoKα","","0.0532","0.0388","","","0.0822","0.0865","","","","","","0.944","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105491","10.102","0.01","5.802","0.006","15.213","0.015","90","","103.938","0.017","90","","865.4","1.5","168","","168","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Barry M. Trost; Jiayi Xu; Thomas Schmidt","Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation of Enol Carbonates","Journal of the American Chemical Society","2009","131","","18343","18357","10.1021/ja9053948","","","0.71073","MoKα","","0.0686","0.0446","","","0.0929","0.1024","","","","","","1.037","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105523","10.49","0.002","6.2315","0.0012","14.9","0.003","90","","92.2","0.03","90","","973.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","K. C. Nicolaou; Jae Hong Seo; Tsuyoshi Nakamura; Robert J. Aversa","Synthesis of the C'D'E'F' Domain of Maitotoxin","Journal of the American Chemical Society","2011","133","","214","219","10.1021/ja109531d","","","0.71073","MoKα","","0.0804","0.0671","","","0.17","0.1802","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105553","8.6114","0.0004","14.2075","0.0006","12.6871","0.0006","90","","104.609","0.003","90","","1502.04","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Sergiy Levin; Roger R. Nani; Sarah E. Reisman","Enantioselective Total Synthesis of (+)-Salvileucalin B","Journal of the American Chemical Society","2011","133","","774","776","10.1021/ja110192b","","","0.71073","MoKα","","0.0565","0.0443","","","0.0518","0.0539","","","","","","1.675","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105584","9.1219","0.001","9.797","0.0011","14.6276","0.0016","90","","98.977","0.002","90","","1291.2","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","02139","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C50 H74 N2 O14 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0309","0.0295","","","0.0716","0.0723","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105585","15.3315","0.0009","8.2072","0.0005","17.2595","0.0011","90","","99.414","0.001","90","","2142.5","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","4","P 1 21 1","P 2yb","4","96202","","","- C41 H62 O8 Si2 -","- C41 H62 O8 Si2 -","- C82 H124 O16 Si4 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.2103","0.094","","0.1952","0.1477","","","","0.953","1.171","1.171","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105608","11.6445","0.0004","12.6184","0.0004","12.7872","0.0004","90","","97.897","0.002","90","","1861.07","0.11","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H50 Cl2 F6 N4 P Rh -","- C33 H50 Cl2 F6 N4 P Rh -","- C66 H100 Cl4 F12 N8 P2 Rh2 -","2","1","","Peter Gigler; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Hydrosilylation with Biscarbene Rh(I) Complexes: Experimental Evidence for a Silylene-Based Mechanism","Journal of the American Chemical Society","2011","133","","1589","1596","10.1021/ja110017c","","","0.71073","MoKα","","0.0336","0.0295","","","0.0691","0.0731","","","","","","1.092","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105624","11.7897","0.0012","14.5693","0.0014","19.106","0.002","90","","95.564","0.006","90","","3266.3","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34.38 H41.75 Cl2.75 N O6 -","- C34.375 H41.75 Cl2.75 N O6 -","- C137.5 H167 Cl11 N4 O24 -","4","2","","Micheal C. Wilson; Sang-Jip Nam; Tobias A. M. Gulder; Christopher A. Kauffman; Paul R. Jensen; William Fenical; Bradley S. Moore","Structure and Biosynthesis of the Marine Streptomycete Ansamycin Ansalactam A and Its Distinctive Branched Chain Polyketide Extender Unit","Journal of the American Chemical Society","2011","133","","1971","1977","10.1021/ja109226s","","","1.54178","CuKα","","0.0506","0.0488","","","0.1375","0.1394","","","","","","1.046","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105638","10.2156","0.0003","6.7637","0.0002","11.1574","0.0003","90","","90.889","0.0014","90","","770.83","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C34 H32 Br2 N2 O6 -","2","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0322","0.0288","","0.0699","0.0654","0.0699","","","","","","0.9127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105656","8.903","0.002","10.455","0.003","10.571","0.003","90","","92.511","0.004","90","","983","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 I2 O3 -","- C18 H24 I2 O3 -","- C36 H48 I4 O6 -","2","1","","Xuebin Liao; Levi M. Stanley; John F. Hartwig","Enantioselective Total Syntheses of (-)-Taiwaniaquinone H and (-)-Taiwaniaquinol B by Iridium-Catalyzed Borylation and Palladium-Catalyzed Asymmetric α-Arylation","Journal of the American Chemical Society","2011","133","","2088","2091","10.1021/ja110215b","","","0.71073","MoKα","","0.0309","0.0252","","","0.0583","0.06","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105665","10.91","0.007","11.252","0.007","16.024","0.01","90","","93.368","0.01","90","","1964","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","(THF)V(tpaMes)","","","- C46 H53 N4 O V -","- C46 H53 N4 O V -","- C92 H106 N8 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0518","0.0378","","","0.0789","0.0851","","","","","","1.034","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105670","9.3718","0.0012","15.838","0.002","14.0215","0.0018","90","","98.362","0.009","90","","2059.1","0.5","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 F6 N2 P Rh Sb -","- C43 H55 F6 N2 P Rh Sb -","- C86 H110 F12 N4 P2 Rh2 Sb2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.1094","0.0573","","","0.0911","0.1061","","","","","","0.993","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105687","9.998","0.008","6.545","0.006","13.109","0.01","90","","109.81","0.04","90","","807","1.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C36 H30 Cl2 O8 -","2","1","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.1205","0.0948","","","0.2298","0.2609","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105709","8.9481","0.0007","6.2416","0.0005","16.8398","0.0014","90","","94.779","0.002","90","","937.24","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C42 H44 Cl2 N2 O4 -","2","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0513","0.0477","","","0.1205","0.1289","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105721","10.3014","0.0011","10.6935","0.0008","10.837","0.0012","90","","116.249","0.004","90","","1070.68","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl9 Hg6 In2 P3 -","- Cl9 Hg6 In2 P3 -","- Cl18 Hg12 In4 P6 -","2","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0624","0.0592","","","0.1161","0.1185","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105756","9.659","0.002","11.105","0.003","10.452","0.003","90","","106.529","0.008","90","","1074.8","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 O2 P2 Pd2 -","- C15 H32 O2 P2 Pd2 -","- C30 H64 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0239","","","","0.0438","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105762","9.4246","0.0011","17.954","0.002","11.732","0.0014","90","","110.801","0.002","90","","1855.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 B Cl2 F4 N2 -","- C41 H43 B Cl2 F4 N2 -","- C82 H86 B2 Cl4 F8 N4 -","2","1","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0614","0.0554","","","0.1518","0.1581","","","","","","1.044","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105785","23.597","0.007","23.139","0.007","33.025","0.01","90","","99.636","0.006","90","","17778","9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C233 H284 Ag43 N11 O97 P12 V18 -","- C233 H280 Ag43 N11 O97 P12 V18 -","- C466 H560 Ag86 N22 O194 P24 V36 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.0791","0.0506","","","0.1235","0.1434","","","","","","1.067","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105812","10.3787","0.0003","18.8034","0.0004","12.3583","0.0003","90","","102.152","0.002","90","","2357.74","0.1","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","Lu{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B Lu N2 O2 Si2 -","- C42 H74 B Lu N2 O2 Si2 -","- C84 H148 B2 Lu2 N4 O4 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","1.54184","CuKα","","0.0631","0.0586","","0.0733","0.0688","0.0662","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105847","12.251","0.004","18.924","0.006","13.226","0.005","90","","115.098","0.012","90","","2776.8","1.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H63 B2 N7 O2 -","- C72 H63 B2 N7 O2 -","- C144 H126 B4 N14 O4 -","2","1","","Shin-ya Hayashi; Eiji Tsurumaki; Yasuhide Inokuma; Pyosang Kim; Young Mo Sung; Dongho Kim; Atsuhiro Osuka","Synthesis and Properties of Boron(III)-Coordinated Subbacteriochlorins","Journal of the American Chemical Society","2011","133","","4254","4256","10.1021/ja200669a","","","0.71075","MoKα","","0.1045","0.0631","","","0.1613","0.184","","","","","","1.016","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105858","7.8804","0.0004","10.097","0.0005","18.4834","0.001","90","","95.244","0.004","90","","1464.54","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl N2 O6 -","- C35 H27 Cl N2 O6 -","- C70 H54 Cl2 N4 O12 -","2","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","1.54178","CuKα","","0.0417","0.0345","","","0.0803","0.0845","","","","","","1.01","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105873","9.2525","0.0004","7.5766","0.0003","11.1876","0.0004","90","","103.735","0.002","90","","761.85","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","1.54178","CuKα","","0.0294","0.0292","","","0.0761","0.0762","","","","","","1.057","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105893","7.0396","0.0007","6.0088","0.0007","27.483","0.003","90","","91.773","0.006","90","","1162","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 Br O2 -","- C13 H11 Br O2 -","- C52 H44 Br4 O8 -","4","2","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","0.71073","MoKα","","0.0669","0.045","","","0.0769","0.0823","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105908","13.2972","0.0007","13.2921","0.0007","17.5488","0.0009","90","","102.863","0.003","90","","3023.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Hg-pyrenyl-phosphoramid-AuCl","toste29","","- C69 H56 Au Cl3 N O2 P -","- C69 H56 Au Cl3 N O2 P -","- C138 H112 Au2 Cl6 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0437","0.0418","","","0.1263","0.128","","","","","","1.151","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105909","8.5886","0.0003","18.2238","0.0006","16.121","0.0005","90","","95.129","0.002","90","","2513.11","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","AG04-169","toste31","","- C68 H54 Au Cl N O2 P -","- C68 H54 Au Cl N O2 P -","- C136 H108 Au2 Cl2 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54184","CuKα","","0.0226","0.0216","","","0.052","0.0525","","","","","","1.019","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105911","10.4997","0.0008","8.3483","0.0006","11.8012","0.0007","90","","91.036","0.005","90","","1034.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AG04-186H","toste30","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C44 H50 N2 O8 S2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0763","0.0624","","","0.1567","0.1679","","","","","","1.031","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105937","12.5882","0.0009","29.285","0.002","6.5904","0.0004","90","","92.885","0.002","90","","2426.4","0.3","","","83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I7.58 N12 Zn3 -","- C36 I7.228 N12 Zn3 -","- C72 I14.456 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","0.9948","Synchrotron","","","0.0298","","","0.0399","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105938","12.719","0.0005","29.6449","0.0011","6.51966","0.00023","90","","93.066","0.002","90","","2454.74","0.16","","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I6 N12 Zn3 -","- C36 I6 N12 Zn3 -","- C72 I12 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1","Synchrotron","","","0.0268","","","0.0354","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105947","10.5379","0.0004","8.3576","0.0003","13.139","0.0005","90","","109.878","0.004","90","","1088.23","0.08","294","2","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl N2 O5 S -","- C22 H19 Cl N2 O5 S -","- C44 H38 Cl2 N4 O10 S2 -","2","1","","Yunfei Cai; Xiaohua Liu; Jun Jiang; Weiliang Chen; Lili Lin; Xiaoming Feng","Catalytic Asymmetric Chloroamination Reaction of α,β-Unsaturated γ-Keto Esters and Chalcones","Journal of the American Chemical Society","2011","133","","5636","5639","10.1021/ja110668c","","","0.7107","MoKα","","0.0492","0.0346","","","0.0744","0.0777","","","","","","0.936","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106054","14.167","0.004","9.762","0.002","16.468","0.004","90","","92.121","0.003","90","","2275.9","1","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O4 -","- C26 H24 Br N O4 -","- C104 H96 Br4 N4 O16 -","4","2","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0625","0.0428","","","0.0839","0.0904","","","","","","0.975","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106083","9.3456","0.0006","10.2047","0.0006","12.7683","0.0008","90","","110.344","0.0007","90","","1141.75","0.12","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C52 H48 N8 O10 -","2","1","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0472","0.0439","","","0.1156","0.1184","","","","","","1.054","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106131","10.4912","0.0004","12.2508","0.0005","13.7547","0.0005","90","","105.157","0.002","90","","1706.33","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 O Ru -","- C37 H44 Cl2 N2 O Ru -","- C74 H88 Cl4 N4 O2 Ru2 -","2","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0351","0.027","","","0.039","0.0399","","","","","","1.115","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106192","8.0469","0.0008","16.2859","0.0016","10.5311","0.001","90","","106.797","0.003","90","","1321.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O4 -","- C30 H27 Br N2 O4 -","- C60 H54 Br2 N4 O8 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0536","0.037","","","0.074","0.0814","","","","","","1.019","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106193","8.5528","0.0003","14.2736","0.0005","11.6894","0.0004","90","","102.228","0.001","90","","1394.66","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 Br N2 O5 -","- C31 H29 Br N2 O5 -","- C62 H58 Br2 N4 O10 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0258","0.0241","","","0.0614","0.0622","","","","","","1.058","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106204","6.259","0.003","7.569","0.003","20.826","0.009","90","0.001","92.781","0.001","90","0.001","985.5","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DATT","","- C30 H16 S2 -","- C30 H16 S2 -","- C60 H32 S4 -","2","1","","Kazuki Niimi; Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Dianthra[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DATT): Synthesis, Characterization, and FET Characteristics of New π-Extended Heteroarene with Eight Fused Aromatic Rings","Journal of the American Chemical Society","2011","133","","8732","8739","10.1021/ja202377m","","","0.7107","MoKα","","0.0643","0.0595","","","0.142","0.1473","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106231","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106232","7.9911","0.0001","5.5915","0.0001","17.4447","0.0003","90","","91.981","0.001","90","","779","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0358","0.0343","","","0.0887","0.0901","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106233","11.94","0.004","5.2913","0.0018","12.294","0.004","90","","94.675","0.016","90","","774.1","0.4","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.053","0.0416","","","0.1022","0.1138","","","","","","1.03","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106243","6.66","0.002","13.081","0.005","8.454","0.003","90","","96.275","0.004","90","","732.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O2 S2 -","- C14 H13 Br O2 S2 -","- C28 H26 Br2 O4 S4 -","2","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0648","0.0463","","","0.108","0.1166","","","","","","1.048","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106263","6.366","0.003","13.087","0.006","14.032","0.005","90","","105.29","0.03","90","","1127.7","0.9","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Hiromasa Yokoe; Chika Mitsuhashi; Yoko Matsuoka; Tomoyuki Yoshimura; Masahiro Yoshida; Kozo Shishido","Enantiocontrolled Total Syntheses of Breviones A, B, and C","Journal of the American Chemical Society","2011","133","","8854","8857","10.1021/ja202874d","","","0.7107","MoKα","","","0.046","","","","0.068","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106303","9.074","0.002","21.105","0.005","12.299","0.004","90","","105.218","0.01","90","","2272.7","1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H59 B N2 O4 -","- C57 H59 B N2 O4 -","- C114 H118 B2 N4 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0954","0.0838","","","0.2117","0.2189","","","","","","1.067","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106305","14.121","","9.324","","18.497","","90","","99.18","","90","","2404.2","","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H65 B Cl N3 O4 -","- C51 H65 B Cl N3 O4 -","- C102 H130 B2 Cl2 N6 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","1.54187","CuKα","","0.1754","0.0971","","","0.218","0.2655","","","","","","1.129","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106333","7.4228","0.0013","17.014","0.003","22.026","0.004","90","","96.464","0.003","90","","2764","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H44 O Si -","- C31 H44 O Si -","- C124 H176 O4 Si4 -","4","2","","Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J.","A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade","Journal of the American Chemical Society","2011","133","25","9724","9726","10.1021/ja204142n","","","0.71073","MoKα","","0.0566","0.0428","","","0.0893","0.0959","","","","","","1.02","","","","has coordinates","219273","2020-10-21","18:00:00",""
"4106339","8.293","0.002","8.115","0.002","12.531","0.003","90","","95.021","0.004","90","","840.1","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1113","0.0638","","","0.1257","0.147","","","","","","1.021","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106355","17.753","0.004","8.1082","0.0016","23.17","0.005","90","","101.19","0.03","90","","3271.8","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H60 Cl2 N2 O21 -","- C61 H60 Cl2 N2 O21 -","- C122 H120 Cl4 N4 O42 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","1.54178","CuKα","","0.1068","0.0853","","","0.2271","0.2474","","","","","","1.038","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106356","10.8945","0.0006","9.8099","0.0005","13.8138","0.0009","90","","110.216","0.003","90","","1385.39","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br I O6 -","- C29 H26 Br I O6 -","- C58 H52 Br2 I2 O12 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","0.71073","MoKα","","0.0397","0.0309","","","0.0713","0.0752","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106397","6.2292","0.0004","13.004","0.0008","15.5592","0.001","90","","97.069","0.004","90","","1250.79","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","","Charles P. Frazier; Jarred R. Engelking; Javier Read de Alaniz","Copper-Catalyzed Aerobic Oxidation of Hydroxamic Acids Leads to a Mild and Versatile Acylnitroso Ene Reaction","Journal of the American Chemical Society","2011","133","","10430","10433","10.1021/ja204603u","","","1.54178","CuKα","","0.0609","0.0603","","","0.1657","0.1662","","","","","","2.515","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106398","9.881","0.002","9.6458","0.0019","13.423","0.003","90","","97.27","0.03","90","","1269.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H20 Cl4 -","- C32 H20 Cl4 -","- C64 H40 Cl8 -","2","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0373","0.0345","","","0.0935","0.1043","","","","","","1.176","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106403","13.7017","0.0008","12.657","0.0006","20.2986","0.0015","90","","103.648","0.008","90","","3420.8","0.4","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H75 Cl N2 O6 P2 Ru -","- C71 H75 Cl N2 O6 P2 Ru -","- C142 H150 Cl2 N4 O12 P4 Ru2 -","2","1","","Kazuhiko Matsumura; Noriyoshi Arai; Kiyoto Hori; Takao Saito; Noboru Sayo; Takeshi Ohkuma","Chiral Ruthenabicyclic Complexes: Precatalysts for Rapid, Enantioselective, and Wide-Scope Hydrogenation of Ketones","Journal of the American Chemical Society","2011","133","","10696","10699","10.1021/ja202296w","","","0.71075","MoKα","","","0.0687","","","","0.1917","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106418","9.0424","0.0002","21.397","0.0005","10.3352","0.0003","90","","114.417","0.001","90","","1820.81","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl2 P2 Pd2 -","- C36 H44 Cl2 P2 Pd2 -","- C72 H88 Cl4 P4 Pd4 -","2","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.0754","0.0397","","","0.0596","0.0663","","","","","","0.829","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106421","9.2234","0.0003","14.0422","0.0004","13.6223","0.0005","90","","96.874","0.001","90","","1751.63","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H26 B P -","- C18 H26 B P -","- C72 H104 B4 P4 -","4","2","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.143","0.0783","","","0.2022","0.2556","","","","","","1.115","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106460","6.4749","0.0009","11.6128","0.0017","7.7449","0.0011","90","","109.299","0.002","90","","549.63","0.14","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C26 H28 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0412","0.0383","","","0.1053","0.1091","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106517","9.2234","0.0002","17.7084","0.0005","9.9464","0.0003","90","","100.953","0.002","90","","1594.97","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H31 Cl2 P -","- C41 H31 Cl2 P -","- C82 H62 Cl4 P2 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.033","0.032","","","0.0836","0.0844","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106520","13.1781","0.0003","9.1516","0.0002","15.7055","0.0003","90","","99.371","0.001","90","","1868.82","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cl O5 P -","- C17 H22 Cl O5 P -","- C68 H88 Cl4 O20 P4 -","4","2","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.027","0.0266","","","0.0708","0.0712","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106521","9.5202","0.0003","10.1753","0.0003","16.8674","0.0005","90","","94.524","0.002","90","","1628.87","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H51 N O7 -","- C34 H51 N O7 -","- C68 H102 N2 O14 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0555","0.0511","","","0.1396","0.1448","","","","","","1.029","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106529","8.8529","0.0009","6.2316","0.0006","16.8666","0.0014","90","","102.238","0.007","90","","909.35","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C44 H48 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0426","0.0383","","","0.097","0.0996","","","","","","1.111","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106530","8.4696","0.0001","8.2702","0.0002","15.7541","0.0003","90","","103.045","0.001","90","","1075.02","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0343","0.032","","","0.0834","0.0855","","","","","","1.017","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106531","8.8153","0.0007","9.6717","0.0008","10.6323","0.0009","90","","99.8","0.005","90","","893.27","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0307","0.03","","","0.0735","0.0742","","","","","","1.039","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106532","11.463","0.004","22.062","0.008","15.984","0.006","90","","107.21","0.007","90","","3861","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N3 O2 -","- C47 H49 N3 O2 -","- C188 H196 N12 O8 -","4","2","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.1409","0.1077","","","0.2891","0.3276","","","","","","1.129","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106549","5.4168","0.0008","9.594","0.0015","23.395","0.004","90","","93.42","0.011","90","","1213.6","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl N2 O4 -","- C25 H33 Cl N2 O4 -","- C50 H66 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0865","0.0604","","","0.1347","0.1492","","","","","","1.009","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106550","11.8906","0.0006","5.7704","0.0003","13.5908","0.0007","90","","106.185","0.004","90","","895.55","0.08","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C38 H54 Cl2 N4 O4 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0723","0.0634","","","0.1608","0.1691","","","","","","1.008","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106551","9.08","0.003","6.0442","0.0011","33.842","0.009","90","","95.46","0.02","90","","1848.9","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28.5 N2 O2 S -","- C17 H28.5 N2 O2 S -","- C68 H114 N8 O8 S4 -","4","2","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.1248","0.1036","","","0.2324","0.2477","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106591","6.0055","0.0002","27.8264","0.0008","8.3886","0.0002","90","","99.216","0.002","90","","1383.74","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 N2 O4 -","- C29 H32 Cl2 N2 O4 -","- C58 H64 Cl4 N4 O8 -","2","1","","Xiaodan Zhao; Daniel A. DiRocco; Tomislav Rovis","N-Heterocyclic Carbene and Brønsted Acid Cooperative Catalysis: Asymmetric Synthesis of trans-γ-Lactams","Journal of the American Chemical Society","2011","133","","12466","12469","10.1021/ja205714g","","","0.71073","MoKα","","0.0774","0.0589","","","0.1588","0.1787","","","","","","1.057","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106628","11.3458","0.0003","25.4178","0.0008","20.5328","0.0006","90","","101.16","0.001","90","","5809.4","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","YMW-IV-179","toste39","","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C232 H216 Au8 Cl8 F24 N24 O12 -","4","2","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","0.71073","MoKα","","0.0319","0.0289","","","0.0777","0.0791","","","","","","1.081","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106659","9.175","0.005","8.368","0.005","14.289","0.005","90","0.005","100.801","0.005","90","0.005","1077.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O6 -","- C22 H22 Br N O6 -","- C44 H44 Br2 N2 O12 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0253","0.0247","","","0.0583","0.0586","","","","","","1","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106660","11.336","0.0015","6.2113","0.0007","15.8921","0.0019","90","","100.095","0.013","90","","1101.7","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O8 -","- C20 H24 Cl N O8 -","- C40 H48 Cl2 N2 O16 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0718","0.0386","","","0.0888","0.1264","","","","","","1.072","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106661","12.6724","0.0006","5.5879","0.0003","14.6076","0.0006","90","","110.988","0.005","90","","965.77","0.09","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C36 H44 Cl2 N2 O10 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.055","0.0471","","","0.0984","0.1047","","","","","","1.012","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106670","7.5547","0.0003","17.9801","0.0006","8.141","0.0003","90","","96.036","0.002","90","","1099.7","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F10 N3 O3 Re -","- C20 H14 F10 N3 O3 Re -","- C40 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0508","0.0352","","","0.0491","0.0527","","","","","","0.978","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106693","19.3461","0.0006","8.9264","0.0003","24.7549","0.0008","90","","105.939","0.002","90","","4110.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H110 Cl2 N4 -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0956","0.0877","","","0.2382","0.2442","","","","","","1.063","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106694","19.4024","0.0007","8.9759","0.0003","24.5083","0.0007","90","","106.389","0.003","90","","4094.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H112 N4 O -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1302","0.0891","","","0.2339","0.2609","","","","","","0.977","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106705","5.7685","0.0003","10.6003","0.0005","12.1274","0.0006","90","","94.518","0.002","90","","739.26","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","James A. Birrell; Jean-Nicolas Desrosiers; Eric N. Jacobsen","Enantioselective Acylation of Silyl Ketene Acetals through Fluoride Anion-Binding Catalysis","Journal of the American Chemical Society","2011","133","","13872","13875","10.1021/ja205602j","","","1.54178","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.047","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106711","14.296","0.003","13.337","0.003","24.209","0.005","90","","103.24","0.03","90","","4493.1","1.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H66 Cl F3 N8 O3 -","- C43 H66 Cl F3 N8 O3 -","- C172 H264 Cl4 F12 N32 O12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0546","0.0484","","","0.1111","0.1142","","","","","","1.154","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106722","7.217","0.003","10.952","0.004","10.924","0.004","90","","93.419","0.006","90","","861.9","0.6","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C34 H52 B2 N2 O8 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0348","0.0323","","","0.0819","0.0836","","","","","","1.076","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106724","7.4261","0.0006","10.3634","0.0008","11.3317","0.0009","90","","99.312","0.003","90","","860.59","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O5 -","- C17 H26 B N O5 -","- C34 H52 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0421","0.034","","","0.0794","0.0832","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106725","7.2683","0.0004","10.2312","0.0006","10.5809","0.0006","90","","93.78","0.003","90","","785.12","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 B N O5 -","- C16 H24 B N O5 -","- C32 H48 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0314","0.0293","","","0.0785","0.0799","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106726","11.4292","0.0011","13.9385","0.0013","11.4429","0.0012","90","","91.216","0.006","90","","1822.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 B Cl2 N O6 -","- C38 H44 B Cl2 N O6 -","- C76 H88 B2 Cl4 N2 O12 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.1107","0.0528","","","0.0994","0.1198","","","","","","0.965","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106730","4.742","","25.691","","12.212","","90","","90","","90","","1487.75","","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N4 O7 S -","- C31 H29 F3 N4 O7 S -","- C62 H58 F6 N8 O14 S2 -","2","1","","Changliang Ren; Victor Maurizot; Huaiqing Zhao; Jie Shen; Feng Zhou; Wei Qiang Ong; Zhiyun Du; Kun Zhang; Haibin Su; Huaqiang Zeng","Five-Fold-Symmetric Macrocyclic Aromatic Pentamers: High-Affinity Cation Recognition, Ion-Pair-Induced Columnar Stacking, and Nanofibrillation","Journal of the American Chemical Society","2011","133","","13930","13933","10.1021/ja206457b","","","0.71073","MoKα","","0.0948","0.0889","","","0.181","0.197","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106753","12.4116","0.0019","5.4173","0.0008","13.535","0.002","90","","112.088","0.002","90","","843.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07134a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0454","0.0348","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106754","11.6952","0.001","5.5834","0.0005","11.8252","0.0011","90","","111.848","0.001","90","","716.71","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07152a","","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0257","0.0228","","","0.0538","0.0547","","","","","","1.007","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106779","6.5424","0.0014","14.242","0.003","17.525","0.003","90","","97.186","0.005","90","","1620.1","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H37 Cl2 N5 O4 -","- C34 H37 Cl2 N5 O4 -","- C68 H74 Cl4 N10 O8 -","2","1","","Chandra Kanta De; Daniel Seidel","Catalytic Enantioselective Desymmetrization ofmeso-Diamines: A Dual Small-Molecule Catalysis Approach","Journal of the American Chemical Society","2011","133","","14538","14541","10.1021/ja2060462","","","0.71073","MoKα","","0.0843","0.0572","","","0.1071","0.1152","","","","","","1.003","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106788","6.9456","0.0003","6.6693","0.0003","16.2697","0.0007","90","","95.464","0.002","90","","750.23","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","0.71073","MoKα","","0.0214","0.0195","","","0.0455","0.046","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106827","6.8494","0.0003","17.1089","0.0007","10.04","0.0004","90","","90.747","0.002","90","","1176.44","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O6 S -","- C11 H12 N2 O6 S -","- C44 H48 N8 O24 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0312","0.0301","","","0.0773","0.0781","","","","","","1.047","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106828","4.9662","0.0003","17.4493","0.0009","17.4476","0.0012","90","","97.765","0.005","90","","1498.09","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54184","CuKα","","0.0511","0.0433","","","0.1045","0.1096","","","","","","1.028","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106837","10.2241","0.0003","7.8813","0.0003","18.7697","0.0006","90","","91.532","0.001","90","","1511.91","0.09","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl2 N O3 S -","- C14 H12 Cl2 N O3 S -","- C56 H48 Cl8 N4 O12 S4 -","4","2","","Lennart Lykke; Carles Rodríguez-Escrich; Karl Anker Jørgensen","Catalytic Enantioselective Oxaziridination","Journal of the American Chemical Society","2011","133","","14932","14935","10.1021/ja2064457","","x-ray","0.71073","MoKα","","0.0555","0.041","","","0.0898","0.1044","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106853","12.582","0.003","17.311","0.004","13.987","0.003","90","","99.586","0.003","90","","3003.9","1.2","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N2 O2.5 Ru S -","- C32 H35 Cl N2 O2.5 Ru S -","- C128 H140 Cl4 N8 O10 Ru4 S4 -","4","2","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0411","","","","0.1038","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106854","8.3489","0.0004","7.3054","0.0003","9.9944","0.0005","90","","105.627","0.003","90","","587.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C26 H44 O6 -","2","1","","Jacob Y. Cha; John T. S. Yeoman; Sarah E. Reisman","A Concise Total Synthesis of (-)-Maoecrystal Z","Journal of the American Chemical Society","2011","133","","14964","14967","10.1021/ja2073356","","","0.71073","MoKα","","0.0512","0.0408","","","0.0498","0.0504","","","","","","1.709","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106855","8.6244","0.0006","16.3829","0.0011","12.3896","0.0008","90","","110.075","0.001","90","","1644.2","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50.83 O7.415 Si -","- C32 H50.83 O7.415 Si -","- C64 H101.66 O14.83 Si2 -","2","1","","Kai Liu; Hiyun Kim; Partha Ghosh; Novruz G. Akhmedov; Lawrence J. Williams","Direct Entry to Erythronolides via a Cyclic Bis[Allene]","Journal of the American Chemical Society","2011","133","","14968","14971","10.1021/ja207496p","","","0.71073","MoKα","","0.0638","0.0563","","","0.134","0.1392","","","","","","1.011","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106862","9.3769","0.0003","13.6383","0.0004","17.3326","0.0005","90","","100.121","0.002","90","","2182.09","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N3 O6 -","- C51 H57 N3 O6 -","- C102 H114 N6 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0773","0.0761","","","0.1938","0.1952","","","","","","1.044","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106863","9.5687","0.0004","21.5564","0.0008","13.1776","0.0006","90","","90.693","0.003","90","","2717.9","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H64 N4 O6 -","- C62 H64 N4 O6 -","- C124 H128 N8 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.1237","0.0902","","","0.209","0.2307","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106864","9.6953","0.0014","10.3729","0.0015","30.136","0.004","90","","92.124","0.003","90","","3028.6","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H35 N O4 S -","- C36 H35 N O4 S -","- C144 H140 N4 O16 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.1309","0.1184","","","0.306","0.3153","","","","","","1.118","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106867","9.5737","0.0003","12.7735","0.0004","16.7885","0.0005","90","","90.134","0.001","90","","2053.05","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N O3 S -","- C22 H27 N O3 S -","- C88 H108 N4 O12 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0482","0.0409","","","0.1012","0.1142","","","","","","1.095","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106869","9.2006","0.0006","17.7065","0.001","9.6157","0.0006","90","","99.191","0.004","90","","1546.39","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N O4 S -","- C34 H40 N O4 S -","- C68 H80 N2 O8 S2 -","2","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.072","0.0504","","","0.1101","0.1332","","","","","","1.056","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106879","7.5048","0.0002","5.1061","0.0002","12.4279","0.0004","90","","101.03","0.002","90","","467.44","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0299","0.0296","","","0.0757","0.076","","","","","","1.073","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106909","5.6002","0.0009","13.903","0.005","9.208","0.0008","90","","103.04","0.002","90","","698.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 F3 O7 -","- C11 H13 F3 O7 -","- C22 H26 F6 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.1127","0.0395","","","0.0828","0.0962","","","","","","0.778","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106910","7.9989","0.0009","7.3754","0.0008","11.0744","0.001","90","","91.65","0.01","90","","653.06","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C22 H28 F4 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0449","0.0385","","","0.0958","0.0985","","","","","","1.022","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106976","10.764","0.003","11.55","0.003","17.936","0.004","90","","93.857","0.003","90","","2224.8","1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H45 N Ni P2 -","- C58 H45 N Ni P2 -","- C116 H90 N2 Ni2 P4 -","2","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.038","0.034","","","0.0894","0.0926","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107009","9.8858","0.0002","8.2382","0.0001","13.6521","0.0002","90","","93.48","0.001","90","","1109.79","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","1.54178","CuKα","","0.0308","0.0298","","","0.0728","0.0734","","","","","","1.006","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107010","10.79","0.002","19.669","0.005","12.151","0.003","90","","114.153","0.005","90","","2353","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 Br N2 O5 -","- C27 H21 Br N2 O5 -","- C108 H84 Br4 N8 O20 -","4","2","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","0.71073","MoKα","","0.079","0.0578","","","0.1283","0.1384","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107014","15.318","0.0004","11.4327","0.0003","16.0022","0.0004","90","","117.601","0.001","90","","2483.48","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0425","0.0419","","","0.115","0.1159","","","","","","1.072","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107015","15.3223","0.0005","11.4272","0.0003","16.0413","0.0005","90","","117.824","0.002","90","","2483.96","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0702","0.0687","","","0.1715","0.1724","","","","","","1.099","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107019","8.5144","0.0002","5.8077","0.0002","13.3132","0.0004","90","","108.292","0.001","90","","625.06","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0258","0.0257","","","0.0661","0.0663","","","","","","1.063","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107020","8.5149","0.001","5.8102","0.0007","13.3204","0.0016","90","","108.261","0.005","90","","625.82","0.13","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0279","0.0277","","","0.0711","0.0714","","","","","","1.069","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107035","10.0994","0.0007","13.1141","0.0009","18.8097","0.0013","90","","93.723","0.0008","90","","2486","0.3","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C96 H144 O40 -","8","4","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0461","0.038","","","0.0865","0.0904","","","","","","1.029","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107050","12.4449","0.0013","18.0315","0.0019","12.9712","0.0013","90","","117.313","0.002","90","","2586.2","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C56 H80 Cl4 F48 Ir4 N8 O20 P8 -","2","1","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0434","0.0353","","","0.076","0.0797","","","","","","0.995","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107063","9.1662","0.001","9.2425","0.001","9.8195","0.0011","90","","97.343","0.002","90","","825.07","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0407","0.0362","","","0.0929","0.0966","","","","","","1.033","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107092","14.586","0.002","14.058","0.002","16.988","0.002","90","","102.1","0.04","90","","3406","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H63 F24 O2 P2 Rh -","- C67 H63 F24 O2 P2 Rh -","- C134 H126 F48 O4 P4 Rh2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71073","MoKα","","0.0877","0.0716","","","0.1397","0.1463","","","","","","1.201","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107098","10.7416","0.0001","13.5111","0.0002","17.9314","0.0002","90","","99.51","0.001","90","","2566.63","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 B F20 O P Zr -","- C56 H48 B F20 O P Zr -","- C112 H96 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0389","0.0327","","","0.07","0.0735","","","","","","1.045","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107153","9.6585","0.0012","8.3766","0.001","13.0807","0.0015","90","","97.107","0.004","90","","1050.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Br O5 -","- C23 H25 Br O5 -","- C46 H50 Br2 O10 -","2","1","","Joseph Moran; Austin G. Smith; Ryan M. Carris; Jeffrey S. Johnson; Michael J. Krische","Polarity Inversion of Donor-Acceptor Cyclopropanes: Disubstituted δ-Lactones via Enantioselective Iridium Catalysis","Journal of the American Chemical Society","2011","133","","18618","18621","10.1021/ja2090993","","","0.71075","MoKα","","0.0365","0.0332","","","0.0748","0.0768","","","","","","1.079","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107158","12.375","0.003","21.468","0.004","14.592","0.003","90","","107.58","0.03","90","","3695.6","1.5","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H95 Ge2 K N2 O2 Si2 -","- C80 H95 Ge2 K N2 O2 Si2 -","- C160 H190 Ge4 K2 N4 O4 Si4 -","2","1","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0718","0.049","","","0.0823","0.0912","","","","","","1.073","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107168","21.2913","0.0006","23.7666","0.0008","21.8524","0.0009","90","","100.523","0.003","90","","10871.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[((iPrNHC)Cu-CO2-SiMe2Ph)(pinB-CO2-SiMe2Ph)]","","","- C53.5 H76 B Cu N2 O6 Si2 -","- C53.5 H76 B Cu N2 O6 Si2 -","- C428 H608 B8 Cu8 N16 O48 Si16 -","8","4","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.1156","0.0732","","","0.1681","0.193","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107179","8.735","0.004","15.966","0.008","13.967","0.007","90","","99.947","0.006","90","","1918.6","1.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H30 Cl2 O8 P2 -","- C45 H30 Cl2 O8 P2 -","- C90 H60 Cl4 O16 P4 -","2","1","","Norie Momiyama; Tohru Konno; Yuichi Furiya; Takeaki Iwamoto; Masahiro Terada","Design of Chiral Bis-phosphoric Acid Catalyst Derived from (R)-3,3'-Di(2-hydroxy-3-arylphenyl)binaphthol: Catalytic Enantioselective Diels-Alder Reaction of α,β-Unsaturated Aldehydes with Amidodienes","Journal of the American Chemical Society","2011","133","","19294","19297","10.1021/ja2081444","","","0.71073","MoKα","","0.0727","0.0554","","","0.1257","0.136","","","","","","1.03","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107190","14.3818","0.0006","6.4515","0.0003","15.0178","0.0006","90","","103.037","0.002","90","","1357.5","0.1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 S Si -","- C27 H39 N O4 S Si -","- C54 H78 N2 O8 S2 Si2 -","2","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","1.54178","CuKα","","0.075","0.0711","","","0.1743","0.19","","","","","","1.089","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107219","8.2308","0.0017","13.698","0.003","8.5629","0.0018","90","","92.556","0.004","90","","964.5","0.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","MoKα","","0.0475","0.0401","","","0.0955","0.101","","","","","","1.03","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107223","8.5","0.0008","10.8183","0.0011","11.1606","0.0011","90","","106.575","0.002","90","","983.63","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07054","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0782","0.0809","","","","","","1.013","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107244","6.0794","0.0006","9.541","0.001","13.1014","0.0013","90","","102.299","0.002","90","","742.49","0.13","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C30 H34 Br2 O6 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.115","0.0588","","","0.1167","0.1984","","","","","","1.16","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107245","6.1744","0.0006","14.0656","0.0013","13.3422","0.0013","90","","96.472","0.002","90","","1151.34","0.19","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C48 H54 Br2 O8 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.1934","0.0556","","","0.1059","0.1862","","","","","","0.763","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107305","9.719","0.01","10.141","0.01","21.25","0.02","90","","98.578","0.016","90","","2071","4","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H59 Cl2 I O8 Si -","- C34 H59 Cl2 I O8 Si -","- C68 H118 Cl4 I2 O16 Si2 -","2","1","","Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn","Total Syntheses of the Assigned Structures of Lituarines B and C","Journal of the American Chemical Society","2008","130","","422","423","10.1021/ja078293k","","","0.71069","MoKα","","0.1211","0.0864","","","0.1985","0.2242","","","","","","1.086","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107389","10.345","0.006","9.391","0.005","10.985","0.006","90","","95.973","0.008","90","","1061.4","1","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H34 Mo N P3 -","- C18 H34 Mo N P3 -","- C36 H68 Mo2 N2 P6 -","2","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.0904","0.0869","","","0.2401","0.2437","","","","","","1.095","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107403","12.655","0.003","10.451","0.003","13.937","0.003","90","","95.035","0.005","90","","1836.2","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Br4 N4 Na O12 -","- C32 H32 Br4 N4 Na O12 -","- C64 H64 Br8 N8 Na2 O24 -","2","1","","Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi","The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads","Journal of the American Chemical Society","2008","130","","1944","1952","10.1021/ja076591b","","","0.71073","MoKα","","0.1198","0.0641","","","0.1206","0.144","","","","","","0.984","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107427","8.41004","0.00015","10.48964","0.00019","9.3145","0.00017","90","","107.815","0.0008","90","","782.31","0.02","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C30 H40 Br2 N2 O6 -","2","1","","Yushi Futamura; Ryuichi Sawa; Yoji Umezawa; Masayuki Igarashi; Hikaru Nakamura; Kimiko Hasegawa; Mikio Yamasaki; Etsu Tashiro; Yoshikazu Takahashi; Yuzuru Akamatsu; Masaya Imoto","Discovery of Incednine as a Potent Modulator of the Anti-apoptotic Function of Bcl-xL from Microbial Origin","Journal of the American Chemical Society","2008","130","","1822","1823","10.1021/ja710124p","","","1.54187","CuKα","","","0.0362","","","","0.1076","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107430","7.775","0.0008","5.3753","0.0006","12.1491","0.0013","90","","102.836","0.002","90","","495.06","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C14 H30 N6 O10 -","2","1","","Manish A. Mehta; Matthew T. Eddy; Seth A. McNeill; Frank D. Mills; Joanna R. Long","Determination of Peptide Backbone Torsion Angles Using Double-Quantum Dipolar Recoupling Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2008","130","","2202","2212","10.1021/ja074244w","","","0.71073","MoKα","","0.0265","0.0262","","","0.0731","0.0735","","","","","","1.079","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107443","12.922","0.003","15.436","0.003","12.93","0.003","90","","109.481","0.003","90","","2431.4","0.9","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H46 B9 Cl6 N P2 Rh S -","- C43 H46 B9 Cl6 N P2 Rh S -","- C86 H92 B18 Cl12 N2 P4 Rh2 S2 -","2","1","","Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro","Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster","Journal of the American Chemical Society","2008","130","","2148","2149","10.1021/ja078197j","","","0.71073","MoKα","","0.0814","0.0644","","","0.1306","0.1387","","","","","","1.044","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107445","12.1576","0.0014","8.1424","0.0008","13.3921","0.0015","90","","107.226","0.001","90","","1266.2","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O7 -","- C28 H31 N O7 -","- C56 H62 N2 O14 -","2","1","","Pixu Li; Cory D. Evans; Yongzhong Wu; Bin Cao; Ernest Hamel; Madeleine M. Joullié","Evolution of the Total Syntheses of Ustiloxin Natural Products and Their Analogues","Journal of the American Chemical Society","2008","130","","2351","2364","10.1021/ja710363p","","","0.71069","MoKα","","0.0321","0.0303","","","0.073","0.0744","","","","","","1.087","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107452","8.4315","0.0006","8.5602","0.0006","15.7898","0.0011","90","","99.113","0.001","90","","1125.25","0.14","220","2","220","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pt-complex","Pt-complex","","- C19 H28 N2 O8 Pt S -","- C19 H28 N2 O8 Pt S -","- C38 H56 N4 O16 Pt2 S2 -","2","1","","Julia R. Khusnutdinova; Laura L. Newman; Peter Y. Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov","Direct C(sp3)-O Reductive Elimination of Olefin Oxides from PtIV-Oxetanes Prepared by Aerobic Oxidation of PtII Olefin Derivatives (Olefin = cis-Cyclooctene, Norbornene)","Journal of the American Chemical Society","2008","130","","2174","2175","10.1021/ja7107323","","","0.71073","MoKα","","0.0154","0.0144","","","0.0344","0.0347","","","","","","0.998","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107459","10.4903","0.0007","10.5136","0.0007","12.9337","0.0008","90","","107.703","0.004","90","","1358.92","0.16","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Br O4 -","- C15 H13 Br O4 -","- C60 H52 Br4 O16 -","4","2","","Ravi P. Singh; Keith Bartelson; Yi Wang; Heng Su; Xiaojie Lu; Li Deng","Enantioselective Diels-Alder Reaction of Simple α,β-Unsaturated Ketones with a Cinchona Alkaloid Catalyst","Journal of the American Chemical Society","2008","130","","2422","2423","10.1021/ja078251w","","","0.71073","MoKα","","0.0557","0.0424","","0.0852","0.0778","0.0852","","","","","","1.0657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107460","12.2732","0.0009","10.6002","0.0007","13.1907","0.0009","90","","95.895","0.003","90","","1707","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 Br2 Cl2 O10 -","- C34 H32 Br2 Cl2 O10 -","- C68 H64 Br4 Cl4 O20 -","2","1","","Ravi P. Singh; Keith Bartelson; Yi Wang; Heng Su; Xiaojie Lu; Li Deng","Enantioselective Diels-Alder Reaction of Simple α,β-Unsaturated Ketones with a Cinchona Alkaloid Catalyst","Journal of the American Chemical Society","2008","130","","2422","2423","10.1021/ja078251w","","","0.71073","MoKα","","0.0707","0.0437","","0.0907","0.0715","0.0907","","","","","","0.8504","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107467","9.1882","0.0005","33.022","0.002","10.3371","0.0005","90","","100.31","0.005","90","","3085.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H79 N12 O26 P3 -","- C48 H55 N12 O26 P3 -","- C96 H110 N24 O52 P6 -","2","1","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Enrico Faggi; Claudia Giorgi; Samuele Santarelli; Barbara Valtancoli","Polyfunctional Binding of Thymidine 5'-Triphosphate with a Synthetic Polyammonium Receptor Containing Aromatic Groups. Crystal Structure of the Nucleotide-Receptor Adduct","Journal of the American Chemical Society","2008","130","","2440","2441","10.1021/ja7106977","","","0.71069","MoKα","","0.1202","0.07","","","0.1639","0.1756","","","","","","0.922","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107493","7.3647","0.0003","9.5326","0.0005","15.7688","0.0007","90","","100.179","0.002","90","","1089.62","0.09","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O7 -","- C22 H19 Br N2 O7 -","- C44 H38 Br2 N4 O14 -","2","1","","Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische","Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands","Journal of the American Chemical Society","2008","130","","2746","2747","10.1021/ja710862u","","","0.7107","MoKα","","0.035","0.0281","","","0.0552","0.058","","","","","","1.026","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107522","9.4383","0.0003","18.625","0.0006","18.2581","0.0006","90","","100.527","0.003","90","","3155.54","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 Fe N4 -","- C36 H44 Fe N4 -","- C144 H176 Fe4 N16 -","4","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0627","0.0457","","","0.0976","0.1042","","","","","","1.03","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107523","9.3884","0.0003","18.4602","0.0006","18.3906","0.0006","90","","100.704","0.003","90","","3131.85","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 Co N4 -","- C36 H44 Co N4 -","- C144 H176 Co4 N16 -","4","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0456","0.0349","","","0.0777","0.082","","","","","","1.013","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107553","15.8951","0.0008","14.5628","0.0008","18.0542","0.001","90","","92.806","0.002","90","","4174.1","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","{(PNP)Cu}2{SbF6}","","","- C72 H120 Cl Cu2 F6 N2 P4 Sb -","- C74 H124 Cl4 Cu1.9744 F6 N2.061 P4 Sb -","- C148 H248 Cl8 Cu3.9488 F12 N4.122 P8 Sb2 -","2","1","","Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters","Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)","Journal of the American Chemical Society","2008","130","","3478","3485","10.1021/ja076537v","","","0.71073","MoKα","","0.0915","0.0615","","","0.0913","0.0949","","","","","","1.581","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107554","6.1938","0.0008","10.7636","0.0014","19.644","0.003","90","","91.99","0.003","90","","1308.8","0.3","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H38 O7 -","- C27 H38 O7 -","- C54 H76 O14 -","2","1","","Hongmei Li; Patrick J. Carroll; Patrick J. Walsh","Generation and Tandem Reactions of 1-Alkenyl-1,1-Heterobimetallics: Practical and Versatile Reagents for Organic Synthesis","Journal of the American Chemical Society","2008","130","","3521","3531","10.1021/ja077664u","","","0.71069","MoKα","","0.0556","0.0351","","","0.0606","0.0711","","","","","","0.769","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107555","8.7021","0.0015","9.4331","0.0015","10.3597","0.0018","90","","105.999","0.004","90","","817.5","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Hongmei Li; Patrick J. Carroll; Patrick J. Walsh","Generation and Tandem Reactions of 1-Alkenyl-1,1-Heterobimetallics: Practical and Versatile Reagents for Organic Synthesis","Journal of the American Chemical Society","2008","130","","3521","3531","10.1021/ja077664u","","","0.71069","MoKα","","0.0437","0.0302","","","0.0596","0.0636","","","","","","0.859","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107611","9.9356","0.0008","14.7888","0.0012","13.7171","0.0012","90","","100.961","0.001","90","","1978.8","0.3","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl2 N4 O Zr -","- C36 H62 Cl2 N4 O Zr -","- C72 H124 Cl4 N8 O2 Zr2 -","2","1","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0233","0.0221","","","0.0563","0.057","","","","","","1.054","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107612","10.049","0.0009","14.7969","0.0013","13.7501","0.0012","90","","101.533","0.002","90","","2003.3","0.3","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Br2 N4 O Zr -","- C36 H62 Br2 N4 O Zr -","- C72 H124 Br4 N8 O2 Zr2 -","2","1","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0399","0.0368","","","0.1043","0.1066","","","","","","1.08","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107617","8.059","0.002","14.32","0.004","11.9","0.004","90","","105.66","0.03","90","","1322.3","0.7","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy~2~Q)(OH)]ClO~4~ . CH~3~CN","hydroxo(N,N-bis(2-pyridylmethyl)amine-N-ethyl-2-quinoline-2- carboxamido)manganese(III) perchlorate acetonitrile solvate","","- C26 H26 Cl Mn N6 O6 -","- C26 H26 Cl Mn N6 O6 -","- C52 H52 Cl2 Mn2 N12 O12 -","2","1","","Aura A. Eroy-Reveles; Yvonne Leung; Christine M. Beavers; Marilyn M. Olmstead; Pradip K. Mascharak","Near-Infrared Light Activated Release of Nitric Oxide from Designed Photoactive Manganese Nitrosyls: Strategy, Design, and Potential as NO Donors","Journal of the American Chemical Society","2008","130","","4447","4458","10.1021/ja710265j","","","0.71073","MoKα","","0.0393","0.0326","","","0.0681","0.0702","","","","","","0.986","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107621","11.549","0.0002","21.146","0.0004","18.496","0.0004","90","","98.478","0.001","90","","4467.64","0.15","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound_7a","Potassium 18-Crown-6 [(2-(Fluorodimethylsilyl)phenyl]fluorodimesitylborate","","- C42 H64 B F2 K O7 Si -","- C42 H64 B F2 K O7 Si -","- C168 H256 B4 F8 K4 O28 Si4 -","4","2","","Atsushi Kawachi; Atsushi Tani; Junpei Shimada; Yohsuke Yamamoto","Synthesis of B/Si Bidentate Lewis Acids, o-(Fluorosilyl)(dimesitylboryl)benzenes, and Their Fluoride Ion Affinity","Journal of the American Chemical Society","2008","130","","4222","4223","10.1021/ja710615r","","","0.71069","MoKα","","0.0686","0.053","","","0.1408","0.1683","","","","","","1.193","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107625","9.9865","0.0008","15.9335","0.0008","13.252","0.002","90","","95.115","0.009","90","","2100.3","0.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C47 H48 Fe N6 O4 P -","- C47 H48 Fe N6 O4 P -","- C94 H96 Fe2 N12 O8 P2 -","2","1","","Victor Polshin; Delia-Laura Popescu; Andreas Fischer; Arani Chanda; David C. Horner; Evan S. Beach; Jennifer Henry; Yong-Li Qian; Colin P. Horwitz; Gabor Lente; Istvan Fabian; Eckard Münck; Emile L. Bominaar; Alexander D. Ryabov; Terrence J. Collins","Attaining Control by Design over the Hydrolytic Stability of Fe-TAML Oxidation Catalysts","Journal of the American Chemical Society","2008","130","","4497","4506","10.1021/ja7106383","","","0.71073","MoKα","","0.0572","0.04","","","0.0817","0.0922","","","","","","1.109","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107647","8.7138","0.0002","13.5579","0.0005","10.428","0.0003","90","","103.066","0.002","90","","1200.08","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 F4 N2 O8 S -","- C21 H20 F4 N2 O8 S -","- C42 H40 F8 N4 O16 S2 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0765","0.072","","","0.2124","0.2171","","","","","","1.802","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107659","9.5352","0.0003","6.865","0.0002","15.2561","0.0005","90","","100.276","0.001","90","","982.63","0.05","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl O5 -","- C20 H23 Cl O5 -","- C40 H46 Cl2 O10 -","2","1","","Petteri Elsner; Luca Bernardi; Giorgio Dela Salla; Jacob Overgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Conjugate Addition to Allenic Esters and Ketones","Journal of the American Chemical Society","2008","130","","4897","4905","10.1021/ja710689c","","x-ray","0.71073","MoKα","","0.0402","0.0326","","","0.0668","0.0691","","","","","","1.063","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107660","6.4832","0.0004","10.6951","0.0007","10.6979","0.0005","90","","94.28","0.002","90","","739.71","0.08","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Petteri Elsner; Luca Bernardi; Giorgio Dela Salla; Jacob Overgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Conjugate Addition to Allenic Esters and Ketones","Journal of the American Chemical Society","2008","130","","4897","4905","10.1021/ja710689c","","x-ray","0.71073","MoKα","","0.0272","0.0245","","","0.0586","0.06","","","","","","1.081","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107697","9.1441","0.001","11.2146","0.0012","13.2384","0.0014","90","","106.311","0.002","90","","1302.9","0.2","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 Br N2 O6 -","- C28 H31 Br N2 O6 -","- C56 H62 Br2 N4 O12 -","2","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0359","0.0293","","","0.0647","0.0681","","","","","","1.027","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107710","8.1971","0.0016","12.382","0.002","8.2137","0.0016","90","","96.243","0.004","90","","828.7","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Br N O3 -","- C17 H18 Br N O3 -","- C34 H36 Br2 N2 O6 -","2","1","","Peng Fu; Marc L. Snapper; Amir H. Hoveyda","Catalytic Asymmetric Alkylations of Ketoimines. Enantioselective Synthesis of N-Substituted Quaternary Carbon Stereogenic Centers by Zr-Catalyzed Additions of Dialkylzinc Reagents to Aryl-, Alkyl-, and Trifluoroalkyl-Substituted Ketoimines","Journal of the American Chemical Society","2008","130","","5530","5541","10.1021/ja8001343","","","0.71073","MoKα","","0.0603","0.0492","","","0.1275","0.1342","","","","","","1.056","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107732","10.251","0.003","9.229","0.002","14.677","0.004","90","","110.152","0.004","90","","1303.5","0.6","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N O6 P -","- C28 H30 N O6 P -","- C56 H60 N2 O12 P2 -","2","1","","Yuan-Qing Fang; Eric N. Jacobsen","Cooperative, Highly Enantioselective Phosphinothiourea Catalysis of Imine-Allene [3 + 2] Cycloadditions","Journal of the American Chemical Society","2008","130","","5660","5661","10.1021/ja801344w","","","0.71073","MoKα","","0.0347","0.0318","","","0.0777","0.0799","","","","","","1.036","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107755","8.817","0.003","16.056","0.005","9.01","0.003","90","","108.558","0.007","90","","1209.2","0.7","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 Cu N7 O3 -","- C22 H34 Cu N7 O3 -","- C44 H68 Cu2 N14 O6 -","2","1","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","","0.0736","","","","0.2063","","","","","","2.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107793","10.3242","0.0007","21.0858","0.0015","10.6792","0.0007","90","","107.73","","90","","2214.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H64 N6 O9 -","- C42 H64 N6 O9 -","- C84 H128 N12 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","MoKα","","0.0502","0.0434","","","0.109","0.1127","","","","","","1.05","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107794","10.2391","0.0009","21.1012","0.0018","10.6255","0.0009","90","","108.968","0.001","90","","2171.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H62 N6 O9 -","- C41 H62 N6 O9 -","- C82 H124 N12 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0458","0.0383","","","0.0937","0.0997","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107795","10.4365","0.0009","20.2299","0.0018","10.8443","0.0009","90","","114.053","0.001","90","","2090.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H62 N6 O9 -","- C41 H62 N6 O9 -","- C82 H124 N12 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0363","0.035","","","0.0907","0.0922","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107806","8.4773","0.0013","13.378","0.002","16.47","0.003","90","","91.413","0.002","90","","1867.3","0.5","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Br N2 O5 -","- C19 H19 Br N2 O5 -","- C76 H76 Br4 N8 O20 -","4","2","","Gregory T. Notte; James L. Leighton","A New Silicon Lewis Acid for Highly Enantioselective Mannich Reactions of Aliphatic Ketone-Derived Hydrazones","Journal of the American Chemical Society","2008","130","","6676","6677","10.1021/ja800830h","","","0.71073","MoKα","","0.0786","0.0588","","","0.1657","0.1762","","","","","","1.032","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107807","9.0685","0.0013","9.322","0.0013","12.3235","0.0018","90","","94.955","0.002","90","","1037.9","0.3","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 F3 N2 O3 -","- C22 H23 F3 N2 O3 -","- C44 H46 F6 N4 O6 -","2","1","","Gregory T. Notte; James L. Leighton","A New Silicon Lewis Acid for Highly Enantioselective Mannich Reactions of Aliphatic Ketone-Derived Hydrazones","Journal of the American Chemical Society","2008","130","","6676","6677","10.1021/ja800830h","","","0.71073","MoKα","","0.1884","0.0731","","","0.1227","0.152","","","","","","1.035","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107836","5.9784","0.0009","22.907","0.003","14.639","0.002","90","","97.816","0.002","90","","1986.1","0.5","","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","parc0105a","","","- C24 H19 N O9 -","- C24 H19 N O9 -","- C96 H76 N4 O36 -","4","2","","Craig A. Parish; Scott K. Smith; Kathleen Calati; Deborah Zink; Kenneth Wilson; Terry Roemer; Bo Jiang; Deming Xu; Gerald Bills; Gonzalo Platas; Fernando Peláez; Maria Teresa Díez; Nancy Tsou; Arlene E. McKeown; Richard G. Ball; Mary Ann Powles; Lai Yeung; Paul Liberator; Guy Harris","Isolation and Structure Elucidation of Parnafungins, Antifungal Natural Products that Inhibit mRNA Polyadenylation","Journal of the American Chemical Society","2008","130","","7060","7066","10.1021/ja711209p","","","","MoKα","","","0.0477","","","","0.1192","","","","","","1.015","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107865","18.532","0.004","11.479","0.003","19.262","0.005","90","","101.379","0.002","90","","4017","1.7","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H76 La Li3 O11 -","- C80 H76 La Li3 O11 -","- C160 H152 La2 Li6 O22 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0767","0.0585","","","0.1237","0.1357","","","","","","1.035","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107866","13.36","0.0008","13.5347","0.0008","23.0661","0.0015","90","","101.927","0.001","90","","4080.9","0.4","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C100 H76 La Li3 N6 O6 -","- C100 H76 La Li3 N8 O6 -","- C200 H152 La2 Li6 N16 O12 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0334","0.0308","","","0.0742","0.0768","","","","","","1.082","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107868","18.2048","0.0006","11.4818","0.0004","18.9389","0.0007","90","","100.19","0.001","90","","3896.2","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H76 Eu Li3 O11 -","- C80 H76 Eu Li3 O11 -","- C160 H152 Eu2 Li6 O22 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71073","MoKα","","0.0536","0.0518","","","0.1584","0.1608","","","","","","1.151","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107872","18.2837","0.0013","11.4684","0.0008","19.0027","0.0014","90","","100.562","0.002","90","","3917.1","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H76 Li3 O11 Pr -","- C80 H76 Li3 O11 Pr -","- C160 H152 Li6 O22 Pr2 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.054","0.0477","","","0.1161","0.1235","","","","","","1.097","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107884","13.563","0.0011","11.4777","0.0009","13.6129","0.001","90","","105.522","0.003","90","","2041.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","LCCFormOH","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","2","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","1.54178","CuKα","","0.027","0.0266","","","0.0691","0.0694","","","","","","1.046","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107886","14.0002","0.0008","6.891","0.0004","14.3433","0.0008","90","","98.124","0.003","90","","1369.89","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","JS-3","","","- C26 H36 N O7 Si -","- C26 H36 N O7 Si -","- C52 H72 N2 O14 Si2 -","2","1","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","1.54178","CuKα","","0.034","0.0317","","","0.0811","0.0825","","","","","","1.057","","","","has coordinates","278044","2022-09-21","13:27:52",""
"4107907","7.5059","0.0009","7.1184","0.0009","10.6757","0.0013","90","","90.675","0.002","90","","570.36","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Peng Liu; Sungwoo Hong; Steven M. Weinreb","Total Synthesis of the Securinega Alkaloid (-)-Secu'amamine A","Journal of the American Chemical Society","2008","130","","7562","7563","10.1021/ja802700z","","","0.71073","MoKα","","0.0406","0.038","","","0.0987","0.101","","","","","","1.06","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107926","9.6828","0.0011","9.2447","0.0011","14.8343","0.0018","90","","90.683","0.002","90","","1327.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N5 O5 -","- C23 H41 N5 O5 -","- C46 H82 N10 O10 -","2","1","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","MoKα","","0.0644","0.0457","","","0.1162","0.1363","","","","","","1.144","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107927","9.3424","0.0013","29.882","0.004","9.8152","0.0014","90","","91.02","0.002","90","","2739.7","0.7","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H45 N5 O6 -","- C24 H45 N5 O6 -","- C96 H180 N20 O24 -","4","2","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","MoKα","","0.1581","0.1437","","","0.3609","0.3759","","","","","","0.994","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107940","4.919","0.003","7.856","0.008","18.784","0.007","90","","91.27","0.04","90","","725.7","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Acetamido-2-deoxyglucosylchloroacetamide monohydrate","N-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)chloroacetamide monohydrate","","- C10 H19 Cl N2 O7 -","- C10 H19 Cl N2 O7 -","- C20 H38 Cl2 N4 O14 -","2","1","","Mohamed Mohamed Naseer Ali; Udayanath Aich; Babu Varghese; Anne Imberty","Conformational Preferences of the Aglycon Moiety in Models and Analogs of GlcNAc-Asn Linkage: Crystal Structures and ab Initio Quantum Chemical Calculations of N-(β-d-Glycopyranosyl)haloacetamides","Journal of the American Chemical Society","2008","130","","8317","8325","10.1021/ja800335m","","","0.71073","MoKα","","0.0803","0.0512","","","0.1377","0.1842","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107972","19.2325","0.0004","9.97896","0.00018","31.6956","0.0006","90","","106.072","0.0007","90","","5845.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C312 H276 N12 O24 -","12","6","","Yuki Nishioka; Takumi Yamaguchi; Masaki Kawano; Makoto Fujita","Asymmetric [2 + 2] Olefin Cross Photoaddition in a Self-Assembled Host with Remote Chiral Auxiliaries","Journal of the American Chemical Society","2008","130","","8160","8161","10.1021/ja802818t","","","1.54186","CuKα","","0.0569","0.0384","","","0.0828","0.0998","","","","","","1.064","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107995","12.935","","23.242","0.0012","12.935","0.0005","90","","90","","90","","3888.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H28 N4 O12 Zn2 -","- C56 H28 N4 O12 Zn2 -","- C112 H56 N8 O24 Zn4 -","2","1","","Omar K. Farha; Karen L. Mulfort; Alison M. Thorsness; Joseph T. Hupp","Separating Solids: Purification of Metal-Organic Framework Materials","Journal of the American Chemical Society","2008","130","","8598","8599","10.1021/ja803097e","","","0.71073","MoKα","","0.176","0.0981","","","0.2275","0.2438","","","","","","0.779","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108019","9.015","0.001","5.568","0.001","10.058","0.001","90","","103.214","0.003","90","","491.5","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H9 F2 N3 O4 -","- C8 H9 F2 N3 O4 -","- C16 H18 F4 N6 O8 -","2","1","","Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez","Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State","Journal of the American Chemical Society","2008","130","","9048","9057","10.1021/ja800964g","","","1.54178","CuKα","","0.0307","0.0302","","","0.077","0.0776","","","","","","1.074","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108086","13.4974","0.0001","18.8077","0.0002","14.1387","0.0001","90","","96.092","0.001","90","","3568.91","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","CU05-038","Bis[(1R,2R)-2-(2-phenyl-1H-pyrrol-1-yl)cyclohexylamino]methaniminium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Di(propan-2-ol) Solvate","","- C71 H68 B F24 N5 O2 -","- C71 H68 B F24 N5 O2 -","- C142 H136 B2 F48 N10 O4 -","2","1","","Christopher Uyeda; Eric N. Jacobsen","Enantioselective Claisen Rearrangements with a Hydrogen-Bond Donor Catalyst","Journal of the American Chemical Society","2008","130","","9228","9229","10.1021/ja803370x","","","0.71073","MoKα","","0.059","0.0436","","","0.1028","0.1119","","","","","","1.014","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108114","7.2048","0.001","16.46","0.002","11.8821","0.0016","90","","96.673","0.003","90","","1399.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Al B9 N -","- C6 H21 Al B9 N -","- C24 H84 Al4 B36 N4 -","4","2","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.12","0.0579","","","0.1392","0.1658","","","","","","0.994","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108126","7.2273","0.0011","9.3866","0.0014","10.973","0.0016","90","","96.481","0.002","90","","739.65","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 I N O -","- C16 H14 I N O -","- C32 H28 I2 N2 O2 -","2","1","","Donna K. Friel; Marc L. Snapper; Amir H. Hoveyda","Aluminum-Catalyzed Asymmetric Alkylations of Pyridyl-Substituted Alkynyl Ketones with Dialkylzinc Reagents","Journal of the American Chemical Society","2008","130","","9942","9951","10.1021/ja802935w","","","0.71073","MoKα","","0.0269","0.0252","","","0.0581","0.0589","","","","","","1.063","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108134","14.406","0.002","12.042","0.002","14.641","0.002","90","","117.741","0.004","90","","2247.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","[(C2H5)4N][C(NH2)3]7[3(CO3)][C3N2H2(COO)2]","","","- C23 H64 N24 O13 -","- C23 H64 N24 O13 -","- C46 H128 N48 O26 -","2","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1559","0.0627","","","0.1313","0.1646","","","","","","1.053","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108137","13.121","0.004","10.154","0.003","20.248","0.006","90","","95.209","0.007","90","","2686.5","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","[(C2H5)4N][C(NH2)3][(C6H3)2(COOH)2(COO)]","","","- C50 H68 N8 O16 -","- C50 H48 N8 O16 -","- C100 H96 N16 O32 -","2","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1177","0.0668","","","0.1834","0.2139","","","","","","1.002","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108152","10.9095","0.0005","8.7279","0.0003","11.7292","0.0004","90","","93.999","0.002","90","","1114.1","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 S2 -","- C24 H23 N O6 S2 -","- C48 H46 N2 O12 S4 -","2","1","","Ana López-Pérez; Javier Adrio; Juan C. Carretero","Bis-Sulfonyl Ethylene as Masked Acetylene Equivalent in Catalytic Asymmetric [3 + 2] Cycloaddition of Azomethine Ylides","Journal of the American Chemical Society","2008","130","","10084","10085","10.1021/ja804021m","","","1.54178","CuKα","","0.0402","0.0385","","","0.0961","0.0975","","","","","","1.022","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108183","11.689","0.018","8.154","0.013","16.11","0.02","90","","94.01","0.02","90","","1532","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 Br F6 O4 P -","- C11 H10 Br F6 O4 P -","- C44 H40 Br4 F24 O16 P4 -","4","2","","Joshua P. Abell; Hisashi Yamamoto","Catalytic Enantioselective Pudovik Reaction of Aldehydes and Aldimines with Tethered Bis(8-quinolinato) (TBOx) Aluminum Complex","Journal of the American Chemical Society","2008","130","","10521","10523","10.1021/ja803859p","","","0.71073","MoKα","","0.0636","0.0392","","","0.0842","0.0897","","","","","","0.896","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108184","9.4671","0.0009","6.2402","0.0008","12.0915","0.0012","90","","108.33","0.003","90","","678.08","0.13","173.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O -","- C19 H16 O -","- C38 H32 O2 -","2","1","","Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2008","130","","10498","10499","10.1021/ja8038745","","","0.71075","MoKα","","","0.0699","","","","0.121","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108191","15.9983","0.001","13.3268","0.0007","16.9705","0.0011","90","","100.218","0.001","90","","3560.8","0.4","296.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H32 B Cl N8 P Ru -","- C37 H32 B Cl N8 P Ru -","- C148 H128 B4 Cl4 N32 P4 Ru4 -","4","2","","Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi","N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species","Journal of the American Chemical Society","2008","130","","10508","10509","10.1021/ja804095u","","","0.7107","MoKα","","","0.0454","","","","0.1181","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108199","9.801","0.002","6.4441","0.0013","21.491","0.004","90","","97.21","0.03","90","","1346.6","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O4 -","- C31 H38 O4 -","- C62 H76 O8 -","2","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.089","0.0625","","","0.1247","0.1346","","","","","","1.074","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108201","9.84","0.002","6.75","0.0013","18.509","0.004","90","","104.63","0.03","90","","1189.5","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C52 H64 O8 -","2","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1175","0.0743","","","0.1523","0.1693","","","","","","1.113","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108204","10.971","0.002","7.6978","0.0015","11.741","0.002","90","","97.31","0.03","90","","983.5","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C46 H44 O10 -","2","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1132","0.0817","","","0.1359","0.1473","","","","","","1.185","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108213","11.9572","0.0008","6.0501","0.0004","16.5672","0.0014","90","","110.727","0.004","90","","1120.94","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","TRN-4-128-44","","","- C23 H25 I N3 O4 -","- C23 H25 I N3 O4 -","- C46 H50 I2 N6 O8 -","2","1","","Timothy Newhouse; Phil S. Baran","Total Synthesis of (\±)-Psychotrimine","Journal of the American Chemical Society","2008","130","","10886","10887","10.1021/ja8042307","","","1.54178","CuKα","","0.0299","0.0283","","","0.072","0.0727","","","","","","1.024","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4108220","9.9228","0.0004","16.81","0.0007","10.3137","0.0004","90","","99.89","0.001","90","","1694.78","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 Ir O P2 -","- C37 H53 Ir O P2 -","- C74 H106 Ir2 O2 P4 -","2","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0177","0.0169","","","0.0419","0.0419","","","","","","0.882","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108258","8.765","0.003","25.083","0.008","9.466","0.003","90","","93.771","0.006","90","","2076.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H80 Li4 N4 -","- C36 H80 Li4 N4 -","- C72 H160 Li8 N8 -","2","1","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of n-BuLi Adducts with (R,R)-TMCDA and the Consequences for the Deprotonation of Benzene","Journal of the American Chemical Society","2008","130","","11719","11725","10.1021/ja8017187","","","0.71073","MoKα","","0.0712","0.0592","","","0.1557","0.1635","","","","","","1.031","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108282","8.135","0.001","12.229","0.002","16.238","0.002","90","","98.11","0.001","90","","1599.2","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 O7 Ru S2 -","- C30 H40 O7 Ru S2 -","- C60 H80 O14 Ru2 S4 -","2","1","","Alexey B. Zaitsev; Stefan Gruber; Pascal A. Plüss; Paul S. Pregosin; Luis F. Veiros; Michael Wörle","Fast and Highly Regioselective Allylation of Indole and Pyrrole Compounds by Allyl Alcohols Using Ru-Sulfonate Catalysts","Journal of the American Chemical Society","2008","130","","11604","11605","10.1021/ja804379k","","","0.71073","MoKα","","0.0812","0.0493","","","0.0971","0.1121","","","","","","1.054","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108300","6.6325","0.0003","20.7126","0.0008","9.5998","0.0004","90","","93.054","0.002","90","","1316.91","0.1","193","2","193","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C13 H26 B Cl2 F4 Fe2 N O4 P2 S2 -","- C13 H26 B Cl2 F4 Fe2 N O4 P2 S2 -","- C26 H52 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","2","1","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.039","0.0315","","","0.0667","0.07","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108357","10.9697","0.0005","5.1144","0.0003","11.8901","0.0006","90","","100.446","0.001","90","","656.02","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Le Li; Eric G. Klauber; Daniel Seidel","Catalytic Enantioselective Aldol Additions of α-Isothiocyanato Imides to Aldehydes","Journal of the American Chemical Society","2008","130","","12248","12249","10.1021/ja804838y","","","0.71073","MoKα","","0.0285","0.0279","","","0.0707","0.0711","","","","","","1.003","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108404","15.2879","0.0004","12.7171","0.0004","20.9195","0.0007","90","","103.167","0.001","90","","3960.2","0.2","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H70 Cl8 K N4 O26 V5 -","- C56 H52 Cl8 K N4 O26 V5 -","- C112 H104 Cl16 K2 N8 O52 V10 -","2","1","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.1114","0.0768","","","0.1905","0.2152","","","","","","1.071","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108405","15.2137","0.0004","12.7086","0.0003","21.7372","0.0006","90","","107.063","0.001","90","","4017.78","0.18","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H52 Cl8 Cs N4 O21 V5 -","- C52 H52 Cl8 Cs N4 O21 V5 -","- C104 H104 Cl16 Cs2 N8 O42 V10 -","2","1","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.057","0.0419","","","0.1009","0.1066","","","","","","0.973","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108419","8.5863","0.0013","10.8754","0.0017","9.9485","0.0016","90","","111.535","0.002","90","","864.1","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","","M. Kevin Brown; Amir H. Hoveyda","Enantioselective Total Synthesis of Clavirolide C. Applications of Cu-Catalyzed Asymmetric Conjugate Additions and Ru-Catalyzed Ring-Closing Metathesis","Journal of the American Chemical Society","2008","130","","12904","12906","10.1021/ja8058414","","","0.71073","MoKα","","0.1046","0.0593","","","0.0896","0.1029","","","","","","1.014","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108420","9.328","0.002","10.513","0.003","9.388","0.002","90","","98.241","0.004","90","","911.1","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","M. Kevin Brown; Amir H. Hoveyda","Enantioselective Total Synthesis of Clavirolide C. Applications of Cu-Catalyzed Asymmetric Conjugate Additions and Ru-Catalyzed Ring-Closing Metathesis","Journal of the American Chemical Society","2008","130","","12904","12906","10.1021/ja8058414","","","0.71073","MoKα","","0.0998","0.0581","","","0.0846","0.0967","","","","","","1.013","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108477","11.5465","0.0008","16.9259","0.0007","27.4768","0.0015","90","","91.208","0.002","90","","5368.7","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 I N O -","- C13 H20 I N O -","- C208 H320 I16 N16 O16 -","16","8","","Douglas C. Beshore; Amos B. Smith","The Lyconadins: Enantioselective Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2008","130","","13778","13789","10.1021/ja804939r","","","0.71069","MoKα","","0.056","0.0504","","","0.1286","0.1369","","","","","","1.039","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108516","10.8292","0.0004","19.6626","0.0008","15.1761","0.0006","90","","103.504","0.001","90","","3142.1","0.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C48 H59 Cl4 Cu4 I6 K2 N O8 S2 -","- C48 H59 Cl4 Cu4 I6 K2 N O8 S2 -","- C96 H118 Cl8 Cu8 I12 K4 N2 O16 S4 -","2","1","","Jai Young Lee; Hyun Jee Kim; Jong Hwa Jung; Wonbo Sim; Shim Sung Lee","Networking of Calixcrowns: From Heteronuclear Endo/Exocyclic Coordination Polymers to A Photoluminescence Switch","Journal of the American Chemical Society","2008","130","","13838","13839","10.1021/ja805337n","","","0.71073","MoKα","","0.0837","0.0491","","","0.0973","0.1201","","","","","","1.05","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108545","19.6903","0.0004","19.7776","0.0005","19.8704","0.0005","90","","119.714","0.0011","90","","6720.6","0.3","110.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C164 H83 Cl6 F36 N9 -","- C164 H83 Cl6 F36 N9 -","- C328 H166 Cl12 F72 N18 -","2","1","","Kazukuni Tahara; Takumi Fujita; Motohiro Sonoda; Motoo Shiro; Yoshito Tobe","Donors and Acceptors Based on Triangular Dehydrobenzo[12]annulenes: Formation of a Triple-Layered Rosette Structure by a Charge-Transfer Complex","Journal of the American Chemical Society","2008","130","","14339","14345","10.1021/ja804604y","","","1.54187","CuKα","","0.0845","0.0566","","","0.143","0.1622","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108561","8.789","0.004","12.145","0.005","13.013","0.005","90","","108.875","0.005","90","","1314.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 Fe P Si2 -","- C24 H39 Fe P Si2 -","- C48 H78 Fe2 P2 Si4 -","2","1","","Arnaud Voituriez; Armen Panossian; Nicolas Fleury-Brégeot; Pascal Retailleau; Angela Marinetti","2-Phospha[3]ferrocenophanes with Planar Chirality: Synthesis and Use in Enantioselective Organocatalytic [3 + 2] Cyclizations","Journal of the American Chemical Society","2008","130","","14030","14031","10.1021/ja806060a","","","0.71069","MoKα","","0.0806","0.0528","","","0.1074","0.1205","","","","","","1.068","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108562","11.36","0.003","50.827","0.012","13.745","0.003","90","","90.208","0.005","90","","7936","3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H48 N2 O10 S -","- C40 H48 N2 O10 S -","- C320 H384 N16 O80 S8 -","8","4","","Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi","Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","14088","14089","10.1021/ja806311e","","","0.71073","MoKα","","0.0884","0.0653","","","0.1618","0.1789","","","","","","1.021","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108579","10.636","0.005","9.558","0.004","13.761","0.006","90","","92.638","0.008","90","","1397.4","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O4 S -","- C30 H27 Br N2 O4 S -","- C60 H54 Br2 N4 O8 S2 -","2","1","","Xiao-Xia Yan; Qian Peng; Qing Li; Kai Zhang; Jun Yao; Xue-Long Hou; Yun-Dong Wu","Highly Diastereoselective Switchable Enantioselective Mannich Reaction of Glycine Derivatives with Imines","Journal of the American Chemical Society","2008","130","","14362","14363","10.1021/ja804527r","","","0.71073","MoKα","","0.1239","0.0698","","","0.1615","0.189","","","","","","0.865","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108581","5.3896","0.0008","9.8022","0.0015","9.3448","0.0013","90","","90.939","0.006","90","","493.62","0.13","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C20 H36 O4 -","2","1","","Bruce H. Lipshutz; Benjamin Amorelli; John B. Unger","CuH-Catalyzed Enantioselective Intramolecular Reductive Aldol Reactions Generating Three New Contiguous Asymmetric Stereocenters","Journal of the American Chemical Society","2008","130","","14378","14379","10.1021/ja8045475","","","1.54178","CuKα","","0.0806","0.0804","","","0.2081","0.2087","","","","","","1.036","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108642","7.5475","0.0015","18.249","0.004","8.2324","0.0016","90","","102.21","0.03","90","","1108.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl2 N2 O6 -","- C20 H26 Cl2 N2 O6 -","- C40 H52 Cl4 N4 O12 -","2","1","","K. C. Nicolaou; Stephen M. Dalby; Utpal Majumder","A Concise Asymmetric Total Synthesis of Aspidophytine","Journal of the American Chemical Society","2008","130","","14942","14943","10.1021/ja806176w","","","0.71073","MoKα","","0.0597","0.0498","","","0.1291","0.1367","","","","","","1.057","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108706","10.3598","0.0002","22.2422","0.0003","10.8117","0.0002","90","","104.302","0.001","90","","2414.07","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H31 Cl F6 N3 Pd Sb -","- C20 H31 Cl F6 N3 Pd Sb -","- C80 H124 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0709","0.0503","","","0.0842","0.0864","","","","","","1.664","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108708","9.75","0.0005","21.3471","0.001","13.1934","0.0006","90","","91.426","0.001","90","","2745.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H35 Cl F6 N3 Pd Sb -","- C25 H35 Cl F6 N3 Pd Sb -","- C100 H140 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0505","0.044","","","0.0763","0.0772","","","","","","2.14","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4108709","14.8633","0.0003","13.4427","0.0003","15.0189","0.0003","90","","98.541","0.001","90","","2967.54","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl5 F3 N2 O Pd -","- C25 H36 Cl5 F3 N2 O Pd -","- C100 H144 Cl20 F12 N8 O4 Pd4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0826","0.0401","","","0.0608","0.0669","","","","","","0.987","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108711","10.7694","0.0004","13.1518","0.0005","11.4564","0.0004","90","","105.682","0.001","90","","1562.25","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H40 Cl2 F6 N2 O2 Pd -","- C32 H40 Cl2 F6 N2 O2 Pd -","- C64 H80 Cl4 F12 N4 O4 Pd2 -","2","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0489","0.0375","","","0.0708","0.0733","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108750","9.153","0.0018","17.736","0.004","11.175","0.002","90","","90.96","0.03","90","","1813.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 B10 P2 Ru -","- C36 H44 B10 P2 Ru -","- C72 H88 B20 P4 Ru2 -","2","1","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0373","0.031","","","0.0776","0.081","","","","","","1.024","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108766","11.2171","0.0009","12.4867","0.001","18.0424","0.0014","90","","103.933","0.001","90","","2452.7","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H41 B F20 Ir P S -","- C51 H41 B F20 Ir P S -","- C102 H82 B2 F40 Ir2 P2 S2 -","2","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0272","0.0244","","","0.0538","0.0548","","","","","","0.921","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108770","8.7058","0.001","13.9305","0.0016","9.1612","0.001","90","","94.954","0.003","90","","1106.9","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C46 H54 N2 O12 S2 -","2","1","","Elizabeth C. Linton; Marisa C. Kozlowski","Catalytic Enantioselective Meerwein-Eschenmoser Claisen Rearrangement: Asymmetric Synthesis of Allyl Oxindoles","Journal of the American Chemical Society","2008","130","","16162","16163","10.1021/ja807026z","","","0.71073","MoKα","","0.0495","0.0442","","","0.1074","0.113","","","","","","1.05","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108787","11.2836","0.0002","9.1586","0.0001","11.5208","0.0002","90","","117.414","0.002","90","","1056.88","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 B Br N O3 -","- C25 H17 B Br N O3 -","- C50 H34 B2 Br2 N2 O6 -","2","1","","Peter F. Kaiser; Jonathan M. White; Craig A. Hutton","Enantioselective Preparation of a Stable Boronate Complex Stereogenic Only at Boron","Journal of the American Chemical Society","2008","130","","16450","16451","10.1021/ja8044629","","","1.54184","CuKα","","0.0321","0.0315","","","0.0872","0.0876","","","","","","0.986","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108831","9.9855","0.0017","8.2071","0.0014","24.322","0.004","90","","90.099","0.003","90","","1993.2","0.6","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2R)-[3-Oxo-2-(2-oxo-oxazolidine-3-carbonyl) -1-phenyl-butyl]-carbamic acid benzyl ester","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","2","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","16858","16860","10.1021/ja806875c","","","0.71073","MoKα","","0.0386","0.0355","","","0.0885","0.0908","","","","","","1.058","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108912","9.6923","0.0005","9.4608","0.0004","15.6706","0.0007","90","","93.158","0.002","90","","1434.76","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N4 O7.5 -","- C29 H35 N4 O7.5 -","- C58 H70 N8 O15 -","2","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","Mo-Kα","","0.0738","0.0429","","","0.0949","0.1058","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108940","13.116","0.003","11.381","0.002","15.075","0.003","90","","97.42","0.005","90","","2231.4","0.8","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H62 N2 O8 Si2 -","- C43 H62 N2 O8 Si2 -","- C86 H124 N4 O16 Si4 -","2","1","","Cuixiang Sun; Qiu Wang; Jason D. Brubaker; Peter M. Wright; Christian D. Lerner; Kevin Noson; Mark Charest; Dionicio R. Siegel; Yi-Ming Wang; Andrew G. Myers","A Robust Platform for the Synthesis of New Tetracycline Antibiotics","Journal of the American Chemical Society","2008","130","","17913","17927","10.1021/ja806629e","","","0.71073","MoKα","","0.1216","0.052","","","0.1028","0.124","","","","","","0.757","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108942","7.4638","0.0015","12.957","0.003","10.29","0.002","90","","100.64","0.03","90","","978","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl N2 S -","- C21 H21 Cl N2 S -","- C42 H42 Cl2 N4 S2 -","2","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0573","0.0481","","","0.1173","0.1231","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4108947","8.8284","0.0008","10.9857","0.001","9.6627","0.0009","90","","108.057","0.001","90","","890.99","0.14","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0437","0.0377","","","0.0877","0.0934","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108972","14.6499","0.0003","14.5155","0.0003","19.163","0.0004","90","","90.96","0.001","90","","4074.45","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H80 Cu2 I2 P4 -","- C96 H80 Cu2 I2 P4 -","- C192 H160 Cu4 I4 P8 -","2","1","","Shun-Yi Wang; Shun-Jun Ji; Teck-Peng Loh","Cu(I) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of Grignard Reagents and Unsaturated Esters","Journal of the American Chemical Society","2007","129","","276","277","10.1021/ja0666046","","","0.71073","MoKα","","0.0844","0.0365","","","0.0674","0.0925","","","","","","1.022","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108979","7.88","0.02","7.034","0.012","13.89","0.03","90","","97.6","0.03","90","","763","3","193.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 F N O4 -","- C18 H14 F N O4 -","- C36 H28 F2 N2 O8 -","2","1","","Masato Ito; Ayaka Sakaguchi; Chika Kobayashi; Takao Ikariya","Chemoselective Hydrogenation of Imides Catalyzed by Cp*Ru(PN) Complexes and Its Application to the Asymmetric Synthesis of Paroxetine","Journal of the American Chemical Society","2007","129","","290","291","10.1021/ja067777y","","","0.7107","MoKα","","","0.051","","","","0.154","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108989","17.0582","0.0018","15.5874","0.0017","14.5782","0.0016","90","","98.29","0.002","90","","3835.7","0.7","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H30 Cl2 F20 N6 O6 Zn2 -","- C78 H30 Cl2 F20 N6 O6 Zn2 -","- C156 H60 Cl4 F40 N12 O12 Zn4 -","2","1","","Masaaki Suzuki; Atsuhiro Osuka","Cross-Bridging Reaction of 5,20-Diethynyl Substituted Hexaphyrins to Vinylene-Bridged Hexaphyrins","Journal of the American Chemical Society","2007","129","","464","465","10.1021/ja067102v","","","0.71073","MoKα","","0.126","0.0912","","","0.2555","0.292","","","","","","1.06","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108996","8.44","0.0015","7.1595","0.0013","10.6031","0.0018","90","","100.891","0.003","90","","629.16","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C26 H28 Br2 N2 O2 -","2","1","","Andre J. B. Lapierre; Steven J. Geib; Dennis P. Curran","Low-Temperature Heck Reactions of Axially Chiral o-Iodoacrylanilides Occur with Chirality Transfer: Implications for Catalytic Asymmetric Heck Reactions","Journal of the American Chemical Society","2007","129","","494","495","10.1021/ja067790i","","","0.71073","MoKα","","0.077","0.0528","","","0.1269","0.1398","","","","","","0.967","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108998","6.7838","0.0003","5.0683","0.0002","20.4498","0.0009","90","","94.454","0.002","90","","700.99","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Jennifer E. Davoren; Stephen F. Martin","Enantioselective Synthesis and Structure Revision of Solandelactone E","Journal of the American Chemical Society","2007","129","","510","511","10.1021/ja068270q","","","0.71073","MoKα","","0.1403","0.0573","","","0.1073","0.1301","","","","","","1.012","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109051","12.4366","0.0017","25.409","0.003","12.862","0.003","90","","113.313","0.012","90","","3732.6","1.2","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H70 Cl4 N12 O19 Pd2 Ru2 -","- C64 H48 Cl4 N12 O19 Pd2 Ru2 -","- C128 H96 Cl8 N24 O38 Pd4 Ru4 -","2","1","","Fabrice Pointillart; Cyrille Train; Françoise Villain; Patrick Gredin; Lise-Marie Chamoreau; Michel Gruselle; Gabriel Aullon; Santiago Alvarez; Michel Verdaguer","Six-fold Oxygen-Coordinated Triplet (S= 1) Palladium(II) Moieties Templated by Tris(bipyridine)ruthenium(II) Ions","Journal of the American Chemical Society","2007","129","","1327","1334","10.1021/ja066817v","","","0.71073","MoKα","","0.0781","0.0578","","0.0801","0.0645","0.0645","","","","","","1.077","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109054","10.035","0.0002","6.3816","0.0001","13.8107","0.0003","90","","108.672","0.001","90","","837.88","0.03","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","(E)-5-Benzoyloxymethylenecyclohex-3-ene-1,1-dicarboxylic Acid Dimethyl Ester","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","","Hahn Kim; Stephen D. Goble; Chulbom Lee","Ruthenium-Catalyzed Carboxylative Cyclization of 1,6-Diynes","Journal of the American Chemical Society","2007","129","","1030","1031","10.1021/ja067336e","","","0.71073","MoKα","","0.0546","0.0439","","0.1092","","0.0983","","","1.09","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109082","10.419","0.005","7.186","0.003","12.309","0.006","90","","91.26","0.02","90","","921.4","0.7","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H12 Br4 O2 -","- C20 H12 Br4 O2 -","- C40 H24 Br8 O4 -","2","1","","Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes","Journal of the American Chemical Society","2007","129","","1492","1493","10.1021/ja068488c","","","0.71075","MoKα","","","0.0471","","","","0.0611","","","","","","1.341","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109083","12.21","0.01","4.332","0.003","16.228","0.012","90","","100.52","0.03","90","","843.9","1.1","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 Br2 O5 -","- C18 H16 Br2 O5 -","- C36 H32 Br4 O10 -","2","1","","Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes","Journal of the American Chemical Society","2007","129","","1492","1493","10.1021/ja068488c","","","0.71075","MoKα","","","0.0664","","","","0.0877","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109093","10.486","0.0001","22.622","0.0003","19.816","0.0003","90","","92.417","0.001","90","","4696.46","0.1","396","2","396","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52 N2 O P2 Ru -","- C56 H52 N2 O P2 Ru -","- C224 H208 N8 O4 P8 Ru4 -","4","2","","Suzanne Burling; Belinda M. Paine; Devendrababu Nama; Victoria S. Brown; Mary F. Mahon; Timothy J. Prior; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","CH Activation Reactions of Ruthenium N-Heterocyclic Carbene Complexes: Application in a Catalytic Tandem Reaction Involving CC Bond Formation from Alcohols","Journal of the American Chemical Society","2007","129","","1987","1995","10.1021/ja065790c","","","0.71073","MoKα","","0.075","0.0421","","","0.0742","0.082","","","","","","1.014","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109125","10.9895","0.0002","5.4546","0.0001","16.1924","0.0001","90","","93.642","0.001","90","","968.67","0.03","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H8 N2 -","- C13 H8 N2 -","- C52 H32 N8 -","4","2","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.079","0.0587","","","0.1447","0.1554","","","","","","1.032","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109126","6.187","0.004","7.662","0.006","16.21","0.01","90","","92.49","0.02","90","","767.7","0.9","293.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C44 H24 S4 -","2","1","","Tatsuya Yamamoto; Kazuo Takimiya","Facile Synthesis of Highly π-Extended Heteroarenes, Dinaphtho[2,3-b:2',3'-f]chalcogenopheno[3,2-b]chalcogenophenes, and Their Application to Field-Effect Transistors","Journal of the American Chemical Society","2007","129","","2224","2225","10.1021/ja068429z","","","0.7107","MoKα","","","0.044","","","","0.068","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109130","16.029","0.004","13.029","0.003","17.866","0.006","90","","103.364","0.011","90","","3630.1","1.7","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H23 F12 N O3 S -","- C42 H23 F12 N O3 S -","- C168 H92 F48 N4 O12 S4 -","4","2","","Takashi Ooi; Kohsuke Ohmatsu; Keiji Maruoka","Catalytic Asymmetric Rearrangement of α,α-Disubstituted α-Siloxy Aldehydes to Optically Active Acyloins Using Axially Chiral Organoaluminum Lewis Acids","Journal of the American Chemical Society","2007","129","","2410","2411","10.1021/ja063051q","","","0.71075","MoKα","","","0.0506","","","","0.1341","","","","","","1.326","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109134","15.777","0.003","11.349","0.002","30.139","0.006","90","","105.16","0.01","90","","5208.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butylamidophenyltris-(1-tert-butyl-imidazol-2-ylidene)boratocobalt(II)","","- C31 H47 B Co N7 -","- C10.9412 H16.8824 B0.352941 Co0.352941 N2.47059 -","- C186 H287 B6 Co6 N42 -","17","8.5","","Ryan E. Cowley; Ranko P. Bontchev; John Sorrell; Orcino Sarracino; Yanhua Feng; Haobin Wang; Jeremy M. Smith","Formation of a Cobalt(III) Imido from a Cobalt(II) Amido Complex. Evidence for Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2007","129","","2424","2425","10.1021/ja066899n","","","0.71073","MoKα","","0.0657","0.0537","","","0.1563","0.1664","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109154","10.06","0.004","7.049","0.003","10.34","0.004","90","","93.678","0.006","90","","731.7","0.5","273.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O -","- C16 H21 Br O -","- C32 H42 Br2 O2 -","2","1","","Britton K. Corkey; F. Dean Toste","Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes","Journal of the American Chemical Society","2007","129","","2764","2765","10.1021/ja068723r","","","0.7107","MoKα","","0.1289","0.0667","","0.1104","","0.0829","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109155","9.94","0.002","19.177","0.004","16","0.003","90","","107.734","0.002","90","","2905","1","153.2","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl6 F6 O8 P2 Pd S2 -","- C54.8 H46 Cl6 F6 O8 P2 Pd S2 -","- C109.6 H92 Cl12 F12 O16 P4 Pd2 S4 -","2","1","","Britton K. Corkey; F. Dean Toste","Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes","Journal of the American Chemical Society","2007","129","","2764","2765","10.1021/ja068723r","","","0.7107","MoKα","","0.0473","0.0344","","0.0394","","0.0373","","","","","","1.431","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109243","10.475","0.002","22.938","0.005","9.1934","0.0018","90","","113.49","0.03","90","","2025.9","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","2","","Jennifer M. Schomaker; Andrea R. Geiser; Rui Huang; Babak Borhan","Tetrasubstituted Pyrrolidines via a Tandem Aza-Payne/Hydroamination Reaction","Journal of the American Chemical Society","2007","129","","3794","3795","10.1021/ja068077w","","","0.71073","MoKα","","0.0496","0.0339","","","0.0998","0.1116","","","","","","0.812","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109246","10.133","0.002","8.577","0.0017","10.561","0.002","90","","110.95","0.03","90","","857.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl F N O S -","- C18 H17 Cl F N O S -","- C36 H34 Cl2 F2 N2 O2 S2 -","2","1","","Qi-Xiang Guo; Hua Liu; Chang Guo; Shi-Wei Luo; Yi Gu; Liu-Zhu Gong","Chiral Brønsted Acid-Catalyzed Direct Asymmetric Mannich Reaction","Journal of the American Chemical Society","2007","129","","3790","3791","10.1021/ja068236b","","","0.71073","MoKα","","0.0404","0.0349","","","0.0822","0.0877","","","","","","1.107","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109253","8.023","0.0016","15.755","0.003","9.998","0.002","90","","96.71","0.03","90","","1255.1","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O10 -","- C32 H26 O10 -","- C64 H52 O20 -","2","1","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.054","0.0515","","","0.1314","0.1336","","","","","","1.11","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109256","11.628","0.002","13.227","0.003","12.373","0.003","90","","115.55","0.03","90","","1716.9","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H43 N O13 -","- C36 H37 N O13 -","- C72 H74 N2 O26 -","2","1","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.1102","0.0708","","","0.1419","0.1597","","","","","","1.041","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109257","10.56","0.002","17.366","0.004","22.721","0.005","90","","92.79","0.03","90","","4161.8","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32.5 H25 O10.17 -","- C32.5 H25 O10.1667 -","- C195 H150 O61 -","6","3","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.1463","0.0779","","","0.1497","0.1765","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109260","9.4184","0.0008","23.1859","0.0019","15.4165","0.0013","90","","90.805","0.005","90","","3366.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Ala-Aib-Gpn-Aib-Ala-OMe","","","- C29 H51 N5 O8 -","- C29 H51 N5 O8 -","- C116 H204 N20 O32 -","4","2","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.1201","0.0855","","","0.1844","0.2","","","","","","1.124","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109266","9.846","0.007","10.339","0.007","10.806","0.007","90","","110.974","0.01","90","","1027.1","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Gpn-Aib-OH","","","- C18 H32 N2 O5 -","- C18 H32 N2 O5 -","- C36 H64 N4 O10 -","2","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0413","0.0387","","","0.1006","0.1023","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109295","5.4978","0.0003","17.7771","0.0007","13.4393","0.0006","90","","101.985","0.0015","90","","1284.86","0.1","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O8 -","- C27 H23 Br N2 O8 -","- C54 H46 Br2 N4 O16 -","2","1","","Masahiro Inoue; Masahisa Nakada","Structure Elucidation and Enantioselective Total Synthesis of the Potent HMG-CoA Reductase Inhibitor FR901512 via Catalytic Asymmetric Nozaki-Hiyama Reactions","Journal of the American Chemical Society","2007","129","","4164","4165","10.1021/ja070812w","","","0.71075","MoKα","","","0.0285","","","","0.0559","","","","","","0.674","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109350","13.554","0.005","12.809","0.005","22.151","0.008","90","","99.081","0.005","90","","3798","2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H85 Cl4 N6 Ni3 O34 -","- C54 H85 Cl4 N6 Ni3 O34 -","- C108 H170 Cl8 N12 Ni6 O68 -","2","1","","Da-Wei Fu; Yu-Mei Song; Guo-Xi Wang; Qiong Ye; Ren-Gen Xiong; Tomoyuki Akutagawa; Takayoshi Nakamura; Philip Wai Hong Chan; Songping D. Huang","Dielectric Anisotropy of a Homochiral Trinuclear Nickel(II) Complex","Journal of the American Chemical Society","2007","129","","5346","5347","10.1021/ja0701816","","","0.71073","MoKα","","0.0872","0.0643","","","0.1364","0.1427","","","","","","1.033","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109365","10.0151","0.0003","9.6694","0.0002","11.7012","0.0003","90","","108.036","0.0015","90","","1077.46","0.05","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C44 H56 N4 O12 -","2","1","","Hongjun Ren; Guillaume Dunet; Peter Mayer; Paul Knochel","Highly Diastereoselective Synthesis of Homoallylic Alcohols Bearing Adjacent Quaternary Centers Using Substituted Allylic Zinc Reagents","Journal of the American Chemical Society","2007","129","","5376","5377","10.1021/ja071380s","","","0.71073","MoKα","","0.0528","0.0401","","","0.0866","0.0943","","","","","","1.041","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109393","11.6538","0.0009","9.9677","0.0007","17.1839","0.0012","90","","96.481","0.002","90","","1983.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H26 F12 N4 Ni -","- C48 H26 F12 N4 Ni -","- C96 H52 F24 N8 Ni2 -","2","1","","Chao Liu; Dong-Mei Shen; Qing-Yun Chen","Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins","Journal of the American Chemical Society","2007","129","","5814","5815","10.1021/ja070855c","","","0.71073","MoKα","","0.0902","0.0568","","","0.0932","0.108","","","","","","0.735","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109418","9.8412","0.0002","17.0571","0.0003","15.9482","0.0004","90","","99.163","0.001","90","","2642.94","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H32 B Ir N6 O3 -","- C25 H32 B Ir N6 O3 -","- C100 H128 B4 Ir4 N24 O12 -","4","2","","Margarita Gómez; Margarita Paneque; Manuel L. Poveda; Eleuterio Alvarez","Transition Metal Migration upon Attempting the Wolff Rearrangement of an Ir(III) Five-Membered Metallacycle","Journal of the American Chemical Society","2007","129","","6092","6093","10.1021/ja070360n","","","0.71073","MoKα","","0.0594","0.0462","","","0.101","0.1062","","","","","","1.01","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109432","11.348","0.004","6.44","0.002","13.186","0.005","90","","98.097","0.016","90","","954","0.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 I N O4 -","- C17 H26 I N O4 -","- C34 H52 I2 N2 O8 -","2","1","","Xin Jiang; Bo Liu; Sylvain Lebreton; Jef K. De Brabander","Total Synthesis and Structure Revision of the Marine Metabolite Palmerolide A","Journal of the American Chemical Society","2007","129","","6386","6387","10.1021/ja0715142","","","0.71069","MoKα","","0.042","0.0398","","","0.1072","0.1113","","","","","","0.84","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109447","9.8198","0.0009","13.232","0.0012","11.0184","0.001","90","","116.414","0.001","90","","1282.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 B N7 P Ru -","- C23 H33 B N7 P Ru -","- C46 H66 B2 N14 P2 Ru2 -","2","1","","Nicholas A. Foley; Marty Lail; John P. Lee; T. Brent Gunnoe; Thomas R. Cundari; Jeffrey L. Petersen","Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene","Journal of the American Chemical Society","2007","129","","6765","6781","10.1021/ja068542p","","","0.71073","MoKα","","0.0484","0.0449","","","0.1097","0.1123","","","","","","1.028","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109451","8.8065","0.0014","20.935","0.003","11.1771","0.0018","90","","91.779","0.002","90","","2059.7","0.6","293","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","Plutonium(IV) 1,2-HOPO complex","","","- C35 H32 Cl N7 O20 Pu2 -","- C35 H32 Cl N7 O20 Pu2 -","- C70 H64 Cl2 N14 O40 Pu4 -","2","1","","Anne E. V. Gorden; Jide Xu; Géza Szigethy; Allen Oliver; David K. Shuh; Kenneth N. Raymond","Characterization of a Mixed Salt of 1-Hydroxypyridin-2-one Pu(IV) Complexes1","Journal of the American Chemical Society","2007","129","","6674","6675","10.1021/ja070168l","","","0.71073","synchrotron","","0.0316","0.0312","","","0.0795","0.0797","","","","","","1.034","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109453","14.0576","0.0015","14.3539","0.0015","15.6358","0.0016","90","","92.163","0.002","90","","3152.8","0.6","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H32 D6 I N O2 P2 Pd -","- C30 H38 I N O2 P2 Pd -","- C120 H152 I4 N4 O8 P8 Pd4 -","4","2","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0375","0.0331","","","0.0867","0.0901","","","","","","0.946","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109454","9.4976","0.0008","9.5461","0.0008","11.7991","0.001","90","","90.303","0.002","90","","1069.75","0.16","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O P -","- C23 H33 O P -","- C46 H66 O2 P2 -","2","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0612","0.0491","","","0.1328","0.1415","","","","","","0.79","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109458","14.9713","0.001","9.4608","0.0006","15.0844","0.001","90","","102.237","0.001","90","","2088","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O P -","- C23 H33 O P -","- C92 H132 O4 P4 -","4","2","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.04","0.0361","","","0.0924","0.0956","","","","","","1.013","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109459","12.332","0.004","17.224","0.005","13.244","0.004","90","","114.109","0.004","90","","2567.7","1.4","200","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H76 F3 O5 P3 Pd S -","- C49 H76 F3 O5 P3 Pd S -","- C98 H152 F6 O10 P6 Pd2 S2 -","2","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0686","0.0591","","","0.1151","0.1182","","","","","","1.138","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109502","6.433","0.002","5.4926","0.0017","16.535","0.005","90","","97.711","0.005","90","","579","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C22 H28 N4 O6 -","2","1","","Dushyant Mukkamala; Yong Zhang; Eric Oldfield","A Solid State 13C NMR, Crystallographic, and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins","Journal of the American Chemical Society","2007","129","","7385","7392","10.1021/ja071227y","","","0.71073","MoKα","","0.0674","0.0399","","","0.0854","0.0954","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109505","8.207","0.002","27.329","0.007","15.559","0.002","90","","104.792","0.01","90","","3374.1","1.3","120","0.1","120","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","2004uv09sd02","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C168 H184 N8 O24 -","8","4","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.0673","0.0585","","","0.1478","0.1636","","","","","","1.064","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109507","7.572","0.005","10.001","0.005","11.441","0.005","90","0.005","101.246","0.005","90","0.005","849.8","0.8","293","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.033","0.0305","","","0.0757","0.0775","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109509","12.3969","0.0005","5.3641","0.0002","16.9165","0.0007","90","","103.524","0.002","90","","1093.73","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","2006sa04si04","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.077","0.0756","","","0.1793","0.1813","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109511","12.3586","0.0019","5.6122","0.0006","16.2206","0.0023","90","","98.289","0.009","90","","1113.3","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.0889","0.0386","","","0.0877","0.1065","","","","","","1.011","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109512","9.359","0.003","10.3678","0.0008","11.941","0.002","90","","104.583","0.016","90","","1121.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.54184","CuKα","","0.0738","0.0501","","","0.1137","0.1284","","","","","","1.079","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109514","9.1634","0.0005","10.9182","0.0006","11.5433","0.0006","90","","112.823","0.002","90","","1064.46","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71073","MoKα","","0.0737","0.0487","","","0.0852","0.0921","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109543","7.8274","0.0008","28.355","0.003","8.0627","0.0008","90","","97.861","0.002","90","","1772.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Cl N2 O2 -","- C21 H19 Cl N2 O2 -","- C84 H76 Cl4 N8 O8 -","4","2","","Jonathan Clayden; Jérémy Dufour; Damian M. Grainger; Madeleine Helliwell","Substituted Diarylmethylamines by Stereospecific Intramolecular Electrophilic Arylation of Lithiated Ureas","Journal of the American Chemical Society","2007","129","","7488","7489","10.1021/ja071523a","","","0.71073","MoKα","","0.0495","0.0441","","","0.1027","0.1055","","","","","","1.046","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109562","9.675","0.002","6.0983","0.0013","22.524","0.005","90","","102.402","0.003","90","","1297.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H32 O3 -","- C32 H32 O3 -","- C64 H64 O6 -","2","1","","Wen-Hua Zheng; Bao-Hui Zheng; Yan Zhang; Xue-Long Hou","Highly Regio-, Diastereo-, and Enantioselective Pd-Catalyzed Allylic Alkylation of Acyclic Ketone Enolates with Monosubstituted Allyl Substrates","Journal of the American Chemical Society","2007","129","","7718","7719","10.1021/ja071098l","","","0.71073","MoKα","","0.0891","0.0459","","","0.0897","0.1043","","","","","","0.767","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109670","10.8739","0.0002","14.2066","0.0003","16.5281","0.0004","90","","99.753","0.001","90","","2516.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H38 B2 Cl2 Cr N2 -","- C24 H38 B2 Cl2 Cr N2 -","- C96 H152 B8 Cl8 Cr4 N8 -","4","2","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.0302","0.0286","","","0.0703","0.0709","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109672","10.7402","0.0008","7.7821","0.0006","15.8286","0.0011","90","","97.715","0.004","90","","1311","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 Cr -","- C18 H16 Cr -","- C72 H64 Cr4 -","4","2","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.0336","0.0314","","","0.0854","0.0879","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109692","6.7613","0.0008","11.2542","0.0017","15.2264","0.001","90","","93.112","0.006","90","","1156.9","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.101","0.049","","","0.098","0.122","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109694","6.9589","0.0005","9.7764","0.0007","16.7107","0.0013","90","","90.564","0.003","90","","1136.82","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.088","0.076","","","0.132","0.138","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109695","12.3332","0.0007","6.8353","0.0005","15.6695","0.0011","90","","100.822","0.005","90","","1297.46","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H36 O5 S Si -","- C23 H36 O5 S Si -","- C46 H72 O10 S2 Si2 -","2","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.058","0.04","","","0.087","0.096","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109716","9.1739","0.0014","28.015","0.007","11.8908","0.0019","90","","104.154","0.018","90","","2963.2","1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H58 Li2 N4 -","- C26 H58 Li2 N4 -","- C104 H232 Li8 N16 -","4","2","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium","Journal of the American Chemical Society","2007","129","","8952","8953","10.1021/ja072970t","","","0.71073","MoKα","","0.0891","0.0522","","","0.0996","0.1093","","","","","","1.053","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109778","19.163","0.013","19.74","0.012","22.708","0.012","90","","106.49","0.03","90","","8237","9","153","2","153","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C136 H144 B0.67 F2 N4 O4 P4 Rh2 S4 -","- C136 H128 N4 O4 P4 Rh2 S4 -","- C272 H256 N8 O8 P8 Rh4 S8 -","2","1","","Martin S. Masar; Nathan C. Gianneschi; Christopher G. Oliveri; Charlotte L. Stern; SonBinh T. Nguyen; Chad A. Mirkin","Allosterically Regulated Supramolecular Catalysis of Acyl Transfer Reactions for Signal Amplification and Detection of Small Molecules","Journal of the American Chemical Society","2007","129","","10149","10158","10.1021/ja0711516","","","0.71073","MoKα","","0.2303","0.0861","","","0.2157","0.2787","","","","","","0.876","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109802","6.765","0.002","18.967","0.006","7.707","0.002","90","","90.286","0.005","90","","988.9","0.5","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","Tricyclic Lactone","","","- C11 H13 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","2","","Manabu Wadamoto; Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of α,α-Disubstituted Cyclopentenes by an N-Heterocyclic Carbene-Catalyzed Desymmetrization of 1,3-Diketones","Journal of the American Chemical Society","2007","129","","10098","10099","10.1021/ja073987e","","","0.71073","MoKα","","0.1871","0.1608","","","0.4399","0.4531","","","","","","1.655","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109803","9.2308","0.0005","23.025","0.0013","10.6007","0.0006","90","","92.971","0.001","90","","2250","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cyclopentene Absolute Structure","","","- C26 H24 Br N O2 -","- C26 H24 Br N O2 -","- C104 H96 Br4 N4 O8 -","4","2","","Manabu Wadamoto; Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of α,α-Disubstituted Cyclopentenes by an N-Heterocyclic Carbene-Catalyzed Desymmetrization of 1,3-Diketones","Journal of the American Chemical Society","2007","129","","10098","10099","10.1021/ja073987e","","","0.71073","MoKα","","0.0356","0.0305","","","0.0772","0.0798","","","","","","0.836","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109830","6.0259","0.0009","8.3222","0.0013","16.08","0.003","90","","98.31","0.002","90","","797.9","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Ying-Yeung Yeung; Rong-Jie Chein; E. J. Corey","Conversion of Torgov's Synthesis of Estrone into a Highly Enantioselective and Efficient Process","Journal of the American Chemical Society","2007","129","","10346","10347","10.1021/ja0742434","","","0.71073","MoKα","","0.0493","0.0469","","","0.1218","0.1236","","","","","","1.039","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109867","8.9216","0.0008","6.9662","0.0006","11.5578","0.001","90","","99.224","0.004","90","","709.02","0.11","228","2","228","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O7 -","- C14 H13 N O7 -","- C28 H26 N2 O14 -","2","1","","Hexin Xie; Liansuo Zu; Hao Li; Jian Wang; Wei Wang","Organocatalytic Enantioselective Cascade Michael-Alkylation Reactions: Synthesis of Chiral Cyclopropanes and Investigation of Unexpected Organocatalyzed Stereoselective Ring Opening of Cyclopropanes","Journal of the American Chemical Society","2007","129","","10886","10894","10.1021/ja073262a","","","0.71073","MoKα","","0.0367","0.0337","","","0.0763","0.0786","","","","","","0.966","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109868","11.5548","0.0007","14.7492","0.0008","11.6438","0.0007","90","","92.817","0.003","90","","1982","0.2","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","2","","Hexin Xie; Liansuo Zu; Hao Li; Jian Wang; Wei Wang","Organocatalytic Enantioselective Cascade Michael-Alkylation Reactions: Synthesis of Chiral Cyclopropanes and Investigation of Unexpected Organocatalyzed Stereoselective Ring Opening of Cyclopropanes","Journal of the American Chemical Society","2007","129","","10886","10894","10.1021/ja073262a","","","0.71073","MoKα","","0.1093","0.0353","","","0.0515","0.062","","","","","","0.742","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109896","9.9976","0.0006","8.4008","0.0003","10.7974","0.0006","90","","108.986","0.003","90","","857.52","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 O5 P S -","- C16 H23 O5 P S -","- C32 H46 O10 P2 S2 -","2","1","","Mohammad N. Noshi; Ahmad El-Awa; Eduardo Torres; Philip L. Fuchs","Conversion of Cyclic Vinyl Sulfones to Transposed Vinyl Phosphonates","Journal of the American Chemical Society","2007","129","","11242","11247","10.1021/ja072890p","","","0.71073","Mo-Kα","","0.047","0.039","","","0.091","0.096","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109936","7.706","0.005","19.351","0.012","10.746","0.007","90","","102.946","0.01","90","","1561.7","1.7","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H39 Br3 N2 Ni O4 -","- C27 H39 Br3 N2 Ni O4 -","- C54 H78 Br6 N4 Ni2 O8 -","2","1","","David A. Evans; Shizue Mito; Daniel Seidel","Scope and Mechanism of Enantioselective Michael Additions of 1,3-Dicarbonyl Compounds to Nitroalkenes Catalyzed by Nickel(II)-Diamine Complexes","Journal of the American Chemical Society","2007","129","","11583","11592","10.1021/ja0735913","","","0.71073","MoKα","","0.0622","0.0563","","","0.1495","0.1531","","","","","","1.114","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109962","8.4441","0.0011","15.338","0.002","8.825","0.0011","90","","95.774","0.002","90","","1137.2","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 B F N -","- C27 H35 B F N -","- C54 H70 B2 F2 N2 -","2","1","","Todd W. Hudnall; François P. Gabbaï","Ammonium Boranes for the Selective Complexation of Cyanide or Fluoride Ions in Water","Journal of the American Chemical Society","2007","129","","11978","11986","10.1021/ja073793z","","","0.71073","MoKα","","0.0668","0.0535","","","0.1419","0.1485","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109964","9.0623","0.0018","10.209","0.002","12.72","0.003","90","","94.17","0.03","90","","1173.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H37 N2 P Si -","- C21 H37 N2 P Si -","- C42 H74 N4 P2 Si2 -","2","1","","Cheuk-Wai So; Herbert W. Roesky; Prabhuodeyara M. Gurubasavaraj; Rainer B. Oswald; Michael T. Gamer; Peter G. Jones; Steffen Blaurock","Synthesis and Structures of Heteroleptic Silylenes","Journal of the American Chemical Society","2007","129","","12049","12054","10.1021/ja074019e","","","0.71073","MoKα","","0.0322","0.0283","","","0.0671","0.0683","","","","","","0.962","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109979","16.9153","0.0007","24.9724","0.001","17.949","0.0007","90","","90.054","0.002","90","","7581.9","0.5","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H125 N3 O21 W5 Zr -","- C57 H120 N3 O20.5 W5 Zr -","- C228 H480 N12 O82 W20 Zr4 -","4","2","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.71073","MoKα","","0.0541","0.0351","","","0.0617","0.0677","","","","","","1.017","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109983","10.6274","0.0003","11.7059","0.0004","15.3407","0.0006","90","","93.78","0.001","90","","1904.28","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H45 Br N4 O11 -","- C37 H45 Br N4 O11 -","- C74 H90 Br2 N8 O22 -","2","1","","Chi-Ming Cheung; Frederick W. Goldberg; Philip Magnus; Claire J. Russell; Rachel Turnbull; Vince Lynch","An Expedient Formal Total Synthesis of (-)-Diazonamide A via a Powerful, Stereoselective O-Aryl to C-Aryl Migration To Form the C10 Quaternary Center","Journal of the American Chemical Society","2007","129","","12320","12327","10.1021/ja0744448","","","0.71073","MoKα","","0.1407","0.0663","","","0.1099","0.1343","","","","","","1.051","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109990","9.9292","0.0011","9.5362","0.0011","11.6631","0.0013","90","","113.75","0.007","90","","1010.8","0.2","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C52 H44 N4 -","2","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54187","CuKα","","","0.0762","","","","0.2389","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109995","12.8633","0.0007","11.9036","0.0006","15.9329","0.0008","90","","94.89","0.004","90","","2430.8","0.2","193","","193","","","","","","","","","3","P 1 21 1","P 2yb","4","(M)-(-)-helicene-like-molecule","","","- C32 H22 O6 -","- C32 H22 O6 -","- C128 H88 O24 -","4","2","","Ken Tanaka; Akiyoshi Kamisawa; Takeshi Suda; Keiichi Noguchi; Masao Hirano","Rh-Catalyzed Synthesis of Helically Chiral and Ladder-Type Molecules via [2 + 2 + 2] and Formal [2 + 1 + 2 + 1] Cycloadditions Involving C-C Triple Bond Cleavage","Journal of the American Chemical Society","2007","129","","12078","12079","10.1021/ja074914y","","","1.54187","CuKα","","0.0542","0.04","","","0.0959","0.1059","","","","","","1.062","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110000","7.903","0.006","9.454","0.007","11.846","0.009","90","","97.736","0.012","90","","877","1.1","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 N -","- C20 H31 N -","- C40 H62 N2 -","2","1","","Arnab Roy; Frank G. Roberts; P. Ross Wilderman; Ke Zhou; Reuben J. Peters; Robert M. Coates","16-Aza-ent-beyerane and 16-Aza-ent-trachylobane: Potent Mechanism-Based Inhibitors of Recombinantent-Kaurene Synthase from Arabidopsis thaliana","Journal of the American Chemical Society","2007","129","","12453","12460","10.1021/ja072447e","","","0.71073","MoKα","","0.0616","0.0462","","","0.1138","0.1241","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110001","10.701","0.005","7.179","0.003","16.525","0.008","90","","104.052","0.007","90","","1231.5","1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 N4 O7 -","- C25 H34 N4 O7 -","- C50 H68 N8 O14 -","2","1","","Arnab Roy; Frank G. Roberts; P. Ross Wilderman; Ke Zhou; Reuben J. Peters; Robert M. Coates","16-Aza-ent-beyerane and 16-Aza-ent-trachylobane: Potent Mechanism-Based Inhibitors of Recombinantent-Kaurene Synthase from Arabidopsis thaliana","Journal of the American Chemical Society","2007","129","","12453","12460","10.1021/ja072447e","","","0.71073","MoKα","","0.0687","0.0443","","","0.1036","0.112","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110017","9.509","0.004","12.566","0.006","12.51","0.008","90","","106.781","0.018","90","","1431.2","1.3","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 Cl N O5 -","- C33 H30 Cl N O5 -","- C66 H60 Cl2 N2 O10 -","2","1","","Ryo Shintani; Masataka Murakami; Tamio Hayashi","γ-Methylidene-δ-valerolactones as a Coupling Partner for Cycloaddition: Palladium-Catalyzed [4 + 3] Cycloaddition with Nitrones","Journal of the American Chemical Society","2007","129","","12356","12357","10.1021/ja073997f","","","0.71075","MoKα","","","0.052","","","","0.0597","","","","","","0.909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110022","6.791","0.0007","13.8156","0.0013","8.818","0.0009","90","","95.531","0.002","90","","823.47","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07153a","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C36 H34 Cl2 N4 O6 -","2","1","","Barry M. Trost; Nicolai Cramer; Steven M. Silverman","Enantioselective Construction of Spirocyclic Oxindolic Cyclopentanes by Palladium-Catalyzed Trimethylenemethane-[3+2]-Cycloaddition","Journal of the American Chemical Society","2007","129","","12396","12397","10.1021/ja075335w","","","0.71073","MoKα","","0.0301","0.0283","","","0.0717","0.0731","","","","","","1.046","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110067","10.3477","0.0004","9.7315","0.0004","17.1742","0.0009","90","","96.03","0.002","90","","1719.85","0.13","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 Br N O2 S -","- C17 H18 Br N O2 S -","- C68 H72 Br4 N4 O8 S4 -","4","2","","Ming-Yu Ngai; Andriy Barchuk; Michael J. Krische","Enantioselective Iridium-Catalyzed Imine Vinylation: Optically Enriched Allylic Amines via Alkyne-Imine Reductive Coupling Mediated by Hydrogen","Journal of the American Chemical Society","2007","129","","12644","12645","10.1021/ja075438e","","","0.71073","MoKα","","0.09","0.0586","","","0.1153","0.1293","","","","","","1.079","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110090","8.3944","0.0002","8.0872","0.0001","10.3921","0.0002","90","","90.616","0.001","90","","705.45","0.02","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(4aS)-(E)-2-(4a-methyl-3,4,4a,5,6,7,8,9-octahydrobenzo[7]annulen-2- ylidene)hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C26 H42 N6 S2 -","2","1","","Eda Canales; E. J. Corey","Highly Enantioselective [2+2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex","Journal of the American Chemical Society","2007","129","","12686","12687","10.1021/ja0765262","","","0.71073","MoKα","","0.0333","0.0297","","","0.0761","0.0788","","","","","","1.038","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110096","8.0125","0.0013","11.2771","0.0018","19.268","0.003","90","","98.652","0.002","90","","1721.2","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","2","","Vardhineedi Sriramurthy; Gregg A. Barcan; Ohyun Kwon","Bisphosphine-Catalyzed Mixed Double-Michael Reactions: Asymmetric Synthesis of Oxazolidines, Thiazolidines, and Pyrrolidines","Journal of the American Chemical Society","2007","129","","12928","12929","10.1021/ja073754n","","","0.71073","MoKα","","0.0592","0.0416","","","0.0776","0.085","","","","","","1.003","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110097","8.149","0.004","9.248","0.004","11.916","0.005","90","","97.912","0.005","90","","889.5","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C32 H46 N2 O10 S2 -","2","1","","Vardhineedi Sriramurthy; Gregg A. Barcan; Ohyun Kwon","Bisphosphine-Catalyzed Mixed Double-Michael Reactions: Asymmetric Synthesis of Oxazolidines, Thiazolidines, and Pyrrolidines","Journal of the American Chemical Society","2007","129","","12928","12929","10.1021/ja073754n","","","0.71073","MoKα","","0.0359","0.0328","","","0.0853","0.0886","","","","","","1.037","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110104","12.423","0.004","3.788","0.008","16.914","0.006","90","","107.89","0.03","90","","757.5","1.6","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","Phenazine-Chloranilicacid","Phenazine-Chloranilicacid","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","","Reiji Kumai; Sachio Horiuchi; Hajime Sagayama; Taka-hisa Arima; Masashi Watanabe; Yukio Noda; Yoshinori Tokura","Structural Assignment of Polarization in Hydrogen-Bonded Supramolecular Ferroelectrics","Journal of the American Chemical Society","2007","129","","12920","12921","10.1021/ja075406r","","neutron","1.243","Neutron","","0.0499","0.0488","","","0.1086","0.1092","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110106","12.371","0.004","3.845","0.003","17.342","0.005","90","","107.74","0.02","90","","785.7","0.7","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","Phenazine-Bromanilicacid","Phenazine-Bromanilicacid","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","1","","Reiji Kumai; Sachio Horiuchi; Hajime Sagayama; Taka-hisa Arima; Masashi Watanabe; Yukio Noda; Yoshinori Tokura","Structural Assignment of Polarization in Hydrogen-Bonded Supramolecular Ferroelectrics","Journal of the American Chemical Society","2007","129","","12920","12921","10.1021/ja075406r","","neutron","1.2453","Neutron","","0.0397","0.0387","","","0.0937","0.0947","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110117","11.2301","0.0008","9.3234","0.0007","22.775","0.0017","90","","92.51","0.002","90","","2382.3","0.3","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","sulfonamide1","","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C88 H120 N8 O16 S16 -","8","4","","Wei Zeng; Sherry R. Chemler","Copper(II)-Catalyzed Enantioselective Intramolecular Carboamination of Alkenes","Journal of the American Chemical Society","2007","129","","12948","12949","10.1021/ja0762240","","x-ray","0.71073","MoKα","","0.0317","0.0309","","","0.0796","0.0802","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110168","9.7191","0.0016","7.6773","0.0012","14.461","0.002","90","","100.581","0.004","90","","1060.7","0.3","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C36 H52 N4 O10 S2 Si2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71073","MoKα","","0.0534","0.0437","","","0.0931","0.101","","","","","","1.138","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110169","10.5237","0.0014","10.5852","0.0013","12.6006","0.0019","90","","104.634","0.003","90","","1358.1","0.3","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H31 Br N2 O6 S Si -","- C24 H31 Br N2 O6 S Si -","- C48 H62 Br2 N4 O12 S2 Si2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.027","0.0203","","","0.0375","0.039","","","","","","0.807","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110172","10.6317","0.0013","10.5468","0.0012","12.4854","0.0016","90","","105.631","0.003","90","","1348.2","0.3","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O6 S Si -","- C25 H34 N2 O6 S Si -","- C50 H68 N4 O12 S2 Si2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0328","0.0314","","","0.0742","0.0758","","","","","","1.066","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110174","10.6499","0.0017","9.4449","0.0016","10.9071","0.0018","90","","97.876","0.003","90","","1086.8","0.3","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N3 O7 S -","- C18 H22 Cl N3 O7 S -","- C36 H44 Cl2 N6 O14 S2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0329","0.0315","","","0.0734","0.0749","","","","","","1.093","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110175","8.551","0.006","11.819","0.009","12.611","0.008","90","","99.94","0.02","90","","1255.4","1.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O7 S -","- C26 H24 N2 O7 S -","- C52 H48 N4 O14 S2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71073","MoKα","","0.0411","0.0376","","","0.091","0.1014","","","","","","1.13","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110193","9.6693","0.0002","13.2688","0.0003","13.2744","0.0003","90","","108.627","0.001","90","","1613.89","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H46 Mn2 N2 O10 -","- C28 H42 Mn2 N2 O10 -","- C56 H84 Mn4 N4 O20 -","2","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.1032","0.0847","","","0.2273","0.2442","","","","","","1.053","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110194","8.8724","0.0003","13.7075","0.0005","14.4409","0.0006","90","","97.746","0.002","90","","1740.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H44 Mn3 N2 O14 -","- C28 H35 Mn3 N2 O14 -","- C56 H70 Mn6 N4 O28 -","2","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.0726","0.0646","","","0.1722","0.1858","","","","","","0.991","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110195","6.8678","0.0011","12.566","0.002","12.782","0.002","90","","103.462","0.004","90","","1072.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 Mn2 O8 -","- C20 H28 Mn2 O8 -","- C40 H56 Mn4 O16 -","2","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.0497","0.0389","","","0.0842","0.0886","","","","","","0.891","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110201","5.5792","0.0001","9.1278","0.0003","13.4765","0.0003","90","","95.89","0.002","90","","682.68","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Br O2 -","- C15 H21 Br O2 -","- C30 H42 Br2 O4 -","2","1","","Guang Y. Fang; Olov A. Wallner; Nadia Di Blasio; Xavier Ginesta; Jeremy N. Harvey; Varinder K. Aggarwal","Asymmetric Sulfur Ylide Reactions with Boranes: Scope and Limitations, Mechanism and Understanding","Journal of the American Chemical Society","2007","129","","14632","14639","10.1021/ja074110i","","","0.71073","MoKα","","0.0304","0.028","","","0.0929","0.0971","","","","","","0.819","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110248","6.987","0.0014","24.587","0.005","11.022","0.002","90","","90.99","0.03","90","","1893.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N O2 -","- C23 H18 Br N O2 -","- C92 H72 Br4 N4 O8 -","4","2","","John D. Huber; James L. Leighton","Highly Enantioselective Imine Cinnamylation with a Remarkable Diastereochemical Switch","Journal of the American Chemical Society","2007","129","","14552","14553","10.1021/ja076035h","","","0.71073","MoKα","","0.0984","0.0779","","","0.1667","0.1781","","","","","","1.107","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110249","15.392","0.0008","22.7497","0.0014","16.0554","0.0009","90","","109.497","0.001","90","","5299.6","0.5","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N O3 -","- C25 H29 N O3 -","- C200 H232 N8 O24 -","8","4","","John D. Huber; James L. Leighton","Highly Enantioselective Imine Cinnamylation with a Remarkable Diastereochemical Switch","Journal of the American Chemical Society","2007","129","","14552","14553","10.1021/ja076035h","","","0.71073","MoKα","","0.1398","0.0513","","","0.0827","0.0911","","","","","","1.02","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110296","6.0975","0.0002","8.3422","0.0002","28.8836","0.001","90","","95.5451","0.0012","90","","1462.33","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H36 F2 N O14.5 -","- C25 H35 F2 N O14.5 -","- C50 H70 F4 N2 O29 -","2","1","","Go Hirai; Toru Watanabe; Kazunori Yamaguchi; Taeko Miyagi; Mikiko Sodeoka","Stereocontrolled and Convergent Entry to CF2-Sialosides: Synthesis of CF2-Linked Ganglioside GM4","Journal of the American Chemical Society","2007","129","","15420","15421","10.1021/ja075738w","","","0.71073","MoKα","","0.0394","0.0325","","","0.0795","0.0835","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110298","24.512","0.006","10.257","0.002","34.311","0.009","90","","110.95","0.04","90","","8056","4","293","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ac-[L-(αMe)Val]7-NHiPr","","- C47 H88 N8 O8 -","- C47 H88 N8 O8 -","- C282 H528 N48 O48 -","6","3","","Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo","Peptide α/310-Helix Dimorphism in the Crystal State","Journal of the American Chemical Society","2007","129","","15471","15473","10.1021/ja076656a","","","1.54178","CuKα","","0.159","0.1212","","","0.3041","0.3649","","","","","","1.411","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110307","12.631","0.003","6.1265","0.0013","13.649","0.003","90","","91.167","0.005","90","","1056","0.4","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Luca Salvi; Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Catalytic Asymmetric Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2007","129","","16119","16125","10.1021/ja0762285","","","0.71073","MoKα","","0.0542","0.0437","","","0.0888","0.0971","","","","","","1.099","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110350","8.06","0.002","15.729","0.005","8.241","0.003","90","","106.582","0.005","90","","1001.3","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Cp-methyl-nitrosyl-(methyl-phenyl-(o-dimethylaminophenyl)phosphine)rhenium","","","- C21 H26 N2 O P Re -","- C21 H26 N2 O P Re -","- C42 H52 N4 O2 P2 Re2 -","2","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0294","0.028","","","0.0689","0.0696","","","","","","1.056","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110366","6.2984","0.0002","13.9118","0.0005","8.962","0.0003","90","","91.077","0.002","90","","785.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Yongqiang Zhang; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding: Organometallic Chirons. Total Synthesis of (-)-Bao Gong Teng A by a Molybdenum-Mediated [5+2] Cycloaddition","Journal of the American Chemical Society","2006","128","","465","472","10.1021/ja055623x","","","1.54178","CuKα","","0.0379","0.0351","","","0.0821","0.0831","","","","","","1.022","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110413","7.6504","0.0009","13.3702","0.0018","11.4418","0.0019","90","","98.291","0.012","90","","1158.1","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl N O6 S -","- C20 H34 Cl N O6 S -","- C40 H68 Cl2 N2 O12 S2 -","2","1","","Varinder K. Aggarwal; Jonathan P. H. Charmant; Daniel Fuentes; Jeremy N. Harvey; George Hynd; Diasuke Ohara; Willy Picoul; Raphaël Robiette; Catherine Smith; Jean-Luc Vasse; Caroline L. Winn","Highly Enantioselective Synthesis of Glycidic Amides Using Camphor-Derived Sulfonium Salts. Mechanism and Applications in Synthesis","Journal of the American Chemical Society","2006","128","","2105","2114","10.1021/ja0568345","","","0.71073","MoKα","","0.0446","0.0348","","","0.081","0.0856","","","","","","1.041","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110424","11.64","0.03","21.09","0.03","11.95","0.02","90","","94.94","0.08","90","","2923","10","123.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H56 F6 N2 O2 P3 Rh -","- C70 H54 F6 N2 O2 P3 Rh -","- C140 H108 F12 N4 O4 P6 Rh2 -","2","1","","Ryo Shintani; Keiji Yashio; Tomoaki Nakamura; Kazuhiro Okamoto; Toyoshi Shimada; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Indanones: Development of a New ""Axially Chiral"" Bisphosphine Ligand","Journal of the American Chemical Society","2006","128","","2772","2773","10.1021/ja056584s","","","0.7107","MoKα","","","0.084","","","","0.232","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110488","8.8744","0.0018","19.153","0.004","9.2647","0.0019","90","","108.67","0.03","90","","1491.9","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H45 O P2 Rh -","- C31 H45 O P2 Rh -","- C62 H90 O2 P4 Rh2 -","2","1","","Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig","Direct Observation of β-Aryl Eliminations from Rh(I) Alkoxides","Journal of the American Chemical Society","2006","128","","3124","3125","10.1021/ja058550q","","","0.71073","MoKα","","0.0634","0.0431","","","0.0877","0.0948","","","","","","1.02","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110523","19.7796","0.0013","9.9314","0.0005","19.5957","0.0013","90","","116.033","0.001","90","","3458.8","0.4","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 Zn2 -","- C16 H28 Zn2 -","- C128 H224 Zn16 -","8","4","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.076","0.0485","","","0.1245","0.1975","","","","","","0.98","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110549","7.876","0.0004","6.483","0.0003","15.914","0.0009","90","","98.801","0.003","90","","803","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C34 H40 O6 S2 -","2","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.0698","0.0339","","","0.0667","0.0707","","","","","","0.823","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110550","13.232","0.0004","9.003","0.0003","19.634","0.0007","90","","95.81","0.0012","90","","2326.94","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O2 S -","- C25 H33.178 O2 S -","- C100 H132.712 O8 S4 -","4","2","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.1218","0.0571","","","0.1652","0.1815","","","","","","1.138","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110555","11.993","0.003","29.271","0.006","13.298","0.003","90","","114.615","0.005","90","","4244","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31.25 H40.5 Br Cl0.5 F6 N8 P Ru -","- C31.25 H40.5 Br Cl0.5 F6 N8 P Ru -","- C125 H162 Br4 Cl2 F24 N32 P4 Ru4 -","4","2","","Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet","Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?","Journal of the American Chemical Society","2006","128","","5306","5307","10.1021/ja057733+","","","0.71073","MoKα","","0.1879","0.114","","","0.2833","0.336","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110557","5.824","0.0006","7.2935","0.0012","25.316","0.007","90","","96.23","0.02","90","","1069","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H18 S4 -","- C28 H18 S4 -","- C56 H36 S8 -","2","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.036","0.0353","","","0.0979","0.0989","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110564","11.334","0.002","15.006","0.003","11.748","0.002","90","","98.14","0.005","90","","1977.9","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H44 O7 P2 -","- C44 H44 O7 P2 -","- C88 H88 O14 P4 -","2","1","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.0975","0.0662","","","0.1719","0.1898","","","","","","1.035","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110598","8.0187","0.0005","23.4465","0.0014","12.3357","0.0007","90","","94.079","0.001","90","","2313.4","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N4 O4 S2 -","- C22 H24 N4 O4 S2 -","- C88 H96 N16 O16 S8 -","4","2","","Tsuneomi Kawasaki; Hiroyuki Tanaka; Takashi Tsutsumi; Toshinari Kasahara; Itaru Sato; Kenso Soai","Chiral Discrimination of Cryptochiral Saturated Quaternary and Tertiary Hydrocarbons by Asymmetric Autocatalysis","Journal of the American Chemical Society","2006","128","","6032","6033","10.1021/ja061429e","","","0.71073","MoKα","","0.0814","0.0511","","","0.1129","0.1262","","","","","","0.923","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110631","11.36","0.003","15.544","0.003","19.137","0.004","90","","93.107","0.004","90","","3374.2","1.3","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H41 F3 N3 O3 S Yb -","- C36 H41 F3 N3 O3 S Yb -","- C144 H164 F12 N12 O12 S4 Yb4 -","4","2","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0744","0.0648","","","0.1214","0.1256","","","","","","1.148","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110633","7.403","0.002","14.05","0.004","8.221","0.002","90","","97.826","0.004","90","","847.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C38 H38 Br2 O6 -","2","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","","0.71073","MoKα","","0.0255","0.0243","","","0.0665","0.0672","","","","","","0.72","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110657","5.3713","0.0011","25.738","0.005","20.962","0.004","90","","90.48","0.03","90","","2897.8","1","253","2","253","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H39 N5 O2 -","- C31 H39 N5 O2 -","- C124 H156 N20 O8 -","4","2","","Sigitas Stončius; Edvinas Orentas; Eugenius Butkus; Lars Öhrström; Ola F. Wendt; Kenneth Wärnmark","An Approach to Helical Tubular Self-Aggregation Using C2-Symmetric Self-Complementary Hydrogen-Bonding Cavity Molecules","Journal of the American Chemical Society","2006","128","","8272","8285","10.1021/ja061160z","","","0.872","synchrotron","","0.0842","0.0732","","","0.2177","0.238","","","","","","1.2","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110675","6.686","0.005","17.88","0.005","18.293","0.005","90","0.005","90.289","0.005","90","0.005","2186.8","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H2 F6 O -","- C3 H2 F6 O -","- C48 H32 F96 O16 -","16","8","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.1228","0.0469","","","0.1054","0.1418","","","","","","0.836","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110696","13.869","0.003","7.4858","0.0015","14.598","0.003","90","","103.32","0.03","90","","1474.8","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N3 O8 -","- C29 H37 N3 O8 -","- C58 H74 N6 O16 -","2","1","","Phil S. Baran; Benjamin D. Hafensteiner; Narendra B. Ambhaikar; Carlos A. Guerrero; John D. Gallagher","Enantioselective Total Synthesis of Avrainvillamide and the Stephacidins","Journal of the American Chemical Society","2006","128","","8678","8693","10.1021/ja061660s","","","0.71073","MoKα","","0.2418","0.0751","","","0.0983","0.1469","","","","","","0.956","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110737","8.3847","0.0017","15.41","0.003","9.877","0.002","90","","113.862","0.003","90","","1167.1","0.4","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl2 N6 -","- C24 H26 Cl2 N6 -","- C48 H52 Cl4 N12 -","2","1","","Laura D. Shirtcliff; Austin G. Hayes; Michael M. Haley; Felix Köhler; Kirsten Hess; Rainer Herges","Biscyclization Reactions in Butadiyne- and Ethyne-Linked Triazenes and Diazenes: Concerted versus Stepwise Coarctate Cyclizations","Journal of the American Chemical Society","2006","128","","9711","9721","10.1021/ja054547v","","","0.71073","MoKα","","0.0476","0.0461","","","0.1244","0.1259","","","","","","1.047","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110738","8.4009","0.0014","9.622","0.0015","9.9493","0.0016","90","","100.323","0.0008","90","","791.2","0.2","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0849","","","","0.1795","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110739","5.3737","0.0011","8.0001","0.0011","17.7295","0.0017","90","","94.031","0.007","90","","760.3","0.2","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.034","","","","0.098","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110753","11.7495","0.0019","9.8141","0.0018","16.5355","0.0019","90","","109.008","0.011","90","","1802.8","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H52 N2 O3 Sn -","- C35 H52 N2 O3 Sn -","- C70 H104 N4 O6 Sn2 -","2","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","0.71073","MoKα","","0.0455","0.0347","","","0.0728","0.0762","","","","","","1.009","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110804","9.6484","0.0001","14.1349","0.0002","12.7697","0.0002","90","","103.026","0.0009","90","","1696.71","0.04","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H40 Cl2 F6 P Rh -","- C37 H40 Cl2 F6 P Rh -","- C74 H80 Cl4 F12 P2 Rh2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0541","0.0422","","","0.0921","0.0984","","","","","","1.023","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110805","9.6522","0.0001","14.1639","0.0002","12.707","0.0001","90","","103.059","0.0007","90","","1692.29","0.03","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H40 Cl2 F6 Ir P -","- C37 H40 Cl2 F6 Ir P -","- C74 H80 Cl4 F12 Ir2 P2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0262","0.024","","","0.0568","0.058","","","","","","1.037","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110837","12.9731","0.001","16.0397","0.001","26.426","0.001","90","","93.196","0.01","90","","5490.3","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C101 H144 N20 O18 S5 -","- C101 H144 N20 O18 S5 -","- C202 H288 N40 O36 S10 -","2","1","","Zaida Rodriguez-Docampo; Sofia I. Pascu; Stefan Kubik; Sijbren Otto","Noncovalent Interactions within a Synthetic Receptor Can Reinforce Guest Binding","Journal of the American Chemical Society","2006","128","","11206","11210","10.1021/ja062389h","","","0.6923","synchrotron","","0.1431","0.1128","","0.1534","0.1248","0.1248","","","","","","1.157","","","","has coordinates,has disorder","201372","2020-10-21","18:00:00",""
"4110842","16.9199","0.0016","5.5487","0.0005","23.585","0.002","90","","108.519","0.001","90","","2099.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bisoxzaolidine","(1R,2S)-cis-1-amino-2-indanol derived bisoxazolidine","","- C24.5 H24.5 Cl1.5 N2 O2 -","- C24.5 H24.5 Cl1.5 N2 O2 -","- C98 H98 Cl6 N8 O8 -","4","2","","Christian Wolf; Shuanglong Liu","Bisoxazolidine-Catalyzed Enantioselective Alkynylation of Aldehydes","Journal of the American Chemical Society","2006","128","","10996","10997","10.1021/ja062711o","","","0.71073","MoKα","","0.1067","0.0564","","","0.1206","0.1334","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110863","8.58","0.0014","6.9147","0.0011","14.765","0.003","90","","90.373","0.005","90","","876","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br1.35 Cl0.65 N -","- C18 H21 Br1.348 Cl0.652 N -","- C36 H42 Br2.696 Cl1.304 N2 -","2","1","","Guo-Hua Hou; Jian-Hua Xie; Li-Xin Wang; Qi-Lin Zhou","Highly Efficient Rh(I)-Catalyzed Asymmetric Hydrogenation of Enamines Using Monodente Spiro Phosphonite Ligands","Journal of the American Chemical Society","2006","128","","11774","11775","10.1021/ja0644778","","","0.7107","MoKα","","0.0527","0.033","","","0.0603","0.0646","","","","","","0.861","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110868","12.4531","0.0016","38.667","0.005","13.6401","0.0017","90","","90.923","0.002","90","","6567.2","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C95 H160 Cl6 O34 Re2 Si16 -","- C95 H160 Cl6 O34 Re2 Si16 -","- C190 H320 Cl12 O68 Re4 Si32 -","2","1","","Elena Lucenti; Giuseppe D'Alfonso; Piero Macchi; Mario Maranesi; Dominique Roberto; Angelo Sironi; Renato Ugo","A Re(CO)5 Fragment Bonded to a Polyhedral Oligomeric Hydroxysilsesquioxane as a Model which Gives Further Evidence to the Existence of an Unexpected Re(CO)5 Surface Species","Journal of the American Chemical Society","2006","128","","12054","12055","10.1021/ja0630588","","","0.71069","MoKα","","0.0828","0.0587","","","0.149","0.1633","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110886","7.2048","0.001","16.46","0.002","11.8821","0.0016","90","","96.673","0.003","90","","1399.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Al B9 N -","- C6 H21 Al B9 N -","- C24 H84 Al4 B36 N4 -","4","2","","Ki-Chul Son; Young-Joo Lee; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Constrained-Geometry Aluminum Complexes with η5;η1-Coordination: Syntheses, Structures, and Theoretical Studies of Dicarbollylamino Aluminum(III) Complexes","Journal of the American Chemical Society","2006","128","","12086","12087","10.1021/ja064696t","","","0.71073","MoKα","","0.12","0.0579","","","0.1392","0.1658","","","","","","0.994","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110926","12.2073","0.0005","7.8184","0.0004","12.9408","0.0006","90","","91.258","0.003","90","","1234.79","0.1","100","","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C56 H56 Br4 N4 O4 -","4","2","","Robert T. Yu; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2+2+2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes: Application to the Total Synthesis of (+)-Lasubine II","Journal of the American Chemical Society","2006","128","","12370","12371","10.1021/ja064868m","","","0.71073","MoKα","","0.0722","0.035","","","0.0719","0.0811","","","","","","0.94","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110927","12.5864","0.0008","8.6454","0.0006","17.4451","0.0012","90","","100.668","0.004","90","","1865.5","0.2","100","","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C84 H84 Br6 N6 O6 -","6","3","","Robert T. Yu; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2+2+2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes: Application to the Total Synthesis of (+)-Lasubine II","Journal of the American Chemical Society","2006","128","","12370","12371","10.1021/ja064868m","","","0.71073","MoKα","","0.0482","0.0327","","","0.0806","0.0895","","","","","","0.744","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110937","7.149","0.0003","16.931","0.0012","13.2","0.0009","90","","98.887","0.004","90","","1578.54","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-tert-Butylphenyl)-N-phenylpropanamide","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","2","","Osamu Kitagawa; Masatoshi Yoshikawa; Hajime Tanabe; Tomofumi Morita; Masashi Takahashi; Yasuo Dobashi; Takeo Taguchi","Highly Enantioselective Synthesis of Atropisomeric Anilide Derivatives through Catalytic Asymmetric N-Arylation: Conformational Analysis and Application to Asymmetric Enolate Chemistry","Journal of the American Chemical Society","2006","128","","12923","12931","10.1021/ja064026n","","x-ray","0.71073","MoKα","","0.0524","0.0422","","","0.0983","0.101","","","","","","0.949","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110950","10.553","0.005","16.745","0.006","12.475","0.004","90","","107.416","0.016","90","","2103.4","1.4","136","2","136","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H52 Au2 N2 O9 P2 -","- C47 H52 Au2 N2 O9 P2 -","- C94 H104 Au4 N4 O18 P4 -","2","1","","Andrea Deák; Tünde Megyes; Gábor Tárkányi; Péter Király; László Biczók; Gábor Pálinkás; Peter J. Stang","Synthesis and Solution- and Solid-State Characterization of Gold(I) Rings with Short Au...Au Interactions. Spontaneous Resolution of a Gold(I) Complex","Journal of the American Chemical Society","2006","128","","12668","12670","10.1021/ja064609x","","","0.7107","MoKα","","0.0495","0.0449","","","0.0997","0.1038","","","","","","1.066","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110978","15.1342","0.0019","10.6675","0.0015","19.582","0.002","90","","101.9","0.01","90","","3093.5","0.7","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H29 Br N2 O4 -","- C36 H25 Br N2 O4 -","- C144 H100 Br4 N8 O16 -","4","2","","Ciby J. Abraham; Daniel H. Paull; Michael T. Scerba; James W. Grebinski; Thomas Lectka","Catalytic, Enantioselective Bifunctional Inverse Electron Demand Hetero-Diels-Alder Reactions of Ketene Enolates and o-Benzoquinone Diimides","Journal of the American Chemical Society","2006","128","","13370","13371","10.1021/ja065754d","","","0.71073","","","0.0858","0.048","","","0.1003","0.1069","","","","","","0.952","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110991","11.283","0.002","6.6888","0.0012","13.937","0.002","90","","105.355","0.003","90","","1014.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O5 -","- C22 H21 Br N2 O5 -","- C44 H42 Br2 N4 O10 -","2","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0666","0.0488","","","0.1064","0.1129","","","","","","0.976","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110993","7.844","0.002","5.937","0.002","16.194","0.004","90","","94.188","0.006","90","","752.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C32 H36 Br2 N2 O6 -","2","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0471","0.0446","","","0.1231","0.1258","","","","","","1.03","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4111006","7.536","0.005","9.322","0.005","13.574","0.006","90","","90.09","0.02","90","","953.6","0.9","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Kyoji Tsuchikama; Yusuke Kuwata; Takanori Shibata","Highly Enantioselective Construction of a Chiral Spirocyclic Structure by the [2 + 2 + 2] Cycloaddition of Diynes andexo-Methylene Cyclic Compounds","Journal of the American Chemical Society","2006","128","","13686","13687","10.1021/ja064257u","","","0.71075","MoKα","","","0.0448","","","","0.1239","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111037","10.7705","0.0006","8.6569","0.0005","11.6622","0.0007","90","","110.724","0.001","90","","1017.02","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N O5 -","- C20 H28 N O5 -","- C40 H56 N2 O10 -","2","1","","Fanglong Yang; Jeffery J. Newsome; Dennis P. Curran","Structure Assignment of Lagunapyrone B by Fluorous Mixture Synthesis of Four Candidate Stereoisomers","Journal of the American Chemical Society","2006","128","","14200","14205","10.1021/ja064812s","","","0.71073","MoKα","","0.1055","0.0594","","","0.1331","0.1504","","","","","","0.941","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111069","9.2443","0.0002","12.736","0.0002","9.4877","0.0002","90","","115.016","0.0008","90","","1012.25","0.04","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C32 H48 N16 O12 -","4","2","","Louis-Sebastian Sonntag; Sabine Schweizer; Christian Ochsenfeld; Helma Wennemers","The ""Azido Gauche Effect"" Implications for the Conformation of Azidoprolines","Journal of the American Chemical Society","2006","128","","14697","14703","10.1021/ja0654938","","","0.71073","MoKα","","0.0463","0.039","","0.0495","0.0397","0.0397","","","","","","0.9367","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111076","8.545","0.002","8.875","0.002","9.964","0.002","90","","113.978","0.003","90","","690.4","0.3","115.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","","David J. Gorin; Pascal Dubé; F. Dean Toste","Synthesis of Benzonorcaradienes by Gold(I)-Catalyzed [4+3] Annulation","Journal of the American Chemical Society","2006","128","","14480","14481","10.1021/ja066694e","","","0.7107","MoKα","","0.0373","0.0321","","0.0405","","0.0397","","","","","","1.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111145","13.8297","0.0003","5.8719","0.0001","18.6094","0.0003","90","","92.9475","0.0009","90","","1509.21","0.05","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0488","0.0359","","","0.078","0.0846","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4111158","14.1919","0.0008","6.4486","0.0004","24.4322","0.0015","90","","91.697","0.004","90","","2235","0.2","","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C104 H132 N4 O12 -","4","2","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","","","","","","","","","0.33914","","5.15","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111184","11.3593","0.0011","9.6066","0.0009","12.1731","0.0012","90","","109.728","0.002","90","","1250.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C60 H70 N2 O6 -","2","1","","Robert B. Lettan; Troy E. Reynolds; Chris V. Galliford; Karl A. Scheidt","Synthesis of Tertiary β-Hydroxy Amides by Enolate Additions to Acylsilanes","Journal of the American Chemical Society","2006","128","","15566","15567","10.1021/ja065605v","","","0.71073","MoKα","","0.0427","0.0394","","","0.1054","0.109","","","","","","1.038","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111242","11.472","0.003","9.565","0.003","12.691","0.003","90","","106.824","0.004","90","","1333","0.6","183.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Br2 N2 O5 S -","- C25 H20 Br2 N2 O5 S -","- C50 H40 Br4 N4 O10 S2 -","2","1","","Hillary M. Peltier; Jeffrey P. McMahon; Andrew W. Patterson; Jonathan A. Ellman","The Total Synthesis of Tubulysin D","Journal of the American Chemical Society","2006","128","","16018","16019","10.1021/ja067177z","","","0.7107","MoKα","","0.0574","0.0374","","0.0505","","0.0446","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111248","11.418","0.0003","6.88","0.0002","12.682","0.0003","90","","108.869","0.0016","90","","942.71","0.04","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound ege8_ca_","","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C36 H50 N6 O8 -","2","1","","Felipe Reviriego; Maria Isabel Rodríguez-Franco; Pilar Navarro; Enrique García-España; Malva Liu-González; Begoña Verdejo; Antonio Domènech","The Sodium Salt of Diethyl 1H-pyrazole-3,5-dicarboxylate as an Efficient Amphiphilic Receptor for Dopamine and Amphetamines. Crystal Structure and Solution Studies","Journal of the American Chemical Society","2006","128","","16458","16459","10.1021/ja064657h","","x-ray","0.71073","MoKα","","0.0656","0.0404","","","0.1081","0.13","","","","","","1.062","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4111252","16.0087","0.001","9.0397","0.0005","24.8119","0.0015","90","","104.852","0.002","90","","3470.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 Pt S2 -","- C20 H16 N2 Pt S2 -","- C160 H128 N16 Pt8 S16 -","8","4","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0208","0.0198","","","0.0464","0.0468","","","","","","1.024","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111265","14.8577","0.0003","29.2657","0.0006","15.1524","0.0005","90","","105.778","0.001","90","","6340.3","0.3","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","9,11,20,22-Tetraphenyl-10,21-di-p-tolyltetrabenzo[a,c,l,n]pentacene Ethyl Acetate Solvate","","- C84 H70 O5 -","- C76 H50 -","- C304 H200 -","4","2","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0767","0.063","","0.1531","","0.146","","","1.038","","","1.092","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111273","7.9569","0.0017","7.5578","0.0017","14.123","0.003","90","","93.105","0.008","90","","848.1","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 F2 O2 -","- C20 H22 F2 O2 -","- C40 H44 F4 O4 -","2","1","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","0.71073","MoKα","","0.0357","0.035","","","0.0934","0.0941","","","","","","1.072","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111274","10.734","0.005","35.12","0.017","11.253","0.006","90","","118.305","0.009","90","","3735","3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 F2 O4 -","- C20 H24 F2 O4 -","- C160 H192 F16 O32 -","8","4","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","1.54178","CuKα","","0.2422","0.2235","","","0.5634","0.583","","","","","","2.265","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111275","5.1753","0.0005","30.941","0.002","10.848","0.001","90","","90.375","0.004","90","","1737","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H29 N O4 -","- C15 H29 N O4 -","- C60 H116 N4 O16 -","4","2","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.1536","0.1065","","","0.1682","0.1845","","","","","","1.803","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111277","10.472","0.0004","15.185","0.0006","10.524","0.0004","90","","94.257","0.0019","90","","1668.88","0.11","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 N O4 -","- C14 H27 N O4 -","- C56 H108 N4 O16 -","4","2","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0886","0.0505","","","0.088","0.0988","","","","","","1.329","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111313","10.963","0.002","13.76","0.003","13.558","0.003","90","","103.21","0.03","90","","1991.1","0.8","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H67 F3 O4 P2 Pd S -","- C36 H67 F3 O4 P2 Pd S -","- C72 H134 F6 O8 P4 Pd2 S2 -","2","1","","Elena Poverenov; Gregory Leitus; David Milstein","Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation","Journal of the American Chemical Society","2006","128","","16450","16451","10.1021/ja067298z","","","0.71073","MoKα","","0.0385","0.0339","","","0.0798","0.0823","","","","","","1.079","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111314","15.6756","0.0005","6.9546","0.0003","21.4312","0.0009","90","","90.784","0.002","90","","2336.16","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","2","","Venukrishnan Komanduri; Michael J. Krische","Enantioselective Reductive Coupling of 1,3-Enynes to Heterocyclic Aromatic Aldehydes and Ketones via Rhodium-Catalyzed Asymmetric Hydrogenation: Mechanistic Insight into the Role of Brønsted Acid Additives","Journal of the American Chemical Society","2006","128","","16448","16449","10.1021/ja0673027","","","0.71073","MoKα","","0.0602","0.0455","","","0.1086","0.1162","","","","","","1.029","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111333","12.3471","0.0005","5.4389","0.0002","12.4747","0.0005","90","","95.172","0.003","90","","834.32","0.06","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 I N O3 -","- C17 H20 I N O3 -","- C34 H40 I2 N2 O6 -","2","1","","Barbora Bajtos; Ming Yu; Hongda Zhao; Brian L. Pagenkopf","C-2/C-3 Annulation and C-2 Alkylation of Indoles with 2-Alkoxycyclopropanoate Esters","Journal of the American Chemical Society","2007","129","","9631","9634","10.1021/ja067821+","","","0.7107","MoKα","","0.0529","0.0457","","","0.1086","0.1138","","","","","","1.156","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111343","13.008","0.002","7.6273","0.0011","22.235","0.003","90","","106.982","0.003","90","","2109.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis-silyl ether of abudinol","","","- C39 H72 O4 Si2 -","- C39 H72 O4 Si2 -","- C78 H144 O8 Si4 -","2","1","","Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle","Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations","Journal of the American Chemical Society","2007","129","","1050","1051","10.1021/ja068826+","","","0.71073","MoKα","","0.1065","0.0887","","","0.2032","0.2156","","","","","","1.051","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111350","9.5676","0.0009","8.9088","0.0007","11.0762","0.0009","90","","108.677","0.001","90","","894.37","0.13","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C36 H58 N2 O8 -","2","1","","Douglas C. Beshore; Amos B. Smith","Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2007","129","","4148","4149","10.1021/ja070336+","","","0.71069","MoKα","","0.0322","0.031","","","0.0773","0.0785","","","","","","1.078","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111351","11.5465","0.0008","16.9259","0.0007","27.4768","0.0015","90","","91.208","0.002","90","","5368.7","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 I N O -","- C13 H20 I N O -","- C208 H320 I16 N16 O16 -","16","8","","Douglas C. Beshore; Amos B. Smith","Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2007","129","","4148","4149","10.1021/ja070336+","","","0.71069","MoKα","","0.056","0.0504","","","0.1286","0.1369","","","","","","1.039","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111358","11.0044","0.0006","16.4067","0.001","11.104","0.0007","90","","95.425","0.001","90","","1995.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","(M,S)-3a","","","- C41 H54 Cl N4 O3 P -","- C41 H51 Cl N4 O3 P -","- C82 H102 Cl2 N8 O6 P2 -","2","1","","Daisuke Uraguchi; Sawako Sakaki; Takashi Ooi","Chiral Tetraaminophosphonium Salt-Mediated Asymmetric Direct Henry Reaction","Journal of the American Chemical Society","2007","129","","12392","12393","10.1021/ja075152+","","","0.71073","MoKα","","0.0468","0.0459","","","0.1278","0.1292","","","","","","1.056","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111380","16.2746","0.0011","9.462","0.0007","18.9247","0.0014","90","","95.45","0.002","90","","2901","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","David A. Powell; Toshihide Maki; Gregory C. Fu","Stille Cross-Couplings of Unactivated Secondary Alkyl Halides Using Monoorganotin Reagents","Journal of the American Chemical Society","2005","127","","510","511","10.1021/ja0436300","","","0.71073","MoKα","","0.0764","0.0535","","","0.1138","0.1252","","","","","","1.02","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111383","14.75","0.003","10.849","0.002","16.712","0.003","90","","114.29","0.03","90","","2437.6","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H61 B N2 P2 Ru -","- C54 H61 B N2 P2 Ru -","- C108 H122 B2 N4 P4 Ru2 -","2","1","","Rongwei Guo; Robert H. Morris; Datong Song","Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1","Journal of the American Chemical Society","2005","127","","516","517","10.1021/ja043782v","","","0.71073","MoKα","","0.0539","0.0426","","","0.1019","0.1093","","","","","","1.025","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111396","8.841","0.003","17.598","0.006","12.876","0.005","90","","98.67","0.03","90","","1980.4","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","3","P 1 21 1","P 2yb","4","","","","- C33 H46 O21 -","- C33 H46 O21 -","- C66 H92 O42 -","2","1","","Yvan Guindon; Mohammed Bencheqroun; Abderrahim Bouzide","Synthesis of Postulated Molecular Probes: Stereoselective Free-Radical-MediatedC-Glycosylation in Tandem with Hydrogen Transfer","Journal of the American Chemical Society","2005","127","","554","558","10.1021/ja046389y","","","1.54056","CuKα","","0.0882","0.0469","","0.1098","","0.0954","","","0.766","","","1.019","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111407","9.812","0.002","15.279","0.003","10.093","0.002","90","","96.897","0.004","90","","1502.2","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H45 N O Th -","- C34 H45 N O Th -","- C68 H90 N2 O2 Th2 -","2","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0614","0.0528","","","0.1336","0.1393","","","","","","1.156","","","","has coordinates,has disorder","189367","2020-10-21","18:00:00",""
"4111423","6.3815","0.0002","16.4835","0.0006","10.9674","0.0004","90","","106.542","0.001","90","","1105.91","0.07","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","BrPh-cyclopropane","(1S, 2S) 2-(Acetoxy-phenyl-methyl)-2-(2-ethoxy-vinyl)-1-(4-bromo- phenyl)-cyclopropanecarboxylic acid methyl ester","","- C24 H25 Br O5 -","- C24 H25 Br O5 -","- C48 H50 Br2 O10 -","2","1","","Liang Deng; Anthony J. Giessert; Oksana O. Gerlitz; Xing Dai; Steven T. Diver; Huw M. L. Davies","Metal Carbene-Promoted Sequential Transformations for the Enantioselective Synthesis of Highly Functionalized Cycloheptadienes","Journal of the American Chemical Society","2005","127","","1342","1343","10.1021/ja045173t","","","0.71073","MoKα","","0.0263","0.0249","","","0.0618","0.0622","","","","","","1.036","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111515","12.965","0.002","7.62","0.002","12.498","0.001","90","","100.246","0.01","90","","1215","0.4","298.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H22 S2 -","- C36 H22 S2 -","- C72 H44 S4 -","2","1","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0397","","","","0.1385","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111525","6.4935","0.0009","15.047","0.002","10.7907","0.0015","90","","97.773","0.002","90","","1044.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0403","0.0395","","","0.1037","0.1046","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111526","6.646","0.004","15.42","0.008","11.019","0.006","90","","97.734","0.008","90","","1119","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H26.726 N2 O3 -","- C46 H53.452 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.066","0.0622","","","0.1493","0.1514","","","","","","1.115","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111527","6.4713","0.0005","14.9511","0.0012","10.7063","0.0009","90","","98.223","0.001","90","","1025.22","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0599","0.0569","","","0.1359","0.1373","","","","","","1.168","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111528","6.4628","0.0006","14.9255","0.0013","10.6919","0.0009","90","","98.389","0.001","90","","1020.31","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3-yl)- N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0401","0.0385","","","0.0962","0.0975","","","","","","1.056","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111529","8.5684","0.0011","12.8865","0.0017","9.826","0.0013","90","","107.977","0.002","90","","1032","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3- yl)-N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0409","0.0378","","","0.0926","0.0948","","","","","","1.041","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111531","11.8848","0.0008","7.8596","0.0005","12.7623","0.0008","90","","93.206","0.001","90","","1190.26","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1063","0.0638","","","0.1123","0.1285","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111533","6.4769","0.0007","14.9477","0.0017","14.0075","0.0016","90","","96.317","0.002","90","","1347.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-diisopropylaminooxalyl-N-(2-(R)-hydroxy-1-(S)-methyl- 2-phenylethyl)-N-methylbenzamide benzene solvate","","- C31 H38 N2 O4 -","- C31 H38 N2 O4 -","- C62 H76 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.089","0.0716","","","0.161","0.1714","","","","","","1.066","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111534","6.3813","0.0006","15.2049","0.0015","10.8317","0.0011","90","","96.753","0.002","90","","1043.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.04","0.0366","","","0.0856","0.0873","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111536","6.5053","0.0008","15.0545","0.0018","10.7789","0.0013","90","","97.924","0.002","90","","1045.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H27 N2 O3 -","- C46 H54 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1092","0.1065","","","0.2203","0.2217","","","","","","1.161","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111537","6.8733","0.0006","20.861","0.002","15.768","0.001","90","","100.306","0.003","90","","2224.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","2","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.7107","MoKα","","0.1039","0.041","","0.1222","","0.1222","","","0.82","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111538","7.4477","0.0003","9.811","0.0004","16.6491","0.0007","90","","101.995","0.001","90","","1189.98","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0578","0.0497","","","0.1204","0.1255","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111611","10.731","0.008","10.679","0.006","14.299","0.009","90","","102.89","0.02","90","","1597.3","1.8","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H45 N3 O6 -","- C34 H45 N3 O6 -","- C68 H90 N6 O12 -","2","1","","Takashi Ooi; Mifune Takeuchi; Daisuke Kato; Yukitaka Uematsu; Eiji Tayama; Daiki Sakai; Keiji Maruoka","Highly Enantioselective Phase-Transfer-Catalyzed Alkylation of Protected α-Amino Acid Amides toward Practical Asymmetric Synthesis of Vicinal Diamines, α-Amino Ketones, and α-Amino Alcohols","Journal of the American Chemical Society","2005","127","","5073","5083","10.1021/ja0459328","","","0.7107","MoKα","","","0.0534","","","","0.1222","","","","","","1.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111635","12.5352","0.0006","6.4598","0.0003","14.2511","0.0007","90","","109.476","0.001","90","","1087.95","0.09","248","2","248","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N O3 P -","- C24 H24 N O3 P -","- C48 H48 N2 O6 P2 -","2","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0405","0.0391","","","0.1009","0.1024","","","","","","1.071","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111681","5.521","0.003","7.874","0.004","18.048","0.008","90","","96.83","0.04","90","","779","0.7","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C32 H52 O6 -","2","1","","Tarek Sammakia; Deidre M. Johns; Ganghyeok Kim; Martin A. Berliner","Remote Asymmetric Induction in an Intramolecular Ionic Diels-Alder Reaction: Application to the Total Synthesis of (+)-Dihydrocompactin","Journal of the American Chemical Society","2005","127","","6504","6505","10.1021/ja043506g","","","0.71073","MoKα","","0.0882","0.0512","","","0.1153","0.1304","","","","","","0.98","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111684","10.7027","0.0013","18.094","0.002","16.504","0.002","90","","101.632","0.002","90","","3130.4","0.6","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Ph~4~As)[(C~4~H~9~N~4~)Pt(CN)~2~]^.^3.5H~2~O","","","- C30 H36 As N6 O3.5 Pt -","- C30 H36 As N6 O3.5 Pt -","- C120 H144 As4 N24 O14 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.048","0.0447","","","0.1112","0.113","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111685","17.1345","0.0007","20.4994","0.0009","20.6618","0.0009","90","","105.575","0.001","90","","6990.9","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C288 H248 Cl8 Cu8 N16 O15 -","4","2","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1227","0.0805","","","0.23","0.2466","","","","","","0.993","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111716","8.0625","0.0001","13.2833","0.0002","10.8836","0.0002","90","","108.951","0.001","90","","1102.42","0.03","200","2","200","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","","(eta6-Benzene)dicarbonyl{P-bis(N-pyrrolyl)[2-(N,N-dimethylcarbamoyl)- pyrrolyl]phosphine}chromium(0)","","- C23 H23 Cr N4 O3 P -","- C23 H23 Cr N4 O3 P -","- C46 H46 Cr2 N8 O6 P2 -","2","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0585","0.0427","","0.1115","","0.1022","","","1.053","","","1.067","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111717","6.1482","0.0007","7.4742","0.0008","12.3697","0.0013","90","","95.089","0.002","90","","566.18","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Cl4 N2 W -","- C5 H8 Cl4 N2 W -","- C10 H16 Cl8 N4 W2 -","2","1","","Omar J. Bchir; Kelly M. Green; Hiral M. Ajmera; Elizabeth A. Zapp; Timothy J. Anderson; Benjamin C. Brooks; Laurel L. Reitfort; David H. Powell; Khalil A. Abboud; Lisa McElwee-White","Tungsten Allylimido Complexes Cl4(RCN)W(NC3H5) as Single-Source CVD Precursors for WNxCyThin Films. Correlation of Precursor Fragmentation to Film Properties","Journal of the American Chemical Society","2005","127","","7825","7833","10.1021/ja043799d","","","0.71073","MoKα","","0.0469","0.0372","","","0.0883","0.0936","","","","","","1.047","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111743","14.2394","0.0004","31.381","0.002","14.2878","0.0007","90","","118.214","0.002","90","","5625.9","0.5","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C100 H136 Cu2 F12 N8 O28 S4 -","- C94 H124 Cu2 F12 N8 O28 S4 -","- C188 H248 Cu4 F24 N16 O56 S8 -","2","1","","J. Frantz Folmer-Andersen; Vincent M. Lynch; Eric V. Anslyn","Colorimetric Enantiodiscrimination of α-Amino Acids in Protic Media","Journal of the American Chemical Society","2005","127","","7986","7987","10.1021/ja052029e","","","0.71073","MoKα","","0.23","0.1046","","","0.1563","0.1772","","","","","","1.337","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111745","9.0299","0.0017","9.5091","0.0018","9.0299","0.0017","90","","112.32","","90","","717.3","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O2 -","- C16 H20 N O2 -","- C32 H40 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0649","0.0589","","","0.1501","0.1562","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111748","8.4126","0.0016","9.7041","0.0018","8.6749","0.0016","90","","110.046","0.005","90","","665.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0356","0.0348","","","0.095","0.0961","","","","","","1.05","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111794","12.224","0.002","8.8408","0.0015","13.842","0.002","90","","111.607","0.003","90","","1390.8","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O6 Si -","- C26 H41 N O6 Si -","- C52 H82 N2 O12 Si2 -","2","1","","Leleti Rajender Reddy; Jean-François Fournier; B. V. Subba Reddy; E. J. Corey","An Efficient, Stereocontrolled Synthesis of a Potent Omuralide-Salinosporin Hybrid for Selective Proteasome Inhibition","Journal of the American Chemical Society","2005","127","","8974","8976","10.1021/ja052376o","","","0.71073","MoKα","","0.0805","0.0759","","","0.1794","0.1824","","","","","","1.169","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111823","9.601","0.002","21.07","0.002","9.898","0.002","90","0.02","90.86","0.02","90","0.02","2002.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C88 H104 O16 S4 -","4","2","","Gyochang Keum; Cheol Hee Hwang; Soon Bang Kang; Youseung Kim; Eun Lee","Stereoselective Syntheses of Rolliniastatin 1, Rollimembrin, and Membranacin","Journal of the American Chemical Society","2005","127","","10396","10399","10.1021/ja0526867","","","0.71073","MoKα","","0.0411","0.0403","","","0.1046","0.1054","","","","","","1.051","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111829","8.537","0.002","8.775","0.002","9.099","0.002","90","","102.517","0.004","90","","665.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.0394","0.0352","","","0.0823","0.0844","","","","","","1","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111844","8.4866","0.0007","15.1344","0.0012","10.3639","0.0009","90","","94.808","0.002","90","","1326.45","0.19","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H32 B N10 O P W -","- C22 H32 B N10 O P W -","- C44 H64 B2 N20 O2 P2 W2 -","2","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0725","0.0471","","","0.0652","0.0695","","","","","","0.733","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111845","12.3731","0.0015","10.381","0.0013","16.608","0.002","90","","93.254","0.002","90","","2129.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H54 N4 O4 -","- C48 H54 N4 O4 -","- C96 H108 N8 O8 -","2","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.1597","0.0828","","","0.1979","0.2369","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111862","12.642","0.002","11.274","0.002","13.052","0.004","90","","104.26","0.02","90","","1802.9","0.7","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H51 N3 O4 Si -","- C35 H37 N3 O4 Si -","- C70 H74 N6 O8 Si2 -","2","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0598","0.0564","","","0.1601","0.1683","","","","","","1.055","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111928","10.879","0.008","6.214","0.004","13.814","0.01","90","","106.637","0.01","90","","894.8","1.1","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Thia-bicyclononane","N1-[(1R,4S,5R,8R)-4,8-dimethyl-7-oxo-2-thiabicyclo[3.3.1] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O3 S2 -","- C17 H23 N O3 S2 -","- C34 H46 N2 O6 S4 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0325","0.0313","","","0.0849","0.086","","","","","","1.128","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111932","11.8179","0.0017","15.425","0.002","11.8406","0.0016","90","","110.502","0.002","90","","2021.7","0.5","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","diamino tetrahydrothiophene","N1-((3R,4R)-4-[(4-methylphenyl)sulfonyl]aminotetrahydro-3-thiophenyl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S3 -","- C18 H22 N2 O4 S3 -","- C72 H88 N8 O16 S12 -","4","2","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0709","0.0491","","","0.0976","0.1071","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111934","9.941","0.006","9.161","0.005","15.046","0.009","90","","109.232","0.009","90","","1293.8","1.3","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Diamino thiepane","N1-((3aR,4R,8R,8aR)-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl] aminoperhydrothiepino[4,5-d][1,3]dioxol-4-yl)-4-methyl-1-benzenesulfonamide","","- C23 H30 N2 O6 S3 -","- C23 H30 N2 O6 S3 -","- C46 H60 N4 O12 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0474","0.0401","","","0.0927","0.0955","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111955","8.6354","0.0007","20.9776","0.0016","8.8355","0.0007","90","","92.563","0.004","90","","1598.9","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H39 Cl2 N2 O P Si2 Ti -","- C28 H39 Cl2 N2 O P Si2 Ti -","- C56 H78 Cl4 N4 O2 P2 Si4 Ti2 -","2","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0656","0.049","","","0.1104","0.1183","","","","","","0.959","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111986","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111988","11.5271","0.0019","16.631","0.003","12.189","0.002","90","","98.614","0.003","90","","2310.4","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N6 O10 Rh2 S2 -","- C40 H36 F6 N6 O10 Rh2 S2 -","- C80 H72 F12 N12 O20 Rh4 S4 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0457","0.0386","","","0.0659","0.0682","","","","","","0.912","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111989","10.5313","0.0013","19.398","0.003","16.449","0.002","90","","108.052","0.002","90","","3194.9","0.7","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C114 H100 Cl4 F18 N18 O22 Rh4 S6 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0303","0.0295","","","0.0791","0.0797","","","","","","1.095","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111991","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111993","14.513","0.002","17.419","0.002","17.74","0.003","90","","102.554","0.003","90","","4377.5","1.1","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H69 F12 N15 O12 Rh2 S4 -","- C78 H69 F12 N15 O12 Rh2 S4 -","- C156 H138 F24 N30 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.055","0.0464","","","0.0917","0.0949","","","","","","1.101","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111995","5.76","0.001","17.916","0.002","19.174","0.004","90","","98.54","0.01","90","","1956.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Aplha-methyl-beta-anisyl-gamma-phenylbutyrophenone","","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","2","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71073","MoKα","","0.1189","0.0793","","","0.2097","0.2333","","","","","","1.013","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112005","9.951","0.001","17.027","0.002","12.025","0.001","90","","93.335","0.002","90","","2034","0.4","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Sc -","- C44 H30 B F20 Sc -","- C88 H60 B2 F40 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1043","0.0645","","","0.1587","0.1799","","","","","","1.037","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112007","9.975","0.0008","17.053","0.001","12.0218","0.0009","90","","93.967","0.001","90","","2040.1","0.3","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Ti -","- C44 H30 B F20 Ti -","- C88 H60 B2 F40 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1286","0.0941","","","0.2505","0.278","","","","","","1.04","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112041","7.3924","0.0004","9.3336","0.0005","11.8117","0.0007","90","","106.229","0.001","90","","782.51","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CALRP04","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C34 H34 Br2 O10 -","2","1","","Michael A. Calter; Ryan M. Phillips; Christine Flaschenriem","Catalytic, Asymmetric, ""Interrupted"" Feist-Bénary Reactions","Journal of the American Chemical Society","2005","127","","14566","14567","10.1021/ja055752d","","","0.71073","MoKα","","0.0264","0.0234","","","0.0588","0.0678","","","","","","1.101","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112062","7.8092","0.0012","10.3674","0.0006","15.709","0.003","90","","90.967","0.012","90","","1271.6","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Co S -","- C7 H16 B9 Co S -","- C28 H64 B36 Co4 S4 -","4","2","","José Giner Planas; Clara Viñas; Francesc Teixidor; Aleix Comas-Vives; Gregori Ujaque; Agustí Lledós; Mark E. Light; Michael B. Hursthouse","Self-Assembly of Mercaptane-Metallacarborane Complexes by an Unconventional Cooperative Effect: A C-H...S-H...H-B Hydrogen/Dihydrogen Bond Interaction","Journal of the American Chemical Society","2005","127","","15976","15982","10.1021/ja055210w","","","0.71073","MoKα","","0.0531","0.0425","","","0.0966","0.1023","","","","","","1.02","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112092","11.9584","0.0019","27.587","0.005","20.622","0.003","90","","90.114","0.007","90","","6803.1","1.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","[Dipp*SnNPh]2.hexane","","","- C78 H98 N2 Sn2 -","- C78 H98 N2 Sn2 -","- C312 H392 N8 Sn8 -","4","2","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0608","0.0631","","","","","","0.989","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112117","11.7557","0.0005","10.2852","0.0004","15.3256","0.0006","90","","91.12","0.001","90","","1852.66","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H41 Co Fe4 -","- C49 H41 Co Fe4 -","- C98 H82 Co2 Fe8 -","2","1","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.0189","0.0184","","","0.0434","0.0435","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112133","16.088","","8.777","","16.756","","90","","102.5","","90","","2309.94","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H47 N3 O11 -","- C51 H47 N3 O11 -","- C102 H94 N6 O22 -","2","1","","Jinq-Chyi Lee; Xin-An Lu; Suvarn S. Kulkarni; Yuh-Sheng Wen; Shang-Cheng Hung","Synthesis of Heparin Oligosaccharides","Journal of the American Chemical Society","2004","126","","476","477","10.1021/ja038244h","","","0.71073","MoKα","","0.1534","0.04","","","0.1101","0.1754","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112148","7.1939","0.0003","16.4714","0.0012","9.7749","0.0006","90","","111.938","0.0018","90","","1074.39","0.11","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C44 H52 Br4 O8 -","4","2","","Mark Lautens; Sheldon Hiebert","Scope of Palladium-Catalyzed Alkylative Ring Opening","Journal of the American Chemical Society","2004","126","","1437","1447","10.1021/ja037550s","","","0.71073","MoKα","","0.0554","0.0532","","","0.1319","0.1347","","","","","","1.068","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112179","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","822.9","1.1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol To Promote [4 + 4] Dimerization","Journal of the American Chemical Society","2004","126","","1310","1311","10.1021/ja039543+","","","0.71073","MoKα","","0.0816","0.0524","","","0.1051","0.1169","","","","","","1.011","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112272","13.848","0.001","22.329","0.001","13.845","0.001","90","","112.676","0.002","90","","3950.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H95 Na O16 -","- C64 H90 Na O16 -","- C128 H180 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Young Eun Lee; Mi Kyung Ji; Dong Mok Shin; Young Keun Chung; Eun Lee","Total Synthesis of (+)-SCH 351448","Journal of the American Chemical Society","2004","126","","2680","2681","10.1021/ja0315309","","","0.71073","MoKα","","0.2039","0.1041","","","0.2452","0.2833","","","","","","0.838","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112404","7.5035","0.0015","8.0281","0.0016","16.113","0.003","90","","93.876","0.004","90","","968.4","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N4 O6 -","- C19 H17 Br N4 O6 -","- C38 H34 Br2 N8 O12 -","2","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0362","0.0331","","","0.0719","0.0728","","","","","","0.958","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112415","10.3598","0.0002","22.2422","0.0003","10.8117","0.0002","90","","104.302","0.001","90","","2414.07","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H31 Cl F6 N3 Pd Sb -","- C20 H31 Cl F6 N3 Pd Sb -","- C80 H124 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0709","0.0503","","","0.0842","0.0864","","","","","","1.664","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112417","14.8633","0.0003","13.4427","0.0003","15.0189","0.0003","90","","98.541","0.001","90","","2967.54","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl5 F3 N2 O Pd -","- C25 H36 Cl5 F3 N2 O Pd -","- C100 H144 Cl20 F12 N8 O4 Pd4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0826","0.0401","","","0.0608","0.0669","","","","","","0.987","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112460","7.1171","0.0008","12.5532","0.0013","8.9138","0.001","90","","94.076","0.004","90","","794.37","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(bpb)Fe(NO)]","","","- C18 H12 Fe N5 O3 -","- C18 H12 Fe N5 O3 -","- C36 H24 Fe2 N10 O6 -","2","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0235","0.0224","","","0.0592","0.0598","","","","","","1.027","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112484","15.782","0.0007","13.297","0.0006","21.129","0.0012","90","","94.314","0.0016","90","","4421.4","0.4","150","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Compound (2)","","","- C28 H49 Cl4 Cu2 N8 O23.5 -","- C28 H37 Cl4 Cu2 N8 O23.5 -","- C112 H148 Cl16 Cu8 N32 O94 -","4","2","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","0.71073","MoKα","","0.1259","0.0749","","","0.1775","0.2152","","","","","","1.191","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112525","8.705","0.002","5.185","0.003","15.168","0.003","90","","101.69","0.02","90","","670.4","0.4","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl2 N O -","- C13 H15 Cl2 N O -","- C26 H30 Cl4 N2 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","0.7107","MoKα","","","0.0333","","","","0.0488","","","","","","1.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112544","8.6822","0.0007","12.6421","0.0011","14.2624","0.0013","90","","91.29","0.002","90","","1565.1","0.2","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl3 N3 O2 Si -","- C31 H32 Cl3 N3 O2 Si -","- C62 H64 Cl6 N6 O4 Si2 -","2","1","","Richard Berger; Keiko Duff; James L. Leighton","Enantioselective Allylation of Ketone-Derived Benzoylhydrazones: Practical Synthesis of Tertiary Carbinamines","Journal of the American Chemical Society","2004","126","","5686","5687","10.1021/ja0486418","","","0.71073","MoKα","","0.049","0.0383","","","0.0909","0.0957","","","","","","1.062","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112547","10.597","0.003","16.036","0.004","15.346","0.005","90","","92.82","0.011","90","","2604.6","1.3","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C50 H50 B Br F20 N O P Ti -","- C50 H50 B Br F20 N O P Ti -","- C100 H100 B2 Br2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.052","0.0381","","","0.0926","0.0989","","","","","","1.084","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112549","6.593","0.002","7.093","0.002","18.765","0.005","90","","91.36","0.02","90","","877.3","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C32 H52 Cl2 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0593","0.0467","","","0.1135","0.1224","","","","","","0.935","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112558","5.582","0.003","8.991","0.006","13.574","0.008","90","","96.75","0.02","90","","676.5","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Zhangjie Shi; Chuan He","An Au-Catalyzed Cyclialkylation of Electron-Rich Arenes with Epoxides To Prepare 3-Chromanols","Journal of the American Chemical Society","2004","126","","5964","5965","10.1021/ja031953a","","","0.71073","MoKα","","0.0689","0.0553","","","0.1067","0.1122","","","","","","1.087","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112559","8.4395","0.0004","16.8558","0.0007","18.3565","0.0008","90","","93.12","0.001","90","","2607.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 B F4 P2 Rh -","- C22 H44 B F4 P2 Rh -","- C88 H176 B4 F16 P8 Rh4 -","4","2","","Garrett Hoge; He-Ping Wu; William S. Kissel; Derek A. Pflum; Derek J. Greene; Jian Bao","Highly Selective Asymmetric Hydrogenation Using a Three Hindered Quadrant Bisphosphine Rhodium Catalyst","Journal of the American Chemical Society","2004","126","","5966","5967","10.1021/ja048496y","","","0.71073","MoKα","","0.067","0.055","","","0.1125","0.1181","","","","","","1.02","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112567","11.38","0.003","12.167","0.003","19.528","0.005","90","","104.412","0.005","90","","2618.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C112 H128 Br8 N8 O16 -","8","4","","Yuhei Yamamoto; Norie Momiyama; Hisashi Yamamoto","Enantioselective Tandem O-Nitroso Aldol/Michael Reaction","Journal of the American Chemical Society","2004","126","","5962","5963","10.1021/ja049741g","","","0.71073","MoKα","","0.0711","0.0572","","","0.0988","0.1034","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112586","13.137","0.004","16.922","0.004","13.442","0.003","90","","119.253","0.003","90","","2607.1","1.2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H86 La N3 O4 -","- C48 H78 La N3 O3 -","- C96 H156 La2 N6 O6 -","2","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0554","0.048","","","0.0956","0.0973","","","","","","1.274","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112587","16.013","0.006","14.159","0.005","21.202","0.006","90","","112.122","0.011","90","","4453","3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H64 La N5 -","- C46 H64 La N5 -","- C184 H256 La4 N20 -","4","2","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0298","0.0279","","","0.0719","0.0727","","","","","","1.164","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112654","13.591","0.002","6.3033","0.0009","18.429","0.003","90","","109.448","0.005","90","","1488.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 Cl4 N2 -","- C8 Cl4 N2 -","- C48 Cl24 N12 -","6","3","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0793","0.0696","","","0.1318","0.1383","","","","","","1.128","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112655","11.469","0.002","4.831","0.001","14.575","0.003","90","","93.67","0.03","90","","805.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O3 -","- C14 H26 N2 O3 -","- C28 H52 N4 O6 -","2","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.0477","0.0348","","","0.0831","0.1104","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112667","8.687","0.0007","4.9906","0.0004","20.473","0.002","90","","98.857","0.001","90","","876.99","0.13","170.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0478","","","","0.0624","","","","","","2.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112697","10.692","0.002","8.858","0.002","11.968","0.002","90","","114.4","0.01","90","","1032.2","0.4","200.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Br2 O3 -","- C19 H24 Br2 O3 -","- C38 H48 Br4 O6 -","2","1","","Vijay Gnanadesikan; Yoshihiro Horiuchi; Takashi Ohshima; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol-Tishchenko Reaction","Journal of the American Chemical Society","2004","126","","7782","7783","10.1021/ja047906f","","","1.5419","CuKα","","","0.038","","","","0.055","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112709","9.2218","0.0004","14.3152","0.0006","9.8666","0.0004","90","","101.799","0.001","90","","1274.99","0.09","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Ni P2 Si3 -","- C22 H34.92 Ni P2 Si3 -","- C44 H69.84 Ni2 P4 Si6 -","2","1","","Wanzhi Chen; Shigeru Shimada; Masato Tanaka; Yuka Kobayashi; Kazuhiko Saigo","Reaction of [2-(SiH3)C6H4]2SiH2 with Ni(Et2PCH2CH2PEt2)(PEt3)2: Characterization of η2-(Si-H)Ni and NiIV-H Complexes","Journal of the American Chemical Society","2004","126","","8072","8073","10.1021/ja039244k","","","0.7107","MoKα","","","0.027","","","","0.069","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112710","8.8568","0.0008","19.7932","0.0018","16.5826","0.0015","90","","105.522","0.001","90","","2801","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl2 Si2 Zr -","- C26 H42 Cl2 Si2 Zr -","- C104 H168 Cl8 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0375","0.034","","","0.0577","0.0582","","","","","","1.212","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112713","13.2833","0.0007","19.3805","0.001","14.7651","0.0008","90","","107.195","0.001","90","","3631.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.32 H52.64 Cl4.64 Si2 Zr -","- C33.3232 H52.6464 Cl4.6464 Si2 Zr -","- C133.293 H210.586 Cl18.5856 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0589","0.0374","","","0.0604","0.0643","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112734","11.79","0.001","17.993","0.001","19.885","0.001","90","","107.295","0.002","90","","4027.6","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H94 N2 O14 P2 W4 -","- C77 H94 N2 O14 P2 W4 -","- C154 H188 N4 O28 P4 W8 -","2","1","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0355","0.0286","","","0.0592","0.0614","","","","","","1.033","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112754","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.0386","","","","0.0893","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112771","11.8023","0.0007","5.5042","0.0003","14.5073","0.0008","90","","111.572","0.001","90","","876.42","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C42 H44 O8 -","2","1","","P. Andrew Evans; Michael J. Lawler","Regio- and Diastereoselective Rhodium-Catalyzed Allylic Substitution with Acyclic α-Alkoxy-Substituted Copper(I) Enolates: Stereodivergent Approach to 2,3,6-Trisubstituted Dihydropyrans","Journal of the American Chemical Society","2004","126","","8642","8643","10.1021/ja049080n","","","0.71073","MoKα","","0.0344","0.0294","","","0.0681","0.0715","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112774","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112775","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112781","5.758","0.006","19.684","0.019","8.544","0.008","90","","92.51","0.02","90","","967.5","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H30 N O6 P -","- C19 H30 N O6 P -","- C38 H60 N2 O12 P2 -","2","1","","Yingchun Li; Sarah D. Aubert; Eugene G. Maes; Frank M. Raushel","Enzymatic Resolution of Chiral Phosphinate Esters","Journal of the American Chemical Society","2004","126","","8888","8889","10.1021/ja048457m","","","1.54178","CuKα","","0.1129","0.0641","","","0.1263","0.1475","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112797","12.1054","0.0006","14.1386","0.0007","21.071","0.0011","90","","92.868","0.003","90","","3601.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","cluster[7](PF6)2","","","- C34 H37.5 F12 Fe4 N1.5 P2 -","- C34 H34.5 F12 Fe4 N1.5 P2 -","- C136 H138 F48 Fe16 N6 P8 -","4","2","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.71069","MoKα","","0.0763","0.0634","","","0.1605","0.173","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112822","6.1543","0.0007","10.914","0.001","14.747","0.002","90","","100.599","0.002","90","","973.63","0.19","143.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H35 O5 -","- C21 H30 O5 -","- C42 H60 O10 -","2","1","","Guangxin Liang; Dirk Trauner","Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton Transfer","Journal of the American Chemical Society","2004","126","","9544","9545","10.1021/ja0476664","","","0.7107","MoKα","","","0.0496","","","","0.0602","","","","","","2.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112823","4.709","0.002","7.55","0.003","18.96","0.01","90","","95.98","0.03","90","","670.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O6 -","- C11 H15 N5 O6 -","- C22 H30 N10 O12 -","2","1","","Caroline Crey-Desbiolles; Jean Lhomme; Pascal Dumy; Mitsuharu Kotera","3-Nitro-3-deaza-2'-deoxyadenosine as a Versatile Photocleavable 2'-Deoxyadenosine Mimic","Journal of the American Chemical Society","2004","126","","9532","9533","10.1021/ja047976m","","","0.71073","MoKα","","0.0677","0.0677","","0.0338","","0.0338","","","1.965","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112832","12.5019","0.0009","24.5155","0.0012","5.6418","0.0005","90","","89.993","0.007","90","","1729.2","0.2","293","2","293","2","","","","","","","122.5-123.2","4","P 1 21 1","P 2yb","4","","3-(Pyridine-3-carbonyl)oxazolidin-2-one","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C72 H64 N16 O24 -","8","4","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0413","0.0314","","0.1041","0.0893","","","","1.113","1.144","1.144","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112862","11.341","0.002","16.401","0.003","13.311","0.003","90","","100.2","0.03","90","","2436.8","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H79 Li7 N6 O6 -","- C43 H79 Li7 N6 O6 -","- C86 H158 Li14 N12 O12 -","2","1","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0777","0.0445","","","0.0901","0.1013","","","","","","1.04","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112943","10.928","0.002","9.2369","0.0018","11.087","0.002","90","","109.07","0.003","90","","1057.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 Pd -","- C24 H20 N2 O4 Pd -","- C48 H40 N4 O8 Pd2 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0468","0.0423","","","0.1017","0.1042","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112945","8.665","0.0009","12.219","0.0008","29.13","0.003","90","","95.297","0.012","90","","3071","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cd2 Cl4 N3 O4 -","- C27 H27 Cd2 Cl4 N3 O4 -","- C108 H108 Cd8 Cl16 N12 O16 -","4","2","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.056","0.0313","","","0.0575","0.062","","","","","","0.826","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112958","10.832","0.003","11.866","0.003","11.588","0.003","90","","106.96","0.02","90","","1424.7","0.7","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H22 O4 S2 -","- C34 H24 O4 S2 -","- C68 H48 O8 S4 -","2","1","","Eiko Ichikawa; Masato Suzuki; Kazuo Yabu; Matthias Albert; Motomu Kanai; Masakatsu Shibasaki","New Entries in Lewis Acid-Lewis Base Bifunctional Asymmetric Catalyst: Catalytic Enantioselective Reissert Reaction of Pyridine Derivatives","Journal of the American Chemical Society","2004","126","","11808","11809","10.1021/ja045966f","","","0.7107","MoKα","","","0.035","","","","0.074","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113006","13.295","0.002","5.6635","0.0008","14.117","0.002","90","","99.446","0.005","90","","1048.5","0.3","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Pent-4'-enyl-3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside","","- C25 H30 O5 -","- C25 H30 O5 -","- C50 H60 O10 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.044","","","","0.041","","","","","","0.89","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113007","10.168","0.003","8.673","0.003","23.85","0.007","90","","100.382","0.005","90","","2068.8","1.1","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl-O-(3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside)-(1-6)-2,3,4-tri -O-benzyl-α-D-glucopyranoside","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.066","","","","0.068","","","","","","0.99","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113012","9.0724","0.0007","12.273","0.001","9.8953","0.0008","90","","95.35","0.001","90","","1097","0.15","131.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H28 Cl2 N2 O2 Rh -","- C40 H56 Cl4 N4 O4 Rh2 -","2","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0376","","","","0.044","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113061","9.7983","0.001","9.4257","0.001","17.9186","0.0019","90","","92.743","0.002","90","","1653","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H48 Cl N4 O2 Rh -","- C35 H48 Cl N4 O2 Rh -","- C70 H96 Cl2 N8 O4 Rh2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0322","0.0297","","","0.0707","0.0725","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113062","8.0332","0.0002","13.2741","0.0003","9.5148","0.0002","90","","107.835","0.001","90","","965.84","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H29 F6 N4 P -","- C15 H29 F6 N4 P -","- C30 H58 F12 N8 P2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0266","0.0257","","","0.0688","0.0697","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113126","9.5099","0.0004","9.5868","0.0004","9.5449","0.0004","90","","114.459","0.001","90","","792.11","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C36 H38 I2 N4 -","2","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0154","0.0151","","","0.0384","0.0386","","","","","","1.034","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113141","6.968","0.0002","10.4305","0.0002","11.6086","0.0003","90","","91.368","0.002","90","","843.47","0.04","100","2","100","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","3,4-diisopropylidene-6-(4-methoxyphenyl)cycloheptanone","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","1.54184","CuKα","","0.059","0.0563","","","0.1574","0.1614","","","","","","1.085","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113224","10.6236","0.0013","10.7904","0.0011","11.9528","0.0014","90","","91.771","0.001","90","","1369.5","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H23 I N2 -","- C11 H23 I N2 -","- C44 H92 I4 N8 -","4","2","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71069","MoKα","","0.0329","0.0305","","","0.0725","0.074","","","","","","1.035","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113230","10.911","0.001","5.8659","0.0007","11.923","0.001","90","","96.868","0.002","90","","757.63","0.13","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O S -","- C15 H25 N O S -","- C30 H50 N2 O2 S2 -","2","1","","Takuya Kochi; Jonathan A. Ellman","Asymmetric α-Alkylation of N'-tert-Butanesulfinyl Amidines. Application to the Total Synthesis of (6R,7S)-7-Amino-7,8-dihydro-α-bisabolene","Journal of the American Chemical Society","2004","126","","15652","15653","10.1021/ja044753n","","","0.7107","MoKα","","","0.0616","","","","0.0647","","","","","","1.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113252","9.6895","0.0001","17.262","0.0002","16.2017","0.0002","90","","94.7843","0.0005","90","","2700.46","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H42 Li2 N4 -","- C26 H42 Li2 N4 -","- C104 H168 Li8 N16 -","4","2","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0438","0.0365","","","0.0855","0.0904","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4113254","12.425","0.0003","25.943","0.0006","14.708","0.0005","90","","114.259","0.001","90","","4322.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H93 B4 Cl N4 O8 -","- C92.5 H93 B4 Cl N4 O8 -","- C185 H186 B8 Cl2 N8 O16 -","2","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.71073","MoKα","","0.137","0.0627","","","0.1265","0.1493","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113258","5.5129","0.0015","9.654","0.003","13","0.004","90","","90.156","0.006","90","","691.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Cl O4 -","- C13 H19 Cl O4 -","- C26 H38 Cl2 O8 -","2","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.1098","0.0587","","","0.1164","0.1406","","","","","","1.062","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113267","11.931","0.003","6.648","0.0007","19.006","0.004","90","","100.632","0.009","90","","1481.6","0.5","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(4-nitrophenyl) Bis(4-hydroxy-3-methoxyphenyl)-1,2-cyclobutanedicarboxylate","","- C32 H26 N2 O12 -","- C32 H26 N2 O12 -","- C64 H52 N4 O24 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1134","0.0496","","","0.1064","0.1305","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113269","11.738","0.002","7.3775","0.0015","15.207","0.003","90","","100.55","0.03","90","","1294.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 O6 S -","- C29 H36 O6 S -","- C58 H72 O12 S2 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1404","0.0695","","","0.125","0.1535","","","","","","1.033","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113270","6.8238","0.0014","8.4032","0.0017","15.301","0.003","90","","94.76","0.03","90","","874.4","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1088","0.0582","","","0.1099","0.1277","","","","","","1.02","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113337","8.6222","0.0003","14.5198","0.0005","18.6551","0.0006","90","","99.896","0.001","90","","2300.73","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52 N2 O4 P2 Pd -","- C56 H52 N2 O4 P2 Pd -","- C112 H104 N4 O8 P4 Pd2 -","2","1","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0347","0.028","","","0.0549","0.0578","","","","","","1.043","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113338","11.6198","0.0004","32.9442","0.0012","15.9498","0.0006","90","","90.559","0.001","90","","6105.4","0.4","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73.5 H64 N2 O6.5 P2 Pd -","- C73.5 H64 N2 O6.5 P2 Pd -","- C294 H256 N8 O26 P8 Pd4 -","4","2","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0633","0.0472","","","0.1163","0.1256","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113344","8.2272","0.0003","21.9817","0.0008","10.2503","0.0004","90","","110.83","0.001","90","","1732.58","0.11","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 F3 O3 P3 S -","- C38 H32 F3 O3 P3 S -","- C76 H64 F6 O6 P6 S2 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0365","0.0322","","","0.0738","0.0757","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113362","13.165","0.0014","3.9036","0.0004","15.4205","0.0016","90","","104.044","0.002","90","","768.79","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H14 N2 -","- C23 H14 N2 -","- C46 H28 N4 -","2","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0495","0.0364","","","0.085","0.0929","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113425","9.567","0.004","10.217","0.005","13.598","0.005","90","","108.139","0.018","90","","1263.1","0.9","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Cl2 Si W -","- C26 H36 Cl2 Si W -","- C52 H72 Cl4 Si2 W2 -","2","1","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.027","0.0249","","","0.0599","0.0609","","","","","","1.058","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113430","16.367","0.004","43.536","0.008","16.507","0.003","90","","101.856","0.007","90","","11511","4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H89.33 N4 Ni O9 -","- C68 H88.6667 N4 Ni O9 -","- C408 H532 N24 Ni6 O54 -","6","3","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.2427","0.1064","","","0.2465","0.2894","","","","","","1.158","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113432","16.8288","0.0008","19.5869","0.0009","20.0979","0.0009","90","","110.327","0.001","90","","6212.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.5 H74.75 N4.25 Ni O9 -","- C60.5 H68.25 N4.25 Ni O9 -","- C242 H273 N17 Ni4 O36 -","4","2","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.0954","0.0637","","","0.1649","0.1772","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113440","9.9307","0.0014","15.139","0.002","13.712","0.002","90","","107.892","0.003","90","","1961.8","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 B O P3 Pd -","- C42 H46 B O P3 Pd -","- C84 H92 B2 O2 P6 Pd2 -","2","1","","Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold","Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds","Journal of the American Chemical Society","2003","125","","1180","1181","10.1021/ja029404c","","","0.71073","MoKα","","0.1501","0.0787","","","0.1141","0.1389","","","","","","1.023","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113441","9.9565","0.0007","17.8335","0.0013","11.1574","0.0007","90","","91.672","0.001","90","","1980.3","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 B O P3 Pd -","- C42 H46 B O P3 Pd -","- C84 H92 B2 O2 P6 Pd2 -","2","1","","Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold","Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds","Journal of the American Chemical Society","2003","125","","1180","1181","10.1021/ja029404c","","","0.71073","MoKα","","0.0764","0.0528","","","0.1109","0.126","","","","","","0.925","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113472","13.5318","0.0008","19.2882","0.0011","15.2523","0.0008","90","","111.847","0.001","90","","3695","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","5d(SnCl4","","","- C24 H50 Cl6 N6 O2 P2 Sn -","- C24 H50 Cl6 N6 O2 P2 Sn -","- C96 H200 Cl24 N24 O8 P8 Sn4 -","4","2","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.0363","0.0304","","","0.0758","0.0785","","","","","","1.019","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113477","11.547","0.001","7.422","0.001","14.5184","0.0008","90","","100.326","0.007","90","","1224.1","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 F7 N O2 -","- C27 H22 F7 N O2 -","- C54 H44 F14 N2 O4 -","2","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","1.54184","CuKα","","","0.076","","","0.222","0.257","","","","1.057","1.057","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113492","11.496","0.008","15.287","0.009","13.237","0.009","90","","114.96","0.01","90","","2109","2","173.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H54 Mo N4 S2 Si4 -","- C32 H54 Mo N4 S2 Si4 -","- C64 H108 Mo2 N8 S4 Si8 -","2","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.059","","","","0.168","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113531","9.7629","0.0009","17.059","0.001","9.753","0.0009","90","","101.909","0.003","90","","1589.4","0.2","293.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 Gd N5 O13 -","- C22 H30 Gd N5 O13 -","- C44 H60 Gd2 N10 O26 -","2","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0712","","","","0.2063","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113542","7.1956","0.0004","9.8812","0.0006","10.0669","0.0005","90","","107.374","0.002","90","","683.11","0.07","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C30 H36 O6 S2 -","2","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.032","","","","0.094","","","","","","1.491","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113544","5.9304","0.0003","16.493","0.001","14.995","0.001","90","","89.053","0.003","90","","1466.46","0.15","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 S -","- C15 H17 Br O3 S -","- C60 H68 Br4 O12 S4 -","4","2","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.044","","","","0.099","","","","","","1.307","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113549","8.4622","0.0007","8.0474","0.0006","11.547","0.001","90","","110.062","0.003","90","","738.62","0.11","123.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C34 H36 O6 S2 -","2","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.0346","","","","0.0866","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113566","11.535","0.001","11.367","0.001","17.759","0.001","90","","95.8","0.001","90","","2316.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H68 O2 P2 Pt S2 -","- C44 H68 O2 P2 Pt S2 -","- C88 H136 O4 P4 Pt2 S4 -","2","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0681","0.0329","","","0.0686","0.0787","","","","","","0.925","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113573","3.9983","0.0003","11.1403","0.0007","12.1514","0.0009","90","","98.977","0.006","90","","534.62","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O4 -","- C11 H9 Br O4 -","- C22 H18 Br2 O8 -","2","1","","D. K. Barma; Abhijit Kundu; Hongming Zhang; Charles Mioskowski; J. R. Falck","(Z)-α-Haloacrylates: An Exceptionally Stereoselective Preparation via Cr(II)-Mediated Olefination of Aldehydes with Trihaloacetates","Journal of the American Chemical Society","2003","125","","3218","3219","10.1021/ja029938d","","","0.71073","MoKα","","0.05","0.038","","","0.087","0.091","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113574","3.8998","0.0003","11.1155","0.0007","11.977","0.0009","90","","97.46","0.005","90","","514.79","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C22 H18 Cl2 O8 -","2","1","","D. K. Barma; Abhijit Kundu; Hongming Zhang; Charles Mioskowski; J. R. Falck","(Z)-α-Haloacrylates: An Exceptionally Stereoselective Preparation via Cr(II)-Mediated Olefination of Aldehydes with Trihaloacetates","Journal of the American Chemical Society","2003","125","","3218","3219","10.1021/ja029938d","","","0.71073","MoKα","","0.039","0.033","","","0.087","0.09","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113591","11.095","0.002","7.211","0.001","13.267","0.002","90","","101.47","0.01","90","","1040.2","0.3","293","2","293","2","","","","","","","see paper","5","P 1 21 1","P 2yb","4","","(E)-(2R,3R,4S)-1-((R)-10,10-Dimethyl-3,3-dioxo-3-thia-4-aza- tricyclo[5.2.1]dec-4-yl)-3-hydroxy-2,4-dimethyl-oct-6-en-1-one","","- C20 H33 N O4 S -","- C20 H33 N O4 S -","- C40 H66 N2 O8 S2 -","2","1","","Richard Sedrani; Jörg Kallen; Luisa M. Martin Cabrejas; Charles D. Papageorgiou; Francesco Senia; Stefan Rohrbach; Dieter Wagner; Binh Thai; Anne-Marie Jutzi Eme; Julien France; Lukas Oberer; Grety Rihs; Gerhard Zenke; Jürgen Wagner","Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure, and Binding Data","Journal of the American Chemical Society","2003","125","","3849","3859","10.1021/ja021327y","","","1.54178","CuKα","","0.098","0.0796","","","0.1974","0.2221","","","","","","1.113","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113674","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Naoya Kumagai; Shinji Harada; Masakatsu Shibasaki","anti-Selective Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Providing β-Amino Alcohols","Journal of the American Chemical Society","2003","125","","4712","4713","10.1021/ja034787f","","","0.7107","MoKα","","","0.0391","","","","0.0518","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113692","9.3266","0.0005","15.8144","0.0008","11.1575","0.0006","90","","90.195","0.001","90","","1645.66","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 N2 O2 Zn2 -","- C38 H46 N2 O2 Zn2 -","- C76 H92 N4 O4 Zn4 -","2","1","","Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama","Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes","Journal of the American Chemical Society","2003","125","","5501","5510","10.1021/ja028666b","","","0.71073","MoKα","","0.0341","0.031","","","0.0703","0.0711","","","","","","0.977","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113715","9.1024","0.0005","9.774","0.0006","16.2918","0.0008","90","","101.871","0.002","90","","1418.43","0.14","273.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H28 F6 Mn N4 O6 S2 -","- C22 H28 F6 Mn N4 O6 S2 -","- C44 H56 F12 Mn2 N8 O12 S4 -","2","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.045","","","","0.108","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113768","7.4249","0.0009","7.4721","0.0009","12.1184","0.0015","90","","99.879","0.002","90","","662.35","0.14","213","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C26 H38 Br2 O6 -","2","1","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.0441","0.0374","","","0.0901","0.0935","","","","","","1.004","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113769","9.2413","0.0011","6.7008","0.0008","19.746","0.002","90","","100.454","0.002","90","","1202.5","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 I O3 -","- C12 H13 I O3 -","- C48 H52 I4 O12 -","4","2","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.0356","0.0342","","","0.0895","0.0905","","","","","","1.039","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113774","10.158","0.0006","18.8852","0.0015","10.8306","0.0006","90","","92.105","0.005","90","","2076.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O2 -","- C20 H32 N4 O2 -","- C80 H128 N16 O8 -","4","2","","Jorge Becerril; Michael Bolte; M. Isabel Burguete; Francisco Galindo; Enrique García-España; Santiago V. Luis; Juan F. Miravet","Efficient Macrocyclization of U-Turn Preorganized Peptidomimetics: The Role of Intramolecular H-Bond and Solvophobic Effects","Journal of the American Chemical Society","2003","125","","6677","6686","10.1021/ja0284759","","","0.71073","MoKα","","0.053","0.038","","","0.0659","0.069","","","","","","0.913","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113791","8.9947","0.0002","11.7801","0.0002","10.2739","0.0002","90","","105.993","0.001","90","","1046.47","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H34 N2 O5 Pd -","- C19 H34 N2 O5 Pd -","- C38 H68 N4 O10 Pd2 -","2","1","","Jaime A. Mueller; Matthew S. Sigman","Mechanistic Investigations of the Palladium-Catalyzed Aerobic Oxidative Kinetic Resolution of Secondary Alcohols Using (-)-Sparteine","Journal of the American Chemical Society","2003","125","","7005","7013","10.1021/ja034262n","","","0.71073","MoKα","","0.0213","0.0199","","","0.0458","0.0465","","","","","","1.073","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113794","4.2222","0.0006","6.9057","0.0009","7.3031","0.001","90","","98.928","0.003","90","","210.36","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H4 N2 Te Zn -","- H4 N2 Te Zn -","- H8 N4 Te2 Zn2 -","2","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0473","0.0461","","","0.1105","0.111","","","","","","1.081","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113810","6.489","0.003","37.255","0.002","8.673","0.002","90","","101.67","0.03","90","","2053.3","1.1","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H56 N6 O10 -","- C43 H50 N6 O10 -","- C86 H100 N12 O20 -","2","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","1.5418","CuKα","","","0.046","","","","0.0608","","","","","","1.662","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113816","11.4069","0.0006","21.2755","0.0013","13.3005","0.0006","90","","104.64","0.002","90","","3123.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H72 N6 O7 P Tb -","- C66 H72 N6 O7 P Tb -","- C132 H144 N12 O14 P2 Tb2 -","2","1","","Hao Xin; Fu You Li; Mei Shi; Zu Qiang Bian; Chun Hui Huang","Efficient Electroluminescence from a New Terbium Complex","Journal of the American Chemical Society","2003","125","","7166","7167","10.1021/ja034087a","","","0.71073","MoKα","","0.09","0.0397","","","0.0668","0.0732","","","","","","0.698","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113836","9.4865","0.0005","16.5147","0.0008","12.2829","0.0006","90","","106.567","0.002","90","","1844.44","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H62 O3 Si6 Sr -","- C24 H62 O3 Si6 Sr -","- C48 H124 O6 Si12 Sr2 -","2","1","","Keith Izod; Stephen T. Liddle; William Clegg","Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)","Journal of the American Chemical Society","2003","125","","7534","7535","10.1021/ja0352404","","","0.71073","MoKα","","0.0301","0.0253","","","0.0562","0.0581","","","","","","0.817","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113838","8.098","0.002","22.593","0.006","17.761","0.005","90","","90.575","0.005","90","","3249.4","1.5","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O6 Ru S -","- C35 H40 N2 O6 Ru S -","- C140 H160 N8 O24 Ru4 S4 -","4","2","","Masahito Watanabe; Kunihiko Murata; Takao Ikariya","Enantioselective Michael Reaction Catalyzed by Well-Defined Chiral Ru Amido Complexes: Isolation and Characterization of the Catalyst Intermediate, Ru Malonato Complex Having a Metal-Carbon Bond","Journal of the American Chemical Society","2003","125","","7508","7509","10.1021/ja035435b","","","0.7107","MoKα","","","0.09","","","","0.208","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113866","9.8954","0.0015","8.833","0.0013","24.243","0.003","90","","93.538","0.005","90","","2114.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H51 Br N2 O9 S -","- C41 H51 Br N2 O9 S -","- C82 H102 Br2 N4 O18 S2 -","2","1","","Ruichao Shen; Cheng Ting Lin; Emma Jean Bowman; Barry J. Bowman; John A. Porco","Lobatamide C: Total Synthesis, Stereochemical Assignment, Preparation of Simplified Analogues, and V-ATPase Inhibition Studies","Journal of the American Chemical Society","2003","125","","7889","7901","10.1021/ja0352350","","","0.71073","MoKα","","0.075","0.0524","","","0.1265","0.1379","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113867","5.5407","0.0005","7.4651","0.0007","8.8448","0.0009","90","","90.841","0.002","90","","365.8","0.06","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba2 Mo4 O18 Te2 -","2","1","","Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani","Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)","Journal of the American Chemical Society","2003","125","","7764","7765","10.1021/ja035314b","","","0.71073","MoKα","","0.0313","0.0305","","","0.0781","0.0787","","","","","","1.078","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113868","5.49","0.002","7.446","0.003","8.887","0.003","90","","90.37","0.006","90","","363.3","0.2","293","0.2","293","0.2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba2 O18 Te2 W4 -","2","1","","Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani","Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)","Journal of the American Chemical Society","2003","125","","7764","7765","10.1021/ja035314b","","x-ray","0.71073","MoKα","","0.0601","0.06","","","0.1589","0.1591","","","","","","1.082","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113870","8.9389","0.0002","6.2634","0.0002","24.0333","0.0006","90","","98.464","0.002","90","","1330.92","0.06","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 Si -","- C26 H37 N O6 Si -","- C52 H74 N2 O12 Si2 -","2","1","","Ming Yu; Brian L. Pagenkopf","Formal [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes and Nitriles","Journal of the American Chemical Society","2003","125","","8122","8123","10.1021/ja029716f","","","0.71073","MoKα","","0.1313","0.0678","","","0.099","0.1232","","","","","","1.087","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113880","9.7585","0.0009","7.1081","0.0005","11.1343","0.0008","90","","102.922","0.004","90","","752.77","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-isopropenyl-6a-methyl-2,3,4a,5,6,6a,7,8,9,10-decahydro-1H-benzo[f]chromen-2-ol","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0674","0.0582","","0.1148","0.1087","","","","1.205","1.222","1.222","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113882","10.9982","0.0005","10.2218","0.0006","17.0659","0.0011","90","","104.751","0.002","90","","1855.34","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H53 N O3 Si -","- C40 H57 N O3 Si -","- C80 H114 N2 O6 Si2 -","2","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0898","0.0748","","0.1428","0.1339","","","","1.175","1.212","1.212","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113954","9.5084","0.0013","11.7595","0.0016","24.704","0.004","90","","95.202","0.003","90","","2750.9","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H60 F12 N4 Ni2 O16 S4 -","- C38 H60 F12 N4 Ni2 O16 S4 -","- C76 H120 F24 N8 Ni4 O32 S8 -","2","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0404","0.0347","","","0.0776","0.0829","","","","","","1.003","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113958","7.685","0.001","8.4184","0.0011","11.5718","0.0015","90","","91.589","0.002","90","","748.35","0.17","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N O2 S2 -","- C13 H14 Cl N O2 S2 -","- C26 H28 Cl2 N2 O4 S4 -","2","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.041","0.0366","","","0.0941","0.0973","","","","","","1.055","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113973","9.4928","0.0002","15.1888","0.0005","13.5344","0.0004","90","","91","","90","","1951.15","0.1","183.2","","183.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H53 Br Fe O P2 Pd -","- C42 H53 Br Fe O P2 Pd -","- C84 H106 Br2 Fe2 O2 P4 Pd2 -","2","1","","Amy H. Roy; John F. Hartwig","Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature","Journal of the American Chemical Society","2003","125","","8704","8705","10.1021/ja035835z","","","0.7107","MoKalpha","","","0.0421","","","0.0414","","","","","1.366","1.366","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114045","5.727","0.002","17.49","0.003","6.955","0.002","90","","110.2","0.02","90","","653.8","0.3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C28 H42 N2 O6 -","2","1","","Marco Lerm; Hans-Joachim Gais; Kejun Cheng; Cornelia Vermeeren","Asymmetric Synthesis of the Highly Potent Anti-Metastatic Prostacyclin Analogue Cicaprost and Its Isomer Isocicaprost","Journal of the American Chemical Society","2003","125","","9653","9667","10.1021/ja030200l","","","1.54179","CuKα","","","0.09","","","","0.102","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114074","22.793","0.001","20.785","0.001","24.747","0.001","90","","106.387","0.003","90","","11247.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C368 H152 Cl16 Cr4 -","- C368 H152 Cl16 Cr4 -","- C736 H304 Cl32 Cr8 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Gunzi Saito; Akihiro Otsuka; Yukihiro Yoshida; Rimma N. Lyubovskaya","Formation of Single-Bonded (C60-)2 and (C70-)2 Dimers in Crystalline Ionic Complexes of Fullerenes","Journal of the American Chemical Society","2003","125","","10074","10083","10.1021/ja035546a","","","0.71073","MoKα","","0.0812","0.0508","","","0.1239","0.1469","","","","","","1.015","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114083","14.36","0.05","6.58","0.05","20.31","0.05","90","","104.3","0.2","90","","1860","16","","","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O3 P -","- C15 H25.5 B O3 P -","- C60 H102 B4 O12 P4 -","4","2","","Garrett Hoge","Synthesis of Both Enantiomers of a P-Chirogenic 1,2-Bisphospholanoethane Ligand via Convergent Routes and Application to Rhodium-Catalyzed Asymmetric Hydrogenation of CI-1008 (Pregabalin)","Journal of the American Chemical Society","2003","125","","10219","10227","10.1021/ja034715o","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114101","12.1641","0.0013","5.7004","0.0006","13.6078","0.0015","90","","108.086","0.002","90","","896.95","0.17","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O4 -","- C17 H22 Br N O4 -","- C34 H44 Br2 N2 O8 -","2","1","","Chuo Chen; Xiaodong Li; Stuart L. Schreiber","Catalytic Asymmetric [3+2] Cycloaddition of Azomethine Ylides. Development of a Versatile Stepwise, Three-Component Reaction for Diversity-Oriented Synthesis","Journal of the American Chemical Society","2003","125","","10174","10175","10.1021/ja036558z","","","0.71073","MoKα","","0.0423","0.0361","","","0.0924","0.0956","","","","","","1.004","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114136","18.578","0.006","8.438","0.003","18.997","0.007","90","","90.194","0.006","90","","2978","1.8","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H43 N4 O13.5 -","- C26 H43 N4 O13.5 -","- C104 H172 N16 O54 -","4","2","","Renate M. van Well; Luciana Marinelli; Cornelis Altona; Kees Erkelens; Gregg Siegal; Mark van Raaij; Antonio L. Llamas-Saiz; Horst Kessler; Ettore Novellino; Antonio Lavecchia; Jacques H. van Boom; Mark Overhand","Conformational Analysis of Furanoid ε-Sugar Amino Acid Containing Cyclic Peptides by NMR Spectroscopy, Molecular Dynamics Simulation, and X-ray Crystallography: Evidence for a Novel Turn Structure","Journal of the American Chemical Society","2003","125","","10822","10829","10.1021/ja035461+","","x-ray","0.71073","MoKα","","0.1664","0.1433","","","0.3781","0.3947","","","","","","1.386","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114171","8.2859","0.0001","22.4833","0.0004","8.3652","0.0001","90","","114.661","0.001","90","","1416.25","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1 Aceton solvate","","- C20 H42 Br5 N O -","- C20 H42 Br5 N O -","- C40 H84 Br10 N2 O2 -","2","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0575","0.0438","","0.1038","0.0945","","","","1.113","1.104","1.104","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114203","10.3906","","9.6213","0.0001","13.4593","0.0005","90","","95.347","0.002","90","","1339.69","0.05","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N O3 Si -","- C26 H37 N O3 Si -","- C52 H74 N2 O6 Si2 -","2","1","","Naoki Kise; Hiroshi Ozaki; Noriaki Moriyama; Yasuo Kitagishi; Nasuo Ueda","Electroreductive Intramolecular Coupling of Chiral α-Imino Esters: Stereoselective Synthesis of Mixed Ketals of cis-2,4-Disubstituted Azetidine-3-ones","Journal of the American Chemical Society","2003","125","","11591","11596","10.1021/ja036975b","","","0.7107","MoKα","","","0.059","","","","0.195","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114207","17.6761","0.0006","9.1902","0.0003","19.6839","0.0007","90","","103.483","0.001","90","","3109.46","0.18","141.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 N5 O4 S2 Zr -","- C26 H43 N5 O4 S2 Zr -","- C104 H172 N20 O16 S8 Zr4 -","4","2","","Lutz Ackermann; Robert G. Bergman; Rebecca N. Loy","Use of Group 4 Bis(sulfonamido) Complexes in the Intramolecular Hydroamination of Alkynes and Allenes","Journal of the American Chemical Society","2003","125","","11956","11963","10.1021/ja0361547","","","0.7107","MoKα","","","0.0396","","","","0.0455","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114246","9.1268","0.0011","15.632","0.003","9.5243","0.0009","90","","118.474","0.007","90","","1194.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H24 F9 K O8 S -","- C15 H24 F9 K O8 S -","- C30 H48 F18 K2 O16 S2 -","2","1","","Dmitri V. Sevenard; Alexander A. Kolomeitsev; Berthold Hoge; Enno Lork; Gerd-Volker Röschenthaler","Noncyclic [10-S-5] Sulfuranide Dioxide Salts with Three S-C Bonds: A New Class of Stable Hypervalent Compounds","Journal of the American Chemical Society","2003","125","","12366","12367","10.1021/ja030155h","","","0.71073","MoKα","","0.0623","0.0499","","","0.1144","0.1215","","","","","","1.042","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114255","9.8668","0.0003","15.9815","0.0004","13.1301","0.0004","90","","95.106","0.001","90","","2062.22","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Complex PPh4 3(H2)0","","- C43 H48 Fe N4 O8 P -","- C43 H48 Fe N4 O8 P -","- C86 H96 Fe2 N8 O16 P2 -","2","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.71073","MoKα","","0.037","0.0317","","","0.0733","0.0764","","","","","","1.019","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114256","11.459","0.008","13.782","0.009","14.696","0.005","90","","107.89","0.03","90","","2209","2","291.2","","291.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H53 F3 Ir2 O3 P2 S -","- C46 H51 F3 Ir2 O3 P2 S -","- C92 H102 F6 Ir4 O6 P4 S2 -","2","1","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0455","0.045","","0.044","","0.044","","","1.206","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114258","10.845","0.003","19.462","0.004","17.299","0.004","90","","107.7","0.02","90","","3478.4","1.5","203.2","","203.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H49 F3 Ir2 O4 P2 S -","- C30 H47 F3 Ir2 O4 P2 S -","- C120 H188 F12 Ir8 O16 P8 S4 -","4","2","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0326","0.033","","0.032","","0.032","","","1.183","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114272","11.173","0.0002","8.94","0.0002","11.669","0.0002","90","","98.011","0.0012","90","","1154.2","0.04","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C62 H58 N2 O4 -","2","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0366","0.0333","","","0.0788","0.0813","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114273","7.75","0.0002","9.632","0.0002","13.403","0.0003","90","","102.561","0.0015","90","","976.56","0.04","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0384","0.0351","","","0.0861","0.0885","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114318","9.223","0.004","8.553","0.004","10.143","0.005","90","","117.04","0.04","90","","712.7","0.6","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson","Constructing a Stable Carbene with a Novel Topology and Electronic Framework","Journal of the American Chemical Society","2003","125","","13314","13315","10.1021/ja0372661","","","0.71073","MoKα","","0.088","0.0759","","","0.2471","0.2596","","","","","","1.035","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114329","4.58","0.02","11.27","0.03","14.71","0.05","90","0.007","91.3","0.8","90","","759","5","153.2","","153.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H16 N2 O -","- C21 H14 N2 O -","- C42 H28 N4 O2 -","2","1","","Todd L. Kurth; Frederick D. Lewis","Ground-State Conformational Equilibrium and Photochemical Behavior of Syn and Anti N,N'-Dimethyl-N,N'-di-1-naphthylurea Protophanes","Journal of the American Chemical Society","2003","125","","13760","13767","10.1021/ja034311w","","","0.70932","synchrotron","","0.1961","0.149","","0.275","","","","","9.503","","","9.5","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114330","11.239","0.005","10.953","0.005","12.182","0.005","90","0.005","105.337","0.005","90","0.005","1446.2","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 Cl N4 -","- C26 H49 Cl N4 -","- C52 H98 Cl2 N8 -","2","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71069","MoKα","","0.1003","0.0691","","","0.1785","0.1963","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114336","10.9999","0.0003","12.3577","0.0002","16.7301","0.0003","90","","93.935","0.001","90","","2268.82","0.08","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 F6 N4 O4 P -","- C48 H53 F6 N4 O4 P -","- C96 H106 F12 N8 O8 P2 -","2","1","","Sung-Gon Kim; Kyung-Hyun Kim; Young Kook Kim; Seung Koo Shin; Kyo Han Ahn","Crucial Role of Three-Center Hydrogen Bonding in a Challenging Chiral Molecular Recognition","Journal of the American Chemical Society","2003","125","","13819","13824","10.1021/ja037031p","","","0.71073","MoKα","","0.0917","0.0665","","","0.1434","0.165","","","","","","1.106","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114342","12.7609","0.0007","11.7641","0.0007","18.4451","0.0011","90","","105.703","0.001","90","","2665.6","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H50 Li2 N2 O -","- C25 H50 Li2 N2 O -","- C100 H200 Li8 N8 O4 -","4","2","","Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach","The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]","Journal of the American Chemical Society","2003","125","","13672","13673","10.1021/ja0374372","","","0.71073","MoKα","","0.0912","0.051","","","0.0747","0.0801","","","","","","1.011","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114374","9.175","0.002","13.37","0.002","11.119","0.002","90","","103.68","0.02","90","","1325.3","0.4","301.2","","301.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H39 N3 O5 -","- C24 H39 N3 O5 -","- C48 H78 N6 O10 -","2","1","","Dan Yang; Jin Qu; Wei Li; De-Ping Wang; Yi Ren; Yun-Dong Wu","A Reverse Turn Structure Induced by ad,l-α-Aminoxy Acid Dimer","Journal of the American Chemical Society","2003","125","","14452","14457","10.1021/ja029514j","","","0.7107","MoKalpha","","","0.0821","","","0.1046","","","","","1.747","1.747","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114446","10.144","0.001","15.382","0.002","13.469","0.002","90","","106.173","0.002","90","","2018.5","0.4","100","1","100","1","","","","","","","see text","2","P 1 21 1","P 2yb","4","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","2","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0923","0.0824","","","0.205","0.2161","","","","","","1.046","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114508","12.8602","0.0015","22.101","0.003","13.791","0.0016","90","","107.936","0.002","90","","3729.2","0.8","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{1-methylimidazole}octaethyltetraphenylporphinato Iron(III) chloride","","- C76 H86 Cl7 Fe N8 -","- C76 H86 Cl7 Fe N8 -","- C152 H172 Cl14 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.0754","0.0563","","","0.1338","0.1445","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114519","12.18","0.004","7.25","0.002","17.807","0.005","90","","100.204","0.006","90","","1547.6","0.8","173","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21 1","P 2yb","4","guanidinium_4'-ethylbiphenyl-4-sulfonate","","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","2","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0943","0.0594","","","0.142","0.1652","","","","","","1.032","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114541","11.573","0.002","8.533","0.002","14.077","0.003","90","","106.87","0.03","90","","1330.3","0.5","253","2","253","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Au F5 P -","- C26 H33 Au F5 P -","- C52 H66 Au2 F10 P2 -","2","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0431","0.0384","","","0.1021","0.1044","","","","","","1.034","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114552","9.939","0.002","9.16","0.002","12.154","0.002","90","","103.05","0.01","90","","1077.9","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R)-1-amidomethyl-3-isobutyl-3-[(2S)-1-(tert-butoxycarbonyl)- pyrrolidin-2-yl-carbonylamino]azetidin-2-one","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.067","0.044","","0.0416","0.0392","0.0392","","","1.538","","","1.614","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114624","10.0281","0.0004","11.4783","0.0005","16.8217","0.0007","90","","95.653","0.01","90","","1926.85","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0558","0.0414","","","0.0925","0.0983","","","","","","1.036","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114625","10.23","0.0003","9.0097","0.0003","12.3888","0.0003","90","","108.482","0.001","90","","1082.97","0.06","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0445","0.0327","","","0.0714","0.0746","","","","","","1.003","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114627","9.4192","0.0001","10.1201","0.0001","11.8636","0.0003","90","","106.668","0.002","90","","1083.36","0.03","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0452","0.0424","","","0.1127","0.1144","","","","","","1.086","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114629","9.4494","0.0009","9.702","0.001","13.061","0.001","90","","110.371","0.002","90","","1122.52","0.18","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N O3 -","- C26 H34 N O3 -","- C52 H68 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0463","0.0426","","","0.1096","0.1137","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114630","10.555","0.002","10.119","0.002","26.478","0.004","90","","99.201","0.002","90","","2791.6","0.9","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C132 H138 N6 O6 S6 -","6","3","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0991","0.0918","","","0.2415","0.2466","","","","","","1.073","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114633","8.4524","0.0007","8.0786","0.0007","13.8705","0.0012","90","","98.816","0.002","90","","935.94","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C42 H54 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0412","0.0403","","","0.1094","0.1107","","","","","","1.021","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114635","5.2688","0.0003","21.7645","0.0012","9.7497","0.0006","90","","93.748","0.001","90","","1115.63","0.11","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O S -","- C26 H24 Cl N O S -","- C52 H48 Cl2 N2 O2 S2 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0369","0.0318","","","0.0796","0.0823","","","","","","1.034","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114642","10.1078","0.001","11.1252","0.001","17.0275","0.0016","90","","101.302","0.002","90","","1877.6","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0984","0.0458","","","0.0625","0.0692","","","","","","1.002","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114654","15.756","0.0001","26.462","0.0002","43.2486","0.0005","90","","94.425","0.001","90","","17978.1","0.3","188","2","188","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C224 H462 N132 O171 Pt4 -","- C224 H270 N132 O174 Pt4 -","- C448 H540 N264 O348 Pt8 -","2","1","","Ki-Min Park; Soo-Young Kim; Jungseok Heo; Dongmok Whang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces","Journal of the American Chemical Society","2002","124","","2140","2147","10.1021/ja011654q","","","0.71073","MoKα","","0.1159","0.0801","","","0.1733","0.2062","","","","","","1.162","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114679","7.621","0.002","9.817","0.002","14.663","0.004","90","","91.74","0.03","90","","1096.5","0.5","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H35 Br O S Si -","- C34 H70 Br2 O2 S2 Si2 -","- C34 H70 Br2 O2 S2 Si2 -","","","","Song Ye; Zheng-Zheng Huang; Chun-An Xia; Yong Tang; Li-Xin Dai","A Novel Chiral Sulfonium Yilde: Highly Enantioselective Synthesis of Vinylcyclopropanes","Journal of the American Chemical Society","2002","124","","2432","2433","10.1021/ja0172969","","","0.7107","MoKalpha","","","0.062","","","0.069","","","","","2.44","2.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114720","6.962","0.001","20.91","0.003","7.2754","0.0011","90","","106.319","0.003","90","","1016.4","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O9 -","- C21 H20 N2 O9 -","- C42 H40 N4 O18 -","2","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0457","0.0356","","","0.0793","0.084","","","","","","1.013","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114738","8.155","0.002","17.61","0.004","17.818","0.002","90","","91.87","0.01","90","","2557.5","0.9","223.2","","223.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H37 O2 P -","- C27 H37 O2 P -","- C108 H148 O8 P4 -","4","2","","Li-Biao Han; Chang-Qiu Zhao; Shun-ya Onozawa; Midori Goto; Masato Tanaka","Retention of Configuration on the Oxidative Addition of P-H Bond to Platinum (0) Complexes: The First Straightforward Synthesis of Enantiomerically Pure P-Chiral Alkenylphosphinates via Palladium-Catalyzed Stereospecific Hydrophosphinylation of Alkynes","Journal of the American Chemical Society","2002","124","","3842","3843","10.1021/ja025816+","","","0.7107","MoKα","","0.0443","0.0443","","","0.0542","0.0542","","","","","","1.361","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114742","12.9834","0.0005","5.6602","0.0002","21.9238","0.0007","90","","100.692","0.001","90","","1583.18","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","2","","Man-kit Leung; Ashis B. Mandal; Chih-Chieh Wang; Gene-Hsiang Lee; Shie-Ming Peng; Hsing-Ling Cheng; Guor-Rong Her; Ito Chao; Hsiu-Feng Lu; Ying-Chieh Sun; Mei-Ying Shiao; Pi-Tai Chou","Self-Complementarity of Oligo-2-aminopyridines: A New Class of Hydrogen-Bonded Ladders","Journal of the American Chemical Society","2002","124","","4287","4297","10.1021/ja011679p","","","0.71073","MoKα","","0.1027","0.0627","","0.127","0.1087","","","","1.109","1.175","1.175","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114759","14.3448","0.0004","27.295","0.0007","16.2612","0.0005","90","","91.495","0.009","90","","6364.8","0.3","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55.5 H76 Cl1.5 Co N4 O3 -","- C55.5 H76 Cl1.5 Co N4 O3 -","- C222 H304 Cl6 Co4 N16 O12 -","4","2","","Rhiana Bobb; Gamil Alhakimi; Lisa Studnicki; Alan Lough; Jik Chin","Stereoselective Recognition of an Aziridine with a Co(III) Complex: A Potential Transition-State Analogue for Catalytic Epoxidation","Journal of the American Chemical Society","2002","124","","4544","4545","10.1021/ja017418x","","","0.71073","MoKα","","0.1081","0.0769","","","0.1949","0.2088","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114774","8.6518","0.0006","10.0312","0.0008","14.6724","0.0009","90","","97.809","0.004","90","","1261.58","0.15","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O3 -","- C29 H36 O3 -","- C58 H72 O6 -","2","1","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.0775","0.068","","","0.1639","0.1721","","","","","","1.059","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114815","14.0562","0.0014","5.4159","0.0006","18.8953","0.0016","90","0.008","111.635","0.008","90","0.008","1337.1","0.2","293","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H26 O8 S -","- C32 H26 O8 S -","- C64 H52 O16 S2 -","2","1","","David Crich; Jan Mataka; Lev N. Zakharov; Arnold L. Rheingold; Donald J. Wink","Stereoselective Formation of Glycosyl Sulfoxides and Their Subsequent Equilibration: Ring Inversion of an α-Xylopyranosyl Sulfoxide Dependent on the Configuration at Sulfur","Journal of the American Chemical Society","2002","124","","6028","6036","10.1021/ja0122694","","","0.71073","MoKα","","0.123","0.084","","0.062","0.052","","","","3.547","3.869","3.869","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114830","12.593","0.003","30.774","0.007","11.704","0.003","90","","110.88","0.005","90","","4237.9","1.8","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H112 Cl10 Cr2 N4 O4 -","- C75.8 H111.4 Cl10 Cr2.008 N4 O4 -","- C151.6 H222.8 Cl20 Cr4.016 N8 O8 -","2","1","","Donald J. Darensbourg; Jason C. Yarbrough","Mechanistic Aspects of the Copolymerization Reaction of Carbon Dioxide and Epoxides, Using a Chiral Salen Chromium Chloride Catalyst","Journal of the American Chemical Society","2002","124","","6335","6342","10.1021/ja012714v","","","0.71073","MoKα","","0.2765","0.1079","","","0.2488","0.3453","","","","","","0.693","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114877","6.834","0.003","17.68","0.007","15.981","0.006","90","","101.05","0.005","90","","1895.1","1.3","168","2","168","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sn4(THME)2[N(Si2)(CH3)6]2","","","- C22 H54 N2 O6 Si4 Sn4 -","- C22 H54 N2 O6 Si4 Sn4 -","- C44 H108 N4 O12 Si8 Sn8 -","2","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0454","0.0413","","","0.0975","0.1016","","","","","","1.032","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114887","6.7055","0.0003","8.2104","0.0003","13.4884","0.0006","90","","101.287","0.002","90","","728.24","0.05","100","","100","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.11","0.0725","","","0.1666","0.1901","","","","","","1.024","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114890","11.7691","0.0002","5.7168","0.0001","18.3157","0.0002","90","","108.209","0.001","90","","1170.6","0.03","100","","100","","","","","","","","see paper","4","P 1 21 1","P 2yb","4","","(2R,3S,4S)-2,3-((1-methylethylidene)-dioxy)-1,4-O-p-bromobenzoyloxy-heptane","","- C24 H26 Br2 O6 -","- C24 H26 Br2 O6 -","- C48 H52 Br4 O12 -","2","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.0426","0.0377","","","0.0979","0.1071","","","","","","1.123","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114895","11.21","0","7.938","0.001","11.76","0","90","","114.33","0","90","","953.52","0.12","273.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C40 H40 Br2 N2 O6 -","2","1","","Barry M. Trost; Kalindi Dogra","Synthesis of Novel Quaternary Amino Acids Using Molybdenum-Catalyzed Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2002","124","","7256","7257","10.1021/ja020290e","","","0.7107","MoKα","","","0.033","","","","0.082","","","","","","0.721","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114902","5.6183","0.0011","9.0867","0.0018","9.844","0.002","90","","90.41","0.03","90","","502.54","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H16 B9 N -","- C2 H16 B9 N -","- C4 H32 B18 N2 -","2","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0651","0.0432","","","0.0983","0.1118","","","","","","1.062","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114928","8.957","0.003","26.048","0.008","11.715","0.004","90","","97.026","0.005","90","","2712.7","1.5","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H61 I N3 O2 U -","- C46 H61 I N3 O2 U -","- C92 H122 I2 N6 O4 U2 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","Diuranium Inverted Sandwiches Involving Naphthalene and Cyclooctatetraene","Journal of the American Chemical Society","2002","124","","7660","7661","10.1021/ja026200n","","","0.71073","MoKα","","0.0613","0.058","","","0.1674","0.1705","","","","","","1.084","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114944","19.216","0.004","16.339","0.003","20.751","0.005","90","0.02","114.05","0.02","90","0.02","5950","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H58 Ag3 N11 O10 Si4 -","- C48 H56 Ag3 N11 O9.75 Si4 -","- C192 H224 Ag12 N44 O39 Si16 -","4","2","","Ok-Sang Jung; Yun Ju Kim; Kwan Mook Kim; Young-A Lee","A 20-Å-Thick Interwoven Sheet Consisting of Nanotubes","Journal of the American Chemical Society","2002","124","","7906","7907","10.1021/ja026774s","","","0.71073","MoKα","","0.052","0.0492","","","0.1258","0.1289","","","","","","0.996","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114959","22.793","0.001","20.785","0.001","24.747","0.001","90","","106.387","0.003","90","","11247.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C368 H152 Cl16 Cr4 -","- C368 H152 Cl16 Cr4 -","- C736 H304 Cl32 Cr8 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito","The Reversible Formation of a Single-Bonded (C60-)2 Dimer in Ionic Charge Transfer Complex: Cp*2Cr.C60(C6H4Cl2)2. The Molecular Structure of (C60-)2","Journal of the American Chemical Society","2002","124","","8520","8521","10.1021/ja0202614","","","0.71073","MoKα","","0.0812","0.0508","","","0.1239","0.1469","","","","","","1.015","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114967","10.3795","0.0001","12.4469","0.0001","29.6317","0.0002","90","","95.2206","0.0003","90","","3812.32","0.05","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-2-endo-[(3S)-3-tert-butoxycarbonylamino-5- (2:3,4:6-di-O-isopropyliden-α-D-glucopyranosylpentanoyl]-2- exo-trimethylsilyloxy-1,7,7-trimethylbicyclo[2.2.1]heptane","","- C35 H61 N O9 Si -","- C35 H61 N O9 Si -","- C140 H244 N4 O36 Si4 -","4","2","","Claudio Palomo; Mikel Oiarbide; Aitor Landa; M. Concepción González-Rego; Jesús M. García; Alberto González; José M. Odriozola; Manuel Martín-Pastor; Anthony Linden","Design and Synthesis of a Novel Class of Sugar-Peptide Hybrids: C-Linked Glyco β-Amino Acids through a Stereoselective ""Acetate"" Mannich Reaction as the Key Strategic Element","Journal of the American Chemical Society","2002","124","","8637","8643","10.1021/ja026250s","","","0.71073","MoKα","","0.0936","0.0419","","0.0367","0.032","0.032","","","1.299","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114976","9.152","0.022","5.706","0.006","16.959","0.024","90","0","104.683","0.06","90","0","857","3","298","","","","","","","","","","Local laboratory","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.0385","","","0.0402","","","","","1.06","1.06","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115018","8.574","0.001","23.833","0.002","12.382","0.001","90","","98.27","0.01","90","","2503.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","(5-Ethylbutylamino-3,4-diethyl-thiophen)-2-ylmethylene-4- methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile","","","- C26 H37 N3 O2 S -","- C26 H37 N3 O2 S -","- C104 H148 N12 O8 S4 -","4","2","","Frank Würthner; Sheng Yao; Tony Debaerdemaeker; Rüdiger Wortmann","Dimerization of Merocyanine Dyes. Structural and Energetic Characterization of Dipolar Dye Aggregates and Implications for Nonlinear Optical Materials","Journal of the American Chemical Society","2002","124","","9431","9447","10.1021/ja020168f","","","0.71073","MoKα","","0.0652","0.0485","","","0.1131","0.1203","","","","","","0.934","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115058","9.128","0.001","7.602","0.001","13.409","0.001","90","","97.455","0.007","90","","922.6","0.17","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O -","- C26 H30 O -","- C52 H60 O2 -","2","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0417","","","","0.0804","","","","","","1.245","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115077","5.765","0.0012","19.431","0.004","10.821","0.002","90","","99.26","0.03","90","","1196.4","0.4","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N3 O5 -","- C21 H39 N3 O5 -","- C42 H78 N6 O10 -","2","1","","Dan Yang; Yu-Hui Zhang; Nian-Yong Zhu","β2,2-Aminoxy Acids: A New Building Block for Turns and Helices","Journal of the American Chemical Society","2002","124","","9966","9967","10.1021/ja026966n","","","0.71069","MoKα","","0.0556","0.0509","","","0.1478","0.152","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115096","10.7288","0.0006","11.5841","0.0006","23.331","0.002","90","","95.678","0.002","90","","2885.4","0.3","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Br2 N O8 S -","- C25 H31 Br2 N O8 S -","- C100 H124 Br8 N4 O32 S4 -","4","2","","Bernhard J. Paul; Jerremey Willis; Theodore A. Martinot; Ion Ghiviriga; Khalil A. Abboud; Tomas Hudlicky","Synthesis, Structure, and Biological Evaluation of Novel N- and O-Linked Diinositols","Journal of the American Chemical Society","2002","124","","10416","10426","10.1021/ja0205378","","","0.71073","MoKα","","0.1237","0.0437","","","0.0561","0.0683","","","","","","0.814","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115102","10.524","0.0002","7.1324","0.0002","20.2579","0.0005","90","","90.699","0.001","90","","1520.47","0.06","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R)-2-endo-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-1,7,7- trimethylbicyclo[2.2.1]heptan-2-ol","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","2","","Palomo, Claudio; Oiarbide, Mikel; García, Jesús M.; González, Alberto; Lecumberri, Ainara; Linden, Anthony","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.0551","0.0453","","0.047","0.0462","0.0462","","","2.393","","","2.517","","","","has coordinates","209437","2020-10-21","18:00:00",""
"4115103","10.4081","0.0004","7.2528","0.0004","20.396","0.001","90","","96.562","0.002","90","","1529.56","0.13","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","(1R)-2-exo-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-1,7,7- trimethylbicyclo[2.2.1]heptan-2-ol","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","2","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Ainara Lecumberri; Anthony Linden","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.088","0.0606","","0.0626","0.0596","0.0596","","","2.088","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115104","10.8142","0.0001","7.4436","0.0001","10.9707","0.0002","90","","109.102","0.0005","90","","834.48","0.02","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R)-2-endo-[(1R,2R,3S,4S)-3-methyl-bicyclo[2.2.1]hept-5-en-2- ylcarbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Ainara Lecumberri; Anthony Linden","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.0516","0.0413","","0.0422","0.0411","0.0411","","","2.002","","","2.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115188","8.984","0.002","15.374","0.003","17.95","0.002","90","","92.62","0.01","90","","2476.7","0.8","286.2","","286.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 Si -","- C31 H24 N Si -","- C124 H96 N4 Si4 -","4","2","","Shin Kamijo; Yoshinori Yamamoto","Synthesis of Allyl Cyanamides and N-Cyanoindoles via the Palladium-Catalyzed Three-Component Coupling Reaction","Journal of the American Chemical Society","2002","124","","11940","11945","10.1021/ja0272742","","","0.7107","MoKα","","0.0548","0.0539","","","0.0515","0.0521","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115201","11.404","0.003","7.941","0.002","12.843","0.003","90","","105.643","0.005","90","","1120","0.5","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","","Yujiro Hayashi; Mitsuru Shoji; Junichiro Yamaguchi; Kenji Sato; Shinpei Yamaguchi; Takasuke Mukaiyama; Ken Sakai; Yukihiro Asami; Hideaki Kakeya; Hiroyuki Osada","Asymmetric Total Synthesis of (-)-Azaspirene, a Novel Angiogenesis Inhibitor","Journal of the American Chemical Society","2002","124","","12078","12079","10.1021/ja0276826","","","0.71073","MoKα","","0.0961","0.0698","","","0.1566","0.1713","","","","","","1.072","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115227","11.4255","0.0017","19.727","0.003","11.9028","0.0018","90","","93.776","0.004","90","","2677","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H80 Eu N7 O21 -","- C44 H80 Eu N7 O21 -","- C88 H160 Eu2 N14 O42 -","2","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0374","0.0304","","","0.0675","0.0705","","","","","","1.018","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115228","12.277","0.004","16.04","0.004","13.227","0.004","90","","102.2","0.02","90","","2545.9","1.3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H62 F6 N7 O14 S2 Yb -","- C42 H62 F6 N7 O14 S2 Yb -","- C84 H124 F12 N14 O28 S4 Yb2 -","2","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0248","0.0234","","","0.0566","0.0574","","","","","","1.075","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115233","10.4824","0.0009","25.322","0.002","13.754","0.0012","90","","104.515","0.002","90","","3534.3","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H45 Mo N3 O6 -","- C34 H37 Mo N3 O5 -","- C136 H148 Mo4 N12 O20 -","4","2","","Shane W. Krska; David L. Hughes; Robert A. Reamer; David J. Mathre; Yongkui Sun; Barry M. Trost","The Unusual Role of CO Transfer in Molybdenum-Catalyzed Asymmetric Alkylations","Journal of the American Chemical Society","2002","124","","12656","12657","10.1021/ja028035h","","","0.71073","MoKα","","0.0627","0.0547","","","0.1525","0.1555","","","","","","1.05","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115267","10.13","0.002","15.444","0.003","11.761","0.003","90","","114.03","0.004","90","","1680.5","0.6","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H43 N O7 S -","- C33 H43 N O7 S -","- C66 H86 N2 O14 S2 -","2","1","","Joseph P. Marino; Maria B. Rubio; Ganfeng Cao; Alfonso de Dios","Total Synthesis of (+)-Aspidospermidine: A New Strategy for the Enantiospecific Synthesis of Aspidosperma Alkaloids","Journal of the American Chemical Society","2002","124","","13398","13399","10.1021/ja026357f","","","0.71073","MoKα","","0.0821","0.0704","","","0.1819","0.1908","","","","","","1.103","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115302","12.1429","0.0003","33.2454","0.0008","15.7008","0.0004","90","","94.494","0.001","90","","6318.9","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C113 H158 Cl12 Cu6 N18 O11 -","- C56.5 H72 Cl6 Cu3 N9 O5.5 -","- C226 H288 Cl24 Cu12 N36 O22 -","4","2","","Makoto Komiyama; Shinichiro Kina; Kazunari Matsumura; Jun Sumaoka; Suzanne Tobey; Vincent M. Lynch; Eric Anslyn","Trinuclear Copper(II) Complex Showing High Selectivity for the Hydrolysis of 2'-5' over 3'-5' for UpU and 3'-5' over 2'-5' for ApA Ribonucleotides","Journal of the American Chemical Society","2002","124","","13731","13736","10.1021/ja020877t","","","0.71073","MoKα","","0.1953","0.116","","","0.1639","0.1798","","","","","","1.867","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115370","12.6893","0.001","11.0908","0.001","16.796","0.005","90","0.02","97.61","0.02","90","0.01","2343","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","stephacidin B","","","- C54 H57 N7 O8 -","- C54 H57 N7 O8 -","- C108 H114 N14 O16 -","2","1","","Jingfang Qian-Cutrone; Stella Huang; Yue-Zhong Shu; Dolatrai Vyas; Craig Fairchild; Ana Menendez; Kimberly Krampitz; Richard Dalterio; Steven E Klohr; Qi Gao","Stephacidin A and B: Two Structurally Novel, Selective Inhibitors of the Testosterone-Dependent Prostate LNCaP Cells","Journal of the American Chemical Society","2002","124","","14556","14557","10.1021/ja028538n","","","1.5418","CuKα","","0.0401","0.0373","","","0.0918","0.0947","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115393","5.4616","0.0016","25.31","0.009","18.152","0.007","90","","94.38","0.03","90","","2501.9","1.5","203","","203","","","","","","","","sigma (St. Louis, MO)","5","P 1 21 1","P 2yb","4","α-indomethacin","1-(4-chlorobenxoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C114 H96 Cl6 N6 O24 -","6","3","","Xiaoming Chen; Kenneth R. Morris; Ulrich J. Griesser; Stephen R. Byrn; Joseph G. Stowell","Reactivity Differences of Indomethacin Solid Forms with Ammonia Gas","Journal of the American Chemical Society","2002","124","50","15012","15019","10.1021/ja017662o","","","0.71073","Mo-Κα","","","0.054","","","","0.198","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115406","5.4003","0.0004","18.3885","0.0014","8.9518","0.0007","90","","90.707","0.001","90","","888.88","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Valeri V. Mossine; Charles L. Barnes; Milton S. Feather; Thomas P. Mawhinney","Acyclic Tautomers in Crystalline Carbohydrates: The Keto Forms of 1-Deoxy-1-carboxymethylamino-d-2-pentuloses (Pentulose-glycines)","Journal of the American Chemical Society","2002","124","","15178","15179","10.1021/ja0282184","","","0.71073","MoKα","","0.0451","0.0369","","","0.0855","0.09","","","","","","1.043","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115408","8.3625","0.001","32.698","0.004","8.8068","0.0011","90","","107.747","0.002","90","","2293.5","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Co2 O9 Si -","- C18 H20 Co2 O9 Si -","- C72 H80 Co8 O36 Si4 -","4","2","","Scott E. Denmark; Shyh-Ming Yang","Intramolecular Silicon-Assisted Cross-Coupling: Total Synthesis of (+)-Brasilenyne","Journal of the American Chemical Society","2002","124","","15196","15197","10.1021/ja028936q","","","0.71073","MoKα","","0.0752","0.0452","","","0.0609","0.0665","","","","","","0.932","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115418","8.4817","0.0011","11.1925","0.0015","16.342","0.003","90","","98.482","0.012","90","","1534.4","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H38 F2 N2 Si3 -","- C32 H38 F2 N2 Si3 -","- C64 H76 F4 N4 Si6 -","2","1","","Eike Gellermann; Uwe Klingebiel; Mathias Noltemeyer; Stefan Schmatz","Silyl Group Insertion into the N-N Bond: Experimental and Quantum Chemical Results","Journal of the American Chemical Society","2001","123","","378","382","10.1021/ja001173r","","","0.71073","MoKα","","0.0601","0.0497","","0.1288","0.1166","","","","1.035","1.026","1.026","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115422","7.1894","0.0011","12.3968","0.0019","7.6376","0.0011","90","","93.202","0.003","90","","679.64","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","aplydactone","(1R,3S,6S,8R,11S)-8-bromo-3,7,7-trimethyltetracyclo[4.4.2.01,6.03,11] dodecan-4-one","","- C15 H21 Br O -","- C15 H21 Br O -","- C30 H42 Br2 O2 -","2","1","","Sergey N. Fedorov; Oleg S. Radchenko; Larisa K. Shubina; Anatoly I. Kalinovsky; Andrey V. Gerasimenko; Dmitry Y. Popov; Valentin A. Stonik","Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement","Journal of the American Chemical Society","2001","123","","504","505","10.1021/ja003254t","","","0.71073","MoKα","","0.0288","0.0273","","","0.0665","0.067","","","","","","1.012","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115460","10.552","0.006","18.024","0.011","13.083","0.008","90","","98.296","0.012","90","","2462","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 34","","","- C23 H40 O6 -","- C23 H40 O6 -","- C92 H160 O24 -","4","2","","Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane","Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase","Journal of the American Chemical Society","2001","123","","2495","2502","10.1021/ja004139l","","","0.71073","MoKα","","0.1527","0.0829","","","0.1929","0.2361","","","","","","1.009","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115467","9.0758","0.0002","20.0931","0.0005","9.8574","0.0002","90","","109.627","0.002","90","","1693.16","0.07","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 F3 O3 Si -","- C38 H41 F3 O3 Si -","- C76 H82 F6 O6 Si2 -","2","1","","Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao","Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums","Journal of the American Chemical Society","2001","123","","3143","3144","10.1021/ja003749i","","","0.7107","MoKα","","0.0514","0.0514","","","0.0723","0.072","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115493","14.2648","0.0011","18.1252","0.0014","16.7048","0.0013","90","","98.612","0.002","90","","4270.4","0.6","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H92 Cl6 N4 O2 Ru -","- C98 H81 Cl7 N4 O2 Ru -","- C196 H162 Cl14 N8 O4 Ru2 -","2","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.0804","0.0614","","","0.1518","0.163","","","","","","0.96","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115540","14.101","0.002","8.036","0.002","15.75","0.01","90","","114.144","0.004","90","","1628.6","1.1","213.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H52 O6 -","- C36 H55 O6 -","- C72 H110 O12 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1013","","","","0.2499","","","","","","1.403","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115541","14.02","0.01","7.933","0.002","15.804","0.004","90","","109.07","0.05","90","","1661.3","1.4","209.8","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H54 O5 -","- C37 H54 O5 -","- C74 H108 O10 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0","","","","0.1896","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115548","11.5479","0.0014","5.9499","0.0007","14.0742","0.0011","90","","110.759","0.007","90","","904.24","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C32 H56 N4 O10 -","2","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0631","0.0574","","0.1426","0.1364","","","","1.152","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115557","6.1313","0.0011","21.369","0.004","6.79","0.0012","90","","98.496","0.004","90","","879.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","11b","(N-(dimethylamino)formimidato-N,O) (1-((1,1-dimethyl-2-formylhydrazonium)methyl-C,O)methylsilicon(IV) chloride","","- C9 H20 Cl4 N4 O2 Si -","- C9 H20 Cl4 N4 O2 Si -","- C18 H40 Cl8 N8 O4 Si2 -","2","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0904","0.0863","","","0.2323","0.2364","","","","","","1.074","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115564","4.4742","0.0002","6.3259","0.0003","10.0957","0.0003","90","","96.167","0.001","90","","284.09","0.02","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H5 Au Cl N -","- C3 H5 Au Cl N -","- C6 H10 Au2 Cl2 N2 -","2","1","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.0582","0.0538","","","0.1355","0.1383","","","","","","1.042","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115592","14.6821","0.0002","38.1937","0.0007","15.6385","0.0002","90","","117.862","0.001","90","","7752.9","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H163 Cu10 La2 N20 O79 -","- C96 H108 Cu10 La2 N20 O42 -","- C192 H216 Cu20 La4 N40 O84 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.115","0.109","","","0.2968","0.3009","","","","","","1.055","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115593","15.098","0.003","28.257","0.006","16.887","0.003","90","","102.185","0.003","90","","7042","2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C107 H128 Cu10 Gd2 N20 O43 -","- C107 H111 Cu10 Gd2 N20 O42.32 -","- C214 H222 Cu20 Gd4 N40 O84.64 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.082","0.061","","","0.1566","0.166","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115607","9.097","0.0004","13.953","0.0006","12.761","0.0006","90","","109.996","0.003","90","","1522.11","0.12","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C64 H100 N4 Pt2 -","2","1","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0459","0.0366","","","0.0785","0.0816","","","","","","1.091","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115608","10.296","0.001","20.146","0.002","10.392","0.001","90","","101.86","0.01","90","","2109.5","0.4","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.032","","","0.037","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115609","10.833","0.002","19.344","0.007","20.46","0.003","90","","104.64","0.01","90","","4148.3","1.8","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.031","","","0.038","","","","","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115613","9.1018","0.0007","9.7593","0.0007","16.2","0.001","90","","102.135","0.001","90","","1406.85","0.17","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","00095","","","- C22 H28 F6 Fe N4 O6 S2 -","- C22 H28 F6 Fe N4 O6 S2 -","- C44 H56 F12 Fe2 N8 O12 S4 -","2","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0319","0.0274","","","0.0606","0.0625","","","","","","1.032","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115620","5.9675","0.0005","17.107","0.0013","9.1531","0.0007","90","","104.289","0.002","90","","905.5","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 F3 -","- C21 H19 F3 -","- C42 H38 F6 -","2","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0818","0.0635","","","0.1966","0.2127","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115635","11.146","0.003","14.417","0.002","11.537","0.003","90","","103.18","0.02","90","","1805.1","0.7","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Fe N2 O3 P -","- C82 H86 Fe2 N4 O6 P2 -","- C82 H86 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.053","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115636","11.69","0.001","11.872","0.002","13.39","0.001","90","","92.229","0.008","90","","1856.9","0.4","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H41 Fe N2 O3 P -","- C88 H82 Fe2 N4 O6 P2 -","- C88 H82 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.042","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115735","7.407","0.004","12.392","0.003","9.432","0.006","90","","102.58","0.02","90","","845","0.7","200","2","200","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","José Barluenga; Angel L. Suárez-Sobrino; Miguel Tomás; Santiago García-Granda; Rafael Santiago-García","Diastereo- and Enantioselective Cyclopropanation with Chromium Fischer Carbene Complexes: Alkenyl Oxazolines as Useful Achiral and Chiral Substrates","Journal of the American Chemical Society","2001","123","","10494","10501","10.1021/ja010719m","","","0.71073","MoKα","","0.1009","0.038","","","0.082","0.1015","","","","","","1.033","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115768","11.3984","0.0001","21.21","0.0004","12.5746","0.0002","90","","100.347","0.001","90","","2990.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H79 Cl Co N6 O15.5 -","- C57 H70 Cl Co N6 O15.5 -","- C114 H140 Cl2 Co2 N12 O31 -","2","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1217","0.0975","","","0.2566","0.2826","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115782","7.1459","0.001","4.5094","0.0007","17.904","0.003","90","","92.89","0.005","90","","576.2","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0695","0.0519","","","0.1186","0.1268","","","","","","1.046","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115846","12.219","0.003","10.395","0.002","12.94","0.005","90","","109.26","0.02","90","","1551.6","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N3 O6 P -","- C28 H40 N3 O6 P -","- C56 H80 N6 O12 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1043","0.0592","","","0.1464","0.1898","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115848","14.647","0.003","10.056","0.002","19.454","0.003","90","","96.998","0.01","90","","2844","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N O6 P -","- C28 H40 N O6 P -","- C112 H160 N4 O24 P4 -","4","2","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0739","0.0434","","","0.1104","0.1392","","","","","","1.07","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115917","9.641","0.001","10.608","0.001","10.587","0.001","90","","111.98","0.01","90","","1004.05","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H33 N2 P Si2 -","- C14 H33 N2 P Si2 -","- C28 H66 N4 P2 Si4 -","2","1","","Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Andreas Savin; Guy Bertrand","On the Electronic Structure of (Phosphino)(silyl)carbenes: Single-Crystal X-ray Diffraction and ELF Analyses","Journal of the American Chemical Society","2000","122","","998","999","10.1021/ja9939542","","","0.71073","MoKα","","0.063","0.0354","","","0.074","0.083","","","","","","0.935","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115940","10.6091","0.0003","16.4474","0.0007","10.6701","0.0004","90","","116.877","0.002","90","","1660.73","0.11","203.2","","203.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Li N O3 Si -","- C36 H44 Li N O3 Si -","- C72 H88 Li2 N2 O6 Si2 -","2","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","0.7107","MoKα","","","0.0556","","","0.0802","","","","","1.209","1.209","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115949","10.013","0.005","19.02","0.01","15.34","0.01","90","","106.32","0.03","90","","2804","3","135.2","","135.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H70 Ga Li O10 -","- C65 H68 Ga Li O10 -","- C130 H136 Ga2 Li2 O20 -","2","1","","Shigeki Matsunaga; Jagattaran Das; Jochen Roels; Erasmus M. Vogl; Noriyoshi Yamamoto; Takehiko Iida; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic Multifunctional Complexes","Journal of the American Chemical Society","2000","122","","2252","2260","10.1021/ja993650f","","","0.7107","MoKα","","0.0665","0.0665","","","0.0771","0.077","","","","","","2.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115998","11.986","0.001","11.9379","0.0005","19.3898","0.0007","90","","98.802","0.001","90","","2741.8","0.3","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O6 -","- C31 H40 O6 -","- C124 H160 O24 -","4","2","","Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh","Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes","Journal of the American Chemical Society","2000","122","","4310","4319","10.1021/ja9942890","","","0.7107","MoKα","","0.074","0.0536","","","0.0533","0.0545","","","","","","1.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115999","7.912","0.001","16.578","0.003","7.7275","0.0002","90","","120.253","0.0006","90","","875.54","0.19","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh","Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes","Journal of the American Chemical Society","2000","122","","4310","4319","10.1021/ja9942890","","","0.7107","MoKα","","0.0504","0.0464","","","0.0625","0.063","","","","","","2.425","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116025","9.4192","0.0001","10.1201","0.0001","11.8636","0.0003","90","","106.668","0.002","90","","1083.36","0.03","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0452","0.0424","","","0.1127","0.1144","","","","","","1.086","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116026","9.4494","0.0009","9.702","0.001","13.061","0.001","90","","110.371","0.002","90","","1122.52","0.18","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N O3 -","- C26 H34 N O3 -","- C52 H68 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0463","0.0426","","","0.1096","0.1137","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116030","10.0281","0.0004","11.4783","0.0005","16.8217","0.0007","90","","95.653","0.01","90","","1926.85","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0558","0.0414","","","0.0925","0.0983","","","","","","1.036","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116032","10.23","0.0003","9.0097","0.0003","12.3888","0.0003","90","","108.482","0.001","90","","1082.97","0.06","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0445","0.0327","","","0.0714","0.0746","","","","","","1.003","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116034","8.4524","0.0007","8.0786","0.0007","13.8705","0.0012","90","","98.816","0.002","90","","935.94","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C42 H54 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0412","0.0403","","","0.1094","0.1107","","","","","","1.021","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116035","10.555","0.002","10.119","0.002","26.478","0.004","90","","99.201","0.002","90","","2791.6","0.9","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C132 H138 N6 O6 S6 -","6","3","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0991","0.0918","","","0.2415","0.2466","","","","","","1.073","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116037","5.2688","0.0003","21.7645","0.0012","9.7497","0.0006","90","","93.748","0.001","90","","1115.63","0.11","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O S -","- C26 H24 Cl N O S -","- C52 H48 Cl2 N2 O2 S2 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0369","0.0318","","","0.0796","0.0823","","","","","","1.034","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116058","12.5434","0.001","18.0749","0.0014","14.1236","0.0011","90","","109.767","0.001","90","","3013.4","0.4","233","2","233","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30.5 H32.5 Cl F3 N O5 Pt S -","- C28.5 H32.5 Cl F3 N3 O5 Pt S -","- C114 H130 Cl4 F12 N12 O20 Pt4 S4 -","4","2","","James A. Johnson; Dalibor Sames","C-H Bond Activation of Hydrocarbon Segments in Complex Organic Molecules: Total Synthesis of the Antimitotic Rhazinilam","Journal of the American Chemical Society","2000","122","","6321","6322","10.1021/ja0003223","","","0.71073","MoKα","","0.0397","0.0374","","","0.1023","0.105","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116068","7.666","0.002","17.2","0.002","8.955","0.002","90","","109.84","0.02","90","","1110.7","0.4","296.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 B Br O2 P -","- C20 H37 B Br O2 P -","- C40 H74 B2 Br2 O4 P2 -","2","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0955","","","","0.1288","","","","","","1.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116069","7.611","0.002","17.309","0.002","8.95","0.002","90","","110.24","0.01","90","","1106.3","0.4","296.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H37 B N O2 P -","- C21 H37 B N O2 P -","- C42 H74 B2 N2 O4 P2 -","2","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0545","","","","0.0847","","","","","","1.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116127","11.3633","0.0014","12.5129","0.0013","11.8372","0.0014","90","","91.155","0.015","90","","1682.8","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Anilinium Bis[benzilato(2-)-O1,O2]hydroxosilicate-Tetrahydrofuran","","- C38 H37 N O8 Si -","- C38 H37 N O8 Si -","- C76 H74 N2 O16 Si2 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0519","0.0413","","","0.0991","0.1034","","","","","","0.998","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116161","13.8276","0.0007","10.7023","0.0005","14.6248","0.0007","90","","112.289","0.001","90","","2002.57","0.17","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H40 Cl2 Cu F12 N2 O6 Sb2 -","- C25 H42 Cl2 Cu F12 N2 O6 Sb2 -","- C50 H84 Cl4 Cu2 F24 N4 O12 Sb4 -","2","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.1357","0.0665","","","0.1681","0.2422","","","","","","0.976","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116183","19.106","0.005","8.019","0.002","11.986","0.003","90","","90.37","0.02","90","","1836.3","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 -","- C11 H9.5 N0.5 O -","- C44 H38 N2 O4 -","4","2","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.044","","","0.045","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116192","8.355","0.002","17.337","0.004","11.351","0.003","90","","96.55","0.02","90","","1633.5","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Co2 O6 P S -","- C32 H37 Co2 O6 P S -","- C64 H74 Co4 O12 P2 S2 -","2","1","","Xavier Verdaguer; Albert Moyano; Miquel A. Pericàs; Antoni Riera; Miguel Angel Maestro; José Mahía","A New Chiral Bidentate (P,S) Ligand for the Asymmetric Intermolecular Pauson-Khand Reaction","Journal of the American Chemical Society","2000","122","","10242","10243","10.1021/ja001839h","","","0.71073","MoKα","","0.0555","0.0396","","","0.0813","0.0895","","","","","","1.067","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116226","9.534","0.003","10.626","0.002","15.079","0.003","90","","91.75","0.02","90","","1526.9","0.6","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 Cd N2 S7 -","- C23 H34 Cd N2 S7 -","- C46 H68 Cd2 N4 S14 -","2","1","","Jie Dai; Guo-Qing Bian; Xin Wang; Qing-Feng Xu; Min-Yan Zhou; Megumu Munakata; Masahiko Maekawa; Ming-Hong Tong; Zhen-Rong Sun; He-Ping Zeng","A New Method to Synthesize Unsymmetrical Dithiolene Metal Complexes of 1,3-Dithiole-2-thione-4,5-dithiolate for Third-Order Nonlinear Optical Applications","Journal of the American Chemical Society","2000","122","","11007","11008","10.1021/ja001976e","","","0.7107","MoKα","","0.0384","0.0292","","","0.0827","0.0879","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116232","18.998","0.003","12.01","0.003","20.402","0.003","90","","102.899","0.009","90","","4537.6","1.5","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 Li4 Na4 O8 -","- C32 H72 Li4 Na4 O8 -","- C128 H288 Li16 Na16 O32 -","4","2","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0585","0.0376","","","0.0799","0.0871","","","","","","0.976","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116242","11.574","0.003","19.732","0.004","11.853","0.003","90","","106.583","0.001","90","","2594.4","1.1","10","2","10","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.5608","AgKα","","0.0679","0.0608","","","0.1465","0.1488","","","","","","1.362","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116243","11.573","0.002","19.725","0.004","11.847","0.002","90","","106.469","0.009","90","","2593.4","0.8","35","2","35","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0474","0.0348","","","0.0735","0.0797","","","","","","1.067","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116244","11.588","0.003","19.709","0.004","11.875","0.003","90","","106.96","0.001","90","","2594.2","1.1","60","2","60","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.5608","AgKα","","0.0834","0.0685","","","0.1618","0.1695","","","","","","1.218","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116245","11.6025","0.001","19.748","0.002","11.914","0.001","90","","106.826","0.002","90","","2612.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0459","0.0449","","","0.1063","0.1071","","","","","","1.432","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116246","11.6077","0.001","19.764","0.002","11.9384","0.001","90","","106.69","0.002","90","","2623.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0448","0.0433","","","0.1168","0.1186","","","","","","1.111","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116247","11.6346","0.001","19.807","0.002","11.8067","0.001","90","","106.903","0.002","90","","2603.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0703","0.0581","","","0.1316","0.1406","","","","","","1.251","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116248","11.628","0.001","19.843","0.002","11.843","0.001","90","","106.886","0.002","90","","2614.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0495","0.0475","","","0.1159","0.1179","","","","","","1.327","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116249","11.667","0.001","19.918","0.002","11.981","0.001","90","","106.786","0.002","90","","2665.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0893","0.0577","","","0.1127","0.123","","","","","","1.154","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116250","11.697","0.001","20.018","0.002","11.978","0.001","90","","106.903","0.002","90","","2683.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0576","0.052","","","0.1322","0.1391","","","","","","1.153","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116251","11.765","0.001","20.159","0.002","12.014","0.001","90","","106.88","0.002","90","","2726.6","0.4","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.1294","0.0579","","","0.1061","0.1205","","","","","","1.166","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116252","11.824","0.002","20.271","0.004","12.011","0.002","90","","106.983","0.004","90","","2753.3","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.063","0.0544","","","0.1065","0.1123","","","","","","1.34","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116271","8.812","0.003","8.266","0.002","9.497","0.008","90","","103.47","0.04","90","","672.7","0.6","120","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","1,4-dimethylbenzo[c]phenanthrene","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","","Mahesh K. Lakshman; Panna L. Kole; Surendrakumar Chaturvedi; Joseph H. Saugier; Herman J. C. Yeh; Jenny P. Glusker; H. L. Carrell; Amy K. Katz; Carol E. Afshar; Won-Mohaiza Dashwood; Gary Kenniston; William M. Baird","Methyl Group-Induced Helicity in 1,4-Dimethylbenzo[c]phenanthrene and Its Metabolites: Synthesis, Physical, and Biological Properties","Journal of the American Chemical Society","2000","122","","12629","12636","10.1021/ja002072w","","","","","","0.066","0.06","","0.127","0.126","","0.094","","2.556","2.577","2.577","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116272","10.9593","0.0002","21.115","0.0004","12.7534","0.0001","90","","99.296","0.001","90","","2912.45","0.08","188","2","188","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Fe2(BPEAN)(OH)(OTf)](OTf)2 compound 1","","","- C44 H47 Cl6 F9 Fe2 N8 O10 S3 -","- C44 H40 Cl6 F9 Fe2 N8 O10 S3 -","- C88 H80 Cl12 F18 Fe4 N16 O20 S6 -","2","1","","Chuan He; Amy M. Barrios; Dongwhan Lee; Jane Kuzelka; Roman M. Davydov; Stephen J. Lippard","Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands as Models for Hemerythrin","Journal of the American Chemical Society","2000","122","","12683","12690","10.1021/ja0026861","","","0.71073","MoKα","","0.0633","0.0468","","","0.1162","0.1243","","","","","","0.876","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116378","15.489","0.007","11.983","0.007","18.102","0.013","90","","91.23","0.05","90","","3359","3","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Cu F6 N4 P -","- C34 H36 Cu F6 N4 P -","- C136 H144 Cu4 F24 N16 P4 -","4","2","","Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin","A Highly Emissive Heteroleptic Copper(I) Bis(phenanthroline) Complex: [Cu(dbp)(dmp)]+ (dbp = 2,9-Di-tert-butyl-1,10-phenanthroline; dmp = 2,9-Dimethyl-1,10-phenanthroline)","Journal of the American Chemical Society","1999","121","","4292","4293","10.1021/ja9901415","","","0.71073","MoKα","","0.0877","0.0648","","0.1901","0.1662","","","","1.044","1.042","1.042","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116393","15.385","0.003","8.027","0.002","12.471","0.003","90","","96.34","0.02","90","","1530.7","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O9 -","- C28 H40 N2 O9 -","- C56 H80 N4 O18 -","2","1","","Hoeon Kim; Lothar Esser; M. Bilayet Hossain; Di Xia; Chang-An Yu; Josep Rizo; Dick van der Helm; Johann Deisenhofer","Structure of Antimycin A1, a Specific Electron Transfer Inhibitor of Ubiquinol-Cytochrome c Oxidoreductase","Journal of the American Chemical Society","1999","121","","4902","4903","10.1021/ja990190h","","","1.54178","CuKα","","0.1211","0.0821","","0.2325","0.1983","","","","1.066","1.181","1.181","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116430","8.607","0.003","9.955","0.004","11.415","0.004","90","","111.09","0.04","90","","912.6","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H25 B F4 O6 Pt -","- C12 H25 B F4 O6 Pt -","- C24 H50 B2 F8 O12 Pt2 -","2","1","","Henrik Junicke; Clemens Bruhn; Ralph Kluge; Anthony S. Serianni; Dirk Steinborn","Novel Platinum(IV)-Carbohydrate Complexes: Metal Ion Coordination Behavior of Monosaccharides in Organic Solvents","Journal of the American Chemical Society","1999","121","","6232","6241","10.1021/ja9902726","","","0.71073","MoKα","","0.0582","0.056","","0.1371","0.1353","","","","1.091","1.109","1.109","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116461","6.34","0.0005","12.796","0.001","9.4006","0.0006","90","","101.502","0.006","90","","747.32","0.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0512","0.0399","","0.1047","0.0978","","","","1.047","1.067","1.067","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116584","8.1477","0.0007","13.8943","0.0012","10.1659","0.0009","90","","109.454","0.01","90","","1085.14","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","dihydride-triisopropylphosphine-1,3,5-trimethylbenzene-iridium(III) tetrafluoro borate","","- C18 H35 B F4 Ir P -","- C18 H35 B F4 Ir P -","- C36 H70 B2 F8 Ir2 P2 -","2","1","","Francisco Torres; Eduardo Sola; Marta Martín; José A. López; Fernando J. Lahoz; Luis A. Oro","C-H Bond Activations by New Labile η6-Arene Complexes of Iridium","Journal of the American Chemical Society","1999","121","","10632","10633","10.1021/ja9923890","","","0.71073","MoKα","","0.0367","0.0345","","","0.0816","0.0833","","","","","","1.079","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116588","8.1179","0.0004","23.51","0.001","9.4519","0.0005","90","","92.719","0.001","90","","1801.88","0.15","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","2","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0575","0.0405","","","0.0887","0.0953","","","","","","1.009","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116590","12.3563","0.0002","5.3759","0.0003","13.1034","0.0007","90","","111.416","0.003","90","","810.31","0.07","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17.001 H18 O6 -","- C34.002 H36 O12 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0666","0.0411","","","0.093","0.0986","","","","","","1.006","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116593","11.715","0.003","4.965","0.001","12.921","0.004","90","","96.798","0.005","90","","746.3","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1135","0.0736","","","0.1834","0.212","","","","","","1.031","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116594","8.1709","0.0004","9.6189","0.0004","8.9825","0.0001","90","","96.239","0.002","90","","701.8","0.05","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0442","0.0371","","","0.09","0.0921","","","","","","1.03","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116690","6.961","0.004","10.993","0.003","10.765","0.004","90","","103.04","0.04","90","","802.5","0.6","293.2","","293.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 S -","- C17 H20 O4 S -","- C34 H40 O8 S2 -","2","1","","Jian Zhang; Shinichi Saito; Toru Koizumi","Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome","Journal of the American Chemical Society","1998","120","","1631","1632","10.1021/ja973039l","","","0.7107","MoKα","","","0.0408","","","0.0423","","","","","0.902","0.902","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116705","8.1278","0.0007","29.447","0.006","10.601","0.004","90","","108.61","0.03","90","","2404.6","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Me5CpMo)2Cl2(B2H6)","","- C20 H35.19 B1.73 Cl2.27 Mo2 -","- C20 H35.16 B1.72 Cl2.28 Mo2 -","- C80 H140.64 B6.88 Cl9.12 Mo8 -","4","2","","Simon Aldridge; Maoyu Shang; Thomas P. Fehlner","Synthesis of Novel Molybdaboranes from (η5-C5R5)MoCln Precursors (R = H, Me; n= 1, 2, 4)","Journal of the American Chemical Society","1998","120","","2586","2598","10.1021/ja973720n","","","0.71073","MoKα","","0.0982","0.0683","","0.1745","0.1466","","","","1.094","1.081","1.081","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116744","8.058","0.001","8.3665","0.0018","8.955","0.0018","90","","113.141","0.013","90","","555.15","0.19","294","","294","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C24 H28 N4 O4 -","2","1","","Feng He; Bruce M. Foxman; Barry B. Snider","Total Syntheses of (-)-Asperlicin and (-)-Asperlicin C","Journal of the American Chemical Society","1998","120","","6417","6418","10.1021/ja9809408","","","1.54178","CuKα","","","0.0358","","","0.0414","","","","","1.0015","1.0015","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116746","10.6052","0.0008","9.7625","0.0008","10.2093","0.0012","90","","95.762","0.011","90","","1051.66","0.17","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,3-bis(dimethylamino)propan-2-oxy-N,O)-4,5-diphenyl-1,3,2-dioxaborolane","","- C21 H29 B N2 O3 -","- C21 H29 B N2 O3 -","- C42 H58 B2 N4 O6 -","2","1","","Jurriaan Huskens; Richard Goddard; Manfred T. Reetz","Direct Observation of Stereotopic Group Recognition in Solution and Solid State","Journal of the American Chemical Society","1998","120","","6617","6618","10.1021/ja980215x","","","0.71069","MoKα","","0.082","0.0449","","","0.1132","0.1341","","","","","","1.035","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116764","11.905","0.002","7.362","0.001","16.112","0.003","90","","95.579","0.009","90","","1405.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Methyl-3α,5α-3,3',4',5'-tetrahydrobenzo[2,3]cholest-2-en-1-one","","- C32 H52 O -","- C32 H52 O -","- C64 H104 O2 -","2","1","","Jadwiga Frelek; Wojciech J. Szczepek; Hans Peter Weiss; Guido J. Reiss; Walter Frank; Joachim Brechtel; Bernd Schultheis; Hans-Georg Kuball","Chiroptical Properties of the Cisoid Enone Chromophore","Journal of the American Chemical Society","1998","120","","7010","7019","10.1021/ja973076c","","","1.54184","CuKα","","0.1278","0.0534","","0.066","0.0555","","","","1.322","1.633","1.633","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116780","12.9539","0.0001","22.6358","0.0001","13.4329","0.0002","90","","117.43","","90","","3496","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H80 Cl10 Co N6 O11.5 -","- C61 H79 Cl10 Co N6 O11.5 -","- C122 H158 Cl20 Co2 N12 O23 -","2","1","","Jean-Pierre Simonato; Jacques Pécaut; Jean-Claude Marchon","Kinetic and Structural Factors Governing Chiral Recognition in Cobalt(III) Chiroporphyrin-Amino Alcohol Complexes","Journal of the American Chemical Society","1998","120","","7363","7364","10.1021/ja980644v","","","0.71073","MoKα","","0.0494","0.0446","","0.1233","0.1187","","","","1.017","1.022","1.022","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116788","16.752","0.003","7.91","0.002","12.222","0.002","90","","114.28","0.03","90","","1476.3","0.6","293","2","293","2","","","","","","","T. Polonski","3","P 1 21 1","P 2yb","4","cholic acid propiophenone clathrate","3αlpha,7αlpha,12αlpha-trihydroxy-5βeta-cholan-24-oic acid propiophenone clathrate","","- C33 H50 O6 -","- C33 H50 O6 -","- C66 H100 O12 -","2","1","","Maria Gdaniec; Tadeusz Połoński","Generation of Chirality in Guest Aromatic Ketones Included in the Crystals of Steroidal Bile Acids","Journal of the American Chemical Society","1998","120","","7353","7354","10.1021/ja9807441","","","0.71073","MoKα","","0.0522","0.0383","","0.1114","0.1022","","","","1.057","1.058","1.058","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116789","16.668","0.003","8.15","0.004","12.064","0.002","90","","113.24","0.02","90","","1505.9","0.9","293","2","293","2","","","","","","","T. Polonski","4","P 1 21 1","P 2yb","4","cholic acid 4-fluoropropiophenone clathrate","3αlpha,7αlpha,12αlpha-trihydroxy-5βeta-cholan-24-oic acid 4-fluoropropiophenone clathrate","","- C33 H49 F O6 -","- C33 H49 F O6 -","- C66 H98 F2 O12 -","2","1","","Maria Gdaniec; Tadeusz Połoński","Generation of Chirality in Guest Aromatic Ketones Included in the Crystals of Steroidal Bile Acids","Journal of the American Chemical Society","1998","120","","7353","7354","10.1021/ja9807441","","","0.71073","MoKα","","0.1205","0.0461","","0.1356","0.1016","","","","1.055","1.114","1.114","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116794","12.7861","0.0005","8.2071","0.0003","19.3197","0.0009","90","","91.683","0.004","90","","2026.47","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","2","","James D. White; Peter Hrnciar; Alexandre F. T. Yokochi","Tandem Ring-Closing Metathesis Transannular Cyclization as a Route to Hydroxylated Pyrrolizidines. Asymmetric Synthesis of (+)-Australine","Journal of the American Chemical Society","1998","120","","7359","7360","10.1021/ja9811400","","","1.54178","CuKα","","0.0475","0.0418","","","0.1061","0.1116","","","","","","1.051","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116809","10.374","0.002","7.784","0.005","13.1","0.004","90","","103.47","0.02","90","","1028.7","0.8","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H24 Cl2 N6 O10 Pt2 -","- C8 H24 Cl2 N6 O10 Pt2 -","- C16 H48 Cl4 N12 O20 Pt4 -","2","1","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","1.54178","CuKα","","0.0463","0.04","","0.0364","0.0355","","","","","1.75","1.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4116817","8.62","0.01","9.88","0.01","15.31","0.01","90","","96.33","0.01","90","","1296","2","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C28 H46 N2 O2 -","- C28 H46 N2 O2 -","- C56 H92 N4 O4 -","2","1","","Jack E. Baldwin; Artem Melman; Victor Lee; Catherine R. Firkin; Roger C. Whitehead","Biomimetic Synthesis of (-)-Xestospongin A, (+)-Xestospongin C, (+)-Araguspongine B and the Correction of Their Absolute Configurations","Journal of the American Chemical Society","1998","120","","8559","8560","10.1021/ja980765v","","","1.5418","CuKα","","","0.0311","","","0.0393","","","","","1.0308","1.0308","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116830","14.337","0.007","6.477","0.003","14.386","0.006","90","","113.41","0.07","90","","1225.9","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","p-bromophenethylene salt of 2-(3-biphenyl)-4-methyl-valeric acid","","","- C26 H30 Br N O2 -","- C26 H30 Br N O2 -","- C52 H60 Br2 N2 O4 -","2","1","","Renee L. DesJarlais; Dennis S. Yamashita; Hye-Ja Oh; Irene N. Uzinskas; Karl F. Erhard; Andrew C. Allen; R. Curtis Haltiwanger; Baoguang Zhao; Ward W. Smith; Sherin S. Abdel-Meguid; Karla D'Alessio; Cheryl A. Janson; Michael S. McQueney; Thaddeus A. Tomaszek; Mark A. Levy; Daniel F. Veber","Use of X-ray Co-crystal Structures and Molecular Modeling To Design Potent and Selective Non-peptide Inhibitors of Cathepsin K","Journal of the American Chemical Society","1998","120","","9114","9115","10.1021/ja981171v","","","0.71073","MoKα","","0.0799","0.0641","","0.1606","0.1436","","","","1.077","1.062","1.062","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116833","8.629","0.002","10.343","0.002","14.836","0.003","90","","104.35","0.02","90","","1282.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 N O4 S -","- C27 H37 N O4 S -","- C54 H74 N2 O8 S2 -","2","1","","Miles P. Smith; Kenneth M. Johnson; Mei Zhang; Judith L. Flippen-Anderson; Alan P. Kozikowski","Tuning the Selectivity of Monoamine Transporter Inhibitors by the Stereochemistry of the Nitrogen Lone Pair","Journal of the American Chemical Society","1998","120","","9072","9073","10.1021/ja981423s","","","1.54178","CuKα","","0.0857","0.0696","","0.211","0.1902","","","","1.041","1.064","1.064","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116836","4.947","0.002","21.204","0.004","10.671","0.002","90","","99.33","0.03","90","","1104.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Z-S-Pro-(2S,3S)-2,3-methanophenylalanine-NHMe","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C48 H54 N6 O8 -","2","1","","A. I. Jiménez; C. Cativiela; A. Aubry; M. Marraud","β-Turn Preferences Induced by 2,3-Methanophenylalanine Chirality","Journal of the American Chemical Society","1998","120","","9452","9459","10.1021/ja9807439","","","1.5418","CuKα","","0.0599","0.0483","","0.1384","0.1202","","","","1.082","1.042","1.042","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116874","8.6396","0.0002","7.4269","0.0002","16.2254","0.0003","90","","99.499","0.001","90","","1026.83","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C42 H62 Cl2 Hg2 O10 -","2","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0333","0.0304","","0.0778","0.0759","","","","1.094","1.113","1.113","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116892","10.562","0.002","7.291","0.001","15.259","0.003","90","","106.81","0.03","90","","1124.8","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H21 F3 N10 O5 Pt S -","- C13 H16 F3 N10 O5 Pt S -","- C26 H32 F6 N20 O10 Pt2 S2 -","2","1","","Roland K. O. Sigel; Eva Freisinger; Susanne Metzger; Bernhard Lippert","Metalated Nucleobase Quartets: Dimerization of a Metal-Modified Guanine, Cytosine Pair of trans-(NH3)2PtII and Formation of CH...N Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","12000","12007","10.1021/ja981637+","","","0.71073","MoKα","","0.0864","0.0421","","0.106","0.093","","","","0.953","1.086","1.086","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4117012","13.6105","0.0013","6.085","0.0006","20.975","0.002","90","","96.585","0.001","90","","1725.7","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N4 O16 -","- C33 H36 N4 O16 -","- C66 H72 N8 O32 -","2","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1305","0.0896","","0.1661","0.1418","","","","1.622","1.673","1.673","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117088","15.065","0.002","13.986","0.001","17.565","0.003","90","","101.59","0.007","90","","3625.5","0.8","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75.71 H66.43 Cl5.43 N9 O16 Zn -","- C75.714 H66.428 Cl5.428 N9 O16 Zn -","- C151.428 H132.856 Cl10.856 N18 O32 Zn2 -","2","1","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0665","0.0551","","0.1385","0.1299","","","","1.045","1.053","1.053","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117113","12.271","0.002","9.6","0.002","18.75","0.004","90","","103.56","0.02","90","","2147.2","0.8","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ala DPDPE","Tyr-cyclo[D-Pen-D-Ala-Phe-D-Pen]","","- C31 H61 N5 O17 S2 -","- C31 H40 N5 O16.897 S2 -","- C62 H80 N10 O33.794 S4 -","2","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1241","0.09","","0.2442","0.1978","","","","1.109","1.088","1.088","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117115","10.941","0.009","13.861","0.01","13.141","0.008","90","","99.89","0.05","90","","1963","2","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H47 N O6 -","- C47 H35 N O6 -","- C94 H70 N2 O12 -","2","1","","Yasushi Yokoyama; Soichi Uchida; Yayoi Yokoyama; Yoko Sugawara; Yukio Kurita","Diastereoselective Photochromism of an (R)-Binaphthol-Condensed Indolylfulgide","Journal of the American Chemical Society","1996","118","","3100","3107","10.1021/ja9523045","","","0.71069","MoKalpha","","0.0677","0.0494","","0.1634","0.1459","","","","1.018","1.04","1.04","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117118","9.64","0.002","9.104","0.002","12.935","0.004","90","","103.27","","90","","1104.9","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C40 H60 Br2 N2 O12 -","2","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1197","0.0486","","0.0918","0.0733","","","","1.01","1.137","1.137","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117126","19.838","0.006","6.356","0.002","7.032","0.002","90","0","90.137","0.025","90","0","886.7","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-t-butylbenzoate 1a-9d","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.1095","","","0.1221","","","","","27.203","27.203","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117136","13.326","0.004","6.172","0.002","11.885","0.003","90","0","114.9","0.02","90","0","886.7","0.5","293","","","","","","","","","","(R)-1-phenylethylammonium (Z)-3-phenyl-2-pentenoate (R)-1a-8a","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H21.4 N O2 -","- C38 H42.8 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0641","","","0.0575","","","","","9.7643","9.7643","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117162","7.381","0.007","21.298","0.012","8.414","0.01","90","","108.92","0.08","90","","1251","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-4-[4-amino-(N-6-formyl-N-6-beta-ribofuranosyl)pyrimidin-5-yl]-5-methyl-2'- deoxycytidine","","- C20 H31 N7 O11 -","- C20 H31 N7 O11 -","- C40 H62 N14 O22 -","2","1","","Carole Saintomé; Pascale Clivio; Alain Favre; Jean-Louis Fourrey; Claude Riche","RNA Photolabeling Mechanistic Studies: X-ray Crystal Structure of the Photoproduct Formed between 4-Thiothymidine and Adenosine upon Near UV Irradiation","Journal of the American Chemical Society","1996","118","","8142","8143","10.1021/ja961329g","","","1.5418","CuKα","","","0.067","","","0.086","","","","","1.04","1.04","","","","","has coordinates","190331","2020-10-21","18:00:00",""
"4117196","8.76","0.002","10.262","0.003","10.238","0.003","90","","100.15","0.02","90","","905.9","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0627","","","0.0571","","","","","4.123","4.123","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117205","5.388","0.001","16.063","0.003","47.049","0.009","90","","90.01","0.03","90","","4072","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-9-(10-Bromoanthracenyl)-ethanediol","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C192 H156 Br12 O24 -","12","6","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.2887","0.1058","","0.3475","0.2131","","","","1.036","1.253","1.253","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117207","8.3839","0.0011","12.1229","0.0014","18.411","0.002","90","","91.233","0.009","90","","1870.8","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Bromobenzoate of Asymmetric Dihydroxylation Product from Dihydro-fluroanthene","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C92 H68 Br4 O12 -","4","2","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1125","0.0555","","0.1319","0.1078","","","","1.007","1.066","1.066","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117213","13.363","0.005","10.277","0.004","18.792","0.004","90","","107.42","0.02","90","","2462.4","1.5","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","6","P 1 21 1","P 2yb","4","Salt of methylated photocondensation product with trifluoromethanesulfonate","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C112 H96 F12 N4 O12 S4 -","4","2","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.065","","","0.102","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117216","11.4251","0.0008","8.0931","0.0008","16.441","0.002","90","","108.424","0.007","90","","1442.3","0.3","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6S,6'S)-6,6'-Dimethyl-4,4'-spirobi(siloleno[3,2-b]thiophene)","","- C14 H16 S2 Si -","- C14 H16 S2 Si -","- C56 H64 S8 Si4 -","4","2","","Kohei Tamao; Kazunori Nakamura; Hiroyuki Ishii; Shigehiro Yamaguchi; Motoo Shiro","Axially Chiral Spirosilanes via Catalytic Asymmetric Intramolecular Hydrosilation","Journal of the American Chemical Society","1996","118","","12469","12470","10.1021/ja962754c","","","1.5418","CuKalpha","","","0.033","","","0.046","","","","","1.35","1.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117245","17.2326","0.0004","7.697","0.0002","20.4782","0.0006","90","","108.648","0.001","90","","2573.62","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H46 N2 O9 S2 -","- C58.99 H40 N2 O8.99 S2 -","- C117.98 H80 N4 O17.98 S4 -","2","1","","Nandhini Ponnuswamy; G. Dan Pantoş; Maarten M. J. Smulders; Jeremy K. M. Sanders","Thermodynamics of Supramolecular Naphthalenediimide Nanotube Formation: The Influence of Solvents, Side Chains, and Guest Templates","Journal of the American Chemical Society","2012","134","","566","573","10.1021/ja2088647","","","0.71073","MoKα","","0.1344","0.0894","","","0.2312","0.2657","","","","","","1.095","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117307","14.745","0.003","13.978","0.003","27.529","0.006","90","","95.71","0.03","90","","5646","2","148","2","148","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H65 Cl N4 O16 S -","- C52 H65 Cl N4 O17 S -","- C208 H260 Cl4 N16 O68 S4 -","4","2","","Jian Xie; Akinori Okano; Joshua G. Pierce; Robert C. James; Simon Stamm; Christine M. Crane; Dale L. Boger","Total Synthesis of [Ψ[C(=S)NH]Tpg4]Vancomycin Aglycon, [Ψ[C(=NH)NH]Tpg4]Vancomycin Aglycon, and Related Key Compounds: Reengineering Vancomycin for Dual d-Ala-d-Ala and d-Ala-d-Lac Binding","Journal of the American Chemical Society","2012","134","","1284","1297","10.1021/ja209937s","","","0.71073","MoKα","","0.1059","0.0853","","","0.213","0.2284","","","","","","1.11","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117322","12.992","0.002","8.1737","0.0013","18.325","0.003","90","","100.929","0.003","90","","1910.7","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C80 H100 F12 O12 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0814","0.0476","","","0.1112","0.1326","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117323","10.0249","0.0008","17.349","0.0014","11.815","0.001","90","","95.166","0.002","90","","2046.5","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O5 -","- C22 H31 N O5 -","- C88 H124 N4 O20 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0414","0.035","","","0.0973","0.1049","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117326","9.4828","0.0011","16.6237","0.0019","10.352","0.0012","90","","101.619","0.002","90","","1598.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 Pb S2 -","- C14 H16 O6 Pb S2 -","- C56 H64 O24 Pb4 S8 -","4","2","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.0383","0.0322","","","0.0512","0.0545","","","","","","0.874","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117329","8.8002","0.0012","13.2695","0.0019","8.9052","0.0013","90","","113.995","0.005","90","","950","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-41","","","- C24 H27 Cl0 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0322","0.0307","","","0.0744","0.0756","","","","","","1.08","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117350","5.8691","0.0002","11.2351","0.0004","14.3074","0.0005","90","","97.202","0.002","90","","935.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 S -","- C21 H24 O3 S -","- C42 H48 O6 S2 -","2","1","","Barry M. Trost; Aaron C. Burns; Mark J. Bartlett; Thomas Tautz; Andrew H. Weiss","Thionium Ion Initiated Medium-Sized Ring Formation: The Total Synthesis of Asteriscunolide D","Journal of the American Chemical Society","2012","134","","1474","1477","10.1021/ja210986f","","","1.54178","CuKα","","0.0364","0.0347","","","0.087","0.0883","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117360","6.8101","0.0006","13.0126","0.001","12.828","0.001","90","","93.991","0.002","90","","1134.02","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O6 -","- C24 H25 Br O6 -","- C48 H50 Br2 O12 -","2","1","","Barry M. Trost; Sushant Malhotra; Philipp Koschker; Pascal Ellerbrock","Development of the Enantioselective Addition of Ethyl Diazoacetate to Aldehydes: Asymmetric Synthesis of 1,2-Diols","Journal of the American Chemical Society","2012","134","","2075","2084","10.1021/ja206995s","","","0.71073","MoKα","","0.0514","0.036","","","0.0578","0.0627","","","","","","0.906","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117362","9.8372","0.0004","7.2818","0.0003","11.6037","0.0005","90","","108.626","0.002","90","","787.67","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0564","0.0456","","","0.0767","0.0781","","","","","","1.822","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117415","10.9711","0.0002","35.2476","0.0007","19.049","0.0004","90","","90.5069","0.0007","90","","7366.1","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H43 Cl3 N6 -","- C43 H43 Cl3 N6 -","- C344 H344 Cl24 N48 -","8","4","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0327","","","","0.0943","","","","","","0.874","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117425","14.3444","0.0006","52.812","0.003","19.7014","0.0009","90","","90.7824","0.001","90","","14923.5","1.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C195.13 H207.17 Cl26.51 N27.53 O5.51 Pd12 -","- C194.132 H168 Cl26.509 N27.53 O4.509 Pd12 -","- C388.264 H336 Cl53.018 N55.06 O9.018 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0823","","","","0.2359","","","","","","0.931","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117426","14.3191","0.0003","52.7125","0.001","19.6819","0.0004","90","","90.908","0.001","90","","14853.9","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C184.79 H197.62 Cl25.19 N27.64 O5.19 Pd12 -","- C184.804 H168 Cl25.188 N27.65 O5.188 Pd12 -","- C369.608 H336 Cl50.376 N55.3 O10.376 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","0.0986","0.0755","","","0.223","0.2444","","","","","","1.042","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117427","14.3425","0.0003","52.8215","0.0011","19.705","0.0004","90","","90.8605","0.0007","90","","14926.7","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C197.88 H211.03 Cl26.6 N28.55 O5.6 Pd12 -","- C196.928 H168 Cl26.596 N28.55 O4.656 Pd12 -","- C393.856 H336 Cl53.192 N57.1 O9.312 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0843","","","","0.2599","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117434","8.974","0.0007","8.3505","0.0007","12.4633","0.001","90","","108.856","0.001","90","","883.84","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0277","0.0272","","","0.0732","0.0738","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117436","9.3322","0.0008","7.1038","0.0006","12.7222","0.0011","90","","107.09","0.003","90","","806.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","JFB-03-045","toste40","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C34 H34 N2 O14 -","2","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0304","0.0302","","","0.083","0.0832","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117438","14.8369","0.0012","14.6098","0.0012","27.373","0.002","90","","103.276","0.001","90","","5774.9","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Mo(NAr)(CHCMe2Ph)(2,5-Me2Pyr)(monoBitet)","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C236 H328 Br8 Mo4 N8 O8 Si4 -","4","2","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0418","0.0319","","","0.0723","0.0766","","","","","","1.023","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117439","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117440","8.07317","0.00017","8.55027","0.00017","16.8646","0.0003","90","","98.677","0.0019","90","","1150.8","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br Cl N2 O2 -","- C25 H26 Br Cl N2 O2 -","- C50 H52 Br2 Cl2 N4 O4 -","2","1","","Łukasz Albrecht; Gustav Dickmeiss; Fabio Cruz Acosta; Carles Rodríguez-Escrich; Rebecca L. Davis; Karl Anker Jørgensen","Asymmetric Organocatalytic Formal [2 + 2]-Cycloadditions via Bifunctional H-Bond Directing Dienamine Catalysis","Journal of the American Chemical Society","2012","134","","2543","2546","10.1021/ja211878x","","","0.7107","MoKα","","0.0349","0.0304","","","0.0629","0.0654","","","","","","1.043","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117448","9.7378","0.0008","12.9988","0.0011","10.2003","0.0009","90","","108.491","0.006","90","","1224.49","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","1.54178","CuKα","","0.0709","0.0625","","","0.1678","0.1794","","","","","","1.017","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117510","10.7597","0.0006","17.135","0.001","20.224","0.0011","90","","105.116","0.001","90","","3599.6","0.4","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H68 P4 Ru Si -","- C32 H68 P4 Ru Si -","- C128 H272 P16 Ru4 Si4 -","4","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0342","0.0309","","","0.0655","0.0673","","","","","","1.034","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117512","11.2756","0.0004","17.8651","0.0005","11.2779","0.0005","90","","116.017","0.005","90","","2041.6","0.16","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H68 P4 Ru Si -","- C40 H68 P4 Ru Si -","- C80 H136 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0331","0.0307","","","0.0781","0.0805","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117513","11.6044","0.0003","16.5646","0.0002","12.0137","0.0003","90","","118.031","0.003","90","","2038.4","0.1","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H64 P4 Ru Si -","- C42 H64 P4 Ru Si -","- C84 H128 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0307","0.0273","","","0.0584","0.06","","","","","","1.015","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117517","12.52495","0.00014","12.65101","0.00013","12.52993","0.00013","90","","92.9129","0.001","90","","1982.84","0.04","110","","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H57 F5 P4 Ru -","- C42 H57 F5 P4 Ru -","- C84 H114 F10 P8 Ru2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0278","0.0257","","","0.053","0.0541","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117590","6.443","0.005","8.274","0.006","10.374","0.007","90","","97.033","0.017","90","","548.9","0.7","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C24 H38 N2 O6 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.1182","0.0952","","","0.2242","0.2557","","","","","","1.008","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117593","13.793","0.002","6.1239","0.0009","17.4312","0.0018","90","","90.656","0.005","90","","1472.3","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Cl3 N2 O2 -","- C33 H37 Cl3 N2 O2 -","- C66 H74 Cl6 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0745","0.0498","","","0.0994","0.1101","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117596","8.7006","0.0008","7.1701","0.0006","12.1807","0.0011","90","","107.222","0.005","90","","725.81","0.11","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0709","0.045","","","0.096","0.1057","","","","","","1.009","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117619","12.622","0.003","5.2414","0.0014","22.052","0.006","90","","93.864","0.003","90","","1455.6","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N O15 S -","- C25 H37 N O15 S -","- C50 H74 N2 O30 S2 -","2","1","","Jessica R. Kramer; Timothy J. Deming","Glycopolypeptides with a Redox-Triggered Helix-to-Coil Transition","Journal of the American Chemical Society","2012","134","","4112","4115","10.1021/ja3007484","","","0.71073","MoKα","","0.0934","0.0659","","","0.168","0.1826","","","","","","1.07","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117632","8.819","0.002","15.267","0.004","9.468","0.002","90","","104.101","0.005","90","","1236.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N O2 P -","- C31 H26 N O2 P -","- C62 H52 N2 O4 P2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0501","0.045","","","0.1034","0.1062","","","","","","1.003","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117684","9.9551","0.0015","23.702","0.004","11.8587","0.0018","90","","103.765","0.002","90","","2717.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 Co N3 -","- C30 H44 Co N3 -","- C120 H176 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0731","0.0678","","","0.1735","0.1792","","","","","","1.105","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117685","12.359","0.002","8.3869","0.0014","12.548","0.002","90","","91.336","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0438","0.0377","","","0.0936","0.1112","","","","","","1.115","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117686","12.3772","0.0004","8.3551","0.0003","12.5191","0.0004","90","","91.313","0.002","90","","1294.29","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","1.54178","CuKα","","0.08","0.0752","","","0.2119","0.2178","","","","","","1.093","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117687","9.611","0.002","12.746","0.003","24.056","0.006","90","","95.094","0.003","90","","2935.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 Cl Co N3 -","- C27 H39 Cl Co N3 -","- C108 H156 Cl4 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0634","0.0438","","","0.0802","0.0852","","","","","","0.973","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117688","10.029","0.0009","19.6508","0.0018","19.1243","0.0017","90","","92.985","0.002","90","","3763.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81.03 H114.1 Co3 N9 -","- C81.032 H114.096 Co3 N9 -","- C162.064 H228.192 Co6 N18 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0571","0.0442","","","0.0996","0.1054","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117726","7.5319","0.0015","15.796","0.003","8.8077","0.0018","90","","109.64","0.03","90","","986.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl2 N2 P2 -","- C18 H22 Cl2 N2 P2 -","- C36 H44 Cl4 N4 P4 -","2","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1302","0.0642","","","0.1078","0.1312","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117739","9.0551","0.0006","17.5696","0.0012","11.5133","0.0008","90","","102.374","0.003","90","","1789.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 I N Ni O P2 -","- C36 H54 I N Ni O P2 -","- C72 H108 I2 N2 Ni2 O2 P4 -","2","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0312","0.0266","","","0.0483","0.0488","","","","","","1.924","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117743","7.9538","0.0008","7.3938","0.0008","14.4424","0.0014","90","","91.551","0.002","90","","849.03","0.15","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0482","0.0411","","","0.1127","0.1184","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117758","8.3826","0.0003","8.2887","0.0003","10.0343","0.0004","90","","107.865","0.002","90","","663.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","0.71073","MoKα","","0.0355","0.033","","","0.0758","0.0777","","","","","","1.096","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117778","11.1975","0.0008","18.1867","0.0014","16.7355","0.0012","90","","100.949","0.001","90","","3346.1","0.4","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H102 K2 Lu N3 O14 Si6 -","- C42 H102 K2 Lu N3 O15.52 Si6 -","- C84 H204 K4 Lu2 N6 O31.04 Si12 -","2","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0518","0.0443","","","0.109","0.1125","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117812","9.852","0.0004","8.8052","0.0004","17.8104","0.0007","90","","90.677","0.002","90","","1544.92","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Br3 N4 O -","- C34 H27 Br3 N4 O -","- C68 H54 Br6 N8 O2 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1373","0.0618","","","0.1507","0.176","","","","","","1.031","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117819","15.1068","0.0014","15.2076","0.0012","17.5911","0.0016","90","","110.504","0.003","90","","3785.3","0.6","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C75 H73 B F24 N3 O P3 Ru Si -","- C75 H73 B F24 N3 O P3 Ru Si -","- C150 H146 B2 F48 N6 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0964","0.0595","","","0.1309","0.1515","","","","","","1.017","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117849","19.0103","0.0007","26.1002","0.0014","23.7311","0.0011","90","","92.682","0.003","90","","11761.8","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C188 H232 Cl8 N16 O13 Zn8 -","- C188 H232 Cl8 N16 O13 Zn8 -","- C376 H464 Cl16 N32 O26 Zn16 -","2","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.0944","0.0889","","","0.2529","0.262","","","","","","1.091","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117861","12.5935","0.0004","13.3827","0.0004","18.9554","0.0006","90","","106.628","0.001","90","","3061.06","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H56 B F24 Ir P2 -","- C62 H56 B F24 Ir P2 -","- C124 H112 B2 F48 Ir2 P4 -","2","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0502","","","","","","1.038","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117865","12.8702","0.001","10.2362","0.0009","15.4223","0.0014","90","","112.269","0.006","90","","1880.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F7 N O3 -","- C18 H18 F7 N O3 -","- C72 H72 F28 N4 O12 -","4","2","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.0371","0.0323","","","0.0583","0.0592","","","","","","1.589","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117883","7.289","0.0003","13.3859","0.0005","10.9809","0.0004","90","","90.292","0.001","90","","1071.39","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C32 H32 Br4 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.021","0.0196","","","0.038","0.0384","","","","","","1.455","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117895","11.2001","0.0003","7.35727","0.00017","24.4176","0.0005","90","","99.6203","0.0017","90","","1983.77","0.08","93.1","","93","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 Si -","- C26 H24 Si -","- C104 H96 Si4 -","4","2","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0491","","","","0.0725","","","","","","1.019","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117896","9.38743","0.00017","16.3753","0.0003","11.4505","0.0002","90","","100.116","0.001","90","","1732.83","0.05","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H42 Cl2 Si2 -","- C40 H42 Cl2 Si2 -","- C80 H84 Cl4 Si4 -","2","1","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0492","","","","0.1305","","","","","","1.081","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117897","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Emily C. Gentry; Jeffrey S. Johnson","Dynamic Kinetic Resolution of α-Keto Esters via Asymmetric Transfer Hydrogenation","Journal of the American Chemical Society","2012","134","","7329","7332","10.1021/ja3027136","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117962","11.7144","0.0012","8.8267","0.001","20.144","0.003","90","","101.94","0.005","90","","2037.8","0.4","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Br F3 N O3 -","- C20 H21 Br F3 N O3 -","- C80 H84 Br4 F12 N4 O12 -","4","2","","Jeffrey S. Arnold; Hien M. Nguyen","Rhodium-Catalyzed Dynamic Kinetic Asymmetric Transformations of Racemic Tertiary Allylic Trichloroacetimidates with Anilines","Journal of the American Chemical Society","2012","134","","8380","8383","10.1021/ja302223p","","","0.71073","MoKα","","0.0472","0.0344","","","0.0744","0.0795","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117974","9.2488","0.0001","5.6157","0.0001","18.4938","0.0003","90","","103.113","0.001","90","","935.49","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O -","- C25 H23 N O -","- C50 H46 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0273","0.0269","","","0.0732","0.0737","","","","","","1.059","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117975","6.16","0.00003","14.96421","0.0001","7.96235","0.00005","90","","90.1372","0.0005","90","","733.964","0.008","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0236","0.0235","","","0.0628","0.0628","","","","","","1.042","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117979","9.6783","0.001","7.2752","0.0007","10.8776","0.0012","90","","108.221","0.007","90","","727.5","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C30 H54 B2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0549","0.0538","","","0.1455","0.1473","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117981","9.7979","0.0009","5.9478","0.0005","13.9756","0.0012","90","","94.997","0.001","90","","811.35","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 I O2 -","- C16 H27 I O2 -","- C32 H54 I2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","0.71073","MoKα","","0.0204","0.019","","","0.0463","0.0473","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117982","7.7437","0.0008","10.4774","0.0011","9.3702","0.001","90","","94.759","0.004","90","","757.62","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RJPC115","toste62","","- C19 H18 F N O -","- C19 H18 F N O -","- C38 H36 F2 N2 O2 -","2","1","","Robert J. Phipps; Kenichi Hiramatsu; F. Dean Toste","Asymmetric Fluorination of Enamides: Access to α-Fluoroimines Using an Anionic Chiral Phase-Transfer Catalyst","Journal of the American Chemical Society","2012","134","","8376","8379","10.1021/ja303959p","","","1.54178","CuKα","","0.0272","0.0271","","","0.0726","0.0726","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117993","13.2065","0.0015","11.7609","0.0013","13.2632","0.0015","90","","119.393","0.002","90","","1794.9","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O2 S -","- C16 H26 Cl N O2 S -","- C64 H104 Cl4 N4 O8 S4 -","4","2","","Kohsuke Ohmatsu; Yuta Hamajima; Takashi Ooi","Catalytic Asymmetric Ring Openings of Meso and Terminal Aziridines with Halides Mediated by Chiral 1,2,3-Triazolium Silicates","Journal of the American Chemical Society","2012","134","","8794","8797","10.1021/ja3028668","","","0.71073","MoKα","","0.0555","0.0539","","","0.1502","0.1519","","","","","","1.024","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118003","5.5553","0.0002","8.3543","0.0003","14.6808","0.0004","90","","95.758","0.002","90","","677.91","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","DIMAC","bertozzi05","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0331","0.0317","","","0.0828","0.0841","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118005","9.2715","0.0018","10.938","0.002","16.787","0.003","90","","97.152","0.004","90","","1689.2","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","jongc03","Tp'Rh(CNneopentyl)(CCCMe3)Br","","- C31 H50 B Br N7 O Rh -","- C31 H50 B Br N7 O Rh -","- C62 H100 B2 Br2 N14 O2 Rh2 -","2","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0774","0.0543","","","0.101","0.1092","","","","","","1.036","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118012","7.8901","0.0007","11.4722","0.0011","12.9352","0.0012","90","","91.536","0.003","90","","1170.43","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Kyle L. Kimmel; Jimmie D. Weaver; Melissa Lee; Jonathan A. Ellman","Catalytic Enantioselective Protonation of Nitronates Utilizing an Organocatalyst Chiral Only at Sulfur","Journal of the American Chemical Society","2012","134","","9058","9061","10.1021/ja3026196","","","1.54178","CuKα","","0.025","0.025","","","0.0682","0.0682","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118013","9.4038","0.0009","15.5164","0.0015","11.0723","0.001","90","","102","0.002","90","","1580.3","0.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl2 N3 Ni O12 -","- C30 H33 Cl2 N3 Ni O12 -","- C60 H66 Cl4 N6 Ni2 O24 -","2","1","","You-Yun Zhou; Li-Jia Wang; Jun Li; Xiu-Li Sun; Yong Tang","Side-Arm-Promoted Highly Enantioselective Ring-Opening Reactions and Kinetic Resolution of Donor-Acceptor Cyclopropanes with Amines","Journal of the American Chemical Society","2012","134","","9066","9069","10.1021/ja302691r","","","0.71073","MoKα","","0.0259","0.0242","","","0.0634","0.0644","","","","","","0.82","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118019","9.8331","0.0003","12.3566","0.0004","16.8282","0.0006","90","","93.653","0.002","90","","2040.53","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl2 O3 S -","- C22 H20 Cl2 O3 S -","- C88 H80 Cl8 O12 S4 -","4","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.1778","0.099","","","0.2081","0.2776","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118027","5.6768","0.0002","9.5536","0.0003","21.6728","0.0007","90","","92.523","0.002","90","","1174.26","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0326","0.0326","","","0.0841","0.0842","","","","","","1.053","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118028","14.4823","0.0005","32.2596","0.001","14.5199","0.0005","90","","104.76","0.002","90","","6559.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C320 H368 N16 O16 -","16","8","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0421","0.0405","","","0.1032","0.1066","","","","","","1.065","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118045","10.938","0.005","5.438","0.005","16.031","0.005","90","","109.371","0.005","90","","899.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54184","CuKα","","0.0295","0.0294","","","0.0789","0.0789","","","","","","1.038","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118054","11.4605","0.0006","10.9335","0.0006","13.1568","0.0007","90","","111.428","0.003","90","","1534.64","0.15","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl3 Cu Fe N2 P -","- C31 H29 Cl3 Cu Fe N2 P -","- C62 H58 Cl6 Cu2 Fe2 N4 P2 -","2","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0343","0.0309","","","0.0762","0.0783","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118098","14.1349","0.0008","23.316","0.0012","14.1781","0.0008","90","","96.497","0.001","90","","4642.7","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N O4 -","- C23 H19 Cl2 N O4 -","- C184 H152 Cl16 N8 O32 -","8","4","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.1407","0.0816","","","0.2041","0.2416","","","","","","0.981","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118099","8.8539","0.0011","11.5917","0.0014","10.5166","0.0012","90","","103.077","0.003","90","","1051.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 Br Cl2 O6 -","- C21 H15 Br Cl2 O6 -","- C42 H30 Br2 Cl4 O12 -","2","1","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.0344","0.0316","","","0.0692","0.07","","","","","","0.965","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118124","12.1259","0.0013","6.5546","0.0007","13.8267","0.0015","90","","104.705","0.001","90","","1063","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4R,5S)-2-((benzyloxy)methyl)-4-((S)-(4-bromophenyl) (hydroxy)methyl)-5-ethyl-2-methylcyclopentane-1,3-dione","","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C46 H50 Br2 O8 -","2","1","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0387","0.0335","","","0.081","0.1008","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118125","10.435","0.0007","8.3916","0.0006","24.2782","0.0016","90","","91.363","0.002","90","","2125.4","0.3","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","(2S,4R,5S)-4-((S)-[1,1'-biphenyl]-4-yl(hydroxy)methyl) -5-ethyl-2-methyl-2-phenylcyclopentane-1,3-dione","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","2","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0904","0.0694","","","0.17","0.183","","","","","","1.094","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118158","13.7772","0.0009","9.085","0.0002","13.841","0.0009","90","","152.431","0.011","90","","801.8","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br N2 O4 -","- C15 H17 Br N2 O4 -","- C30 H34 Br2 N4 O8 -","2","1","","Aurélien Alix; Claudia Lalli; Pascal Retailleau; Géraldine Masson","Highly Enantioselective Electrophilic α-Bromination of Enecarbamates: Chiral Phosphoric Acid and Calcium Phosphate Salt Catalysts","Journal of the American Chemical Society","2012","134","","10389","10392","10.1021/ja304095z","","","1.54187","CuKα","","0.0322","0.0298","","","0.0753","0.0793","","","","","","1.059","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118179","11.1117","0.0005","5.5288","0.0003","14.6321","0.0007","90","","104.084","0.002","90","","871.89","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0258","0.0254","","","0.0692","0.0697","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118184","6.275","0.004","7.387","0.003","16.399","0.007","90","","94.918","0.011","90","","757.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H14 Br F3 O3 -","- C15 H14 Br F3 O3 -","- C30 H28 Br2 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0625","0.0649","","","","","","1.036","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118206","8.6399","0.0002","8.7456","0.0003","21.0282","0.0006","90","","101.385","0.001","90","","1557.65","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 N O4 S -","- C36 H33 N O4 S -","- C72 H66 N2 O8 S2 -","2","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0553","0.0453","","","0.1054","0.1155","","","","","","1.055","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118216","15.3726","0.0006","16.4674","0.0008","17.1716","0.0006","90","","105.749","0.002","90","","4183.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H35 F3 N2 O3 -","- C31 H35 F3 N2 O3 -","- C186 H210 F18 N12 O18 -","6","3","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0858","0.0409","","","0.0849","0.1045","","","","","","0.975","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118227","6.3826","0.0002","17.8095","0.0007","14.7575","0.0005","90","","99.669","0.004","90","","1653.67","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 S -","- C17 H25 N O2 S -","- C68 H100 N4 O8 S4 -","4","2","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","0.71073","MoKα","","0.0545","0.0407","","","0.0831","0.0912","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118228","5.9312","0.0002","8.3499","0.0005","25.2556","0.0013","90","","96.592","0.004","90","","1242.51","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","1.54184","CuKα","","0.0599","0.0496","","","0.1336","0.1468","","","","","","1.018","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118234","7.2049","0.0012","5.3099","0.001","9.434","0.002","90","","92.18","0.004","90","","360.66","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O2 -","- C7 H7 Br O2 -","- C14 H14 Br2 O4 -","2","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0187","0.0186","","","0.0496","0.0497","","","","","","1.067","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118237","19.205","0.0004","23.3121","0.0005","20.2621","0.0004","90","","90.498","0.002","90","","9071.2","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C190 H198 F2 N40 O28 -","- C190 H198 F2 N40 O28 -","- C380 H396 F4 N80 O56 -","2","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54178","CuKα","","0.1108","0.0857","","","0.2305","0.2468","","","","","","1.021","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118249","9.5289","0.0005","35.4913","0.0019","13.1869","0.0008","90","","91.204","0.003","90","","4458.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 B N2 O6 -","- C20 H31 B N2 O6 -","- C160 H248 B8 N16 O48 -","8","4","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0999","0.0782","","","0.2242","0.2409","","","","","","1.036","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118278","7.3854","0.0008","5.7613","0.0006","26.815","0.003","90","","92.526","0.005","90","","1139.9","0.2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O6 S -","- C24 H21 Br N2 O6 S -","- C48 H42 Br2 N4 O12 S2 -","2","1","","Nathan T. Jui; Jeffrey A. O. Garber; Fernanda Gadini Finelli; David W. C. MacMillan","Enantioselective Organo-SOMO Cycloadditions: A Catalytic Approach to Complex Pyrrolidines from Olefins and Aldehydes","Journal of the American Chemical Society","2012","134","","11400","11403","10.1021/ja305076b","","","0.71073","MoKα","","0.0239","0.023","","","0.0575","0.0578","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118279","10.1987","0.0005","6.0777","0.0003","16.6677","0.0008","90","","99.679","0.003","90","","1018.43","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C48 H42 Cl2 N4 O2 -","2","1","","Barry M. Trost; Tom M. Lam","Development of Diamidophosphite Ligands and Their Application to the Palladium-Catalyzed Vinyl-Substituted Trimethylenemethane Asymmetric [3 + 2] Cycloaddition","Journal of the American Chemical Society","2012","134","","11319","11321","10.1021/ja305717r","","","1.54178","CuKα","","0.0365","0.034","","","0.085","0.0869","","","","","","1.041","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118280","7.0555","0.0002","17.1622","0.0006","13.3154","0.0004","90","","101.11","0.002","90","","1582.12","0.09","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 F4 N2 O2 -","- C15 H18 F4 N2 O2 -","- C60 H72 F16 N8 O8 -","4","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0644","0.0492","","","0.1094","0.1179","","","","","","1.066","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118283","10.1978","0.0004","24.1992","0.0013","17.2357","0.0005","90","","107.207","0.001","90","","4063","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F4 N2 O4 -","- C19 H24 F4 N2 O4 -","- C152 H192 F32 N16 O32 -","8","4","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0719","0.055","","0.1485","0.1245","0.1485","","","","","","0.9771","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118303","7.13","0.002","10.625","0.003","9.959","0.003","90","","91.675","0.003","90","","754.1","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C10 H36 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.047","0.0461","","","","0.118","","","","","","1.061","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118305","7.159","0.004","10.674","0.006","9.962","0.006","90","","91.604","0.009","90","","760.9","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0509","0.0488","","","","0.1068","","","","","","1.078","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118327","7.1389","0.0017","10.738","0.003","9.936","0.002","90","","90.921","0.003","90","","761.6","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0472","0.0374","","","","0.0744","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118328","7.146","0.002","10.78","0.004","9.935","0.003","90","","90.978","0.004","90","","765.2","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0473","0.0345","","","","0.0728","","","","","","0.827","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118329","7.147","0.002","10.756","0.003","9.944","0.003","90","","91.089","0.004","90","","764.3","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0457","0.0364","","","","0.0752","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118330","7.15","0.002","10.74","0.003","9.951","0.003","90","","91.177","0.004","90","","764","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0444","0.039","","","","0.0837","","","","","","1.01","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118331","7.151","0.002","10.73","0.003","9.954","0.003","90","","91.143","0.004","90","","763.6","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0465","0.0351","","","","0.1159","","","","","","0.869","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118332","7.152","0.002","10.712","0.003","9.959","0.003","90","","91.2","0.004","90","","762.8","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0382","","","","0.0845","","","","","","1.044","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118333","7.155","0.002","10.711","0.003","9.96","0.003","90","","91.25","0.004","90","","763.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0429","0.0359","","","","0.0733","","","","","","0.814","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118334","7.154","0.002","10.698","0.003","9.966","0.003","90","","90","","90","","762.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0421","0.0363","","","","0.0747","","","","","","0.932","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118335","7.157","0.002","10.694","0.003","9.972","0.003","90","","91.327","0.005","90","","763","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0384","","","","0.0794","","","","","","0.983","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118349","10.7312","0.0006","6.0144","0.0004","11.0902","0.0007","90","","103.15","0.002","90","","697.01","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.0301","0.0299","","","0.0819","0.0821","","","","","","1.046","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118356","17.2639","0.0003","16.1292","0.0003","20.9014","0.0004","90","","93.522","0.009","90","","5809.06","0.19","150","1","150","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67 H62 B Br Fe N2 O P2 -","- C67 H62 B Br Fe N2 O P2 -","- C268 H248 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Alexandre A. Mikhailine; Mazharul I. Maishan; Alan J. Lough; Robert H. Morris","The Mechanism of Efficient Asymmetric Transfer Hydrogenation of Acetophenone Using an Iron(II) Complex Containing an (S,S)-Ph2PCH2CH=NCHPhCHPhN=CHCH2PPh2 Ligand: Partial Ligand Reduction Is the Key","Journal of the American Chemical Society","2012","134","","12266","12280","10.1021/ja304814s","","","0.71073","MoKα","","0.1272","0.0709","","","0.1626","0.1802","","","","","","1.053","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118362","5.6687","0.0007","15.6022","0.0017","14.1563","0.0017","90","","90.501","0.006","90","","1252","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-3-hydroxy-2- methoxy-1,2-oxaphosphinane 2-oxide","","- C27 H31 O7 P -","- C27 H31 O7 P -","- C54 H62 O14 P2 -","2","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.2088","0.1282","","","0.3031","0.37","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118390","12.3032","0.0012","5.6451","0.0005","12.6251","0.0009","90","","111.284","0.003","90","","817.04","0.12","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0352","0.0312","","","0.0751","0.0772","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118393","6.634","0.019","7.46","0.02","16.24","0.04","90","","91.67","0.03","90","","803","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C38 H36 Cl2 N2 O4 -","2","1","","Gen Zhang; Yunxia Ma; Shoulei Wang; Yaohu Zhang; Rui Wang","Enantioselective Metal/Organo-Catalyzed Aerobic Oxidative sp3 C-H Olefination of Tertiary Amines Using Molecular Oxygen as the Sole Oxidant","Journal of the American Chemical Society","2012","134","","12334","12337","10.1021/ja303333k","","","0.71073","MoKα","","0.1007","0.0573","","","0.1217","0.1458","","","","","","1.01","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118421","8.29","0.0003","12.3742","0.0005","12.9732","0.0005","90","","98.477","0.002","90","","1316.28","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 I2 In N3 O -","- C22 H36 I2 In N3 O -","- C44 H72 I4 In2 N6 O2 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0313","0.0282","","","0.0629","0.0643","","","","","","1.095","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4118424","10.5934","0.0002","17.4212","0.0004","15.661","0.0003","90","","102.128","0.001","90","","2825.73","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H83 I2 In2 N4 O4 -","- C48 H83 I2 In2 N4 O4 -","- C96 H166 I4 In4 N8 O8 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0289","0.0255","","","0.0578","0.0599","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118428","7.6609","0.0004","5.2659","0.0003","17.452","0.0008","90","","97.885","0.003","90","","697.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C30 H36 O4 S2 -","2","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","0.71073","MoKα","","0.0305","0.0271","","","0.0661","0.0679","","","","","","1.041","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118436","7.5941","0.0015","11.207","0.002","14.909","0.003","90","","94.05","0.03","90","","1265.7","0.4","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 O7 -","- C30 H28 O7 -","- C60 H56 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.168","0.0518","","","0.0498","0.0577","","","","","","0.745","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118437","9.988","0.005","7.091","0.003","19.356","0.009","90","","94.828","0.009","90","","1366","1.1","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O7 -","- C30 H30 O7 -","- C60 H60 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.0722","0.064","","","0.1058","0.1092","","","","","","1.172","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118439","12.6693","0.0018","15.589","0.002","12.7899","0.0018","90","","90.318","0.002","90","","2526","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H51 Cl4 I N2 O2 Ru -","- C54 H51 Cl4 I N2 O2 Ru -","- C108 H102 Cl8 I2 N4 O4 Ru2 -","2","1","","R. Kashif M. Khan; Adil R. Zhugralin; Sebastian Torker; Robert V. O'Brien; Pamela J. Lombardi; Amir H. Hoveyda","Synthesis, Isolation, Characterization, and Reactivity of High-Energy Stereogenic-at-Ru Carbenes: Stereochemical Inversion through Olefin Metathesis and Other Pathways","Journal of the American Chemical Society","2012","134","","12438","12441","10.1021/ja3056722","","","0.71073","MoKα","","0.0641","0.0504","","","0.1223","0.1328","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118446","8.6055","0.001","8.1966","0.0009","19.405","0.002","90","","100.105","0.002","90","","1347.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O3 P -","- C12 H19 O3 P -","- C48 H76 O12 P4 -","4","2","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0568","0.0491","","","0.1169","0.1234","","","","","","1.03","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118447","8.2186","0.0011","6.2179","0.0009","12.3208","0.0017","90","","96.635","0.003","90","","625.41","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 O4 P -","- C13 H15 O4 P -","- C26 H30 O8 P2 -","2","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0335","0.0326","","","0.0827","0.0837","","","","","","1.056","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118495","8.39375","0.00013","9.36061","0.00012","21.2883","0.0004","90","","97.9774","0.0015","90","","1656.45","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 S2 Si -","- C34 H40 O6 S2 Si -","- C68 H80 O12 S4 Si2 -","2","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.7107","MoKα","","0.054","0.0418","","","0.0812","0.0871","","","","","","1.047","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118554","6.6812","0.0008","9.6029","0.0014","18.372","0.002","90","","96.333","0.003","90","","1171.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","2","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71075","MoKα","","0.0348","0.0332","","","0.0928","0.0941","","","","","","1.105","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118584","11.865","0.003","16.434","0.003","17.172","0.004","90","","104.573","0.003","90","","3240.6","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H58 B N O2 P2 Ru -","- C29 H58 B N O2 P2 Ru -","- C116 H232 B4 N4 O8 P8 Ru4 -","4","2","","Chidambaram Gunanathan; Markus Hölscher; Fangfang Pan; Walter Leitner","Ruthenium Catalyzed Hydroboration of Terminal Alkynes toZ-Vinylboronates","Journal of the American Chemical Society","2012","134","","14349","14352","10.1021/ja307233p","","","0.71073","MoKα","","0.0317","0.0295","","","0.0714","0.073","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118585","8.0095","0.0012","7.7557","0.0012","9.8426","0.0014","90","","108.16","0.002","90","","580.96","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl2 Cs2 Hg I2 -","- Cl2 Cs2 Hg I2 -","- Cl4 Cs4 Hg2 I4 -","2","1","","Gang Zhang; Yanjun Li; Kui Jiang; Huiyi Zeng; Tao Liu; Xingguo Chen; Jingui Qin; Zheshuai Lin; Peizhen Fu; Yicheng Wu; Chuangtian Chen","A New Mixed Halide, Cs2HgI2Cl2: Molecular Engineering for a New Nonlinear Optical Material in the Infrared Region","Journal of the American Chemical Society","2012","134","","14818","14822","10.1021/ja3037299","","","0.71073","MoKα","","0.0433","0.035","","","0.0945","0.1167","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118589","9.789","0.014","22.29","0.03","16.53","0.02","90","","91.75","0.03","90","","3605","8","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H36 N4 O10 Zn2 -","- C34 H33 N4 O10 Zn2 -","- C136 H132 N16 O40 Zn8 -","4","2","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1527","0.0734","","","0.1544","0.1866","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118594","11.8304","0.0003","11.6976","0.0003","13.0197","0.0003","90","","103.232","0.001","90","","1753.93","0.08","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C82 H88 Cl2 N2 O4 P2 Rh2 -","2","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0236","0.0219","","","0.0513","0.0521","","","","","","1.044","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118597","9.837","0.008","9.489","0.008","10.72","0.009","90","","107.12","0.013","90","","956.3","1.4","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0683","0.044","","","0.1095","0.1224","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118598","9.8224","0.0011","9.6","0.0011","10.672","0.0012","90","","106.837","0.002","90","","963.18","0.19","373","2","373","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0557","0.039","","","0.1067","0.1159","","","","","","1.089","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118613","8.2326","0.0002","9.9596","0.0003","12.9633","0.0004","90","","101.47","0.001","90","","1041.68","0.05","100","","100","","","","","","","","dichloromethane/heptane","4","P 1 21 1","P 2yb","4","","23p","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0297","0.0286","","","0.0696","0.0701","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118618","12.383","0.003","14.152","0.004","16.719","0.004","90","","111.16","0.004","90","","2732.4","1.2","100","","100","","","","","","","","acetonitrile,diethylether,pentane","7","P 1 21 1","P 2yb","4","","","","- C66 H60 Au Cl N3 O4 P -","- C66 H60 Au Cl N3 O4 P -","- C132 H120 Au2 Cl2 N6 O8 P2 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0397","0.0321","","","0.0768","0.0802","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118621","16.7208","0.0003","8.1057","0.0002","36.3982","0.0007","90","","102.939","0.001","90","","4807.93","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H62 Si2 -","- C58 H62 Si2 -","- C232 H248 Si8 -","4","2","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0323","0.031","","","0.0817","0.0828","","","","","","1.06","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118636","5.9599","0.0004","14.1275","0.0007","11.3539","0.0006","90","","92.37","0.005","90","","955.16","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0532","0.0455","","","0.1037","0.1116","","","","","","1.007","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118684","11.00084","0.00017","42.3567","0.0006","20.2297","0.0003","90","","90.5529","0.0015","90","","9425.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H69 Cl3 Si3 -","- C45 H69 Cl3 Si3 -","- C360 H552 Cl24 Si24 -","8","4","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0567","0.0466","","","0.1171","0.1272","","","","","","0.976","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118709","12.163","0.001","8.5438","0.0007","16.1345","0.0013","90","","94.225","0.004","90","","1672.1","0.2","94","2","94","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H53 N O5 Si3 -","- C25 H53 N O5 Si3 -","- C50 H106 N2 O10 Si6 -","2","1","","Eric L. Dane; Mark W. Grinstaff","Poly-amido-saccharides: Synthesis via Anionic Polymerization of a β-Lactam Sugar Monomer","Journal of the American Chemical Society","2012","134","","16255","16264","10.1021/ja305900r","","","1.54178","CuKα","","0.1009","0.0713","","","0.1969","0.2065","","","","","","1.069","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118728","9.9906","0.0009","16.1232","0.0013","10.7986","0.001","90","","98.644","0.01","90","","1719.7","0.3","123","","123","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C35 H55 Cl O P2 Ru -","- C35 H55 Cl O P2 Ru -","- C70 H110 Cl2 O2 P4 Ru2 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0238","0.022","","","0.053","0.0532","","","","","","1.056","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118769","9.68805","0.00018","10.08629","0.00018","20.5544","0.0004","90","","99.1108","0.0007","90","","1983.16","0.06","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 O Si -","- C23 H26 O Si -","- C92 H104 O4 Si4 -","4","2","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.0373","","","","0.1064","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118778","6.8937","0.0012","15.987","0.003","16.978","0.003","90","","101.917","0.004","90","","1830.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","2","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.094","0.0669","","","0.1347","0.1472","","","","","","1.107","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118779","13.5787","0.0015","5.2656","0.0008","14.435","0.002","90","","91.579","0.004","90","","1031.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.0568","0.0484","","","0.1113","0.1151","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118783","8.5502","0.0006","7.5474","0.0006","9.7027","0.0007","90","","95.337","0.001","90","","623.42","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0317","0.0293","","","0.078","0.0804","","","","","","1.03","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118785","6.602","0.003","10.144","0.005","12.973","0.007","90","","95.204","0.006","90","","865.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C30 H42 N6 O12 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.1146","0.0743","","","0.1753","0.2012","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118816","10.7784","0.0004","13.0786","0.0006","12.4834","0.0005","90","","107.655","0.002","90","","1676.86","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium closo-7,8,9,10,11,12-hexabromocarboranate","","- C11 H33 B11 Br6 N2 Si3 -","- C11 H33 B11 Br6 N2 Si3 -","- C22 H66 B22 Br12 N4 Si6 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0633","0.0351","","","0.0634","0.0709","","","","","","0.975","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118828","10.3715","0.0002","8.9189","0.0002","11.0807","0.0003","90","","114.652","0.001","90","","931.57","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.061","0.0409","","0.0881","0.0803","0.0881","","","","","","0.9389","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118860","13.2013","0.0007","14.5468","0.0007","14.6172","0.0007","90","","106.826","0.002","90","","2686.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H84 N2 Si4 -","- C52 H84 N2 Si4 -","- C104 H168 N4 Si8 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0593","0.0444","","","0.0965","0.1031","","","","","","1.127","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118868","5.94049","0.00007","31.6895","0.0003","10.02062","0.00007","90","","91.7156","0.0008","90","","1885.55","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","2","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0589","0.0574","","","0.169","0.1703","","","","","","1.059","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118884","9.81","0.004","10.483","0.003","11.67","0.005","90","","102.286","0.0016","90","","1172.6","0.8","103.15","","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 O8 Ru -","- C26 H20 O8 Ru -","- C52 H40 O16 Ru2 -","2","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0275","0.0257","","","0.0585","0.061","","","","","","1.162","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118893","9.398","0.0012","6.1397","0.0008","11.6079","0.0016","90","","109.978","0.004","90","","629.48","0.14","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Michael W. Lodewyk; Cristian Soldi; Paul B. Jones; Marilyn M. Olmstead; Juan Rita; Jared T. Shaw; Dean J. Tantillo","The Correct Structure of Aquatolide-Experimental Validation of a Theoretically-Predicted Structural Revision","Journal of the American Chemical Society","2012","134","","18550","18553","10.1021/ja3089394","","","1.54178","CuKα","","0.028","0.0268","","","0.0709","0.0712","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118895","11.1325","0.0004","28.0382","0.0008","13.2787","0.0005","90","","98.017","0.001","90","","4104.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Dy(BPh4)*C7H8","","","- C51 H58 B Dy -","- C51 H58 B Dy -","- C204 H232 B4 Dy4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.016","0.0157","","","0.0369","0.037","","","","","","1.038","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118897","11.1431","0.0013","28.072","0.004","13.2834","0.0016","90","","98.086","0.006","90","","4113.9","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Tb(BPh4)*C7H8","","","- C51 H58 B Tb -","- C51 H58 B Tb -","- C204 H232 B4 Tb4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0219","0.0209","","","0.0445","0.045","","","","","","1.027","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118900","11.163","0.006","12.201","0.006","13.562","0.007","90","","94.723","0.006","90","","1840.9","1.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H36 N3 O5 P -","- C42 H36 N3 O5 P -","- C84 H72 N6 O10 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0546","0.0454","","","0.1076","0.1119","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118906","10.085","0.003","5.6029","0.0018","14.674","0.005","90","","103.61","0.006","90","","805.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0933","0.058","","","0.0932","0.1023","","","","","","0.806","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118917","5.8661","0.0012","25.627","0.005","12.819","0.003","90","","98.922","0.003","90","","1903.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 Br3 O8 -","- C40 H39 Br3 O8 -","- C80 H78 Br6 O16 -","2","1","","Yalan Xing; Sudhir M. Hande; Yoshito Kishi","Photochemistry of Mycolactone A/B, the Causative Toxin of Buruli Ulcer","Journal of the American Chemical Society","2012","134","","19234","19239","10.1021/ja309215m","","","0.71073","MoKα","","0.054","0.0381","","","0.0564","0.0602","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118979","11.23","0.002","7.1864","0.0014","20.729","0.004","90","","98.453","0.003","90","","1654.7","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0499","0.039","","","0.0697","0.0734","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118984","9.6294","0.0005","29.9291","0.0015","9.7605","0.0005","90","","116.237","0.002","90","","2523.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22 Br Cl O4 S -","- C28 H22 Br Cl O4 S -","- C112 H88 Br4 Cl4 O16 S4 -","4","2","","Yi Luan; Scott E. Schaus","Enantioselective Addition of Boronates too-Quinone Methides Catalyzed by Chiral Biphenols","Journal of the American Chemical Society","2012","134","","19965","19968","10.1021/ja309076g","","","0.71073","MoKα","","0.0391","0.0287","","","0.064","0.067","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119006","6.751","0.002","10.752","0.003","14.225","0.005","90","","101.543","0.005","90","","1011.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 S -","- C19 H26 N2 O5 S -","- C38 H52 N4 O10 S2 -","2","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0751","0.0554","","","0.1179","0.1254","","","","","","0.977","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119008","7.0718","0.0017","9.922","0.003","19.048","0.005","90","","95.248","0.005","90","","1330.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0693","","","","0.1988","","","","","","1.092","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119009","16.4767","0.0003","4.7717","0.0001","20.1538","0.0004","90","","111.124","0.001","90","","1478.05","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","2","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0521","0.0368","","","0.0662","0.0709","","","","","","0.966","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119011","5.1865","0.0001","20.1756","0.0003","7.4953","0.0001","90","","104.071","0.001","90","","760.78","0.02","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 Br2 O2 -","- C15 H20 Br2 O2 -","- C30 H40 Br4 O4 -","2","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0201","0.0194","","","0.0447","0.0448","","","","","","0.939","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119012","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Michael T. Corbett; C. Guy Goodman; Jeffrey S. Johnson","Asymmetric Synthesis of Diverse Glycolic Acid Scaffolds via Dynamic Kinetic Resolution of α-Keto Esters","Journal of the American Chemical Society","2012","134","","20197","20206","10.1021/ja3102709","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119014","12.045","0.001","6.7445","0.0004","16.898","0.001","90","0.001","102.847","0.001","90","0.001","1338.39","0.16","173.1","","173.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si5 -","- C24 H36 Si5 -","- C48 H72 Si10 -","2","1","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.7107","MoKα","","","0.0295","","","","0.0684","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119023","12.776","0.003","16.646","0.003","14.441","0.003","90","","115.63","0.03","90","","2769","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H68 Cl2 P2 Pd2 -","- C62 H68 Cl2 P2 Pd2 -","- C124 H136 Cl4 P4 Pd4 -","2","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1261","0.0558","","","0.1226","0.161","","","","","","0.993","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119034","11.2299","0.0007","6.1185","0.0004","11.449","0.0007","90","","107.071","0.001","90","","752","0.08","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0269","0.0258","","","0.0671","0.0684","","","","","","1.072","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119059","6.1308","0.0005","33.463","0.004","10.2958","0.0007","90","","90.668","0.007","90","","2112.1","0.3","294.32","0.1","294.32","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.1782","0.0971","","","0.2751","0.3725","","","","","","1.049","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4119117","9.3406","0.0019","12.461","0.003","15.759","0.003","90","","103.66","0.03","90","","1782.4","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br F N O -","- C19 H23 Br F N O -","- C76 H92 Br4 F4 N4 O4 -","4","2","","Shibatomi, Kazutaka; Futatsugi, Kentaro; Kobayashi, Fumito; Iwasa, Seiji; Yamamoto, Hisashi","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels−Alder Reaction","Journal of the American Chemical Society","2010","132","16","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.0726","0.0503","","","0.1182","0.1302","","","","","","0.683","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119155","5.9054","0.0001","16.73","0.0003","13.3212","0.0002","90","","96.165","0.001","90","","1308.49","0.04","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 F -","- C18 H15 F -","- C72 H60 F4 -","4","2","","Prantik Maity; Danielle M. Shacklady-McAtee; Glenn P. A. Yap; Eric R. Sirianni; Mary P. Watson","Nickel-Catalyzed Cross Couplings of Benzylic Ammonium Salts and Boronic Acids: Stereospecific Formation of Diarylethanes via C-N Bond Activation","Journal of the American Chemical Society","2013","135","","280","285","10.1021/ja3089422","","","1.54178","CuKα","","0.0259","0.0256","","","0.0743","0.0746","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119194","10.6837","0.0003","5.7318","0.0002","11.1098","0.0004","90","","106.432","0.003","90","","652.54","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O4 P -","- C12 H19 O4 P -","- C24 H38 O8 P2 -","2","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0532","0.0474","","","0.1135","0.1174","","","","","","1.092","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119199","17.0864","0.0002","10.1163","0.0001","20.225","0.0003","90","","108.796","0.001","90","","3309.48","0.07","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O2 -","- C25 H35 N O2 -","- C150 H210 N6 O12 -","6","3","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.0508","0.0443","","","0.1205","0.1392","","","","","","1.058","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119202","9.841","0.004","11.072","0.003","11.722","0.003","90","","92.397","0.017","90","","1276.1","0.7","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 O2 Rh -","- C33 H31 O2 Rh -","- C66 H62 O4 Rh2 -","2","1","","Baihua Ye; Nicolai Cramer","A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)-Catalyzed C-H Allylations of Benzamides","Journal of the American Chemical Society","2013","135","","636","639","10.1021/ja311956k","","","0.71073","MoKα","","0.0471","0.0406","","","0.0978","0.1028","","","","","","1.077","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119203","8.0078","0.0005","7.1876","0.0004","13.4198","0.0008","90","","90.271","0.005","90","","772.39","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C30 H40 Br2 N2 O6 -","2","1","","Baihua Ye; Nicolai Cramer","A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)-Catalyzed C-H Allylations of Benzamides","Journal of the American Chemical Society","2013","135","","636","639","10.1021/ja311956k","","","1.54178","CuKα","","0.0634","0.0627","","","0.1694","0.1713","","","","","","1.065","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119204","6.4664","0.0007","24.377","0.003","20.197","0.002","90","","90.982","0.002","90","","3183.2","0.6","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl O4 -","- C23 H23 Cl O4 -","- C138 H138 Cl6 O24 -","6","3","","Kohsuke Ohmatsu; Mitsunori Ito; Tomoatsu Kunieda; Takashi Ooi","Exploiting the Modularity of Ion-Paired Chiral Ligands for Palladium-Catalyzed Enantioselective Allylation of Benzofuran-2(3H)-ones","Journal of the American Chemical Society","2013","135","","590","593","10.1021/ja312125a","","","0.71073","MoKα","","0.0866","0.0612","","","0.1184","0.13","","","","","","1.03","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119211","9.7335","0.0003","13.564","0.0005","21.0262","0.0008","90","","91.726","0.0011","90","","2774.73","0.17","110","2","110","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H35 B F6 N O P Pd -","- C27 H35 B F6 N O P Pd -","- C54 H70 B2 F12 N2 O2 P2 Pd2 -","2","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.1255","0.0749","","","0.1621","0.1863","","","","","","1.123","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119217","6.1432","0.0003","17.988","0.0008","12.9513","0.0006","90","","91.17","0.003","90","","1430.87","0.12","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Vincent N. G. Lindsay; Dominic Fiset; Philipp J. Gritsch; Soula Azzi; André B. Charette","Stereoselective Rh2(S-IBAZ)4-Catalyzed Cyclopropanation of Alkenes, Alkynes, and Allenes: Asymmetric Synthesis of Diacceptor Cyclopropylphosphonates and Alkylidenecyclopropanes","Journal of the American Chemical Society","2013","135","","1463","1470","10.1021/ja3099728","","","1.54178","CuKα","","0.0451","0.042","","","0.1034","0.1052","","","","","","1.141","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119228","7.9955","0.0006","14.58","0.001","15.7188","0.0011","90","","93.128","0.002","90","","1829.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0387","0.0355","","","0.0881","0.0899","","","","","","1.078","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119229","5.9133","0.0001","11.6063","0.0003","9.9179","0.0002","90","","94.063","0.002","90","","678.97","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Xiu-Fen Cheng; Yan Li; Yi-Ming Su; Feng Yin; Jian-Yong Wang; Jie Sheng; Harit U. Vora; Xi-Sheng Wang; Jin-Quan Yu","Pd(II)-Catalyzed Enantioselective C-H Activation/C-O Bond Formation: Synthesis of Chiral Benzofuranones","Journal of the American Chemical Society","2013","135","","1236","1239","10.1021/ja311259x","","","1.54184","CuKα","","0.0313","0.0307","","","0.0983","0.0997","","","","","","1.007","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119246","24.9942","0.0018","6.4579","0.0005","31.448","0.002","90","","103.432","0.003","90","","4937.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","RJP-D206-chiral","toste67","","- C22 H19 F O -","- C22 H19 F O -","- C264 H228 F12 O12 -","12","6","","Robert J. Phipps; F. Dean Toste","Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols","Journal of the American Chemical Society","2013","135","","1268","1271","10.1021/ja311798q","","","1.54178","CuKα","","0.0518","0.0473","","","0.1153","0.1183","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119265","8.1356","0.0001","24.0863","0.0004","14.2335","0.0002","90","","100.981","0.001","90","","2738.08","0.07","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","MPL-X-119#2","(4S,12bS)-4-(4-Bromophenyl)-12-tosyl-1,3,4,6,7,12b-hexahydro- indolo[2,3-a]quinolizin-2(12H)-one Hemi(benzene) Solvate","","- C31 H28 Br N2 O3 S -","- C31 H28 Br N2 O3 S -","- C124 H112 Br4 N8 O12 S4 -","4","2","","Mathieu P. Lalonde; Meredeth A. McGowan; Naomi S. Rajapaksa; Eric N. Jacobsen","Enantioselective Formal Aza-Diels-Alder Reactions of Enones with Cyclic Imines Catalyzed by Primary Aminothioureas","Journal of the American Chemical Society","2013","135","","1891","1894","10.1021/ja310718f","","","0.71073","MoKα","","0.0592","0.0417","","","0.0884","0.0959","","","","","","1","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119343","6.0151","0.0004","18.2558","0.0012","6.235","0.0004","90","","95.614","0.002","90","","681.38","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CS-11052","hartwig15","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","","Christo S. Sevov; John F. Hartwig","Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes","Journal of the American Chemical Society","2013","135","","2116","2119","10.1021/ja312360c","","","1.54178","CuKα","","0.03","0.03","","","0.0729","0.0729","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119374","11.3472","0.0003","16.1304","0.0005","11.5066","0.0003","90","","110.156","0.0006","90","","1977.13","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","2","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0521","0.0388","","","0.0823","0.0948","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119383","8.5973","0.001","7.263","0.001","13.3032","0.0016","90","","91.863","0.009","90","","830.24","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0561","0.0473","","","0.1116","0.1159","","","","","","1.08","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119384","14.6441","0.0014","6.9021","0.0007","16.9049","0.0016","90","","106.762","0.004","90","","1636.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","2","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0347","0.0337","","","0.0878","0.0888","","","","","","1.027","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119385","7.9329","0.0003","7.1935","0.0003","10.3786","0.0004","90","","90.391","0.001","90","","592.24","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C26 H44 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0299","0.0296","","","0.0792","0.0793","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119386","6.7212","0.0006","7.0056","0.0007","15.1193","0.0014","90","","93.239","0.004","90","","710.77","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0314","0.0312","","","0.0827","0.0829","","","","","","1.085","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119397","10.5992","0.0007","14.6639","0.0006","21.9076","0.0009","90","","91.138","0.005","90","","3404.3","0.3","283","2","283","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Br F3 N2 O2 -","- C17 H12 Br F3 N2 O2 -","- C136 H96 Br8 F24 N16 O16 -","8","4","","Jian-Rong Gao; Hao Wu; Bin Xiang; Wu-Bin Yu; Liang Han; Yi-Xia Jia","Highly Enantioselective Construction of Trifluoromethylated All-Carbon Quaternary Stereocenters via Nickel-Catalyzed Friedel-Crafts Alkylation Reaction","Journal of the American Chemical Society","2013","135","","2983","2986","10.1021/ja400650m","","","0.71073","MoKα","","0.1332","0.0593","","","0.1158","0.1516","","","","","","1.013","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119405","10.79","0.0004","10.1646","0.0004","16.7717","0.0007","90","","105.078","0.002","90","","1776.13","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C68 H68 N20 O24 -","4","2","","Rohit Tiwari; Garrett C. Moraski; Viktor Krchňák; Patricia A. Miller; Mariangelli Colon-Martinez; Eliza Herrero; Allen G. Oliver; Marvin J. Miller","Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents","Journal of the American Chemical Society","2013","135","","3539","3549","10.1021/ja311058q","","","1.54184","CuKα","","0.0378","0.0354","","","0.0943","0.0961","","","","","","1.038","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119406","9.669","0.0001","8.0666","0.0001","20.783","0.0003","90","","90.604","0.001","90","","1620.9","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","2","","Rohit Tiwari; Garrett C. Moraski; Viktor Krchňák; Patricia A. Miller; Mariangelli Colon-Martinez; Eliza Herrero; Allen G. Oliver; Marvin J. Miller","Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents","Journal of the American Chemical Society","2013","135","","3539","3549","10.1021/ja311058q","","","1.54184","CuKα","","0.0406","0.0393","","","0.11","0.1116","","","","","","1.051","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119450","7.6643","0.0007","24.652","0.002","10.9316","0.001","90","","110.313","0.001","90","","1937","0.3","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.5 H20.5 Br O3 -","- C22 H24 Br O3 -","- C88 H96 Br4 O12 -","4","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0406","0.0336","","","0.0754","0.0774","","","","","","1.01","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119480","7.0769","0.0006","15.3364","0.0018","8.3414","0.0007","90","","98.595","0.004","90","","895.16","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 B N O P -","- C18 H25 B N O P -","- C36 H50 B2 N2 O2 P2 -","2","1","","Hester Zijlstra; Thierry León; Abel de Cózar; Célia Fonseca Guerra; Daniel Byrom; Antoni Riera; Xavier Verdaguer; F. Matthias Bickelhaupt","Stereodivergent SN2@P Reactions of Borane Oxazaphospholidines: Experimental and Theoretical Studies","Journal of the American Chemical Society","2013","135","","4483","4491","10.1021/ja400208t","","","0.71073","MoKα","","0.0401","0.0373","","","0.0887","0.0968","","","","","","1.095","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119495","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Synthesis of Plectosphaeroic Acid B","Journal of the American Chemical Society","2013","135","","4231","4234","10.1021/ja401423j","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119514","22.104","0.004","25.028","0.005","23.517","0.005","90","","117.49","0.03","90","","11541","5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54.5 H63.75 F3 N12 O8.5 -","- C54.5 H63.75 F3 N12 O8.25 -","- C436 H510 F24 N96 O66 -","8","4","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.1433","0.1005","","","0.2672","0.321","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119515","13.389","0.002","25.301","0.006","17.527","0.003","90","","96.476","0.015","90","","5899.5","1.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C114.88 H140 F5.6 N24 O15 -","- C114.88 H140 F5.6 N24 O15 -","- C229.76 H280 F11.2 N48 O30 -","2","1","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.1415","0.0819","","","0.1863","0.21","","","","","","0.863","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119516","9.877","0.002","25.468","0.005","11.919","0.002","90","","100.92","0.03","90","","2943.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 F5 N4 O2 -","- C13 H11 F5 N4 O2 -","- C104 H88 F40 N32 O16 -","8","4","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","0.8726","","","0.0549","0.0539","","","0.1407","0.1418","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119540","9.2144","0.0012","9.3239","0.0012","9.5262","0.0013","90","","109.663","0.006","90","","770.71","0.18","106","","106","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 O3 S2 -","- C14 H22 O3 S2 -","- C28 H44 O6 S4 -","2","1","","Hao Jiang; David Cruz Cruz; Yang Li; Vibeke Henriette Lauridsen; Karl Anker Jørgensen","Asymmetric Organocatalytic Thio-Diels-Alder Reactions via Trienamine Catalysis","Journal of the American Chemical Society","2013","135","","5200","5207","10.1021/ja4007244","","","0.71073","MoKα","","0.0308","0.0284","","","0.0721","0.0741","","","","","","1.054","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119550","10.254","0.011","6.962","0.008","11.58","0.013","90","","110.196","0.016","90","","775.9","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Br2 O -","- C17 H20 Br2 O -","- C34 H40 Br4 O2 -","2","1","","Gerri E. Hutson; Yunus E. Türkmen; Viresh H. Rawal","Salen Promoted Enantioselective Nazarov Cyclizations of Activated and Unactivated Dienones","Journal of the American Chemical Society","2013","135","","4988","4991","10.1021/ja401908m","","","0.71073","MoKα","","0.1242","0.0891","","","0.2063","0.2237","","","","","","0.967","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119571","5.82402","0.00008","22.0575","0.0004","8.42973","0.00012","90","","98.8603","0.0012","90","","1069.99","0.03","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br2 N3 O3 -","- C22 H19 Br2 N3 O3 -","- C44 H38 Br4 N6 O6 -","2","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0257","0.0255","","","0.0666","0.0667","","","","","","1.075","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119697","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Scott E. Denmark; Alex Jaunet","Catalytic, Enantioselective, Intramolecular Carbosulfenylation of Olefins","Journal of the American Chemical Society","2013","135","","6419","6422","10.1021/ja401867b","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119728","10.2635","0.0003","5.088","0.0001","15.9439","0.0004","90","","97.188","0.001","90","","826.06","0.04","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Hengbin Wang; Gang Li; Keary M. Engle; Jin-Quan Yu; Huw M. L. Davies","Sequential C-H Functionalization Reactions for the Enantioselective Synthesis of Highly Functionalized 2,3-Dihydrobenzofurans","Journal of the American Chemical Society","2013","135","","6774","6777","10.1021/ja401731d","","","1.54184","CuKα","","0.0384","0.0383","","","0.095","0.0951","","","","","","1.112","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119730","4.8197","0.0002","13.012","0.0004","12.4938","0.0004","90","","97.703","0.002","90","","776.46","0.05","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","0.71073","MoKα","","0.0332","0.0303","","","0.0797","0.0817","","","","","","1.056","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119749","11.6626","0.0005","7.6036","0.0004","16.2246","0.0008","90","","103.564","0.001","90","","1398.63","0.12","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O2 -","- C32 H38 N2 O2 -","- C64 H76 N4 O4 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0489","0.0485","","","0.1458","0.1468","","","","","","1.047","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119751","10.0579","0.0004","9.6933","0.0004","14.7647","0.0006","90","","99.143","0.002","90","","1421.18","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C64 H76 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0618","0.0414","","","0.1122","0.1347","","","","","","1.141","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119752","13.8992","0.001","7.5593","0.0007","14.1873","0.0011","90","","105.376","0.006","90","","1437.3","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O5 -","- C32 H40 N2 O5 -","- C64 H80 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0812","0.0533","","","0.1396","0.1649","","","","","","1.06","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119753","13.691","0.0009","7.6431","0.0005","14.2391","0.0011","90","","106.329","0.005","90","","1429.9","0.18","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 N2 O5 -","- C32 H36 N2 O5 -","- C64 H72 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.1101","0.0674","","","0.1628","0.1824","","","","","","0.981","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119813","14.7405","0.0008","6.7959","0.0004","17.2665","0.0009","90","","100.755","0.003","90","","1699.29","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Cl F N2 O6 -","- C17 H12 Cl F N2 O6 -","- C68 H48 Cl4 F4 N8 O24 -","4","2","","Louis-Philippe B. Beaulieu; Jakob F. Schneider; André B. Charette","Highly Enantioselective Simmons-Smith Fluorocyclopropanation of Allylic Alcohols via the Halogen Scrambling Strategy of Zinc Carbenoids","Journal of the American Chemical Society","2013","135","","7819","7822","10.1021/ja402393w","","","1.54178","CuKα","","0.0588","0.0549","","","0.1517","0.1573","","","","","","1.033","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119820","13.8961","0.0013","11.3528","0.0011","17.3669","0.0016","90","","92.113","0.002","90","","2737.9","0.4","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O5 -","- C30 H30 Br N O5 -","- C120 H120 Br4 N4 O20 -","4","2","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.0573","0.0402","","","0.0923","0.1","","","","","","0.919","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119829","8.056","0.003","11.62","0.004","8.287","0.003","90","","95.035","0.005","90","","772.8","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C28 H36 Br2 N2 O8 S2 -","2","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0306","0.029","","","0.0698","0.0707","","","","","","1.103","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119830","14.184","0.003","7.9032","0.0016","27.865","0.006","90","","90.14","0.03","90","","3123.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O4 S -","- C13 H16 N4 O4 S -","- C104 H128 N32 O32 S8 -","8","4","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.1282","0.1101","","","0.2677","0.2849","","","","","","1.087","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119859","9.2011","0.0004","18.8526","0.0009","9.5779","0.0004","90","","111.256","0.002","90","","1548.4","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Complex 3","","","- C33 H48 N3 Nb -","- C33 H48 N3 Nb -","- C66 H96 N6 Nb2 -","2","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0355","0.0312","","","0.0708","0.0733","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119872","14.3605","0.0009","33.178","0.002","14.9816","0.0009","90","","106.724","0.002","90","","6836.1","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H38 Au2 Cl4 O2.66667 P2 -","- C45 H38 Au2 Cl4 O2.66667 P2 -","- C270 H228 Au12 Cl24 O16 P12 -","6","3","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.0744","0.0492","","","0.1047","0.1158","","","","","","1.048","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119873","9.4359","0.0013","7.5627","0.0011","27.646","0.004","90","","97.115","0.004","90","","1957.7","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N O3 S -","- C23 H16 Br N O3 S -","- C92 H64 Br4 N4 O12 S4 -","4","2","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.1114","0.0965","","","0.2647","0.2746","","","","","","1.123","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119875","11.1217","0.0004","8.7843","0.0004","11.5453","0.0008","90","","112.876","0.008","90","","1039.22","0.11","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br2 N2 O4 -","- C20 H20 Br2 N2 O4 -","- C40 H40 Br4 N4 O8 -","2","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0391","0.0318","","","0.0712","0.102","","","","","","1.148","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119925","5.8036","0.0005","21.9511","0.0018","14.3746","0.0012","90","","95.263","0.005","90","","1823.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","2","","Nicholas A. White; Daniel A. DiRocco; Tomislav Rovis","Asymmetric N-Heterocyclic Carbene Catalyzed Addition of Enals to Nitroalkenes: Controlling Stereochemistry via the Homoenolate Reactivity Pathway To Access δ-Lactams","Journal of the American Chemical Society","2013","135","","8504","8507","10.1021/ja403847e","","","0.71073","MoKα","","0.0659","0.0453","","","0.088","0.0964","","","","","","1.046","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119937","10.5699","0.0003","17.6128","0.0006","10.9505","0.0005","90","","113.061","0.002","90","","1875.7","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H34 B Cl2 F10 N O P -","- C38 H34 B Cl2 F10 N O P -","- C76 H68 B2 Cl4 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0402","0.0396","","","0.1048","0.1056","","","","","","1.045","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119972","9.4592","0.0008","7.737","0.0004","16.0848","0.0014","90","","102.562","0.008","90","","1149","0.16","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 Br N2 O -","- C26 H23 Br N2 O -","- C52 H46 Br2 N4 O2 -","2","1","","Zhong-Lin Tao; Wen-Quan Zhang; Dian-Feng Chen; Arafate Adele; Liu-Zhu Gong","Pd-Catalyzed Asymmetric Allylic Alkylation of Pyrazol-5-ones with Allylic Alcohols: The Role of the Chiral Phosphoric Acid in C-O Bond Cleavage and Stereocontrol","Journal of the American Chemical Society","2013","135","","9255","9258","10.1021/ja402740q","","","0.71073","MoKα","","0.1374","0.0568","","","0.1133","0.1463","","","","","","1.007","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119992","9.2434","0.0005","9.3136","0.0005","14.3104","0.0008","90","","95.331","0.001","90","","1226.64","0.12","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 Br O3 -","- C28 H27 Br O3 -","- C56 H54 Br2 O6 -","2","1","","Robert Panish; Srinivasa R. Chintala; David T. Boruta; Yinzhi Fang; Michael T. Taylor; Joseph M. Fox","Enantioselective Synthesis of Cyclobutanes via Sequential Rh-catalyzed Bicyclobutanation/Cu-catalyzed Homoconjugate Addition","Journal of the American Chemical Society","2013","135","","9283","9286","10.1021/ja403811t","","","0.71073","MoKα","","0.0464","0.0349","","","0.0745","0.0791","","","","","","1.023","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4120086","12.7726","0.0006","9.604","0.0003","12.9081","0.0007","90","","106.88","0.005","90","","1515.19","0.13","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H27 Cl3 N2 O5 S -","- C31 H27 Cl3 N2 O5 S -","- C62 H54 Cl6 N4 O10 S2 -","2","1","","Shunxi Dong; Xiaohua Liu; Yin Zhu; Peng He; Lili Lin; Xiaoming Feng","Organocatalytic Oxyamination of Azlactones: Kinetic Resolution of Oxaziridines and Asymmetric Synthesis of Oxazolin-4-ones","Journal of the American Chemical Society","2013","135","","10026","10029","10.1021/ja404379n","","","0.7107","MoKα","","0.0702","0.0493","","","0.0999","0.1135","","","","","","1.036","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120097","13.414","0.0003","14.9239","0.0004","20.0622","0.0005","90","","102.665","0.002","90","","3918.52","0.17","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H45.5 B Cl0.5 N10 Ni2 O42 W12 -","- C50 H41.5 B Cl0.5 N10 Ni2 O42 W12 -","- C100 H83 B2 Cl N20 Ni4 O84 W24 -","2","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.0843","0.0576","","","0.1286","0.1412","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120122","9.6582","0.0006","14.7827","0.0009","12.9177","0.0008","90","","105.749","0.003","90","","1775.08","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H50 N2 O4 Ru -","- C41 H50 N2 O4 Ru -","- C82 H100 N4 O8 Ru2 -","2","1","","John Hartung; Robert H. Grubbs","Highly Z-Selective and Enantioselective Ring-Opening/Cross-Metathesis Catalyzed by a Resolved Stereogenic-at-Ru Complex","Journal of the American Chemical Society","2013","135","","10183","10185","10.1021/ja4046422","","","0.71073","MoKα","","0.0303","0.0252","","","0.0534","0.0547","","","","","","1.242","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120162","7.67232","0.00018","11.2894","0.0003","22.5206","0.0005","90","","97.592","0.002","90","","1933.54","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","2","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0591","0.0566","","","0.1428","0.1447","","","","","","1.035","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120169","7.3733","0.0003","6.0822","0.0003","9.3401","0.0004","90","","100.71","0.002","90","","411.57","0.03","100","2","99.99","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C20 H20 O4 -","2","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0248","0.0244","","","0.0638","0.067","","","","","","1.099","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120185","7.7456","0.0003","29.8765","0.001","11.2637","0.0004","90","","106.398","0.002","90","","2500.52","0.16","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H38 B Cl F4 N P2 Rh -","- C20 H38 B Cl F4 N P2 Rh -","- C80 H152 B4 Cl4 F16 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0299","0.0271","","","0.064","0.065","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120200","18.342","0.005","20.4","0.006","23.191","0.007","90","","113.17","0.004","90","","7978","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H98 Cl2 O8 P2 Pt -","- C90 H98 Cl2 O8 P2 Pt -","- C360 H392 Cl8 O32 P8 Pt4 -","4","2","","John R. Coombs; Fredrik Haeffner; Laura T. Kliman; James P. Morken","Scope and Mechanism of the Pt-Catalyzed Enantioselective Diboration of Monosubstituted Alkenes","Journal of the American Chemical Society","2013","135","","11222","11231","10.1021/ja4041016","","","0.71073","MoKα","","0.0607","0.0467","","","0.0782","0.0837","","","","","","1.006","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120291","9.9478","0.0019","18.536","0.004","19.126","0.004","90","","104.413","0.003","90","","3415.7","1.2","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Br N O2 S -","- C18 H18 Br N O2 S -","- C144 H144 Br8 N8 O16 S8 -","8","4","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0943","0.0564","","","0.1077","0.1228","","","","","","0.976","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120343","14.036","0.002","9.7315","0.0016","44.837","0.008","90","","96.093","0.002","90","","6089.7","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[KB-1]","","","- C36.75 H29.25 Cl2.25 N2 O3 -","- C36.75 H29.25 Cl2.25 N2 O3 -","- C294 H234 Cl18 N16 O24 -","8","4","","Keith W. Bentley; Christian Wolf","Stereodynamic Chemosensor with Selective Circular Dichroism and Fluorescence Readout for in Situ Determination of Absolute Configuration, Enantiomeric Excess, and Concentration of Chiral Compounds","Journal of the American Chemical Society","2013","135","","12200","12203","10.1021/ja406259p","","","0.71073","MoKα","","0.1388","0.0941","","","0.2204","0.244","","","","","","1.039","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120344","13.0538","0.0014","6.3146","0.0007","32.59","0.003","90","","92.8103","0.0014","90","","2683.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O3 Si -","- C29 H31 N3 O3 Si -","- C116 H124 N12 O12 Si4 -","4","2","","Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source","Journal of the American Chemical Society","2013","135","","12439","12447","10.1021/ja406482q","","","0.71073","MoKα","","0.0542","0.0493","","","0.1019","0.1045","","","","","","1","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120345","8.2912","0.0007","12.8974","0.001","9.5837","0.0008","90","","104.137","0.001","90","","993.79","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C48 H38 N6 O4 -","2","1","","Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source","Journal of the American Chemical Society","2013","135","","12439","12447","10.1021/ja406482q","","","0.71073","MoKα","","0.0392","0.0355","","","0.0677","0.0697","","","","","","1","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120463","6.801","","11.467","","6.882","","90","","94.28","","90","","535.21","","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O6 -","- C9 H13 N O6 -","- C18 H26 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.0373","0.0342","","","0.1042","0.1078","","","","","","0.866","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120464","6.4895","0.0004","12.4868","0.0012","10.0658","0.0009","90","","106.939","0.005","90","","780.28","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C26 H42 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.063","0.0481","","","0.1123","0.1196","","","","","","0.993","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120473","14.981","0.003","17.61","0.003","20.61","0.004","90","","107.525","0.008","90","","5184.9","1.7","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H78 O3 Si8 -","- C26 H50.6667 O2 Si5.33333 -","- C156 H304 O12 Si32 -","6","3","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.063","","","","0.1273","","","","","","1.01","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120481","14.1424","0.0001","26.0428","0.0002","14.2684","0.0001","90","","107.754","0.001","90","","5004.88","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)]3[Ru@Ge12]*4py","","- C74 H128 Ge12 K3 N10 O18 Ru -","- C74 H128 Ge12 K3 N10 O18 Ru -","- C148 H256 Ge24 K6 N20 O36 Ru2 -","2","1","","Espinoza-Quintero, Gabriela; Duckworth, Jack C. A.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Synthesis and characterization of [ru@ge12](3-): an endohedral 3-connected cluster.","Journal of the American Chemical Society","2014","136","4","1210","1213","10.1021/ja411280v","","","1.5418","CuKα","","0.0615","0.0574","","","0.1552","0.1621","","","","","","1.022","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120492","10.6188","0.0007","21.8666","0.0015","21.4263","0.0013","90","","95.593","0.002","90","","4951.4","0.6","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H72 Li4 N4 O4 -","- C52 H72 Li4 N4 O4 -","- C208 H288 Li16 N16 O16 -","4","2","","Bruneau, Angela M.; Liou, Lara; Collum, David B.","Solution structures of lithium amino alkoxides used in highly enantioselective 1,2-additions.","Journal of the American Chemical Society","2014","136","7","2885","2891","10.1021/ja412210d","","","0.71073","MoKα","","0.0491","0.0339","","","0.0738","0.081","","","","","","1.051","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120553","11.345","0.0011","5.1744","0.0005","17.219","0.0017","90","","91.318","0.002","90","","1010.55","0.17","15","2","15","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","0.41328","synchrotron","","0.046","0.0378","","","0.0864","0.0919","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120624","8.306","0.005","6.569","0.004","21.01","0.011","90","","100.631","0.006","90","","1126.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.1212","0.0675","","","0.1629","0.18","","","","","","0.872","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120627","9.7575","0.0017","10.35","0.0018","11.999","0.002","90","","111.993","0.004","90","","1123.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N2 O3 S -","- C27 H23 N2 O3 S -","- C54 H46 N4 O6 S2 -","2","1","","Gawade, Sagar Ashok; Huple, Deepak B.; Liu, Rai-Shung","Zn(II)- or Ag(I)-Catalyzed 1,4-Metathesis Reactions between 3-En-1-ynamides and Nitrosoarenes.","Journal of the American Chemical Society","2014","136","8","2978","","10.1021/ja412634w","","","0.71073","MoKα","","0.0697","0.0455","","","0.0858","0.0939","","","","","","1.007","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120639","11.0386","0.0002","10.5787","0.0002","13.2111","0.0002","90","","95.315","0.001","90","","1536.08","0.05","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H22 B F10 Fe P -","- C36 H22 B F10 Fe P -","- C72 H44 B2 F20 Fe2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0293","0.0286","","","0.0769","0.0783","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120641","7.88","0.0001","9.68","0.0002","16.237","0.0003","90","","101.258","0.001","90","","1214.7","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 Fe O P -","- C29 H31 Fe O P -","- C58 H62 Fe2 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.028","0.0277","","","0.0724","0.073","","","","","","1.064","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120684","5.0497","0.0005","9.2653","0.001","13.2307","0.0016","90","","98.504","0.007","90","","612.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C22 H28 N4 O8 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.0451","0.0373","","","0.0803","0.0838","","","","","","1.024","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120685","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120758","15.289","0.003","9.437","0.0018","25.086","0.005","90","","102.377","0.003","90","","3535.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H29 Br2 N O7 -","- C41 H29 Br2 N O7 -","- C82 H58 Br4 N2 O14 -","2","1","","Youcai Hu; Malia B. Potts; Dominic Colosimo; Mireya L. Herrera-Herrera; Aaron G. Legako; Muhammed Yousufuddin; Michael A. White; John B. MacMillan","Discoipyrroles A-D: Isolation, Structure Determination, and Synthesis of Potent Migration Inhibitors from Bacillus hunanensis","Journal of the American Chemical Society","2013","135","","13387","13392","10.1021/ja403412y","","","0.71073","MoKα","","0.0623","0.0449","","","0.0902","0.0967","","","","","","1.004","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120772","10.816","0.003","19.146","0.005","12.664","0.003","90","","114.04","0.004","90","","2395","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","MnN5Me-Mo(CN)7","","","- C37 H66 Mn2 Mo N17 O8 -","- C37 H66 Mn2 Mo N17 O8 -","- C74 H132 Mn4 Mo2 N34 O16 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0481","0.0427","","","0.0983","0.1025","","","","","","1.004","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120777","10.8332","0.0002","6.1272","0.0001","15.5015","0.0003","90","","90.022","0.001","90","","1028.95","0.03","173.2","","173.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","John F. Briones; Huw M. L. Davies","Enantioselective Gold(I)-Catalyzed Vinylogous [3 + 2] Cycloaddition between Vinyldiazoacetates and Enol Ethers","Journal of the American Chemical Society","2013","135","","13314","13317","10.1021/ja407179c","","","1.54184","CuKα","","0.0323","0.0322","","","0.0838","0.0839","","","","","","1.034","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120805","10.321","0.0001","21.836","0.0003","10.407","0.0002","90","","94.612","0.001","90","","2337.82","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H60 Br Cl4 N4 Ni -","- C46 H60 Br Cl4 N4 Ni -","- C92 H120 Br2 Cl8 N8 Ni2 -","2","1","","Rebecca C. Poulten; Michael J. Page; Andrés G. Algarra; Jennifer J. Le Roy; Isidoro López; Emma Carter; Antoni Llobet; Stuart A. Macgregor; Mary F. Mahon; Damien M. Murphy; Muralee Murugesu; Michael K. Whittlesey","Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes","Journal of the American Chemical Society","2013","135","","13640","13643","10.1021/ja407004y","","","0.71073","MoKα","","0.0567","0.0365","","","0.0842","0.0935","","","","","","1.018","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120823","16.1372","0.0004","6.3565","0.0002","20.2635","0.0006","90","","97.087","0.002","90","","2062.67","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H50 O3 -","- C56 H50 O3 -","- C112 H100 O6 -","2","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.2126","0.0859","","","0.189","0.2508","","","","","","0.945","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120845","8.8743","0.0014","14.678","0.002","11.0685","0.0018","90","","110.243","0.002","90","","1352.7","0.4","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O6 -","- C30 H42 N2 O6 -","- C60 H84 N4 O12 -","2","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.0579","0.047","","","0.12","0.1264","","","","","","1.002","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120847","9.8498","0.0003","5.9404","0.0002","18.9767","0.0007","90","","92.249","0.002","90","","1109.5","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C44 H60 N4 O12 -","2","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","1.54178","CuKα","","0.0455","0.0389","","","0.0999","0.1041","","","","","","1.082","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120849","12.723","0.0018","17.163","0.002","12.9667","0.0018","90","","115.038","0.001","90","","2565.4","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H39 F24 Fe N7 Sb2 -","- C42 H39 F24 Fe N7 Sb2 -","- C84 H78 F48 Fe2 N14 Sb4 -","2","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","0.71073","MoKα","","0.0241","0.0229","","","0.0551","0.0558","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120892","6.577","0.0002","13.6444","0.0005","8.0893","0.0003","90","","91.519","0.003","90","","725.67","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N2 O4 -","- C36 H38 N2 O4 -","- C36 H38 N2 O4 -","1","0.5","","Changming Qin; Huw M. L. Davies","Rh2(R-TPCP)4- Catalyzed Enantioselective [3+2]-Cycloaddition between Nitrones and Vinyldiazoacetates","Journal of the American Chemical Society","2013","135","","14516","14519","10.1021/ja4069003","","","1.54178","CuKα","","0.0237","0.0234","","","0.0596","0.0599","","","","","","1.078","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120900","14.2312","0.0015","12.8462","0.0014","14.9347","0.0016","90","","112.251","0.002","90","","2527","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H44 F11 N3 P2 Pd -","- C58 H44 F11 N3 P2 Pd -","- C116 H88 F22 N6 P4 Pd2 -","2","1","","Flavio S. P. Cardoso; Khalil A. Abboud; Aaron Aponick","Design, Preparation, and Implementation of an Imidazole-Based Chiral Biaryl P,N-Ligand for Asymmetric Catalysis","Journal of the American Chemical Society","2013","135","","14548","14551","10.1021/ja407689a","","","0.71073","MoKα","","0.0243","0.0218","","","0.0521","0.0527","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120906","9.785","0.003","9.651","0.003","14.06","0.004","90","","101.86","0.006","90","","1299.4","0.7","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O2 -","- C30 H27 Br N2 O2 -","- C60 H54 Br2 N4 O4 -","2","1","","Lizhu Gao; Byung Chul Kang; Do Hyun Ryu","Catalytic Asymmetric Insertion of Diazoesters into Aryl-CHO Bonds: Highly Enantioselective Construction of Chiral All-Carbon Quaternary Centers","Journal of the American Chemical Society","2013","135","","14556","14559","10.1021/ja408196g","","","0.71073","MoKα","","0.1988","0.0519","","","0.09","0.143","","","","","","0.705","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120920","9.3341","0.0004","18.7764","0.0008","10.4687","0.0004","90","","107.04","0.001","90","","1754.21","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H25 B F15 N Si2 Zr -","- C32 H25 B F15 N Si2 Zr -","- C64 H50 B2 F30 N2 Si4 Zr2 -","2","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0352","0.032","","","0.0827","0.0847","","","","","","1.034","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120928","16.861","0.002","12.0404","0.0014","21.422","0.003","90","","105.626","0.002","90","","4188.2","0.9","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H52 Au Cl3 F6 N5 Sb -","- C34.5 H52 Au Cl3 F6 N5 Sb -","- C138 H208 Au4 Cl12 F24 N20 Sb4 -","4","2","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0607","0.0545","","","0.1333","0.1381","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120932","9.7961","0.0008","16.7771","0.0013","12.9004","0.001","90","","110.982","0.002","90","","1979.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H53 Au F6 N5 Sb -","- C37 H53 Au F6 N5 Sb -","- C74 H106 Au2 F12 N10 Sb2 -","2","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0439","0.0381","","","0.0821","0.0841","","","","","","1.004","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120948","18.3361","0.0004","10.44041","0.00019","23.7115","0.0005","90","","95.4604","0.0011","90","","4518.65","0.16","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.5 H53 Cl N8 O P -","- C49.5 H53 Cl N8 O P -","- C198 H212 Cl4 N32 O4 P4 -","4","2","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0749","","","","0.2232","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120949","14.52","0.02","22.794","0.003","14.8","0.06","90","","113.303","0.003","90","","4499","19","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H56 Cl N8 O P -","- C52 H56 Cl N8 O P -","- C208 H224 Cl4 N32 O4 P4 -","4","2","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0583","","","","0.173","","","","","","1.091","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120977","13.9764","0.0011","6.0441","0.0005","14.2367","0.0011","90","","105.311","0.0009","90","","1159.96","0.16","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Gregory L. Lackner; Kyle W. Quasdorf; Larry E. Overman","Direct Construction of Quaternary Carbons from Tertiary Alcohols via Photoredox-Catalyzed Fragmentation of tert-Alkyl N-Phthalimidoyl Oxalates","Journal of the American Chemical Society","2013","135","","15342","15345","10.1021/ja408971t","","","0.71073","MoKα","","0.0505","0.0402","","","0.0949","0.1005","","","","","","1.026","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121003","10.6788","0.0012","20.598","0.002","13.0284","0.0015","90","","96.784","0.004","90","","2845.7","0.5","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H43 F3 N3 O3 P Pd S -","- C55 H43 F3 N3 O3 P Pd S -","- C110 H86 F6 N6 O6 P2 Pd2 S2 -","2","1","","Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls","Journal of the American Chemical Society","2013","135","","15730","15733","10.1021/ja4087819","","","0.71073","MoKα","","0.0823","0.0551","","","0.1202","0.1308","","","","","","0.929","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121034","6.211","0.0018","10.058","0.003","7.165","0.002","90","","93.614","0.004","90","","446.7","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","DMA-Mn-N3-173K","","","- C2 H8 Mn N10 -","- C2 H8 Mn N10 -","- C4 H16 Mn2 N20 -","2","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0425","0.0407","","","0.1171","0.119","","","","","","1.166","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121092","15.0973","0.0009","12.2302","0.0007","18.9196","0.001","90","","90.396","0.002","90","","3493.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H15 F3 I N O2 S -","- C16 H15 F3 I N O2 S -","- C128 H120 F24 I8 N8 O16 S8 -","8","4","","Ling Chu; Xiao-Chen Wang; Curtis E. Moore; Arnold L. Rheingold; Jin-Quan Yu","Pd-Catalyzed Enantioselective C-H Iodination: Asymmetric Synthesis of Chiral Diarylmethylamines","Journal of the American Chemical Society","2013","135","","16344","16347","10.1021/ja408864c","","x-ray","0.71073","MoKα","K-L~3~","0.1026","0.0764","","","0.2088","0.2247","","","","","","1.087","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121098","12.8838","0.0001","19.4546","0.0002","15.0458","0.0002","90","","102.582","0.0004","90","","3680.66","0.07","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H38 F6 N3 O3 P S -","- C36 H38 F6 N3 O3 P S -","- C144 H152 F24 N12 O12 P4 S4 -","4","2","","Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon","Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction","Journal of the American Chemical Society","2013","135","","16348","16351","10.1021/ja409121s","","","0.71073","MoKα","","0.0489","0.0391","","0.0891","0.0841","0.0891","","","","","","0.9649","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121099","10.48","0.001","8.5662","0.0008","11.708","0.001","90","","97.232","0.003","90","","1042.71","0.17","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C48 H42 Br2 N4 O2 -","2","1","","Pradip Maity; Ryan P. Pemberton; Dean J. Tantillo; Uttam K. Tambar","Brønsted Acid Catalyzed Enantioselective Indole Aza-Claisen Rearrangement Mediated by an Arene CH-O Interaction","Journal of the American Chemical Society","2013","135","","16380","16383","10.1021/ja4095473","","","0.71073","MoKα","","0.0368","0.0293","","","0.0715","0.0744","","","","","","0.893","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121127","13.1473","0.0012","15.675","0.003","15.485","0.002","90","","107.286","0.01","90","","3047.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C80 H80 F24 P4 S48 -","4","2","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1073","0.0549","","","0.1188","0.1451","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121128","13.1431","0.0016","15.707","0.002","15.474","0.003","90","","107.326","0.014","90","","3049.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C80 H80 F24 P4 S48 -","4","2","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0844","0.0491","","","0.1173","0.1385","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121193","9.2218","0.0003","13.556","0.0005","9.316","0.0003","90","","117.519","0.001","90","","1032.83","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C46 H46 Cr2 N2 O6 Pd2 -","2","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0147","0.0141","","","0.0365","0.0367","","","","","","1.079","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121194","9.503","0.001","13.657","0.001","15.772","0.001","90","","90.096","0.001","90","","2046.9","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C92 H92 Cr4 N4 O12 Pd4 -","4","2","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71069","MoKα","","0.0423","0.0404","","","0.0898","0.0912","","","","","","1.096","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121195","9.4903","0.0016","13.664","0.002","15.769","0.003","90","","90.209","0.004","90","","2044.8","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C92 H92 Cr4 N4 O12 Pd4 -","4","2","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.076","0.0705","","","0.2075","0.2118","","","","","","1.058","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121229","10.8826","0.0002","10.0476","0.0002","12.753","0.0002","90","","113.369","0.001","90","","1280.08","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O9 -","- C25 H28 N4 O9 -","- C50 H56 N8 O18 -","2","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.0259","0.0258","","","0.0678","0.0679","","","","","","1.062","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121242","5.779","0.0008","10.64","0.0013","12.493","0.0015","90","","94.47","0.02","90","","765.84","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C14H22BrClN2O","","","- C14 H22 Br Cl N2 O -","- C14 H22 Br Cl N2 O -","- C28 H44 Br2 Cl2 N4 O2 -","2","1","","Lydia J. Rono; Hatice G. Yayla; David Y. Wang; Michael F. Armstrong; Robert R. Knowles","Enantioselective Photoredox Catalysis Enabled by Proton-Coupled Electron Transfer: Development of an Asymmetric Aza-Pinacol Cyclization","Journal of the American Chemical Society","2013","135","","17735","17738","10.1021/ja4100595","","","1.54178","CuKα","","0.0257","0.0255","","","0.0663","0.0665","","","","","","1.08","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121330","6.081","0.0007","34.245","0.004","7.4405","0.0009","90","","99.28","0.009","90","","1529.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H32 N8 O7 -","- C32 H32 N8 O7 -","- C64 H64 N16 O14 -","2","1","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","","1.54178","CuKα","","0.0542","0.0472","","","0.1151","0.119","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121331","8.377","0.004","5.859","0.002","15.047","0.005","90","","103.08","0.02","90","","719.4","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","2","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","x-ray","1.54178","CuKα","K-L~3~","0.0314","0.0284","","","0.0768","0.0802","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121345","15.1153","0.0007","29.8987","0.0014","17.6866","0.0007","90","","105.789","0.002","90","","7691.5","0.6","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 Ce Cl Li3 N6 O6 -","- C72 H72 Ce Cl Li3 N6 O6 -","- C288 H288 Ce4 Cl4 Li12 N24 O24 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0695","0.0567","","","0.1462","0.1534","","","","","","1.061","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121350","25.0846","0.0012","11.535","0.0005","28.3393","0.0013","90","","111.048","0.002","90","","7652.9","0.6","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H76 Ce Li3 N O11 S -","- C81 H76 Ce Li3 N O11 S -","- C324 H304 Ce4 Li12 N4 O44 S4 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0449","0.0408","","","0.1055","0.1081","","","","","","0.888","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121351","24.9724","0.0011","11.3739","0.0005","28.3222","0.0012","90","","111.236","0.002","90","","7498.2","0.6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H76 Ce Li3 N3 O11 -","- C80 H76 Ce Li3 N3 O11 -","- C320 H304 Ce4 Li12 N12 O44 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0615","0.0449","","","0.093","0.0978","","","","","","1.011","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121363","8.309","0.0008","8.0817","0.0007","8.705","0.0008","90","","108.227","0.001","90","","555.22","0.09","100","","100","","","","","","","","methanol","2","P 1 21 1","P 2yb","4","","","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","Mo-Kα","","0.0381","0.036","","","0.1003","0.1029","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121396","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121417","10.1012","0.0004","9.8645","0.0004","14.7218","0.0006","90","","92.917","0.003","90","","1465.03","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C60 H72 Cl4 N4 O8 -","4","2","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0787","0.0597","","","0.1402","0.1505","","","","","","1.03","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121457","7.0876","0.0017","8.3046","0.0019","10.113","0.002","90","","109.547","0.014","90","","560.9","0.2","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 Br2 O3 -","- C11 H10 Br2 O3 -","- C22 H20 Br4 O6 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","0.71075","MoKα","","","0.0532","","","","0.0868","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121474","9.0914","0.0004","10.2457","0.0005","11.6359","0.0006","90","","92.762","0.003","90","","1082.6","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O5 S -","- C23 H30 N2 O5 S -","- C46 H60 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.0644","0.0476","","","0.1254","0.1515","","","","","","0.761","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121476","5.0571","0.0002","21.8253","0.0008","15.7019","0.0006","90","","92.918","0.002","90","","1730.81","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","TAF89C","toste97","","- C21 H17 Br F N O -","- C21 H17 Br F N O -","- C84 H68 Br4 F4 N4 O4 -","4","2","","Talbot, Eric P. A.; Fernandes, Talita de A; McKenna, Jeffrey M.; Toste, F. Dean","Asymmetric palladium-catalyzed directed intermolecular fluoroarylation of styrenes.","Journal of the American Chemical Society","2014","136","11","4101","4104","10.1021/ja412881j","","","0.71073","MoKα","","0.0349","0.0291","","","0.0518","0.0531","","","","","","1.014","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121485","13.3232","0.0007","24.2827","0.0011","15.9879","0.0008","90","","109.445","0.0016","90","","4877.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","hb123","","","- C38 H38 F6 Ir N4 O2 P -","- C38 H38 F6 Ir N4 O2 P -","- C152 H152 F24 Ir4 N16 O8 P4 -","4","2","","Huo, Haohua; Fu, Chen; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Substitutionally Labile yet Stereochemically Stable Chiral-at-Metal Iridium(III) Complex.","Journal of the American Chemical Society","2014","136","8","2990","2993","10.1021/ja4132505","","","0.71073","MoKα","","0.0328","0.0305","","","0.072","0.0728","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121496","19.8739","0.0008","10.2459","0.0005","24.6435","0.0009","90","","96.599","0.003","90","","4984.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N O P Si -","- C25 H27 Br N O P Si -","- C200 H216 Br8 N8 O8 P8 Si8 -","8","4","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","1.54178","CuKα","","0.0999","0.0626","","","0.153","0.1717","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121497","5.3586","0.0005","15.5598","0.0015","21.571","0.002","90","","94.462","0.005","90","","1793.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C88 H80 N4 O4 P4 -","4","2","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.0305","0.0297","","","0.0785","0.0791","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121505","9.4299","0.0005","10.1574","0.0005","12.4173","0.0006","90","","91.865","0.007","90","","1188.74","0.1","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br3 O4 -","- C26 H25 Br3 O4 -","- C52 H50 Br6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0328","0.0275","","","0.0539","0.067","","","","","","1.089","","","","has coordinates","275213","2022-05-08","20:58:49",""
"4121507","6.4145","0.0003","14.2125","0.0006","15.8067","0.0007","90","","100.228","0.007","90","","1418.14","0.11","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br3 Cl3 O4 -","- C27 H26 Br3 Cl3 O4 -","- C54 H52 Br6 Cl6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0298","0.0258","","","0.0459","0.0484","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121520","16.6474","0.0007","34.4793","0.0014","19.1312","0.0008","90","","95.85","0.002","90","","10923.9","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 Si -","- C20 H34 O5 Si -","- C400 H680 O100 Si20 -","20","10","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.061","0.0551","","","0.1469","0.1564","","","","","","1.069","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121538","9.7952","0.0005","19.2316","0.0011","12.7047","0.0007","90","","111.795","0.001","90","","2222.2","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Dy N3 O2 -","- C44 H63 Dy N3 O2 -","- C88 H126 Dy2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0464","0.0396","","","0.0853","0.0892","","","","","","1.027","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121539","9.7539","0.0006","19.1763","0.0012","12.7327","0.0008","90","","112.144","0.001","90","","2205.9","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Er N3 O2 -","- C44 H63 Er N3 O2 -","- C88 H126 Er2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0376","0.0336","","","0.0829","0.0879","","","","","","1.048","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121573","11.4485","0.0006","5.9142","0.0003","17.0352","0.0008","90","","91.076","0.003","90","","1153.23","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27.58 H23.16 Cl2.16 F O -","- C27.581 H23.162 Cl2.162 F O -","- C55.162 H46.324 Cl4.324 F2 O2 -","2","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.0773","0.0499","","","0.1202","0.129","","","","","","0.957","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121586","10.8507","0.0003","16.7356","0.0005","12.566","0.0004","90","","111.077","0.001","90","","2129.23","0.11","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","2","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0296","0.0291","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121619","7.5652","0.0013","14.8496","0.0019","8.9503","0.0015","90","","100.665","0.006","90","","988.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Wilde, Nathan C.; Isomura, Minetaka; Mendoza, Abraham; Baran, Phil S.","Two-phase synthesis of (-)-taxuyunnanine d.","Journal of the American Chemical Society","2014","136","13","4909","4912","10.1021/ja501782r","","","0.71073","MoKα","","0.0583","0.0467","","","0.0904","0.0966","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121625","8.2053","0.0005","32.8177","0.0019","8.8796","0.0005","90","","92.858","0.003","90","","2388.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 O14 S4 Zn -","- C14 H26 O14 S4 Zn -","- C56 H104 O56 S16 Zn4 -","4","2","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","","0.71073","MoKα","","0.083","0.0598","","","0.1419","0.1536","","","","","","1.025","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121657","5.6372","0.0008","8.3368","0.0012","23.552","0.003","90","","93.317","0.002","90","","1105","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O -","- C27 H23 Br N2 O -","- C54 H46 Br2 N4 O2 -","2","1","","Matthew, Smitha C.; Glasspoole, Ben W.; Eisenberger, Patrick; Crudden, Cathleen M.","Synthesis of enantiomerically enriched triarylmethanes by enantiospecific suzuki-miyaura cross-coupling reactions.","Journal of the American Chemical Society","2014","136","16","5828","5831","10.1021/ja412159g","","","0.71073","MoKα","","0.0429","0.0325","","","0.0635","0.0671","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121659","6.8166","0.0001","8.3757","0.0001","15.2655","0.0002","90","","94.829","0.001","90","","868.47","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0288","","","0.0743","0.0749","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121661","19.623","0.003","19.38","0.002","28.572","0.004","90","","91.685","0.004","90","","10861","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C396 H552 N24 O108 Si12 -","12","6","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.1112","0.0741","","","0.1852","0.201","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121719","9.6339","0.0008","10.5744","0.0007","9.9361","0.0009","90","","92.246","0.007","90","","1011.44","0.14","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl-2-(benzyloxy)-4-(2,5-dioxopyrrolidin-1-yl) cyclopentane-1,1-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C40 H46 N2 O14 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","x-ray","1.54186","CuKα","","0.0339","0.0329","","","0.0898","0.0903","","","","","","1.052","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121720","9.4821","0.0009","9.4938","0.0007","14.3422","0.0019","90","","103.497","0.009","90","","1255.4","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl3 Cu1.5 N3 O15 -","- C17 H32 Cl2 Cu N2 O12 -","- C34 H64 Cl4 Cu2 N4 O24 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","","1.54186","CuKα","","0.0476","0.0459","","","0.1254","0.1271","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121739","9.814","0.002","5.6952","0.0011","16.213","0.003","90","","101.13","0.03","90","","889.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O -","- C23 H23 N O -","- C46 H46 N2 O2 -","2","1","","He, Ruoyu; Jin, Xiqing; Chen, Hui; Huang, Zhi-Tang; Zheng, Qi-Yu; Wang, Congyang","Mn-catalyzed three-component reactions of imines/nitriles, grignard reagents, and tetrahydrofuran: an expedient access to 1,5-amino/keto alcohols.","Journal of the American Chemical Society","2014","136","18","6558","6561","10.1021/ja503520t","","","0.71073","MoKα","","0.0935","0.0783","","","0.1257","0.133","","","","","","1.164","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121741","12.73","0.0012","49.192","0.004","13.2149","0.0012","90","","92.641","0.002","90","","8266.6","1.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C342 H284 Cd4 N32 O44 Pb4 S10 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0838","0.0718","","","0.1742","0.1799","","","","","","1.033","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121831","18.864","0.003","17.514","0.003","20.244","0.003","90","","99.656","0.002","90","","6593.5","1.8","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","4(Sc2@C66)/1.42(C8H10)/1.00(CS2)/0.58(C6H14)","","","- C279.84 H22.32 S2 Sc8 -","- C279.84 H22.32 S2 Sc8 -","- C559.68 H44.64 S4 Sc16 -","2","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Guo, Jing Dong; Waelchli, Markus; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Maeda, Yutaka; Hasegawa, Tadashi; Lu, Xing; Akasaka, Takeshi","Sc2@C66 Revisited: An Endohedral Fullerene with Scandium Ions Nestled within Two Unsaturated Linear Triquinanes.","Journal of the American Chemical Society","2014","136","21","7611","7614","10.1021/ja5035649","","","0.71073","MoKα","","0.0687","0.0622","","","0.1562","0.1624","","","","","","1.021","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121832","7.2753","0.0001","7.7473","0.0001","22.6981","0.0004","90","","94.037","0.001","90","","1276.18","0.03","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O4 -","- C30 H27 Br O4 -","- C60 H54 Br2 O8 -","2","1","","Masutomi, Koji; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Cycloisomerization of 1,6-Enynes to Bicyclo[3.1.0]hexanes Catalyzed by Rhodium and Benzoic Acid.","Journal of the American Chemical Society","2014","136","21","7627","7630","10.1021/ja504048u","","","1.54187","CuKα","","0.0309","0.0297","","","0.075","0.0772","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121839","10.0238","0.0006","11.7238","0.0007","12.1838","0.0008","90","","111.701","0.002","90","","1330.33","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H21 Au Cl2 F4 I P -","- C26 H21 Au Cl2 F4 I P -","- C52 H42 Au2 Cl4 F8 I2 P2 -","2","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0135","0.0134","","","0.032","0.0321","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121851","10.3833","0.0011","7.9614","0.0008","11.2213","0.0012","90","","106.41","0.004","90","","889.83","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","141F2","","","- C23 H17 Br O -","- C23 H17 Br O -","- C46 H34 Br2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0586","0.0394","","","0.0694","0.0744","","","","","","1.048","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121852","8.5521","0.0002","8.5649","0.0003","15.8893","0.0005","90","","103.684","0.0014","90","","1130.82","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C52 H40 F8 N4 O4 -","2","1","","Xiao, Kai-Jiong; Lin, David W.; Miura, Motofumi; Zhu, Ru-Yi; Gong, Wei; Wasa, Masayuki; Yu, Jin-Quan","Palladium(II)-Catalyzed Enantioselective C(sp(3))-H Activation Using a Chiral Hydroxamic Acid Ligand.","Journal of the American Chemical Society","2014","136","22","8138","","10.1021/ja504196j","","x-ray","1.54178","CuKα","","0.0265","0.0253","","","0.0637","0.0645","","","","","","1.019","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121938","8.852","0.005","9.106","0.005","9.389","0.005","90","","113.263","0.009","90","","695.3","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O -","- C15 H18 Cl N O -","- C30 H36 Cl2 N2 O2 -","2","1","","Curran, Dennis P.; Guthrie, David B.; Geib, Steven J.","How do analogous alpha-chloroenamides and alpha-iodoenamides give different product distributions in 5-endo radical cyclizations?","Journal of the American Chemical Society","2008","130","26","8437","8445","10.1021/ja8012962","","x-ray","0.71073","MoKα","","0.0643","0.0511","","","0.1313","0.1386","","","","","","0.999","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121942","10.7267","0.0011","8.0894","0.0009","11.6346","0.0013","90","","100.927","0.002","90","","991.26","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O2 -","- C23 H24 Cl N O2 -","- C46 H48 Cl2 N2 O4 -","2","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.037","0.0341","","","0.0789","0.0812","","","","","","0.988","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121978","14.5256","0.0003","6.9706","0.0002","24.6411","0.0006","90","","92.089","0.001","90","","2493.31","0.11","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","4","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0297","0.0279","","","0.0682","0.0695","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121982","10.0478","0.0003","7.4742","0.0002","10.4273","0.0003","90","","117.995","0.001","90","","691.45","0.03","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.025","0.0248","","","0.0656","0.0659","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121983","10.0586","0.0015","7.4726","0.0011","10.4252","0.0015","90","","117.968","0.005","90","","692.08","0.18","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0267","0.0264","","","0.0681","0.0683","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121986","10.5863","0.0005","7.2819","0.0003","10.7905","0.0005","90","","112.547","0.002","90","","768.24","0.06","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0249","0.0248","","","0.064","0.0642","","","","","","1.046","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121987","10.5871","0.0002","7.2845","0.0002","10.7784","0.0003","90","","112.488","0.002","90","","768.04","0.04","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0279","0.0263","","","0.0649","0.066","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122020","8.4495","0.0007","5.1247","0.0004","14.4009","0.0012","90","","95.193","0.004","90","","621.02","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 Br F N O -","- C12 H15 Br F N O -","- C24 H30 Br2 F2 N2 O2 -","2","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0361","0.0343","","","0.0842","0.0856","","","","","","1.092","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122043","11.8792","0.0002","17.618","0.0002","12.1326","0.0002","90","","112.627","0.001","90","","2343.76","0.06","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H46 B F10 N O2 P2 Si -","- C49 H46 B F10 N O2 P2 Si -","- C98 H92 B2 F20 N2 O4 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0535","0.0479","","","0.1024","0.1073","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122052","9.07","0.0007","10.0886","0.0008","23.115","0.0018","90","","91.0402","0.0009","90","","2114.8","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","Kou, Kevin G. M.; Le, Diane N.; Dong, Vy M.","Rh(I)-catalyzed intermolecular hydroacylation: enantioselective cross-coupling of aldehydes and ketoamides.","Journal of the American Chemical Society","2014","136","26","9471","9476","10.1021/ja504296x","","","0.71073","MoKα","","0.0368","0.0334","","","0.0844","0.0865","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122059","9.5211","0.0002","19.4189","0.0004","10.1228","0.0002","90","","96.4133","0.001","90","","1859.88","0.07","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O3 S -","- C19 H20 Cl N O3 S -","- C76 H80 Cl4 N4 O12 S4 -","4","2","","Ebe, Yusuke; Nishimura, Takahiro","Iridium-catalyzed annulation of salicylimines with 1,3-dienes.","Journal of the American Chemical Society","2014","136","26","9284","9287","10.1021/ja504990a","","","1.54187","CuKα","","0.0804","0.0589","","","0.13","0.1451","","","","","","0.972","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122131","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122139","11.0837","0.0014","5.761","0.0007","18.212","0.002","90","","105.185","0.0016","90","","1122.3","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br Cl3 O2 -","- C22 H24 Br Cl3 O2 -","- C44 H48 Br2 Cl6 O4 -","2","1","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.0482","0.0425","","","0.0982","0.1049","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122169","10.1527","0.0012","16.0379","0.0018","14.2362","0.0016","90","","110.774","0.002","90","","2167.3","0.4","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","cmpd1c","cmpd1c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0319","0.0277","","","0.0632","0.0655","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122179","12.3334","0.0016","18.228","0.002","16.578","0.002","90","","90.162","0.002","90","","3726.9","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cmpd9a","cmpd9a","","- C36 H64 N6 O Ta2 -","- C36 H64 N6 O Ta2 -","- C144 H256 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0463","0.0384","","","0.0804","0.0834","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122201","15.7792","0.0009","13.6619","0.0008","16.2153","0.001","90","","117.712","0.001","90","","3094.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H76 O17 S4 -","- C65 H76 O17 S4 -","- C130 H152 O34 S8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1019","0.082","","","0.2057","0.2207","","","","","","1.018","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122202","9.0474","0.0008","18.2579","0.0016","9.0807","0.0009","90","","117.088","0.002","90","","1335.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0568","0.041","","","0.078","0.0838","","","","","","0.886","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122213","14.2234","0.0001","17.8038","0.0002","14.2288","0.0001","90","","90.588","0.001","90","","3602.98","0.05","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H96 B3 Li N8 O7 U2 -","- C70 H96 B3 Li N8 O7 U2 -","- C140 H192 B6 Li2 N16 O14 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","1.54184","CuKα","","0.0406","0.0388","","","0.1003","0.1021","","","","","","1.061","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122226","11.636","0.002","9.2863","0.0018","20.039","0.004","90","","105.279","0.004","90","","2088.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 3b","","","- C22 H26 Br N O3 -","- C22 H26 Br N O3 -","- C88 H104 Br4 N4 O12 -","4","2","","Di Iorio, Nicola; Righi, Paolo; Mazzanti, Andrea; Mancinelli, Michele; Ciogli, Alessia; Bencivenni, Giorgio","Remote Control of Axial Chirality: Aminocatalytic Desymmetrization of N-Arylmaleimides via Vinylogous Michael Addition.","Journal of the American Chemical Society","2014","136","29","10250","10253","10.1021/ja505610k","","","0.71073","MoKα","","0.0787","0.062","","","0.1527","0.1616","","","","","","0.957","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122282","11.6724","0.0011","24.209","0.002","22.364","0.002","90","","103.811","0.003","90","","6136.8","0.9","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C137 H77 Cl16 N16 O8 -","- C137 H77 Cl16 N16 O8 -","- C274 H154 Cl32 N32 O16 -","2","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0871","0.0626","","","0.1601","0.1787","","","","","","1.005","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122316","6.843","0.001","7.27","0.001","17.736","0.003","90","","98.87","0.01","90","","871.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3S,5R)-3-(4-Methoxyphenyl)-1-oxospiro[4.5]decan-7- ylidene]malononitrile","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0468","0.0376","","","0.0932","0.0988","","","","","","1.035","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122317","8.4215","0.0009","6.9754","0.0008","13.365","0.002","90","","96.979","0.002","90","","779.29","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(1S,4S,5R,6S)-5-Formyl-4-methyl-6-phenylbicyclo[2.2.2] octan-2-ylidene]malononitrile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0336","0.0328","","","0.0878","0.0885","","","","","","1.045","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122327","12.281","0.003","13.661","0.003","14.407","0.003","90","","92.245","0.004","90","","2415.2","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","1","","Ohmatsu, Kohsuke; Kiyokawa, Mari; Ooi, Takashi","Correction to ""chiral 1,2,3-triazoliums as new cationic organic catalysts with anion-recognition ability: application to asymmetric alkylation of oxindoles"".","Journal of the American Chemical Society","2014","136","31","11195","","10.1021/ja506545z","","","0.71073","MoKα","","0.0409","0.0387","","","0.0993","0.1016","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122336","10.1486","0.0002","19.1068","0.0003","10.4402","0.0002","90","","116.444","0.001","90","","1812.61","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H56 Fe O3 P4 -","- C35 H56 Fe O3 P4 -","- C70 H112 Fe2 O6 P8 -","2","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Mechanistic studies of ammonia borane dehydrogenation catalyzed by iron pincer complexes.","Journal of the American Chemical Society","2014","136","31","11153","11161","10.1021/ja5058423","","","1.54178","CuKα","","0.0463","0.039","","","0.083","0.086","","","","","","0.92","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122382","10.9517","0.0002","9.02967","0.00016","13.0861","0.0003","90","","105.544","0.001","90","","1246.76","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C60 H68 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.05","","","","0.1137","","","","","","1.047","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122383","9.1575","0.00017","8.68997","0.00016","14.1387","0.0003","90","","110.322","0.0008","90","","1055.1","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C50 H64 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.0437","","","","0.1065","","","","","","1.079","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122403","9.8649","0.0015","15.274","0.002","12.1669","0.0019","90","","111.051","0.0017","90","","1710.9","0.4","93","","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H54 N O3 P Pd S -","- C34 H54 N O3 P Pd S -","- C68 H108 N2 O6 P2 Pd2 S2 -","2","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0296","0.0286","","","0.0553","0.056","","","","","","1.088","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122405","12.807","0.003","19.191","0.004","13.761","0.003","90","","91.137","0.009","90","","3381.5","1.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CC4-244","hartwig54","","- C57 H79 O16 P2 Rh Si3 -","- C57 H79 O16 P2 Rh Si3 -","- C114 H158 O32 P4 Rh2 Si6 -","2","1","","Cheng, Chen; Hartwig, John F.","Mechanism of the Rhodium-Catalyzed Silylation of Arene C-H Bonds.","Journal of the American Chemical Society","2014","136","34","12064","","10.1021/ja505844k","","","0.71073","MoKα","","0.0374","0.0332","","","0.076","0.0786","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4122410","8.9946","0.0006","37.481","0.002","9.9308","0.0007","90","","105.613","0.004","90","","3224.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs15nov12","","","- C58 H122 Li4 N4 O7 -","- C58 H122 Li4 N4 O7 -","- C116 H244 Li8 N8 O14 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0515","0.0493","","","0.1395","0.142","","","","","","1.085","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122411","14.037","0.005","10.268","0.004","17.665","0.006","90","","105.542","0.012","90","","2453","1.5","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H88 Li4 N4 O6 -","- C40 H88 Li4 N4 O6 -","- C80 H176 Li8 N8 O12 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0591","0.0482","","","0.1163","0.1234","","","","","","1.04","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4122412","9.5393","0.0009","15.8463","0.0014","10.6314","0.001","90","","116.505","0.003","90","","1438.2","0.2","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs14jul13","","","- C25 H54 Li2 N2 O3 -","- C25 H54 Li2 N2 O3 -","- C50 H108 Li4 N4 O6 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.051","0.0432","","","0.1048","0.1107","","","","","","1.032","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122423","9.2056","0.0018","10.937","0.002","11.481","0.002","90","","90.869","0.002","90","","1155.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl N O4 S -","- C24 H28 Cl N O4 S -","- C48 H56 Cl2 N2 O8 S2 -","2","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.029","0.0284","","","0.0786","0.0793","","","","","","1.053","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122424","12.406","0.003","10.684","0.003","14.798","0.004","90","","96.189","0.003","90","","1950","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 N O3 P S -","- C22 H22 N O3 P S -","- C88 H88 N4 O12 P4 S4 -","4","2","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0635","0.0435","","","0.0886","0.0971","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122433","5.9209","0.0006","10.6607","0.0012","17.0647","0.0019","90","","99.223","0.001","90","","1063.2","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H35 N O3 S Si -","- C19 H35 N O3 S Si -","- C38 H70 N2 O6 S2 Si2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0308","0.0279","","","0.0669","0.069","","","","","","1.098","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122434","12.835","0.0006","5.6272","0.0003","12.9187","0.0006","90","","113.133","0.002","90","","858.03","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0273","0.0258","","","0.0683","0.0695","","","","","","1.073","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122558","11.181","0.007","5.799","0.004","17.588","0.011","90","","96.723","0.011","90","","1132.5","1.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C50 H56 N4 O6 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1438","0.0913","","","0.2026","0.2371","","","","","","1.019","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122559","9.422","0.005","6.079","0.003","15.628","0.008","90","","101.009","0.006","90","","878.6","0.8","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0555","0.047","","","0.102","0.1074","","","","","","1.042","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122566","8.3545","0.0006","6.0819","0.0004","13.8786","0.001","90","","106.364","0.003","90","","676.62","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0285","0.0283","","","0.073","0.0731","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122567","10.1568","0.001","6.1364","0.0006","12.3308","0.0012","90","","110.03","0.002","90","","722.05","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0258","0.0257","","","0.065","0.0652","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122595","5.2357","0.0006","45.397","0.005","11.9994","0.0013","90","","94.399","0.006","90","","2843.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H31 N O7 -","- C34 H31 N O7 -","- C136 H124 N4 O28 -","4","2","","Wasa, Masayuki; Liu, Richard Y.; Roche, Stéphane P; Jacobsen, Eric N.","Asymmetric Mannich synthesis of α-amino esters by anion-binding catalysis.","Journal of the American Chemical Society","2014","136","37","12872","12875","10.1021/ja5075163","","","1.54178","CuKα","","0.0328","0.0317","","","0.0763","0.0772","","","","","","1.045","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122602","9.9345","0.001","9.0704","0.0009","18.5496","0.0018","90","","95.247","0.002","90","","1664.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Co P2 -","- C34 H36 Co P2 -","- C68 H72 Co2 P4 -","2","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0602","0.0495","","","0.1474","0.1565","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122640","8.3108","0.0009","6.1042","0.0007","11.6311","0.0013","90","","108.656","0.002","90","","559.05","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl P -","- C14 H10 Cl P -","- C28 H20 Cl2 P2 -","2","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0299","0.0286","","","0.0765","0.0773","","","","","","1.064","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122652","6.1781","0.0011","35.439","0.006","15.264","0.003","90","","100.518","0.003","90","","3285.8","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H74 N12 O14 S4 -","- C59 H74 N12 O14 S4 -","- C118 H148 N24 O28 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1243","0.094","","","0.2297","0.2395","","","","","","1.135","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122653","6.001","0.003","35.559","0.015","15.223","0.006","90","","101.047","0.004","90","","3188","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H74 N12 O20 S4 -","- C50 H74 N12 O20 S4 -","- C100 H148 N24 O40 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.217","0.1344","","","0.3043","0.3409","","","","","","1.138","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122658","14.199","0.005","5.526","0.005","18.342","0.005","90","0.005","93.478","0.005","90","0.005","1436.5","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.0682","0.0409","","","0.111","0.1448","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122665","6.7753","0.0003","9.7463","0.0004","10.5571","0.0005","90","","93.5333","0.0006","90","","695.8","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C32 H32 Br2 N2 O2 -","2","1","","Li, Ling; Zhao, Shibin; Joshi-Pangu, Amruta; Diane, Mohamed; Biscoe, Mark R.","Stereospecific Pd-Catalyzed Cross-Coupling Reactions of Secondary Alkylboron Nucleophiles and Aryl Chlorides.","Journal of the American Chemical Society","2014","136","40","14027","","10.1021/ja508815w","","","0.71073","MoKα","","0.0212","0.0209","","","0.0527","0.0529","","","","","","1.067","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122675","13.4832","0.0014","10.4163","0.0012","13.7636","0.0016","90","","95.496","0.003","90","","1924.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0941","0.067","","","0.1321","0.1458","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122678","11.548","0.003","16.863","0.004","16.778","0.004","90","","100.312","0.003","90","","3214.5","1.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H21 O4 P -","- C42 H21 O4 P -","- C168 H84 O16 P4 -","4","2","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1149","0.0885","","","0.2383","0.2634","","","","","","1.013","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122700","8.344","0.002","14.187","0.003","15.306","0.003","90","","105.013","0.011","90","","1750","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 Br Cl6 N3 O5 -","- C26 H38 Br Cl2 N3 O5 -","- C52 H76 Br2 Cl4 N6 O10 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1025","0.0806","","","0.2094","0.2225","","","","","","1.042","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122783","11.2341","0.0004","5.9399","0.0002","13.0778","0.0004","90","","97.744","0.002","90","","864.72","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Br Cl O4 -","- C18 H18 Br Cl O4 -","- C36 H36 Br2 Cl2 O8 -","2","1","","Goodman, C. Guy; Johnson, Jeffrey S.","Dynamic Kinetic Asymmetric Cross-Benzoin Additions of β-Stereogenic α-Keto Esters.","Journal of the American Chemical Society","2014","136","42","14698","14701","10.1021/ja508521a","","","1.54178","CuKα","","0.0282","0.0259","","","0.0603","0.0611","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122796","11.815","0.005","9.296","0.005","11.952","0.006","90","","110.06","0.02","90","","1233.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O5 -","- C25 H38 N2 O5 -","- C50 H76 N4 O10 -","2","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0288","0.0283","","","0.072","0.0724","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122803","9.6018","0.0005","9.3773","0.0005","11.5356","0.0006","90","","92.6341","0.0007","90","","1037.56","0.09","88","2","88","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0397","0.0367","","","0.0917","0.0939","","","","","","1.042","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122829","16.1791","0.0013","9.7736","0.0008","16.939","0.0013","90","","92.285","0.002","90","","2676.4","0.4","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H33 Cl2 Co N3 O -","- C29 H33 Cl2 Co N3 O -","- C116 H132 Cl8 Co4 N12 O4 -","4","2","","Zhang, Lei; Zuo, Ziqing; Wan, Xiaolong; Huang, Zheng","Cobalt-catalyzed enantioselective hydroboration of 1,1-disubstituted aryl alkenes.","Journal of the American Chemical Society","2014","136","44","15501","15504","10.1021/ja5093908","","","0.71073","MoKα","","0.0862","0.0516","","","0.0993","0.1198","","","","","","0.984","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122878","10.4253","0.0003","6.4492","0.0002","11.5276","0.0004","90","","110.011","0.001","90","","728.26","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","S2","S2","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Chen, Wenyong; Chen, Ming; Hartwig, John F.","Diastereo- and Enantioselective Iridium-Catalyzed Allylation of Cyclic Ketone Enolates: Synergetic Effect of Ligands and Barium Enolates.","Journal of the American Chemical Society","2014","","","141030073216002","","10.1021/ja506500u","","","1.54178","CuKα","","0.0341","0.0337","","","0.0889","0.0893","","","","","","1.053","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122891","16.508","0.0006","9.0189","0.0004","20.058","0.0008","90","","104.827","0.004","90","","2886.9","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 Br O3 -","- C32 H39 Br O3 -","- C128 H156 Br4 O12 -","4","2","","Caruana, Lorenzo; Kniep, Florian; Johansen, Tore Kiilerich; Poulsen, Pernille H.; Jørgensen, Karl Anker","A New Organocatalytic Concept for Asymmetric α-Alkylation of Aldehydes.","Journal of the American Chemical Society","2014","","","141104124641007","","10.1021/ja510475n","","x-ray","0.71073","MoKα","","0.0974","0.0565","","","0.1144","0.135","","","","","","1.0644","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122933","7.2488","0.0009","11.4291","0.0013","12.5189","0.0015","90","","105.968","0.003","90","","997.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Br O4 Si -","- C17 H27 Br O4 Si -","- C34 H54 Br2 O8 Si2 -","2","1","","Li, Jian; Yang, Peng; Yao, Ming; Deng, Jun; Li, Ang","Total Synthesis of Rubriflordilactone A.","Journal of the American Chemical Society","2014","","","141113160240003","","10.1021/ja5092563","","","0.71073","MoKα","","0.0824","0.0531","","","0.1356","0.1521","","","","","","1.017","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122946","9.0926","0.0007","10.6133","0.0008","9.8276","0.0008","90","","96.206","0.002","90","","942.83","0.13","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C46 H46 N6 O4 -","2","1","","Ruchti, Jonathan; Carreira, Erick M.","Ir-Catalyzed Reverse Prenylation of 3-Substituted Indoles: Total Synthesis of (+)-Aszonalenin and (-)-Brevicompanine B.","Journal of the American Chemical Society","2014","","","141119074653005","","10.1021/ja509893s","","x-ray","0.71073","MoKα","","0.0356","0.0341","","","0.0898","0.0911","","","","","","1.052","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122959","11.9646","0.001","20.1695","0.0017","16.2286","0.0014","90","","111.334","0.008","90","","3647.9","0.6","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H111 Fe3 N8 Na O2 -","- C80 H111 Fe3 N8 Na O2 -","- C160 H222 Fe6 N16 Na2 O4 -","2","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71075","MoKα","","0.1318","0.0819","","","0.1731","0.1992","","","","","","1.034","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122994","5.8577","0.0003","6.6735","0.0003","12.7807","0.0006","90","","98.084","0.003","90","","494.65","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0635","0.0432","","","0.0941","0.1015","","","","","","1.081","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122998","10.45","0.002","11.491","0.002","18.143","0.004","90","","99.75","0.03","90","","2147.2","0.8","100","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 Ni O2 -","- C23 H28 N3 Ni O2 -","- C92 H112 N12 Ni4 O8 -","4","2","","Schley, Nathan D.; Fu, Gregory C.","Nickel-Catalyzed Negishi Arylations of Propargylic Bromides: A Mechanistic Investigation.","Journal of the American Chemical Society","2014","","","141117163347008","","10.1021/ja508718m","","","0.7293","synchrotron","","0.0446","0.0401","","","0.1013","0.1031","","","","","","1.007","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123016","13.3167","0.0008","11.4282","0.0005","16.5889","0.001","90","","112.288","0.005","90","","2336","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H81 F3 O4 P4 Pd2 S -","- C38 H81 F3 O4 P4 Pd2 S -","- C76 H162 F6 O8 P8 Pd4 S2 -","2","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0276","0.0259","","","0.0626","0.0632","","","","","","1.044","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123023","5.8916","0.0003","11.8596","0.0005","25.8111","0.0011","90","","92.489","0.003","90","","1801.77","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","2","","Guo, Chang; Sahoo, Basudev; Daniliuc, Constantin G.; Glorius, Frank","N-Heterocyclic Carbene Catalyzed Switchable Reactions of Enals with Azoalkenes: Formal [4 + 3] and [4 + 1] Annulations for the Synthesis of 1,2-Diazepines and Pyrazoles.","Journal of the American Chemical Society","2014","","","141203132036004","","10.1021/ja510737n","","","1.54178","CuKα","","0.0762","0.0542","","","0.1121","0.1222","","","","","","1.054","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123025","7.6822","0.0002","13.245","0.0004","9.5272","0.0003","90","","107.126","0.002","90","","926.42","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0423","0.0349","","","0.078","0.0817","","","","","","1.038","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123027","9.9876","0.0003","10.1713","0.0003","12.4643","0.0004","90","","101.604","0.002","90","","1240.33","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 F3 N O2 -","- C29 H32 F3 N O2 -","- C58 H64 F6 N2 O4 -","2","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0421","0.0343","","","0.0737","0.0773","","","","","","1.029","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123049","8.227","0.0009","26.921","0.003","10.8369","0.0011","90","","90.331","0.006","90","","2400.1","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 Br N O2 -","- C27 H32 Br N O2 -","- C108 H128 Br4 N4 O8 -","4","2","","Murakami, Keiichi; Sasano, Yusuke; Tomizawa, Masaki; Shibuya, Masatoshi; Kwon, Eunsang; Iwabuchi, Yoshiharu","Highly Enantioselective Organocatalytic Oxidative Kinetic Resolution of Secondary Alcohols Using Chiral Alkoxyamines as Precatalysts: Catalyst Structure, Active Species, and Substrate Scope.","Journal of the American Chemical Society","2014","","","141205132142002","","10.1021/ja509766f","","","0.71075","MoKα","","","0.0581","","","","0.1305","","","","","","1.117","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123073","10.42","0.002","18.183","0.004","13.287","0.003","90","","93.105","0.004","90","","2513.8","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H76 N2 Th -","- C61 H76 N2 Th -","- C122 H152 N4 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0793","0.0623","","","0.1089","0.1175","","","","","","1.063","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123120","16.7834","0.0016","15.7756","0.0015","17.4535","0.0016","90","","117.807","0.003","90","","4087.5","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Methyl-Marked Red House","","","- C90 H86 Mn4 N16 -","- C90 H86 Mn4 N16 -","- C180 H172 Mn8 N32 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0467","0.0404","","","0.1132","0.1204","","","","","","1.059","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123121","16.516","0.005","15.842","0.004","16.591","0.005","90","","116.311","0.004","90","","3891.3","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Red House","","","- C88 H82 Mn4 N16 -","- C88 H82 Mn4 N16 -","- C176 H164 Mn8 N32 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.163","0.071","","","0.1259","0.1587","","","","","","0.973","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123153","9.7561","0.0009","16.1203","0.0015","10.2677","0.001","90","","93.0754","0.0013","90","","1612.5","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H52 P4 Si2 W -","- C24 H52 P4 Si2 W -","- C48 H104 P8 Si4 W2 -","2","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0314","0.0266","","","0.0586","0.0604","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123208","12.8123","0.0004","6.8936","0.0002","19.3696","0.0006","90","","104.829","0.002","90","","1653.8","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C76 H84 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0709","0.063","","","0.1721","0.1891","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123209","7.1422","0.0001","10.1714","0.0002","23.7772","0.0004","90","","94.603","0.001","90","","1721.75","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H47 O9 -","- C39 H47 O9 -","- C78 H94 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0365","0.0361","","","0.1102","0.1112","","","","","","0.996","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123236","9.2073","0.0005","8.4035","0.0004","12.6305","0.0007","90","","90.524","0.002","90","","977.23","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","1.54178","CuKα","","0.0518","0.0516","","","0.1349","0.1352","","","","","","1.074","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123262","10.4301","0.0014","6.0297","0.0008","12.7142","0.0017","90","","108.918","0.001","90","","756.41","0.18","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0413","0.0399","","","0.106","0.1075","","","","","","1.056","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123279","9.5699","0.0006","6.8599","0.0004","14.411","0.0008","90","","101.48","0.003","90","","927.13","0.1","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C42 H64 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.046","0.0451","","","0.1193","0.1203","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123280","9.789","0.002","7.7354","0.0017","15.707","0.003","90","","107.521","0.003","90","","1134.2","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7 -","- C25 H34 O7 -","- C50 H68 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0506","0.0469","","","0.1148","0.1187","","","","","","1.125","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123281","9.284","","6.85","","14.331","","90","","100.67","","90","","895.628","","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54184","CuKα","","0.0396","0.0366","","","0.0869","0.0887","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123282","12.74","0.02","6.122","0.009","13.29","0.02","90","","92.06","0.02","90","","1036","3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0748","0.0693","","","0.1762","0.1835","","","","","","1.02","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123294","10.3707","0.0004","5.1424","0.0002","19.9292","0.0008","90","","104.805","0.0014","90","","1027.54","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (2S,3S)-2-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)-3-(3,5-difluorophenyl)propanoate","","- C21 H22 Cl F2 N O4 -","- C21 H22 Cl F2 N O4 -","- C42 H44 Cl2 F4 N2 O8 -","2","1","","Molinaro, Carmela; Scott, Jeremy P.; Shevlin, Michael; Wise, Christopher; Ménard, Alain; Gibb, Andrew; Junker, Ellyn M.; Lieberman, David","Catalytic, Asymmetric, and Stereodivergent Synthesis of Non-Symmetric β,β-Diaryl-α-Amino Acids.","Journal of the American Chemical Society","2015","137","2","999","1006","10.1021/ja511872a","","","1.54178","CuKα","","0.0591","0.0548","","","0.1411","0.1453","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123301","8.7984","0.0006","10.1655","0.0008","9.8954","0.0007","90","","90.989","0.002","90","","884.91","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","1.54178","CuKα","","0.039","0.0385","","","0.1086","0.1094","","","","","","1.066","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123304","8.6543","0.0005","14.3664","0.001","10.7483","0.0007","90","","90.845","0.006","90","","1336.2","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.055","0.0427","","","0.0992","0.1081","","","","","","1.057","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123352","6.913","0.0016","12.285","0.003","9.22","0.002","90","","94.756","0.003","90","","780.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0288","0.0273","","","0.0656","0.0671","","","","","","1.022","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123357","14.737","0.0016","27.527","0.003","15.2903","0.0017","90","","95.821","0.004","90","","6170.8","1.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O10 -","- C30.93 H32.48 Br N O10.25 -","- C247.44 H259.84 Br8 N8 O82 -","8","4","","Halskov, Kim Søholm; Kniep, Florian; Lauridsen, Vibeke Henriette; Iversen, Eva Høgh; Donslund, Bjarke Skyum; Jørgensen, Karl Anker","Organocatalytic enamine-activation of cyclopropanes for highly stereoselective formation of cyclobutanes.","Journal of the American Chemical Society","2015","137","4","1685","1691","10.1021/ja512573q","","","0.56086","AgKα","","0.0862","0.0629","","","0.1664","0.187","","","","","","1.07","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123358","11.998","0.002","14.851","0.003","12.524","0.003","90","","93.8","0.03","90","","2226.6","0.8","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","1","0.5","","Martínez-Calvo, Miguel; Kotova, Oxana; Möbius, Matthias E; Bell, Alan P.; McCabe, Thomas; Boland, John J.; Gunnlaugsson, Thorfinnur","Healable luminescent self-assembly supramolecular metallogels possessing lanthanide (eu/tb) dependent rheological and morphological properties.","Journal of the American Chemical Society","2015","137","5","1983","1992","10.1021/ja511799n","","","0.71073","MoKα","","","0.0513","","","","0.1873","","","","","","1.12","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123361","6.2588","0.0007","14.004","0.0016","8.5176","0.0009","90","","101.959","0.007","90","","730.35","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0885","0.061","","","0.1339","0.144","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123410","8.3141","0.0003","7.0195","0.0004","11.3118","0.0005","90","","102.354","0.003","90","","644.88","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidinium chloride","","- C14 H20 Cl N -","- C14 H20 Cl N -","- C28 H40 Cl2 N2 -","2","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","0.71073","MoKα","","0.0254","0.024","","","0.0589","0.0597","","","","","","1.034","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123414","8.2161","0.0016","8.7777","0.0018","17.239","0.003","90","","92.12","0.03","90","","1242.4","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Br Cl N2 O7 S -","- C23 H20 Br Cl N2 O7 S -","- C46 H40 Br2 Cl2 N4 O14 S2 -","2","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","1.54178","CuKα","","0.0272","0.0267","","","0.0711","0.0716","","","","","","1.035","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123434","11.944","0.003","37.285","0.008","12.625","0.003","90","","115.775","0.0017","90","","5063","2","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C129 H77 Cl3 N4 O16 S8 -","- C129 H77 Cl3 N4 O16 S8 -","- C258 H154 Cl6 N8 O32 S16 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0389","0.0366","","","0.0868","0.0882","","","","","","1.027","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123439","11.787","0.004","6.031","0.002","15.094","0.004","90","","111.35","0.02","90","","999.4","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 -","- C20 H27 Br N2 O2 -","- C40 H54 Br2 N4 O4 -","2","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","","1.54178","CuKα","","0.0317","0.0314","","","0.085","0.0854","","","","","","1.085","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123458","15.4642","0.0009","15.25","0.0009","16.0021","0.0009","90","","91.415","0.001","90","","3772.6","0.4","140","1","140","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H72 Ce Cl6 N4 P3 -","- C80 H72 Ce Cl6 N4 P3 -","- C160 H144 Ce2 Cl12 N8 P6 -","2","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0367","0.031","","","0.0635","0.066","","","","","","0.955","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123471","6.7791","0.0002","10.1381","0.0004","9.7026","0.0003","90","","105.925","0.0011","90","","641.24","0.04","","","","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","Title","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0315","0.0311","","","0.0793","0.0797","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123473","10.0688","0.0004","7.9622","0.0003","12.9865","0.0005","90","","109.748","0.002","90","","979.89","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","WH2-17811","toste105","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C44 H42 N2 O10 S2 -","2","1","","Zi, Weiwei; Wu, Hongmiao; Toste, F. Dean","Gold(I)-Catalyzed Dearomative Rautenstrauch Rearrangement: Enantioselective Access to Cyclopenta[b]indoles.","Journal of the American Chemical Society","2015","","","150224162405005","","10.1021/jacs.5b00613","","","1.54178","CuKα","","0.026","0.0255","","","0.0682","0.0685","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123474","10.2527","0.0006","10.1344","0.0006","11.1386","0.0006","90","","95.063","0.002","90","","1152.84","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C46 H64 N4 O10 -","2","1","","Yang, Xiaoyu; Toste, F. Dean","Direct Asymmetric Amination of α-Branched Cyclic Ketones Catalyzed by a Chiral Phosphoric Acid.","Journal of the American Chemical Society","2015","137","9","3205","3208","10.1021/jacs.5b00229","","","1.54178","CuKα","","0.0255","0.0253","","","0.0649","0.0651","","","","","","1.027","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4123507","8.7567","0.0002","11.1781","0.0002","10.334","0.0007","90","","112.471","0.008","90","","934.72","0.09","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O4 -","- C18 H32 O4 -","- C36 H64 O8 -","2","1","","Hansen, Douglas A.; Koch, Aaron A.; Sherman, David H.","Substrate controlled divergence in polyketide synthase catalysis.","Journal of the American Chemical Society","2015","137","11","3735","3738","10.1021/ja511743n","","","1.54178","CuKα","","0.0305","0.0295","","","0.0771","0.0781","","","","","","1.058","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123521","9.4149","0.0017","16.705","0.003","16.72","0.003","90","","104.213","0.007","90","","2549.2","0.8","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H32 B F4 O0.5 P -","- C29 H32 B F4 O0.5 P -","- C116 H128 B4 F16 O2 P4 -","4","2","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.1525","0.0716","","","0.1119","0.1303","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123522","15.5147","0.0012","12.7713","0.001","15.9668","0.0012","90","","105.721","0.004","90","","3045.4","0.4","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29.7 H34.99 Cl0.4 N3 O8 S -","- C29.696 H34.99 Cl0.402 N3 O8 S -","- C118.784 H139.96 Cl1.608 N12 O32 S4 -","4","2","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.1065","0.095","","","0.2482","0.2582","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123524","8.0897","0.0016","10.667","0.002","11.916","0.002","90","","93.879","0.01","90","","1025.9","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O7 S -","- C18 H24 N2 O7 S -","- C36 H48 N4 O14 S2 -","2","1","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.067","0.0411","","","0.1057","0.1168","","","","","","0.923","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123526","15.2351","0.0007","42.456","0.002","15.4011","0.0007","90","","101.763","0.002","90","","9752.6","0.8","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H158 La Mo12 O146 P -","- C84 H158 La Mo12 O146 P -","- C168 H316 La2 Mo24 O292 P2 -","2","1","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","0.71073","MoKα","","0.0529","0.0475","","","0.1275","0.1308","","","","","","1.06","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123541","12.181","0.003","11.497","0.003","19.231","0.005","90","","108.349","0.003","90","","2556.3","1.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl2 N2 O4 S -","- C27 H24 Cl2 N2 O4 S -","- C108 H96 Cl8 N8 O16 S4 -","4","2","","Zhang, Lei; Liu, Honglei; Qiao, Guanyu; Hou, Zhanfeng; Liu, Yang; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Highly Enantioselective [3 + 3] Cycloaddition of Morita-Baylis-Hillman Carbonates with C,N-Cyclic Azomethine Imines.","Journal of the American Chemical Society","2015","","","150327094845007","","10.1021/jacs.5b01138","","","0.71073","MoKα","","0.0334","0.0326","","","0.0723","0.0729","","","","","","1.07","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123577","7.2838","0.0003","7.068","0.0003","8.6698","0.0003","90","","100.133","0.001","90","","439.38","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-II-21","sarpong101","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0255","0.0254","","","0.0646","0.0646","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123585","7.1949","0.0001","40.3998","0.0007","12.0121","0.0002","90","","95.896","0.002","90","","3473.12","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) dicyanoaurate(i)","","- C29 H54 Au2 N11 P3 -","- C29 H54 Au2 N11 P3 -","- C116 H216 Au8 N44 P12 -","4","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0242","0.023","","","0.0577","0.0581","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123592","13.4286","0.0009","9.6835","0.0006","21.6664","0.0014","90","","105.375","0.001","90","","2716.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 Si -","- C27 H39 N O4 Si -","- C108 H156 N4 O16 Si4 -","4","2","","Mizoguchi, Haruki; Micalizio, Glenn C.","Synthesis of Highly Functionalized Decalins via Metallacycle-Mediated Cross-Coupling.","Journal of the American Chemical Society","2015","137","20","6624","6628","10.1021/jacs.5b02107","","","0.71073","MoKα","","0.0504","0.0393","","","0.091","0.0979","","","","","","1.023","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123619","10.301","0.0005","19.2677","0.0008","16.8297","0.0007","90","","100.001","0.002","90","","3289.5","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H80 F16 N4 Ni2 -","- C66 H80 F16 N4 Ni2 -","- C132 H160 F32 N8 Ni4 -","2","1","","Ohashi, Masato; Shirataki, Hiroshi; Kikushima, Kotaro; Ogoshi, Sensuke","Nickel-Catalyzed Formation of Fluorine-Containing Ketones via the Selective Cross-Trimerization Reaction of Tetrafluoroethylene, Ethylene, and Aldehydes.","Journal of the American Chemical Society","2015","137","20","6496","6499","10.1021/jacs.5b03587","","","0.71075","MoKα","","0.1301","0.0552","","","0.0866","0.1102","","","","","","0.983","","","","has coordinates,has disorder","138218","2020-10-21","18:00:00",""
"4123622","9.8046","0.0009","7.4469","0.0004","11.536","0.0007","90","","107.495","0.006","90","","803.33","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0436","","","0.086","0.0922","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123627","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123630","15.845","0.002","7.3477","0.0005","16.074","0.002","90","","90.063","0.012","90","","1871.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N2 O3.5 -","- C19 H23 N2 O3.5 -","- C76 H92 N8 O14 -","4","2","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1147","0.0933","","","0.2432","0.2605","","","","","","1.056","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123643","13.4361","0.0018","18.178","0.003","22.458","0.003","90","","100.534","0.009","90","","5392.7","1.4","100","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H87 N5 O9 -","- C50 H87 N5 O9 -","- C200 H348 N20 O36 -","4","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0939","0.0894","","","0.2495","0.2606","","","","","","0.967","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123656","10.7826","0.0007","17.1122","0.0011","12.4527","0.0008","90","","115.206","0.004","90","","2078.9","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 O2 P2 Pd Si -","- C46 H44 O2 P2 Pd Si -","- C92 H88 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.033","0.0287","","","0.0646","0.0667","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123665","6.94","0.0004","12.1429","0.0007","11.5499","0.0006","90","","93.316","0.002","90","","971.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-116B","sarpong79","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0256","0.0254","","","0.067","0.0672","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123666","7.3713","0.0003","10.8358","0.0005","11.8516","0.0005","90","","91.104","0.002","90","","946.46","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-165","sarpong88","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0385","0.0359","","","0.0917","0.0935","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123693","10.2826","0.0009","8.166","0.0007","16.8783","0.0015","90","","105.643","0.002","90","","1364.7","0.2","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H35 B F4 O5 P Rh -","- C26 H35 B F4 O5 P Rh -","- C52 H70 B2 F8 O10 P2 Rh2 -","2","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","0.71073","MoKα","","0.0631","0.0442","","","0.0765","0.0874","","","","","","0.994","","","","has coordinates","138230","2020-10-21","18:00:00",""
"4123713","12.5627","0.0005","9.3403","0.0004","14.8345","0.0007","90","","112.996","0.003","90","","1602.34","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium_Germanium_Iodide","","","- C2 H7 Ge I3 N2 -","- C2 H7 Ge I3 N2 -","- C12 H42 Ge6 I18 N12 -","6","3","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.037","0.027","","","0.0518","0.0539","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123761","10.3888","0.0004","34.9174","0.0014","11.0842","0.0004","90","","108.356","0.001","90","","3816.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H49 F3 N2 O3 P2 Pd S -","- C39 H49 F3 N2 O3 P2 Pd S -","- C156 H196 F12 N8 O12 P8 Pd4 S4 -","4","2","","Walker, Whitney K.; Kay, Benjamin M.; Michaelis, Scott A.; Anderson, Diana L.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Origin of Fast Catalysis in Allylic Amination Reactions Catalyzed by Pd-Ti Heterobimetallic Complexes.","Journal of the American Chemical Society","2015","137","23","7371","7378","10.1021/jacs.5b02428","","","0.71073","MoKα","","0.0178","0.0176","","","0.045","0.045","","","","","","1.11","","","","has coordinates","141359","2020-10-21","18:00:00",""
"4123774","12.8918","0.0014","14.5673","0.0015","19","0.002","90","","94.939","0.002","90","","3554.9","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Cl2 Hg N8 Se4 -","- C32 H32 Cl2 Hg N8 Se4 -","- C128 H128 Cl8 Hg4 N32 Se16 -","4","2","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0684","0.0409","","","0.0617","0.0688","","","","","","1.011","","","","has coordinates","137976","2020-10-21","18:00:00",""
"4123798","7.4715","0.0006","5.8406","0.0005","20.5248","0.0017","90","","95.799","0.003","90","","891.08","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N -","- C23 H20 Br N -","- C46 H40 Br2 N2 -","2","1","","Zhao, Chenfei; Seidel, Daniel","Enantioselective a(3) reactions of secondary amines with a cu(i)/acid-thiourea catalyst combination.","Journal of the American Chemical Society","2015","137","14","4650","4653","10.1021/jacs.5b02071","","","0.71073","MoKα","","0.0928","0.0669","","","0.1273","0.1383","","","","","","1","","","","has coordinates","137998","2020-10-21","18:00:00",""
"4123827","5.3403","0.0001","12.4724","0.0002","17.188","0.0003","90","","91.564","0.002","90","","1144.4","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl3 N2 O5 S -","- C19 H21 Cl3 N2 O5 S -","- C38 H42 Cl6 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.04","0.0388","","","0.1025","0.104","","","","","","1.023","","","","has coordinates,has disorder","140122","2020-10-21","18:00:00",""
"4123828","8.1064","0.0001","7.8428","0.0001","12.2165","0.0002","90","","100.67","0.002","90","","763.258","0.019","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C28 H36 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.0215","0.0214","","","0.0559","0.0561","","","","","","1.053","","","","has coordinates","140122","2020-10-21","18:00:00",""
"4123831","10.2769","0.0009","15.7138","0.0013","10.6026","0.0009","90","","102.538","0.005","90","","1671.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Mu_09_130","Mu_09_130_0ma","","- C38 H51 Cu N2 -","- C38 H51 Cu N2 -","- C76 H102 Cu2 N4 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0444","0.0339","","","0.0656","0.0698","","","","","","1.043","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123837","11.0266","0.0002","13.483","0.0002","11.3181","0.0002","90","","91.664","0.001","90","","1681.97","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H52 O6 -","- C40 H52 O6 -","- C80 H104 O12 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","1.54178","CuKα","","0.0507","0.0499","","","0.1422","0.1439","","","","","","1.109","","","","has coordinates","140113","2020-10-21","18:00:00",""
"4123852","14.662","0.002","19.556","0.003","16.74","0.003","90","","92.645","0.002","90","","4794.7","1.3","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H44 Cu F6 N4 O7 S2 -","- C50 H44 Cu F6 N4 O7 S2 -","- C200 H176 Cu4 F24 N16 O28 S8 -","4","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0832","","","","0.0663","","","","","","1.353","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123854","12.856","0.019","12.866","0.018","15.7","0.03","90","","108.793","0.017","90","","2458","7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 N4 O4 Ru -","- C48 H40 N4 O4 Ru -","- C96 H80 N8 O8 Ru2 -","2","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.71075","MoKα","","","0.213","","","","0.5208","","","","","","1.859","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123869","8.2548","0.0003","10.0794","0.0002","10.0211","0.0003","90","","110.128","0.004","90","","782.87","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0379","0.0374","","","0.1035","0.1045","","","","","","1.051","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123871","11.4872","0.0008","10.2566","0.0005","13.2057","0.0009","90","","112.74","0.008","90","","1434.95","0.18","294.39","0.1","294.39","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H40 O4 -","- C36 H40 O4 -","- C72 H80 O8 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0829","0.0818","","","0.2257","0.2277","","","","","","1.054","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123894","12.1939","0.0008","14.0887","0.0009","13.9512","0.0013","90","","104.752","0.008","90","","2317.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F N3 O3 -","- C26 H24 F N3 O3 -","- C104 H96 F4 N12 O12 -","4","2","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0703","0.0431","","","0.0929","0.1064","","","","","","1.004","","","","has coordinates","140010","2020-10-21","18:00:00",""
"4123902","9.989","0.0002","48.2896","0.0009","12.8422","0.0003","90","","112.625","0.001","90","","5717.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H73 N4 O5 P4 Rh -","- C64 H73 N4 O5 P4 Rh -","- C256 H292 N16 O20 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.0578","0.0582","","","","","","1.081","","","","has coordinates,has disorder","140018","2020-10-21","18:00:00",""
"4123918","11.7952","0.0006","9.0065","0.0005","15.2933","0.0008","90","","99.549","0.0016","90","","1602.15","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Huang, Yinhua; Hayashi, Tamio","Asymmetric Synthesis of Triarylmethanes by Rhodium-Catalyzed Enantioselective Arylation of Diarylmethylamines with Arylboroxines.","Journal of the American Chemical Society","2015","137","24","7556","7559","10.1021/jacs.5b03277","","","0.71073","MoKα","","0.0193","0.0178","","","0.049","0.0518","","","","","","1.025","","","","has coordinates","140034","2020-10-21","18:00:00",""
"4123919","6.8925","","7.8573","","10.1656","","90","","91.487","","90","","550.347","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K (Sb P2 Se6)","","- K P2 Sb Se6 -","- K P2 Sb Se6 -","- K2 P4 Sb2 Se12 -","2","1","","Breshears, J.D.; Kanatzidis, M.G.","beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors","Journal of the American Chemical Society","2000","122","","7839","7840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123920","6.9183","","7.663","","10.239","","90","","91.508","","90","","542.632","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K (Bi P2 Se6)","","- Bi K P2 Se6 -","- Bi K P2 Se6 -","- Bi2 K2 P4 Se12 -","2","1","","Breshears, J.D.; Kanatzidis, M.G.","beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors","Journal of the American Chemical Society","2000","122","","7839","7840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123962","8.959","","5.6327","","9.13","","90","","90.159","","90","","460.729","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4) (Zn As O4)","","- As H4 N O4 Zn -","- As N O4 Zn -","- As4 N4 O16 Zn4 -","4","2","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124149","15.8254","0.0004","6.0257","0.0002","16.6449","0.0005","90","","115.541","0.0013","90","","1432.14","0.08","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H37 N O4 -","- C34 H37 N O4 -","- C68 H74 N2 O8 -","2","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0339","0.0298","","","0.0653","0.0672","","","","","","1.067","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124159","7.077","0.002","8.79","0.003","14.988","0.005","90","","100.256","0.006","90","","917.5","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 B10 N -","- C16 H21 B10 N -","- C32 H42 B20 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0639","0.0472","","","0.1103","0.1214","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124190","8.5899","0.0011","20.674","0.003","12.1902","0.0015","90","","93.937","0.005","90","","2159.7","0.5","150","2","150.21","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H61 N O14 -","- C41 H61 N O14 -","- C82 H122 N2 O28 -","2","1","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","1.54178","CuKα","","0.0819","0.0783","","","0.2089","0.2141","","","","","","1.068","","","","has coordinates","152486","2020-10-21","18:00:00",""
"4124243","8.667","0.0002","15.0475","0.0003","10.996","0.0003","90","","100.199","0.002","90","","1411.4","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cp*Ti{MeC(NiPr)2){(NBC8H14)}","","- C26 H46 B N3 Ti -","- C26 H46 B N3 Ti -","- C52 H92 B2 N6 Ti2 -","2","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0797","0.0757","","0.09","0.0835","0.0823","","","","","","0.9361","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124256","11.1588","0.0006","9.3746","0.0006","12.4312","0.0007","90","","97.56","0.003","90","","1289.12","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","0.71073","MoKα","","0.0489","0.0416","","","0.1162","0.1227","","","","","","0.934","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124258","8.8064","0.00016","5.77199","0.0001","11.9726","0.0002","90","","111.463","0.0011","90","","566.371","0.018","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Egami, Hiromichi; Asada, Junshi; Sato, Kentaro; Hashizume, Daisuke; Kawato, Yuji; Hamashima, Yoshitaka","Asymmetric Fluorolactonization with a Bifunctional Hydroxyl Carboxylate Catalyst.","Journal of the American Chemical Society","2015","137","32","10132","10135","10.1021/jacs.5b06546","","","1.54184","CuKα","","0.0352","0.033","","","0.0783","0.0875","","","","","","1.099","","","","has coordinates","154660","2020-10-21","18:00:00",""
"4124300","7.9508","0.0007","7.0951","0.0009","15.8626","0.0015","90","","95.565","0.009","90","","890.62","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-4-chloro 2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1109","0.0502","","","0.0994","0.1167","","","","","","0.851","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124301","7.8577","0.0008","7.8314","0.0006","14.1039","0.0012","90","","105.477","0.01","90","","836.44","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-chloro 4-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0667","0.0453","","","0.0923","0.0974","","","","","","0.935","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124302","10.0845","0.0009","5.3717","0.0005","30.358","0.004","90","","91.802","0.012","90","","1643.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S) 3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.096","0.0813","","","0.1986","0.2052","","","","","","1.132","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124303","9.7454","0.0019","5.5417","0.0006","31.396","0.004","90","","95.094","0.015","90","","1688.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-bromomandelic acid","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0771","0.0572","","","0.1248","0.1296","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124304","8.316","0.0018","11.855","0.003","8.4526","0.0018","90","","93.82","0.007","90","","831.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71073","MoKα","","0.0744","0.056","","","0.1313","0.1416","","","","","","1.057","","","","has coordinates,has disorder","154650","2020-10-21","18:00:00",""
"4124305","9.8701","0.0008","5.4344","0.0006","30.656","0.002","90","","95.26","0.008","90","","1637.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0724","0.0434","","","0.0813","0.0862","","","","","","0.829","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124317","9.961","","18.088","","10.036","","90","","118.84","","90","","1583.96","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K4 (H5 O2) (Nb3 O2 (S O4)6 (H2 O)3) (H2 O)5","","- H21 K4 Nb3 O36 S6 -","- K4 Nb3 O36 S6 -","- K8 Nb6 O72 S12 -","2","1","","Bino, A.","Triangular triniobium cluster in aqueous solution","Journal of the American Chemical Society","1980","102","","7990","7991","","","","","","","","","","","","","","","","","","","","","","has coordinates","154115","2020-10-21","18:00:00",""
"4124324","11.0486","0.0003","5.4958","0.0002","14.194","0.0004","90","","96.3784","0.0011","90","","856.54","0.05","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 -","- C22 H19 F3 -","- C44 H38 F6 -","2","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.0286","0.0282","","","0.0776","0.078","","","","","","1.033","","","","has coordinates","154226","2020-10-21","18:00:00",""
"4124333","11.564","0.002","11.653","0.002","13.974","0.003","90","","95.201","0.005","90","","1875.3","0.6","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0404","0.0356","","","0.0945","0.1201","","","","","","1.131","","","","has coordinates","154235","2020-10-21","18:00:00",""
"4124344","7.4814","0.0005","6.0033","0.0004","27.9363","0.0018","90","","97.0064","0.0008","90","","1245.34","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br F6 O2 -","- C29 H21 Br F6 O2 -","- C58 H42 Br2 F12 O4 -","2","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0434","0.0373","","","0.0888","0.0918","","","","","","1.041","","","","has coordinates","154246","2020-10-21","18:00:00",""
"4124345","14.6894","0.0008","5.9472","0.0003","20.3256","0.0011","90","","98.8906","0.0007","90","","1754.33","0.16","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C88 H76 Br4 O8 -","4","2","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.025","0.023","","","0.0507","0.0514","","","","","","1.051","","","","has coordinates","154247","2020-10-21","18:00:00",""
"4124373","10.1978","0.0009","14.1321","0.0013","25.82","0.002","90","","95.3841","0.0016","90","","3704.7","0.6","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H92 F12 Fe6 N18 O7 P2 -","- C64 H92 F12 Fe6 N18 O7 P2 -","- C128 H184 F24 Fe12 N36 O14 P4 -","2","1","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0667","0.0503","","","0.1157","0.124","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124387","9.34095","0.00017","17.7554","0.0003","9.85967","0.00018","90","","102.946","0.0018","90","","1593.68","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H29 B F8 N P Ru -","- C37 H29 B F8 N P Ru -","- C74 H58 B2 F16 N2 P2 Ru2 -","2","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0322","0.0291","","","0.0588","0.0606","","","","","","1.035","","","","has coordinates","154277","2020-10-21","18:00:00",""
"4124400","16.764","0.002","5.7286","0.0007","17.464","0.002","90","","92.17","0.003","90","","1675.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl2 O6 -","- C17 H14 Cl2 O6 -","- C68 H56 Cl8 O24 -","4","2","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.0965","0.0576","","","0.1073","0.1284","","","","","","1.038","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124410","11.4236","0.0008","7.3166","0.0004","12.1844","0.0008","90","","109.39","0.008","90","","960.63","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O2 -","- C23 H36 O2 -","- C46 H72 O4 -","2","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0292","0.029","","","0.077","0.0774","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124565","5.9216","0.0003","20.07","0.001","18.4872","0.0009","90","","96.45","0.003","90","","2183.23","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","M4","toste135","","- C23 H23 F N2 O5 S -","- C23 H23 F N2 O5 S -","- C92 H92 F4 N8 O20 S4 -","4","2","","He, Ying; Yang, Zhenyu; Thornbury, Richard T.; Toste, F. Dean","Palladium-Catalyzed Enantioselective 1,1-Fluoroarylation of Aminoalkenes.","Journal of the American Chemical Society","2015","137","38","12207","12210","10.1021/jacs.5b07795","","","1.54178","CuKα","","0.0798","0.074","","","0.1915","0.1968","","","","","","1.035","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124595","10.928","0.002","7.4634","0.0014","20.727","0.004","90","","101.834","0.003","90","","1654.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H59 N O -","- C38 H59 N O -","- C76 H118 N2 O2 -","2","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0783","0.0663","","","0.1573","0.1692","","","","","","1.13","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124597","16.1717","0.0011","9.3641","0.0006","21.5606","0.0015","90","","104.716","0.002","90","","3157.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N6 O6.5 -","- C27 H49 N6 O6.5 -","- C108 H196 N24 O26 -","4","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0982","0.0651","","","0.1665","0.1864","","","","","","1.023","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124606","10.6952","0.0005","6.1486","0.0004","11.1379","0.0006","90","","101.24","0.005","90","","718.39","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C28 H40 O6 S2 -","2","1","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0541","0.0433","","","0.0868","0.0929","","","","","","1.093","","","","has coordinates","159600","2020-10-21","18:00:00",""
"4124715","10.7638","0.0003","6.0095","0.0001","23.2033","0.0006","90","","93.308","0.002","90","","1498.41","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O -","- C19 H26 O -","- C76 H104 O4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0397","0.0381","","","0.0946","0.0959","","","","","","1.051","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124716","13.155","0.003","8.548","0.002","23.428","0.006","90","","100.599","0.008","90","","2589.5","1.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 F3 N O4 S -","- C26 H42 F3 N O4 S -","- C104 H168 F12 N4 O16 S4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","0.71073","MoKα","","0.0474","0.0422","","","0.0996","0.1025","","","","","","1.066","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124719","10.8829","0.0005","6.2007","0.0003","12.5765","0.0006","90","","114.548","0.001","90","","771.97","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0311","0.031","","","0.0842","0.0845","","","","","","1.078","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124727","11.5618","0.0005","5.8","0.0002","13.3062","0.0005","90","","105.725","0.001","90","","858.9","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3,10-dichloro-6-(2-methoxyphenyl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C22 H15 Cl2 N O2 -","- C22 H15 Cl2 N O2 -","- C44 H30 Cl4 N2 O4 -","2","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.023","0.0224","","","0.0561","0.0564","","","","","","1.067","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124735","8.7297","0.0003","17.7981","0.0005","11.6078","0.0004","90","","99.195","0.004","90","","1780.35","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H33 Cl4 F6 O2 P Ru -","- C37 H33 Cl4 F6 O2 P Ru -","- C74 H66 Cl8 F12 O4 P2 Ru2 -","2","1","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","1.54178","CuKα","","0.0424","0.0414","","","0.1137","0.1145","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124736","12.3765","0.001","7.7653","0.0005","15.2165","0.0013","90","","98.432","0.007","90","","1446.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","2","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","0.71073","MoKα","","0.0661","0.0527","","","0.1186","0.1275","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124791","10.799","","10.684","","10.663","","90","","95.71","","90","","1224.16","","","","","","","","","","","","","1","P 1 21 1","P 2yb","4","","","","- S8 -","- S8 -","- S48 -","6","3","","Goldsmith, L.M.; Strouse, C.E.","Molecular dynamics in the solid state. the order - disorder transition of monoclinic sulfur","Journal of the American Chemical Society","1977","99","","7580","7589","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124825","10.862","0.002","8.9413","0.0018","44.757","0.009","90","","96.87","0.03","90","","4315.6","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N3 O2 -","- C25 H20 Br N3 O2 -","- C200 H160 Br8 N24 O16 -","8","4","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.0993","0.0919","","","0.2181","0.2303","","","","","","1.157","","","","has coordinates","173459","2020-10-21","18:00:00",""
"4124874","10.2781","0.0004","12.6985","0.0004","15.9497","0.0005","90","","95.976","0.002","90","","2070.39","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H27 B Br2 O5 -","- C41 H27 B Br2 O5 -","- C82 H54 B2 Br4 O10 -","2","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0335","0.0328","","","0.0841","0.0845","","","","","","1.036","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124896","11.7263","0.001","11.8526","0.001","15.8755","0.0013","90","","105.809","0.001","90","","2123","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H3 F20 O2 Se -","- C16 H3 F20 O2 Se -","- C64 H12 F80 O8 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0667","0.0617","","","0.1723","0.1776","","","","","","1.066","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124909","14.61747","0.00011","12.39563","0.00013","20.8854","0.0002","90","","90.6913","0.0008","90","","3784.01","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C106 H168 B8 Cl8 Fe4 N32 O34 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.056","0.0558","","","0.1436","0.1439","","","","","","1.064","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124910","11.958","0.002","9.5891","0.0016","14.538","0.003","90","","92.944","0.005","90","","1664.8","0.5","200","","200","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","2","","Uchida, Kazuyuki; Ito, Soichi; Nakano, Masayoshi; Abe, Manabu; Kubo, Takashi","Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical.","Journal of the American Chemical Society","2016","138","7","2399","2410","10.1021/jacs.5b13033","","","0.71075","MoKα","","0.1298","0.0535","","","0.1602","0.2083","","","","","","0.887","","","","has coordinates,has disorder","177397","2020-10-21","18:00:00",""
"4124919","9.2394","0.0019","15.092","0.003","16.25","0.003","90","","97.337","0.004","90","","2247.4","0.8","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C70 H102 Cl4 F12 Fe2 N10 O12 S4 Si2 -","2","1","","Cussó, Olaf; Cianfanelli, Marco; Ribas, Xavi; Klein Gebbink, Robertus J. M.; Costas, Miquel","Iron Catalyzed Highly Enantioselective Epoxidation of Cyclic Aliphatic Enones with Aqueous H2O2.","Journal of the American Chemical Society","2016","138","8","2732","2738","10.1021/jacs.5b12681","","","0.71073","MoKα","","0.1194","0.0596","","","0.1178","0.1367","","","","","","1.006","","","","has coordinates","177409","2020-10-21","18:00:00",""
"4124940","6.47304","0.00018","15.3437","0.0003","8.7824","0.0002","90","","106.276","0.003","90","","837.31","0.04","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124941","10.8427","0.0002","11.51906","0.00018","12.7877","0.0003","90","","107.159","0.002","90","","1526.06","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C30 H31 N5 O8 -","- C30 H31 N5 O8 -","- C60 H62 N10 O16 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0432","0.0389","","","0.1008","0.1047","","","","","","1.038","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4125014","14.7357","0.0004","9.6701","0.0002","18.1354","0.0005","90","","113.934","0.003","90","","2362.01","0.12","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 B F20 K -","- C24 B F20 K -","- C96 B4 F80 K4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0467","","0.1192","0.1172","0.1192","","","","","","0.9923","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125015","11.3662","0.0001","19.9462","0.0002","20.7654","0.0003","90","","91.3439","0.001","90","","4706.48","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H72 B N3 Si Sn -","- C47 H72 B N3 Si Sn -","- C188 H288 B4 N12 Si4 Sn4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0483","","0.0518","0.0515","0.0514","","","","","","1.0186","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125020","4.5885","0.0004","10.0115","0.0009","16.2053","0.0013","90","","90.413","0.005","90","","744.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 I N6 O3 -","- C10 H13 I N6 O3 -","- C20 H26 I2 N12 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0511","0.0355","","","0.0787","0.0864","","","","","","1.039","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125027","6.4872","0.0004","18.0297","0.0012","8.1708","0.0006","90","","90.0076","0.0017","90","","955.68","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 S -","- C25 H22 S -","- C50 H44 S2 -","2","1","","Wang, Yi-Ming; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Hydroallylation of Vinylarenes.","Journal of the American Chemical Society","2016","138","15","5024","5027","10.1021/jacs.6b02527","","","0.71073","MoKα","","0.0311","0.0303","","","0.0802","0.081","","","","","","1.049","","","","has coordinates,has disorder","182498","2020-10-21","18:00:00",""
"4125029","6.0162","0.0003","17.8089","0.0007","16.1195","0.0005","90","","94.191","0.003","90","","1722.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","2","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0529","0.043","","","0.103","0.1107","","","","","","1.03","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125045","18.6699","0.0009","18.7951","0.0009","33.5586","0.0016","90","","94.656","0.002","90","","11736.9","1","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C235 H215 N33 O57 -","- C235 H215 N33 O57 -","- C470 H430 N66 O114 -","2","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.0825","0.0703","","","0.1912","0.2023","","","","","","1.055","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125047","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Han, Tianxu; Shen, John Paul; Rana, Tariq; Siegel, Dionicio","Synthesis of Eupalinilide E, a Promoter of Human Hematopoietic Stem and Progenitor Cell Expansion.","Journal of the American Chemical Society","2016","138","18","6068","6073","10.1021/jacs.6b03055","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","183565","2020-10-21","18:00:00",""
"4125071","5.73","0.0008","20.761","0.003","8.5902","0.0012","90","","100.442","0.002","90","","1005","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C48 H40 N4 O8 S2 -","2","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0663","0.064","","","0.1806","0.1849","","","","","","1.517","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125086","9.1983","0.001","16.7173","0.0018","13.7123","0.0015","90","","90.549","0.002","90","","2108.5","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C80 H88 N8 O24 S8 -","8","4","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","0.71073","MoKα","","0.0292","0.0285","","","0.0741","0.0746","","","","","","1.028","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125087","5.9854","0.0007","7.5004","0.0008","18.085","0.002","90","","97.565","0.004","90","","804.82","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0243","0.0233","","","0.058","0.0587","","","","","","1.031","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125099","11.543","0.0008","7.5993","0.0005","14.3503","0.001","90","","99.189","0.004","90","","1242.64","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H40 Li N5 O11 -","- C18 H40 Li N5 O11 -","- C36 H80 Li2 N10 O22 -","2","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","1.54178","CuKα","","0.0519","0.0342","","","0.0598","0.0653","","","","","","1.029","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125110","8.4234","0.0003","16.0108","0.0006","8.5636","0.0003","90","","101.32","0.002","90","","1132.47","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 Cl Cu N2 -","- C22 H36 Cl Cu N2 -","- C44 H72 Cl2 Cu2 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.038","0.034","","","0.0796","0.0822","","","","","","1.021","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125111","6.3999","0.00018","18.9408","0.0006","11.3358","0.0004","90","","92.523","0.003","90","","1372.78","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C52 H76 N12 S4 -","4","2","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0394","0.0347","","","0.0794","0.0819","","","","","","1.022","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125213","15.7207","0.001","24.401","0.0016","19.1401","0.0013","90","","108.67","0.003","90","","6955.8","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au Cl4 O76 Rb -","- C84 H152 Au Cl4 O76 Rb -","- C168 H304 Au2 Cl8 O152 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0849","0.081","","","0.2185","0.2247","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125216","13.951","0.0005","23.8573","0.001","16.0436","0.0006","90","","96.2619","0.0019","90","","5308","0.4","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H130 Au Cl4 O65 Rb -","- C72 H130 Au Cl4 O65 Rb -","- C144 H260 Au2 Cl8 O130 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0366","0.0363","","","0.0962","0.0967","","","","","","1.028","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125217","15.7324","0.0009","24.3405","0.0013","19.2739","0.0012","90","","108.952","0.003","90","","6980.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C168 H304 Au1.6 Cl6.4 Na1.6 O152 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0475","0.0469","","","0.1276","0.1284","","","","","","1.02","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125221","15.8404","0.0004","24.5602","0.0006","19.0823","0.0006","90","","108.399","0.002","90","","7044.3","0.3","100","2","99.95","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H164 Au0.78 Br3.1 O82 Rb0.78 -","- C84 H164 Au0.775 Br3.1 O82 Rb0.775 -","- C168 H328 Au1.55 Br6.2 O164 Rb1.55 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0748","0.069","","","0.1875","0.1938","","","","","","1.064","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125223","16.3326","0.0007","14.2587","0.0006","23.6886","0.0009","90","","90.021","0.002","90","","5516.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H139 Au0.89 Br3.76 Cs1.1 O69.5 -","- C72 H139.01 Au0.885 Br3.761 Cs1.102 O69.505 -","- C144 H278.02 Au1.77 Br7.522 Cs2.204 O139.01 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0581","0.058","","","0.1582","0.1583","","","","","","1.033","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125224","16.3791","0.001","14.2585","0.0008","23.6538","0.0013","90","","90.259","0.003","90","","5524.1","0.5","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H142 Au Br4 O69 Rb -","- C74 H142 Au Br4 O69 Rb -","- C148 H284 Au2 Br8 O138 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0513","0.0512","","","0.1421","0.1424","","","","","","1.074","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125282","9.5907","0.0002","17.2393","0.0004","13.3259","0.0003","90","","109.602","0.0011","90","","2075.58","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl2 F N2 O4 -","- C19 H19 Cl2 F N2 O4 -","- C76 H76 Cl8 F4 N8 O16 -","4","2","","Vara, Brandon A.; Johnston, Jeffrey N.","Enantioselective Synthesis of β-Fluoro Amines via β-Amino α-Fluoro Nitroalkanes and a Traceless Activating Group Strategy","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b07731","","","0.71073","MoKα","","0.0358","0.0333","","","0.0864","0.0888","","","","","","1.024","","","","has coordinates","187374","2020-10-21","18:00:00",""
"4125286","9.87","0.002","33.746","0.004","9.87","0.002","90","","106.454","0.003","90","","3152.8","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","4","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Enantioselective Formation of All-Carbon Quaternary Centers via C-H Functionalization of Methanol: Iridium-Catalyzed Diene Hydrohydroxymethylation.","Journal of the American Chemical Society","2016","138","43","14210","14213","10.1021/jacs.6b09333","","","0.71073","MoKα","","0.0864","0.049","","","0.0829","0.0918","","","","","","0.96","","","","has coordinates,has disorder","187910","2020-10-21","18:00:00",""
"4125332","5.9674","0.0003","26.9049","0.0015","12.112","0.0007","90","","90.059","0.004","90","","1944.61","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","xj-04-076","hartwig133","","- C21 H14 F5 N O3 S -","- C21 H14 F5 N O3 S -","- C84 H56 F20 N4 O12 S4 -","4","2","","Jiang, Xingyu; Beiger, Jason J.; Hartwig, John F.","Stereodivergent Allylic Substitutions with Aryl Acetic Acid Esters by Synergistic Iridium and Lewis Base Catalysis.","Journal of the American Chemical Society","2017","139","1","87","90","10.1021/jacs.6b11692","","","1.54178","CuKα","","0.0548","0.0526","","","0.1194","0.1207","","","","","","1.056","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125336","11.5458","0.0008","16.5702","0.0012","16.8885","0.0012","90","","92.912","0.002","90","","3226.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H51 N5 O7 -","- C29 H51 N5 O7 -","- C116 H204 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0261","0.0258","","","0.0657","0.0659","","","","","","1.015","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125341","18.9459","0.0013","10.2874","0.0007","20.3541","0.0014","90","","114.654","0.002","90","","3605.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N6 O6 -","- C36 H50 N6 O6 -","- C144 H200 N24 O24 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.035","","","0.09","0.0918","","","","","","1.024","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125343","11.7452","0.0008","16.8106","0.0012","15.9153","0.0011","90","","91.065","0.002","90","","3141.8","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 N5 O7 -","- C27 H47 N5 O7 -","- C108 H188 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0361","0.0342","","","0.0925","0.0944","","","","","","1.026","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125348","5.909","0.0004","24.4001","0.0017","10.6197","0.0007","90","","102.609","0.003","90","","1494.22","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C52 H94 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0303","0.0292","","","0.0738","0.0743","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125350","9.9289","0.0007","14.2705","0.001","11.0675","0.0008","90","","98.876","0.007","90","","1549.38","0.19","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C52 H90 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0656","0.0611","","","0.1615","0.1675","","","","","","1.05","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125353","11.0991","0.0003","9.255","0.0003","16.0095","0.0011","90","","100.869","0.007","90","","1615.03","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C60 H92 N12 O12 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0507","0.0441","","","0.1039","0.1137","","","","","","1.103","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125354","12.0174","0.0008","9.4647","0.0007","13.6217","0.001","90","","106.691","0.003","90","","1484.07","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H46 N4 O7 -","- C27 H46 N4 O7 -","- C54 H92 N8 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0518","0.0387","","","0.0848","0.0918","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125356","11.7165","0.0008","16.9463","0.0012","16.0776","0.0011","90","","91.257","0.003","90","","3191.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H49 N5 O7 -","- C28 H49 N5 O7 -","- C112 H196 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0426","0.0376","","","0.0941","0.0966","","","","","","1.046","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125358","10.6027","0.0007","8.8911","0.0006","15.9646","0.0011","90","","97.122","0.002","90","","1493.37","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H43 N5 O7 -","- C29 H43 N5 O7 -","- C58 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0262","0.0252","","","0.063","0.0635","","","","","","1.045","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125361","10.6617","0.0004","8.8095","0.0004","15.8579","0.0007","90","","97.106","0.002","90","","1478","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H43 N5 O7 -","- C28 H43 N5 O7 -","- C56 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0556","0.0434","","","0.1043","0.1108","","","","","","1.062","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125363","9.6527","0.0007","18.7582","0.0013","10.5398","0.0007","90","","115.399","0.002","90","","1724","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N7 O9 -","- C29 H53 N7 O9 -","- C58 H106 N14 O18 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0348","0.0291","","","0.0646","0.0667","","","","","","1.038","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125365","9.8381","0.0002","10.3396","0.0002","25.5626","0.0018","90","","97.525","0.007","90","","2577.9","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N5 O7 -","- C22 H37 N5 O7 -","- C88 H148 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54187","CuKα","","0.047","0.0433","","","0.1104","0.1137","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125367","12.3684","0.0007","18.2504","0.0009","13.2045","0.0008","90","","108.027","0.003","90","","2834.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H88 Li4 N4 O8 -","- C58 H88 Li4 N4 O8 -","- C116 H176 Li8 N8 O16 -","2","1","","Yu, Kai; Lu, Ping; Jackson, Jeffrey J.; Nguyen, Thuy-Ai D; Alvarado, Joseph; Stivala, Craig E.; Ma, Yun; Mack, Kyle A.; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Lithium Enolates in the Enantioselective Construction of Tetrasubstituted Carbon Centers with Chiral Lithium Amides as Noncovalent Stereodirecting Auxiliaries.","Journal of the American Chemical Society","2017","139","1","527","533","10.1021/jacs.6b11673","","","0.71073","MoKα","","0.1005","0.0624","","","0.1385","0.1569","","","","","","1.019","","","","has coordinates","193469","2020-10-21","18:00:00",""
"4125405","11.4951","0.0008","6.5903","0.0005","12.7868","0.0009","90","","105.513","0.003","90","","933.39","0.12","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C40 H68 O10 -","2","1","","Rudolf, Jeffrey D.; Dong, Liao-Bin; Manoogian, Karina; Shen, Ben","Biosynthetic Origin of the Ether Ring in Platensimycin.","Journal of the American Chemical Society","2016","138","51","16711","16721","10.1021/jacs.6b09818","","","0.71073","MoKα","","0.0548","0.0473","","","0.1201","0.1266","","","","","","1.062","","","","has coordinates","189862","2020-10-21","18:00:00",""
"4125436","9.6649","0.0015","5.7972","0.0009","25.224","0.004","90","","99.212","0.004","90","","1395.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F2 O5 S2 -","- C12 H14 F2 O5 S2 -","- C48 H56 F8 O20 S8 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","K-L~3~","0.0389","0.0334","","","0.0731","0.0762","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125437","7.8306","0.0011","5.4318","0.0007","20.139","0.003","90","","98.442","0.006","90","","847.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O3 S2 -","- C18 H18 F2 O3 S2 -","- C36 H36 F4 O6 S4 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0673","0.0675","","","","","","1.055","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125439","10.9261","0.0007","5.0669","0.0003","14.3346","0.0009","90","","107.161","0.002","90","","758.25","0.08","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 N2 O2 S -","- C15 H15 F3 N2 O2 S -","- C30 H30 F6 N4 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0302","0.0278","","","0.0649","0.0664","","","","","","1.049","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125440","9.5529","0.0003","5.9734","0.0002","35.8785","0.0011","90","","90.348","0.002","90","","2047.31","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0579","0.046","","","0.1033","0.1088","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125449","12.5748","0.0009","5.6465","0.0004","21.2806","0.0016","90","","97.453","0.004","90","","1498.23","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H24 Br3 N O9 -","- C30 H24 Br3 N O9 -","- C60 H48 Br6 N2 O18 -","2","1","","Sanhueza, Carlos A.; Baksh, Michael M.; Thuma, Benjamin; Roy, Marc D.; Dutta, Sanjay; Préville, Cathy; Chrunyk, Boris A.; Beaumont, Kevin; Dullea, Robert; Ammirati, Mark; Liu, Shenping; Gebhard, David; Finley, James E.; Salatto, Christopher T.; King-Ahmad, Amanda; Stock, Ingrid; Atkinson, Karen; Reidich, Benjamin; Lin, Wen; Kumar, Rajesh; Tu, Meihua; Menhaji-Klotz, Elnaz; Price, David A.; Liras, Spiros; Finn, M. G.; Mascitti, Vincent","Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.","Journal of the American Chemical Society","2017","139","9","3528","3536","10.1021/jacs.6b12964","","","1.54178","CuKα","","0.0589","0.0563","","","0.1658","0.1701","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4125473","11.0523","0.0006","15.3821","0.0009","27.7478","0.0016","90","","91.969","0.003","90","","4714.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H52 O P2 S4 V -","- C54 H52 O P2 S4 V -","- C216 H208 O4 P8 S16 V4 -","4","2","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.033","0.0299","","","0.0698","0.0714","","","","","","1.027","","","","has coordinates","193478","2020-10-21","18:00:00",""
"4125541","9.95597","0.00012","7.08249","0.00009","11.73782","0.00013","90","","94.2701","0.0011","90","","825.372","0.017","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C38 H24 Br2 N2 O8 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0287","0.0284","","","0.0768","0.0773","","","","","","1.062","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125545","17.3782","0.0005","24.308","0.0007","29.6232","0.0008","90","","100.01","0.002","90","","12323.2","0.6","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","NDI Cage","","- C124 H116 N12 O12 -","- C124 H116 N12 O12 -","- C496 H464 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","x-ray","1.54178","CuKα","","0.1539","0.0887","","","0.2","0.2468","","","","","","0.98","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125548","12.489","0.003","27.457","0.005","14.1","0.002","90","","104.753","0.006","90","","4675.6","1.6","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H96 Co3 N14 O12 -","- C106 H96 Co3 N14 O12 -","- C212 H192 Co6 N28 O24 -","2","1","","Wu, Yilei; Krzyaniak, Matthew D.; Stoddart, J. Fraser; Wasielewski, Michael R.","Spin Frustration in the Triradical Trianion of a Naphthalenediimide Molecular Triangle.","Journal of the American Chemical Society","2017","139","8","2948","2951","10.1021/jacs.7b00515","","","1.54178","CuKα","","0.037","0.0341","","","0.0881","0.0899","","","","","","1.024","","","","has coordinates","193485","2020-10-21","18:00:00",""
"4125563","9.1847","0.0004","26.7032","0.0009","9.8011","0.0004","90","","92.742","0.004","90","","2401.07","0.16","176","2","176","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H46 Cl2 N8 O7 S5 -","- C34 H46 Cl2 N8 O7 S5 -","- C68 H92 Cl4 N16 O14 S10 -","2","1","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","0.71073","MoKα","","0.1461","0.1263","","","0.3341","0.3549","","","","","","1.296","","","","has coordinates","197417","2020-10-21","18:00:00",""
"4125589","9.5002","0.0002","12.7386","0.0003","16.6006","0.0004","90","","90.605","0.001","90","","2008.88","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O Si -","- C23 H26 N2 O Si -","- C92 H104 N8 O4 Si4 -","4","2","","Gribble, Jr, Michael W; Pirnot, Michael T.; Bandar, Jeffrey S.; Liu, Richard Y.; Buchwald, Stephen L.","Asymmetric Copper Hydride-Catalyzed Markovnikov Hydrosilylation of Vinylarenes and Vinyl Heterocycles.","Journal of the American Chemical Society","2017","139","6","2192","2195","10.1021/jacs.6b13029","","","1.54178","CuKα","","0.0308","0.0307","","","0.0834","0.0835","","","","","","1.034","","","","has coordinates,has disorder","193513","2020-10-21","18:00:00",""
"4125613","12.4308","0.0004","12.3216","0.0004","13.8664","0.0004","90","","102.979","0.001","90","","2069.62","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H54 O6 Si -","- C49 H54 O6 Si -","- C98 H108 O12 Si2 -","2","1","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","1.54178","CuKα","","0.0252","0.0248","","","0.0674","0.0681","","","","","","1.039","","","","has coordinates","192875","2020-10-21","18:00:00",""
"4125614","7.8041","0.0003","5.9064","0.0002","19.9549","0.0008","90","","94.7261","0.0017","90","","916.68","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C44 H42 Br2 O6 -","2","1","","Bartlett, Samuel L.; Keiter, Kimberly M.; Johnson, Jeffrey S.","Synthesis of Complex Tertiary Glycolates by Enantioconvergent Arylation of Stereochemically Labile α-Keto Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00943","","","1.54178","CuKα","","0.0233","0.0223","","","0.0537","0.0541","","","","","","1.06","","","","has coordinates","192876","2020-10-21","18:00:00",""
"4125638","13.965","0.003","28.537","0.006","14.7","0.003","90","","109.25","0.03","90","","5531","2","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C238 H290 F6 Ir4 N4 O14 P4 S2 -","2","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0717","0.0537","","","0.1074","0.1201","","","","","","0.998","","","","has coordinates,has disorder","193035","2020-10-21","18:00:00",""
"4125640","10.818","0.002","14.5","0.003","12.569","0.003","90","","102.765","0.004","90","","1922.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 S -","- C20 H25 B O3 S -","- C80 H100 B4 O12 S4 -","4","2","","Lovinger, Gabriel J.; Aparece, Mark D.; Morken, James P.","Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron ""Ate"" Complexes and C(sp(2)) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger.","Journal of the American Chemical Society","2017","139","8","3153","3160","10.1021/jacs.6b12663","","","0.71073","MoKα","","0.0565","0.05","","","0.1114","0.115","","","","","","1.059","","","","has coordinates,has disorder","193037","2020-10-21","18:00:00",""
"4125661","11.229","0.016","6.209","0.009","14.14","0.02","90","","113.29","0.02","90","","906","2","130","2","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.2564","0.0959","","","0.1869","0.2626","","","","","","0.953","","","","has coordinates","193058","2020-10-21","18:00:00",""
"4125664","6.1968","0.0011","17.198","0.003","8.2164","0.0015","90","","109.494","0.004","90","","825.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0515","0.0462","","","0.1108","0.1151","","","","","","1.048","","","","has coordinates","193061","2020-10-21","18:00:00",""
"4125683","5.4305","0.0005","14.9364","0.0014","12.9201","0.0012","90","","91.931","0.002","90","","1047.38","0.17","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O2 S -","- C23 H27 F2 N O2 S -","- C46 H54 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.044","0.0354","","","0.0751","0.0794","","","","","","1.038","","","","has coordinates","193080","2020-10-21","18:00:00",""
"4125687","9.5438","0.0002","5.9781","0.0001","35.8879","0.0007","90","","90.349","0.001","90","","2047.5","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","1.54178","CuKα","","0.0364","0.0335","","","0.0872","0.0973","","","","","","1.1535","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4125698","11.962","0.013","3.883","0.004","13.154","0.015","90","","104.983","0.015","90","","590.2","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 Cl2 F O2 -","- C13 H7 Cl2 F O2 -","- C26 H14 Cl4 F2 O4 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0596","0.0567","","","0.1451","0.1673","","","","","","1.107","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125735","11.7711","0.0017","18.123","0.003","12.1515","0.0018","90","","113.687","0.003","90","","2373.9","0.6","100","","100","","","","","","","","dichloromethane","7","P 1 21 1","P 2yb","4","","Title","","- C51 H52 F6 N2 O4 P Sb -","- C51 H52 F6 N2 O4 P Sb -","- C102 H104 F12 N4 O8 P2 Sb2 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.057","0.0407","","","0.0764","0.0816","","","","","","1.054","","","","has coordinates,has disorder","193114","2020-10-21","18:00:00",""
"4125751","10.736","0.0003","7.55","0.0003","20.7875","0.0007","90","","93.636","0.003","90","","1681.58","0.1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O4 -","- C17.992 H19 N3 O4 -","- C71.968 H76 N12 O16 -","4","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0548","0.0448","","","0.0962","0.1045","","","","","","1.066","","","","has coordinates,has disorder","193127","2020-10-21","18:00:00",""
"4125779","7.25525","0.00005","19.25052","0.00014","7.53413","0.00005","90","","95.0908","0.0006","90","","1048.12","0.013","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0376","0.0375","","","0.0906","0.0908","","","","","","1.102","","","","has coordinates","193153","2020-10-21","18:00:00",""
"4125780","9.55555","0.00016","7.80421","0.0001","25.874","0.0004","90","","90.4089","0.0015","90","","1929.47","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 F O3 -","- C23 H31 F O3 -","- C92 H124 F4 O12 -","4","2","","Pitts, Cody Ross; Bume, Desta Doro; Harry, Stefan Andrew; Siegler, Maxime A.; Lectka, Thomas","Multiple Enone-Directed Reactivity Modes Lead to the Selective Photochemical Fluorination of Polycyclic Terpenoid Derivatives.","Journal of the American Chemical Society","2017","139","6","2208","2211","10.1021/jacs.7b00335","","","1.54178","CuKα","","0.0387","0.0384","","","0.0998","0.1002","","","","","","1.038","","","","has coordinates,has disorder","193154","2020-10-21","18:00:00",""
"4125807","11.1787","0.0005","10.1691","0.0004","13.5949","0.0006","90","","112.182","0.002","90","","1431.05","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 Cl Fe O4 P2 -","- C26 H43 Cl Fe O4 P2 -","- C52 H86 Cl2 Fe2 O8 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0451","0.0436","","","0.1117","0.1125","","","","","","1.077","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125833","10.532","0.002","20.908","0.004","12.844","0.003","90","","102.278","0.004","90","","2763.6","1","100","0.2","100","0.2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C112 H112 Cl8 Cu2 F6 N8 O6 Pd2 S2 -","2","1","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0508","0.0383","","","0.0777","0.083","","","","","","1.037","","","","has coordinates,has disorder","193187","2020-10-21","18:00:00",""
"4125868","8.4867","0.0006","42.907","0.003","8.6105","0.0006","90","","118.846","0.001","90","","2746.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H41 I N2 O4 -","- C25 H41 I N2 O4 -","- C100 H164 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0532","0.0517","","","0.1218","0.1244","","","","","","1.142","","","","has coordinates","194846","2020-10-21","18:00:00",""
"4125874","14.276","0.0006","15.7178","0.0007","14.3256","0.0006","90","","103.244","0.002","90","","3129","0.2","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","z1056","","","- C60 H58 F12 N6 P4 Ru -","- C60 H58 F12 N6 P4 Ru -","- C120 H116 F24 N12 P8 Ru2 -","2","1","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0339","0.0278","","","0.0547","0.0563","","","","","","1.023","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125891","8.265","0.0006","42.3212","0.0019","8.6657","0.0005","90","","117.963","0.008","90","","2677.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 I N2 O4 -","- C24 H39 I N2 O4 -","- C96 H156 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.7107","MoKα","","0.1125","0.0685","","","0.1318","0.144","","","","","","1.025","","","","has coordinates","194746","2020-10-21","18:00:00",""
"4125892","11.4085","0.0005","12.0467","0.0004","12.3818","0.0005","90","","103.436","0.0016","90","","1655.11","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 I N2 O9 -","- C28 H47 I N2 O9 -","- C56 H94 I2 N4 O18 -","2","1","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0174","0.0167","","","0.041","0.0413","","","","","","1.099","","","","has coordinates,has disorder","194747","2020-10-21","18:00:00",""
"4125903","15.473","0.003","6.5866","0.0013","19.166","0.004","90","","92.601","0.005","90","","1951.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 F3 N O5 S -","- C17 H20 F3 N O5 S -","- C68 H80 F12 N4 O20 S4 -","4","2","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0707","0.0541","","","0.1183","0.1279","","","","","","1.023","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125927","12.526","0.002","5.7575","0.0009","18.983","0.003","90","","109.135","0.003","90","","1293.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C60 H58 N2 O6 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0591","0.0486","","","0.1096","0.1155","","","","","","1.019","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125940","9.4659","0.0001","8.507","0.0001","16.685","0.0002","90","","104.068","0.001","90","","1303.29","0.03","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 B N3 O2 S -","- C27 H34 B N3 O2 S -","- C54 H68 B2 N6 O4 S2 -","2","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0447","0.0441","","","0.1281","0.1291","","","","","","1.075","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125982","6.7844","0.0004","7.0774","0.0006","17.2752","0.001","90","","100.264","0.005","90","","816.21","0.1","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br3 O -","- C16 H13 Br3 O -","- C32 H26 Br6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.0716","0.0584","","","0.1273","0.1421","","","","","","1.123","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4126070","9.4048","0.0005","9.2801","0.0005","17.2135","0.0009","90","","98.63","0.003","90","","1485.34","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","SVK3_32","","","- C23 H23 F18 Mo N O7 -","- C23 H23 F18 Mo N O7 -","- C46 H46 F36 Mo2 N2 O14 -","2","1","","von Kugelgen, Stephen; Sifri, Renee; Bellone, Donatela; Fischer, Felix R.","Regioselective Carbyne Transfer to Ring-Opening Alkyne Metathesis Initiators Gives Access to Telechelic Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02225","","","0.71073","MoKα","","0.0544","0.04","","","0.0768","0.082","","","","","","0.994","","","","has coordinates","196975","2020-10-21","18:00:00",""
"4126097","6.3437","0.0004","16.5128","0.0014","9.2201","0.0007","90","","109.431","0.004","90","","910.82","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N O -","- C23 H18 Br N O -","- C46 H36 Br2 N2 O2 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0212","0.0205","","","0.0535","0.0538","","","","","","1.044","","","","has coordinates","197245","2020-10-21","18:00:00",""
"4126098","19.8748","0.0019","9.4591","0.0009","20.538","0.002","90","","108.334","0.003","90","","3665.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br2 N -","- C21 H19 Br2 N -","- C168 H152 Br16 N8 -","8","4","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0455","0.0349","","","0.0702","0.0752","","","","","","1.032","","","","has coordinates,has disorder","197246","2020-10-21","18:00:00",""
"4126158","5.8162","0.0008","14.731","0.002","14.1976","0.0019","90","","95.494","0.003","90","","1210.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 O6 P -","- C23 H35 O6 P -","- C46 H70 O12 P2 -","2","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0776","0.06","","","0.1218","0.131","","","","","","1.001","","","","has coordinates,has disorder","197291","2020-10-21","18:00:00",""
"4126161","8.0948","0.0003","6.72581","0.00017","9.5368","0.0003","90","","110.999","0.004","90","","484.74","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O2 -","- C10 H8 F3 N O2 -","- C20 H16 F6 N2 O4 -","2","1","","Tinoco, Antonio; Steck, Viktoria; Tyagi, Vikas; Fasan, Rudi","Highly Diastereo- and Enantioselective Synthesis of Trifluoromethyl-Substituted Cyclopropanes via Myoglobin-Catalyzed Transfer of Trifluoromethylcarbene.","Journal of the American Chemical Society","2017","139","15","5293","5296","10.1021/jacs.7b00768","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0791","0.0796","","","","","","1.065","","","","has coordinates","197294","2020-10-21","18:00:00",""
"4126175","9.8618","0.0004","6.3632","0.0002","11.405","0.0006","90","","112.453","0.005","90","","661.44","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C24 H26 Cl6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.045","0.0354","","","0.08","0.0874","","","","","","1.046","","","","has coordinates","197301","2020-10-21","18:00:00",""
"4126191","6.029","0.0002","10.7498","0.0004","11.652","0.0004","90","","92.969","0.001","90","","754.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C34 H38 N6 O4 -","2","1","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0288","0.0273","","","0.0704","0.0711","","","","","","1.026","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126211","11.375","0.01","7.357","0.006","11.576","0.009","90","","116.91","0.04","90","","863.9","1.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H13 Br Cl F3 O2 -","- C18 H13 Br Cl F3 O2 -","- C36 H26 Br2 Cl2 F6 O4 -","2","1","","Holmes, Michael; Nguyen, Khoa D.; Schwartz, Leyah A.; Luong, Tom; Krische, Michael J.","Enantioselective Formation of CF3-Bearing All-Carbon Quaternary Stereocenters via C‒H Functionalization of Methanol: Iridium Catalyzed Allene Hydrohydroxymethylation","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04374","","","0.71073","MoKα","","0.1164","0.0602","","","0.1358","0.156","","","","","","0.981","","","","has coordinates","197741","2020-10-21","18:00:00",""
"4126212","24.3868","0.0011","13.2612","0.0006","24.971","0.001","90","","90.327","0.002","90","","8075.4","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EcoMOF-1","","","- C76 H127 Ca14 O76 -","- C76 H127 Ca14 O76 -","- C152 H254 Ca28 O152 -","2","1","","Yang, Jingjing; Trickett, Christopher A.; Alahmadi, Salman B.; Alshammari, Ahmad S.; Yaghi, Omar M.","Calcium l-Lactate Frameworks as Naturally Degradable Carriers for Pesticides.","Journal of the American Chemical Society","2017","139","24","8118","8121","10.1021/jacs.7b04542","","","0.7749","synchrotron","","0.0755","0.0621","","","0.1685","0.1772","","","","","","1.076","","","","has coordinates,has disorder","200660","2020-10-21","18:00:00",""
"4126219","15.6209","0.0009","15.3949","0.0009","16.1527","0.0009","90","","91.0621","0.0014","90","","3883.8","0.4","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","Americium hexachloride","","","- C72 H59.19 Am Cl6 N0 P3 -","- C72 H59.16 Am Cl6 P3 -","- C144 H118.32 Am2 Cl12 P6 -","2","1","","Cross, Justin N.; Su, Jing; Batista, Enrique R.; Cary, Samantha K.; Evans, William J.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Windorff, Cory J.; Yang, Ping","Covalency in Americium(III) Hexachloride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03755","","","0.71073","MoKα","","0.0643","0.0473","","","0.1193","0.1297","","","","","","0.826","","","","has coordinates","197854","2020-10-21","18:00:00",""
"4126228","9.1353","0.0011","14.1491","0.0017","11.2404","0.0013","90","","108.677","0.002","90","","1376.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H49 B O Si -","- C28 H49 B O Si -","- C56 H98 B2 O2 Si2 -","2","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0553","0.0454","","","0.0981","0.1019","","","","","","1.009","","","","has coordinates","200668","2020-10-21","18:00:00",""
"4126231","9.2809","0.001","24.198","0.003","11.1739","0.0007","90","","104.854","0.004","90","","2425.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O13 -","- C20 H31 N O13 -","- C80 H124 N4 O52 -","4","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.03","0.0287","","","0.0726","0.0736","","","","","","1.034","","","","has coordinates","200667","2020-10-21","18:00:00",""
"4126245","5.55621","0.0001","26.2064","0.0005","8.18405","0.00015","90","","92.4361","0.0008","90","","1190.59","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F2 N O -","- C13 H15 F2 N O -","- C52 H60 F8 N4 O4 -","4","2","","Banik, Steven M.; Mennie, Katrina; Jacobsen, Eric N.","Catalytic 1,3-Difunctionalization via Oxidative C-C Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05160","","","1.54178","CuKα","","0.0334","0.0328","","","0.0951","0.0961","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4126249","6.4316","0.0005","8.2971","0.0006","11.1074","0.0008","90","","92.841","0.002","90","","592","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","","Jiang, Huiling; Lang, Kai; Lu, Hongjian; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Bicyclization of Allyl Azidoformates via Cobalt(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05778","","","1.54178","CuKα","","0.0257","0.0256","","","0.0706","0.0707","","","","","","1.025","","","","has coordinates","198260","2020-10-21","18:00:00",""
"4126264","11.3968","0.0005","5.98855","0.00018","11.9533","0.0006","90","","112.265","0.005","90","","754.99","0.06","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 Si -","- C18 H18 Si -","- C36 H36 Si2 -","2","1","","Cheng, Biao; Lu, Peng; Zhang, Heyi; Cheng, Xinpeng; Lu, Zhan","Highly Enantioselective Cobalt-Catalyzed Hydrosilylation of Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04137","","","1.54184","CuKα","","0.0631","0.0615","","","0.1604","0.1652","","","","","","1.053","","","","has coordinates","198549","2020-10-21","18:00:00",""
"4126283","15.9373","0.0006","6.0706","0.0002","16.2408","0.0006","90","","105.336","0.002","90","","1515.33","0.1","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","2","","Kim, Daniel K.; Riedel, Jan; Kim, Raphael S.; Dong, Vy M.","Cobalt Catalysis for Enantioselective Cyclobutanone Construction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05327","","","1.54178","CuKα","","0.0338","0.0319","","","0.077","0.0785","","","","","","1.057","","","","has coordinates,has disorder","198724","2020-10-21","18:00:00",""
"4126328","7.2193","0.0004","6.1407","0.0004","13.5485","0.0007","90","","92.901","0.005","90","","599.86","0.06","98","","98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C24 H44 O4 -","2","1","","Jin, Shengfei; Nguyen, Vu T.; Dang, Hang T.; Nguyen, Dat P.; Arman, Hadi D.; Larionov, Oleg V.","Photoinduced Carboborative Ring Contraction Enables Regio- and Stereoselective Synthesis of Multiply Substituted Five-Membered Carbocycles and Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07128","","x-ray","0.71073","MoKα","","0.0383","0.0368","","","0.0925","0.0937","","","","","","1.025","","","","has coordinates","199706","2020-10-21","18:00:00",""
"4126332","10.5635","0.0007","13.8678","0.0009","18.2585","0.0012","90","","94.633","0.001","90","","2666","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 B10 O5 -","- C25 H28 B10 O5 -","- C100 H112 B40 O20 -","4","2","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.0335","0.0314","","","0.0819","0.0832","","","","","","1.039","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126415","7.4448","0.0002","5.7199","0.0002","16.4982","0.0007","90","","90.354","0.003","90","","702.54","0.04","293.5","0.2","293.5","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C30 H24 Br2 N6 O2 -","2","1","","Zhou, Pengfei; Lin, Lili; Chen, Long; Zhong, Xia; Liu, Xiaohua; Feng, Xiaoming","Iron-Catalyzed Asymmetric Haloazidation of α,β-Unsaturated Ketones: Construction of Organic Azides with Two Vicinal Stereocenters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06029","","x-ray","1.54184","CuKα","","0.0483","0.047","","","0.1257","0.1292","","","","","","1.119","","","","has coordinates","200962","2020-10-21","18:00:00",""
"4126448","10.1094","0.0006","6.1675","0.0004","16.2477","0.0012","90","","91.584","0.006","90","","1012.65","0.12","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C25 H32 -","- C25 H32 -","- C50 H64 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.1045","0.0703","","","0.1616","0.1777","","","","","","1.044","","","","has coordinates","201228","2020-10-21","18:00:00",""
"4126449","6.0054","0.0007","31.426","0.004","7.3514","0.001","90","","90.918","0.007","90","","1387.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 Br -","- C17 H15 Br -","- C68 H60 Br4 -","4","2","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0864","0.0791","","","0.1903","0.1934","","","","","","1.174","","","","has coordinates","201229","2020-10-21","18:00:00",""
"4126451","15.467","0.0005","6.10912","0.00017","16.5386","0.0005","90","","115.627","0.004","90","","1409","0.09","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C36 H42 -","- C36 H42 -","- C72 H84 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0581","0.0422","","","0.1199","0.1351","","","","","","0.725","","","","has coordinates","201231","2020-10-21","18:00:00",""
"4126452","8.3202","0.0003","6.0778","0.0002","16.2853","0.0005","90","","98.97","0.003","90","","813.45","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 S -","- C19 H22 S -","- C38 H44 S2 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0581","0.0473","","","0.1222","0.1284","","","","","","1.037","","","","has coordinates","201232","2020-10-21","18:00:00",""
"4126453","10.7462","0.0008","10.3072","0.0009","20.126","0.003","90","","90.695","0.004","90","","2229.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H45 Au2 Cl3 Fe P2 -","- C48.5 H45 Au2 Cl3 Fe P2 -","- C97 H90 Au4 Cl6 Fe2 P4 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.0496","0.0408","","","0.0883","0.094","","","","","","1.018","","","","has coordinates,has disorder","201233","2020-10-21","18:00:00",""
"4126471","7.2061","0.0003","10.2681","0.0005","22.5477","0.001","90","","94.415","0.002","90","","1663.42","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O6 S -","- C14 H20 N2 O6 S -","- C56 H80 N8 O24 S4 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0358","0.0338","","","0.0802","0.0812","","","","","","1.02","","","","has coordinates","201269","2020-10-21","18:00:00",""
"4126472","12.712","0.0004","5.4745","0.0002","12.941","0.0004","90","","105.17","0.0012","90","","869.21","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0288","0.0268","","","0.0676","0.0689","","","","","","1.047","","","","has coordinates","201270","2020-10-21","18:00:00",""
"4126473","10.4844","0.0003","11.3186","0.0003","12.8247","0.0003","90","","110.217","0.001","90","","1428.13","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H23 N O4 S -","- C11 H23 N O4 S -","- C44 H92 N4 O16 S4 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0547","0.036","","","0.0752","0.0793","","","","","","1.029","","","","has coordinates","201271","2020-10-21","18:00:00",""
"4126583","6.6711","0.0005","30.029","0.002","11.338","0.0008","90","","92.834","0.002","90","","2268.5","0.3","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","2","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0956","0.0827","","","0.2333","0.2486","","","","","","1.031","","","","has coordinates","201945","2020-10-21","18:00:00",""
"4126606","22.3586","0.0013","14.6161","0.0009","26.6473","0.0017","90","","114.583","0.003","90","","7918.9","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PDJPK15","","","- C39 H54 Cl2 Mn N4 O4 -","- C39 H54 Cl2 Mn N4 O4 -","- C312 H432 Cl16 Mn8 N32 O32 -","8","4","","Huang, Xiongyi; Zhuang, Thompson; Kates, Patrick A.; Gao, Hongxin; Chen, Xinyi; Groves, John T.","Alkyl Isocyanates via Manganese-Catalyzed C-H Activation for the Preparation of Substituted Ureas.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07658","","","1.54178","CuKα","","0.087","0.0781","","","0.205","0.2197","","","","","","1.041","","","","has coordinates,has disorder","202126","2020-10-21","18:00:00",""
"4126608","9.83592","0.00012","6.02967","0.00006","13.59401","0.00015","90","","96.8558","0.0011","90","","800.46","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Del Pozo, Sandra; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09124","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.06","0.0604","","","","","","1.03","","","","has coordinates","202128","2020-10-21","18:00:00",""
"4126625","10.3762","0.0005","9.8211","0.0004","13.1712","0.0006","90","","96.17","0.003","90","","1334.45","0.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N4 O10 P Ru -","- C23 H23 Cl N4 O10 P Ru -","- C46 H46 Cl2 N8 O20 P2 Ru2 -","2","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06096","","","0.71073","MoKα","","0.1246","0.0598","","","0.072","0.0828","","","","","","0.894","","","","has coordinates","202251","2020-10-21","18:00:00",""
"4126627","12.7272","0.0004","9.0183","0.0003","13.532","0.0004","90","","104.603","0.001","90","","1503","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl N O5 S -","- C36 H28 Cl N O5 S -","- C72 H56 Cl2 N2 O10 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.044","0.0436","","","0.1176","0.1181","","","","","","1.037","","","","has coordinates,has disorder","202273","2020-10-21","18:00:00",""
"4126631","11.5856","0.0005","9.1759","0.0004","14.3288","0.0006","90","","101.879","0.001","90","","1490.65","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl N O5 S -","- C36 H28 Cl N O5 S -","- C72 H56 Cl2 N2 O10 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0236","0.0235","","","0.0645","0.0646","","","","","","1.102","","","","has coordinates","202277","2020-10-21","18:00:00",""
"4126639","12.267","0.002","8.42","0.0014","26.875","0.004","90","","101.588","0.003","90","","2719.3","0.8","90","0.1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Cl2 F N O9 -","- C27 H26 Cl2 F N O9 -","- C108 H104 Cl8 F4 N4 O36 -","4","2","","Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.","Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09645","","","0.71073","MoKα","","0.0483","0.0362","","","0.0719","0.0754","","","","","","1.006","","","","has coordinates","202302","2020-10-21","18:00:00",""
"4126657","13.2873","0.001","16.8057","0.0011","28.318","0.002","90","","99.119","0.003","90","","6243.6","0.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","PhCBA+diene complex","","","- C123 H83 B2 F48 N4 P2 Rh -","- C123 H83 B2 F48 N4 P2 Rh -","- C246 H166 B4 F96 N8 P4 Rh2 -","2","1","","Marcum, Justin S.; Roberts, Courtney C.; Manan, Rajith S.; Cervarich, Tia N.; Meek, Simon J.","Chiral Pincer Carbodicarbene Ligands for Enantioselective Rhodium-Catalyzed Hydroarylation of Terminal and Internal 1,3-Dienes with Indoles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08575","","","0.71073","MoKα","","0.0555","0.045","","","0.1069","0.1125","","","","","","1.058","","","","has coordinates,has disorder","202384","2020-10-21","18:00:00",""
"4126719","8.1689","0.0004","8.7421","0.0004","13.5756","0.0008","90","","99.355","0.005","90","","956.59","0.09","298","0.3","298","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O5 S -","- C21 H19 N O5 S -","- C42 H38 N2 O10 S2 -","2","1","","Gui, Yong-Yuan; Hu, Naifu; Chen, Xiao-Wang; Liao, Li−Li; Ju, Tao; Ye, Jian-Heng; Zhang, Zhen; Li, Jing; Yu, Da-Gang","Highly Regio- and Enantioselective Copper-Catalyzed Reductive Hydroxymethylation of Styrenes and 1,3-Dienes with CO2","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10149","","x-ray","1.54184","CuKα","","0.0509","0.049","","","0.1345","0.1389","","","","","","1.066","","","","has coordinates","203086","2020-10-21","18:00:00",""
"4126739","7.1098","0.0007","11.329","0.0012","7.2326","0.0007","90","","95.131","0.005","90","","580.23","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0315","0.0315","","","0.084","0.0841","","","","","","1.083","","","","has coordinates","203188","2020-10-21","18:00:00",""
"4126742","18.606","0.007","18.804","0.008","19.121","0.007","90","","90.89","0.03","90","","6689","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65.69 H32.07 B F36 Ir N5 O0.84 -","- C65.69 H32.07 B F36 Ir N5 O0.845 -","- C262.76 H128.28 B4 F144 Ir4 N20 O3.38 -","4","2","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","","0.71073","MoKα","","0.0474","0.0429","","","0.1089","0.1121","","","","","","1.01","","","","has coordinates,has disorder","203355","2020-10-21","18:00:00",""
"4126769","9.1952","0.0003","7.0323","0.0002","11.6867","0.0004","90","","110.96","0.002","90","","705.7","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","MC001","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.0355","0.0335","","","0.0889","0.0899","","","","","","1.06","","","","has coordinates","203595","2020-10-21","18:00:00",""
"4126773","11.2611","0.0011","12.2636","0.0011","21.838","0.003","90","","99.105","0.011","90","","2977.9","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H32 Co2 O8 S8 -","- C60 H32 Co2 O8 S8 -","- C120 H64 Co4 O16 S16 -","2","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1822","0.1264","","","0.2998","0.3339","","","","","","1.122","","","","has coordinates","203644","2020-10-21","18:00:00",""
"4126799","11.9039","0.0003","6.01","0.0001","14.3731","0.0003","90","","112.428","0.0008","90","","950.5","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C42 H50 N6 O6 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","1.54178","CuKα","","0.0335","0.0308","","","0.0697","0.0715","","","","","","1.095","","","","has coordinates","204003","2020-10-21","18:00:00",""
"4126859","10.9474","0.0006","10.1261","0.0006","11.0142","0.0005","90","","90.925","0.002","90","","1220.81","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O8 Si -","- C24 H30 N2 O8 Si -","- C48 H60 N4 O16 Si2 -","2","1","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0622","0.0467","","","0.1013","0.1079","","","","","","1.034","","","","has coordinates","204292","2020-10-21","18:00:00",""
"4126865","10.8855","0.0005","41.9831","0.0018","10.0006","0.0004","90","","91.326","0.002","90","","4569.1","0.3","290","5","290","5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","2","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0483","0.0376","","","0.083","0.0871","","","","","","1.029","","","","has coordinates","204359","2020-10-21","18:00:00",""
"4126870","9.5107","0.0012","9.5076","0.0012","11.6475","0.0015","90","","90.025","0.003","90","","1053.2","0.2","354","2","354","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O4 S -","- C18 H35 N O4 S -","- C36 H70 N2 O8 S2 -","2","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","MoKα","","0.1149","0.0972","","","0.253","0.285","","","","","","1.161","","","","has coordinates,has disorder","204364","2020-10-21","18:00:00",""
"4126899","4.861","0.0002","9.8176","0.0004","14.4748","0.0005","90","","90.212","0.004","90","","690.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C28 H32 Br2 N2 O2 -","2","1","","Bai, Xiao-Yan; Zhang, Wen-Wen; Li, Qian; Li, Bi-Jie","Highly Enantioselective Synthesis of Propargyl Amides through Rh-Catalyzed Asymmetric Hydroalkynylation of Enamides: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12054","","","1.54178","CuKα","","0.0438","0.0411","","","0.0936","0.0956","","","","","","0.989","","","","has coordinates","204415","2020-10-21","18:00:00",""
"4126916","13.9221","0.001","23.0542","0.0015","17.7342","0.0012","90","","96.626","0.001","90","","5654","0.7","173","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 Cl18.66 Cs3 N6 O69 Ti12 -","- C24 Cl18.6667 Cs3 N6 O69 Ti12 -","- C48 Cl37.3334 Cs6 N12 O138 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1125","0.0866","","","0.2441","0.2713","","","","","","1.027","","","","has coordinates","204528","2020-10-21","18:00:00",""
"4126942","8.547","0.002","32.301","0.008","10.629","0.003","90","","91.684","0.003","90","","2933.2","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.5 H41 N2 O2 P -","- C32.5 H41 N2 O2 P -","- C130 H164 N8 O8 P4 -","4","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1285","0.0719","","","0.1572","0.1812","","","","","","1.014","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126956","14.8277","0.0018","15.771","0.002","16.569","0.002","90","","116.546","0.004","90","","3466.1","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","JLH-5-218","JLH-5-218","","- C71.73 H64.73 Cl8.54 N6.73 Ni3 O6 -","- C71.731 H64.731 Cl8.538 N6.731 Ni3 O6 -","- C143.462 H129.462 Cl17.076 N13.462 Ni6 O12 -","2","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.0541","0.0388","","","0.0842","0.0891","","","","","","1.022","","","","has coordinates,has disorder","204644","2020-10-21","18:00:00",""
"4126962","25.4435","0.0006","18.6729","0.0004","26.5311","0.0006","90","","103.131","0.002","90","","12275.4","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H231.1 Ag44 N23 O59 S20 -","- C112 H231.096 Ag44 N23 O59 S20 -","- C224 H462.192 Ag88 N46 O118 S40 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.0596","0.0517","","","0.1281","0.1319","","","","","","1.022","","","","has coordinates,has disorder","204702","2020-10-21","18:00:00",""
"4126963","20.56346","0.00016","16.62466","0.00015","20.64665","0.00018","90","","94.2166","0.0008","90","","7039.17","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H171 Ag24 N16 O35 S10 -","- C89 H171 Ag24 N16 O35 S10 -","- C178 H342 Ag48 N32 O70 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0477","0.0427","","","0.1141","0.1169","","","","","","1.073","","","","has coordinates,has disorder","204703","2020-10-21","18:00:00",""
"4126964","12.7881","0.0006","19.0112","0.0009","29.1847","0.0014","90","","101.212","0.0015","90","","6959.9","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H150.72 Ag23 N11 O28 S10 -","- C73 H150.72 Ag23 N11 O28 S10 -","- C146 H301.44 Ag46 N22 O56 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.0767","0.0463","","","0.1037","0.116","","","","","","1.027","","","","has coordinates,has disorder","204704","2020-10-21","18:00:00",""
"4126965","20.554","0.0003","16.6389","0.0002","20.6842","0.0002","90","","94.4709","0.001","90","","7052.39","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H170 Ag24 N16 O35 S10 -","- C89 H170 Ag24 N16 O35 S10 -","- C178 H340 Ag48 N32 O70 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0514","0.0439","","","0.1282","0.132","","","","","","1.143","","","","has coordinates,has disorder","204705","2020-10-21","18:00:00",""
"4126969","25.3829","0.0004","18.6898","0.0003","26.4246","0.0004","90","","103.061","0.0015","90","","12211.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H234 Ag44 N23 O58.5 S20 -","- C112 H234 Ag44 N23 O58.5 S20 -","- C224 H468 Ag88 N46 O117 S40 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.058","0.0474","","","0.1217","0.1267","","","","","","1.063","","","","has coordinates,has disorder","204709","2020-10-21","18:00:00",""
"4126970","12.7544","0.0006","18.96","0.001","29.1922","0.0015","90","","101.074","0.0016","90","","6927.9","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H147.7 Ag23 N11 O28 S10 -","- C73 H147.717 Ag23 N11 O28 S10 -","- C146 H295.433 Ag46 N22 O56 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.1094","0.0564","","","0.1317","0.1446","","","","","","1.046","","","","has coordinates,has disorder","204710","2020-10-21","18:00:00",""
"4126976","11.246","0.0005","10.5505","0.0005","13.9596","0.0007","90","","100.824","0.0009","90","","1626.85","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","sxx-2-29","","","- C15 H22 Br N O3 -","- C15 H22 Br N O3 -","- C60 H88 Br4 N4 O12 -","4","2","","Li, Kangnan; Shao, Xinxin; Tseng, Luke; Malcolmson, Steven J.","2-Azadienes as Reagents for Preparing Chiral Amines: Synthesis of 1,2-Amino Tertiary Alcohols by Cu-Catalyzed Enantioselective Reductive Couplings with Ketones.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12213","","","0.71073","MoKα","","0.0352","0.0274","","","0.0571","0.0592","","","","","","1.012","","","","has coordinates","204758","2020-10-21","18:00:00",""
"4126992","8.68","0.002","11.203","0.002","10.273","0.002","90","0.03","110.19","0.03","90","0.03","937.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C36 H50 N2 O12 -","2","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0229","0.0227","","","0.0575","0.0576","","","","","","1.05","","","","has coordinates","204942","2020-10-21","18:00:00",""
"4126993","10.1592","0.0007","11.0638","0.0008","10.3109","0.0007","90","","113.208","0.004","90","","1065.16","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C38 H56 N4 O10 -","2","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0394","0.0376","","","0.1004","0.1031","","","","","","1.071","","","","has coordinates","204943","2020-10-21","18:00:00",""
"4127033","11.3991","0.0007","5.7528","0.0004","13.4124","0.0009","90","","94.166","0.004","90","","877.22","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0453","0.04","","","0.1033","0.1078","","","","","","1.053","","","","has coordinates","205271","2020-10-21","18:00:00",""
"4127050","11.935","0.002","5.9402","0.001","12.713","0.002","90","","105.332","0.007","90","","869.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C40 H40 N4 O2 S2 -","2","1","","Jiang, Xingyu; Boehm, Philip; Hartwig, John F.","Stereodivergent Allylation of Azaaryl Acetamides and Acetates by Synergistic Iridium and Copper Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12824","","x-ray","0.71073","MoKα","","0.0375","0.0326","","","0.0797","0.0815","","","","","","1.069","","","","has coordinates","205382","2020-10-21","18:00:00",""
"4127055","10.993","0.002","9.035","0.003","13.737","0.004","90","","109.866","0.007","90","","1283.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","2","","Meza, Arismel Tena; Wurm, Thomas; Smith, Lewis; Kim, Seung Wook; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Amphiphilic π-Allyliridium C,O-Benzoates Enable Regio- and Enantioselective Amination of Branched Allylic Acetates Bearing Linear Alkyl Groups","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13482","","","0.71073","MoKα","","0.0533","0.0451","","","0.1108","0.116","","","","","","1.038","","","","has coordinates","205419","2020-10-21","18:00:00",""
"4127056","11.1563","0.0005","7.4956","0.0003","25.0848","0.0011","90","","97.112","0.002","90","","2081.53","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Br I O4 -","- C19 H24 Br I O4 -","- C76 H96 Br4 I4 O16 -","4","2","","Manoni, Francesco; Rumo, Corentin; Li, Liubo; Harran, Patrick G.","Unconventional fragment usage enables a concise total synthesis of (-)-callyspongiolide.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13591","","","0.71073","MoKα","","0.0386","0.026","","","0.0524","0.0549","","","","","","1.019","","","","has coordinates","205420","2020-10-21","18:00:00",""
"4127077","10.5499","0.0006","19.6382","0.0011","11.6438","0.0006","90","","96.629","0.002","90","","2396.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Br F3 N2 O5 -","- C23 H22 Br F3 N2 O5 -","- C92 H88 Br4 F12 N8 O20 -","4","2","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.071","0.0453","","","0.0999","0.1123","","","","","","1.016","","","","has coordinates","205582","2020-10-21","18:00:00",""
"4127090","5.2697","0.0003","13.1048","0.0007","10.231","0.0006","90","","94.186","0.002","90","","704.65","0.07","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O4 -","- C32 H48 O4 -","- C32 H48 O4 -","1","0.5","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0324","0.0315","","","0.0856","0.0867","","","","","","1.077","","","","has coordinates","205654","2020-10-21","18:00:00",""
"4127091","8.435","0.0005","9.5257","0.0006","17.6838","0.0012","90","","100.651","0.005","90","","1396.4","0.16","100","2","100.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","2","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0458","0.0368","","","0.0925","0.0995","","","","","","1.049","","","","has coordinates","205655","2020-10-21","18:00:00",""
"4127136","7.351","0.0004","6.8049","0.0004","18.1326","0.0011","90","","92.015","0.003","90","","906.48","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Huo, Xiaohong; Zhang, Jiacheng; Fu, Jingke; He, Rui; Zhang, Wanbin","Ir/Cu Dual Catalysis: Enantio- and Diastereodivergent Access to α,α-Disubstituted α-Amino Acids Bearing Vicinal Stereocenters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00187","","","1.54178","CuKα","","0.1214","0.1194","","","0.3381","0.339","","","","","","1.093","","","","has coordinates","206142","2020-10-21","18:00:00",""
"4127167","12.2856","0.0008","6.1896","0.0004","15.4428","0.0011","90","","103.702","0.004","90","","1140.9","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 I O2 -","- C12 H11 I O2 -","- C48 H44 I4 O8 -","4","2","","Knowe, Matthew T.; Danneman, Michael W.; Sun, Sarah; Pink, Maren; Johnston, Jeffrey N.","Biomimetic Desymmetrization of a Carboxylic Acid","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12185","","","0.71073","MoKα","","0.0201","0.0186","","","0.0427","0.0434","","","","","","1.056","","","","has coordinates","206203","2020-10-21","18:00:00",""
"4127209","7.5795","0.0014","5.7344","0.0012","18.702","0.004","90","","92.404","0.003","90","","812.1","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Uraguchi, Daisuke; Yamada, Kohei; Sato, Makoto; Ooi, Takashi","Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12949","","","0.71075","MoKα","","0.0204","0.0201","","","0.0547","0.0549","","","","","","1.094","","","","has coordinates","206929","2020-10-21","18:00:00",""
"4127218","7.9511","0.0016","6.7919","0.0014","8.8449","0.0018","90","","111.6","0.03","90","","444.11","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Cl N O3 -","- C6 H12 Cl N O3 -","- C12 H24 Cl2 N2 O6 -","2","1","","Matinkhoo, Kaveh; Pryyma, Alla; Todorovic, Mihajlo; Patrick, Brian O.; Perrin, David M.","Synthesis of the Death-Cap Mushroom Toxin α-Amanitin","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12698","","","0.71073","MoKα","","0.0157","0.0157","","","0.0516","0.0517","","","","","","0.507","","","","has coordinates","207040","2020-10-21","18:00:00",""
"4127272","9.786","0.002","18.799","0.005","18.955","0.005","90","","90.261","0.005","90","","3487.1","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H51 Ag N2 -","- C39 H51 Ag N2 -","- C156 H204 Ag4 N8 -","4","2","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d10 Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0631","0.0415","","","0.0799","0.0869","","","","","","1.011","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127273","9.17","0.002","15.012","0.003","9.662","0.002","90","","93.909","0.004","90","","1327","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 Ag Cl N -","- C27 H43 Ag Cl N -","- C54 H86 Ag2 Cl2 N2 -","2","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d10 Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0379","0.0342","","","0.0814","0.0838","","","","","","1.043","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127300","10.3614","0.0008","8.2138","0.0006","16.4833","0.0012","90","","101.626","0.001","90","","1374.05","0.18","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","2","","Discolo, Christopher A.; Touney, Eric E.; Pronin, Sergey V.","Catalytic Asymmetric Radical-Polar Crossover Hydroalkoxylation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10645","","","0.71073","MoKα","","0.0637","0.0517","","","0.1109","0.1191","","","","","","1.059","","","","has coordinates","219569","2020-10-21","18:00:00",""
"4127313","15.9512","0.0011","15.0324","0.0011","25.0891","0.0017","90","","90.488","0.002","90","","6015.8","0.7","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H59 N10 O12.5 -","- C70 H58.9999 N10 O12.5 -","- C280 H235.999 N40 O50 -","4","2","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","0.71073","MoKα","","0.0732","0.0574","","","0.1387","0.148","","","","","","1.029","","","","has coordinates,has disorder","219582","2020-10-21","18:00:00",""
"4127325","7.6982","0.0007","9.3376","0.0008","15.6254","0.0014","90","","102.663","0.002","90","","1095.88","0.17","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H15 Au B Br2 F4 N2 O3 -","- C12 H15 Au B Br2 F4 N2 O3 -","- C24 H30 Au2 B2 Br4 F8 N4 O6 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","x-ray","0.71073","MoKα","","0.0564","0.0448","","","0.1135","0.1198","","","","","","1.05","","","","has coordinates","220553","2020-10-21","18:00:00",""
"4127326","8.7138","0.0008","9.4502","0.0009","10.8207","0.001","90","","111.987","0.002","90","","826.25","0.13","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Au Br2 N3 O4 -","- C12 H16 Au Br2 N3 O4 -","- C24 H32 Au2 Br4 N6 O8 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","x-ray","0.71073","MoKα","","0.0304","0.0246","","","0.045","0.0465","","","","","","0.886","","","","has coordinates","220554","2020-10-21","18:00:00",""
"4127327","8.6725","0.0016","9.1766","0.0016","10.855","0.0018","90","","112.84","0.004","90","","796.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Au Cl2 N3 O4 -","- C12 H16 Au Cl2 N3 O4 -","- C24 H32 Au2 Cl4 N6 O8 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.0293","0.0274","","","0.0654","0.0661","","","","","","1.051","","","","has coordinates","220555","2020-10-21","18:00:00",""
"4127377","8.0473","0.0007","5.7982","0.0007","15.2584","0.0016","90","","104.905","0.008","90","","688","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 -","- C17 H15 F3 -","- C34 H30 F6 -","2","1","","Trost, Barry M.; Gholami, Hadi; Zell, Daniel","Palladium-Catalyzed Asymmetric Allylic Fluoroalkylation/Trifluoromethylation.","Journal of the American Chemical Society","2019","141","29","11446","11451","10.1021/jacs.9b06231","","","1.54178","CuKα","","0.0381","0.0348","","","0.0831","0.0846","","","","","","1.061","","","","has coordinates,has disorder","220655","2020-10-21","18:00:00",""
"4127378","6.699","0.001","9.902","0.0013","12.655","0.008","90","","105.339","0.01","90","","809.5","0.5","296.1","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C22 H26 N10 Ni2 O2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of d-Elements in a Proton-Electron Coupling of d-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0633","","","","0.1311","","","","","","1.086","","","","has coordinates","220656","2020-10-21","18:00:00",""
"4127387","9.098","0.006","10.652","0.003","13.365","0.006","90","","103.019","0.019","90","","1261.9","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H41 N O4 S -","- C28 H41 N O4 S -","- C56 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0503","0.0474","","","0.1189","0.1216","","","","","","1.044","","","","has coordinates","220665","2020-10-21","18:00:00",""
"4127396","12.3076","0.0004","11.2515","0.0004","14.7336","0.0005","90","","99.185","0.001","90","","2014.13","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H44 B2 Co F8 N5 O2 P -","- C36 H44 B2 Co F8 N5 O2 P -","- C72 H88 B4 Co2 F16 N10 O4 P2 -","2","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0555","0.0539","","","0.1573","0.1589","","","","","","1.027","","","","has coordinates","220672","2020-10-21","18:00:00",""
"4127402","13.492","0.005","6.731","0.002","16.668","0.006","90","","113.874","0.003","90","","1384.2","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Gandelman332b (Andreii)","","","- C23 H27 F3 O10 S -","- C23 H27 F3 O10 S -","- C46 H54 F6 O20 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF3 Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0753","0.041","","","0.0756","0.0848","","","","","","0.848","","","","has coordinates","220679","2020-10-21","18:00:00",""
"4127403","10.2316","0.0009","6.1453","0.0005","16.0261","0.0014","90","","92.615","0.002","90","","1006.61","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Gandelman335b (Andreii)","","","- C24 H21 F3 S -","- C24 H21 F3 S -","- C48 H42 F6 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF3 Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0375","0.0341","","","0.0793","0.0806","","","","","","1.003","","","","has coordinates","220680","2020-10-21","18:00:00",""
"4127412","10.3691","0.0005","17.1035","0.0008","11.0229","0.0005","90","","97.966","0.002","90","","1936.02","0.16","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.87 H53.87 Cl2.62 N O4 -","- C39.874 H53.874 Cl2.622 N O4 -","- C79.748 H107.748 Cl5.244 N2 O8 -","2","1","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-epi-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0437","0.042","","","0.1177","0.1193","","","","","","1.04","","","","has coordinates,has disorder","220689","2020-10-21","18:00:00",""
"4127455","9.417","0.0003","10.9955","0.0004","15.6189","0.0006","90","","102.744","0.001","90","","1577.41","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H30 N4 O2 S -","- C40 H30 N4 O2 S -","- C80 H60 N8 O4 S2 -","2","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.045","0.0358","","","0.0857","0.0925","","","","","","1.021","","","","has coordinates","220728","2020-10-21","18:00:00",""
"4127470","9.33848","0.00014","7.41455","0.00012","9.7064","0.00015","90","","91.6489","0.0014","90","","671.799","0.018","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(S)-11a-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H- dibenzo[a,d][7]annulen-5-one","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0246","0.0244","","","0.0643","0.0644","","","","","","1.022","","","","has coordinates","220739","2020-10-21","18:00:00",""
"4127471","5.36038","0.0001","7.31242","0.0001","12.53807","0.00018","90","","90.2082","0.0015","90","","491.456","0.013","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(R,Z)-7-methylcyclodec-2-ene-1,6-dione","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0312","0.0307","","","0.0796","0.0801","","","","","","1.056","","","","has coordinates","220740","2020-10-21","18:00:00",""
"4127477","13.9751","0.0002","18.1064","0.0003","22.0854","0.0005","90","","93.337","0.002","90","","5578.99","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H166 K2 O26 Si6 U2 -","- C73 H166 K2 O26 Si6 U2 -","- C146 H332 K4 O52 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO2 and CO/H2 Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0477","0.0454","","","0.1192","0.1221","","","","","","1.042","","","","has coordinates,has disorder","220746","2020-10-21","18:00:00",""
"4127485","5.1733","0.0007","21.213","0.003","17.838","0.002","90","","97.186","0.003","90","","1942.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","2","","Cao, Min; Yesilcimen, Ahmet; Wasa, Masayuki","Enantioselective Conia-Ene-Type Cyclizations of Alkynyl Ketones through Cooperative Action of B(C6F5)3, N-Alkylamine and a Zn-Based Catalyst.","Journal of the American Chemical Society","2019","141","10","4199","4203","10.1021/jacs.8b13757","","","1.54178","CuKα","","0.0221","0.022","","","0.0569","0.057","","","","","","1.08","","","","has coordinates","220754","2020-10-21","18:00:00",""
"4127488","7.622","0.0005","6.488","0.0003","9.5948","0.0007","90","","112.474","0.008","90","","438.44","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High Tc of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl3.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0457","0.044","","","0.1317","0.1344","","","","","","1.158","","","","has coordinates","220757","2020-10-21","18:00:00",""
"4127489","7.6244","0.0005","6.493","0.0003","9.591","0.0007","90","","112.397","0.008","90","","438.99","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High Tc of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl3.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0463","0.0388","","","0.1103","0.1166","","","","","","0.99","","","","has coordinates","220758","2020-10-21","18:00:00",""
"4127570","7.6256","0.0004","7.4766","0.0003","9.9777","0.0005","90","","108.663","0.002","90","","538.95","0.05","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C28 H24 O4 -","2","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0294","0.0269","","","0.0861","0.097","","","","","","1.294","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127576","7.3461","0.0002","8.2067","0.0003","23.9093","0.0008","90","","93.499","0.002","90","","1438.74","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H26 N4 O4 -","- C40 H26 N4 O4 -","- C80 H52 N8 O8 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.0321","0.029","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","220788","2020-10-21","18:00:00",""
"4127587","6.602","0.0002","21.2549","0.0006","11.3873","0.0003","90","","103.046","0.001","90","","1556.68","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br2 N O -","- C17 H15 Br2 N O -","- C68 H60 Br8 N4 O4 -","4","2","","Allen, Jamie R.; Bahamonde, Ana; Furukawa, Yukino; Sigman, Matthew S.","Enantioselective N-Alkylation of Indoles via an Intermolecular Aza-Wacker-Type Reaction.","Journal of the American Chemical Society","2019","141","22","8670","8674","10.1021/jacs.9b01476","","","0.71073","MoKα","","0.0422","0.0298","","","0.0615","0.0643","","","","","","1.039","","","","has coordinates,has disorder","220799","2020-10-21","18:00:00",""
"4127601","12.1084","0.0002","23.7535","0.0003","20.6189","0.0003","90","","105.161","0.002","90","","5723.94","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H86 Mg2 N6 -","- C61 H86 Mg2 N6 -","- C244 H344 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.049","0.0451","","","0.1169","0.1199","","","","","","1.04","","","","has coordinates","220813","2020-10-21","18:00:00",""
"4127620","15.2506","0.0017","12.5209","0.001","16.3061","0.0014","90","","105.075","0.01","90","","3006.5","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H69 F6 N7 O10 -","- C58 H69 F6 N7 O10 -","- C116 H138 F12 N14 O20 -","2","1","","Morimoto, Jumpei; Fukuda, Yasuhiro; Kuroda, Daisuke; Watanabe, Takumu; Yoshida, Fumihiko; Asada, Mizue; Nakamura, Toshikazu; Senoo, Akinobu; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","A Peptoid with Extended Shape in Water.","Journal of the American Chemical Society","2019","141","37","14612","14623","10.1021/jacs.9b04371","","","0.71073","MoKα","","0.2153","0.0961","","","0.1938","0.2476","","","","","","0.996","","","","has coordinates","220826","2020-10-21","18:00:00",""
"4127635","10.48643","0.00015","7.50634","0.00011","12.56284","0.00019","90","","91.0457","0.0013","90","","988.72","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N -","- C23 H24 Cl N -","- C46 H48 Cl2 N2 -","2","1","","Tran, Gaël; Shao, Wen; Mazet, Clément","Ni-Catalyzed Enantioselective Intermolecular Hydroamination of Branched 1,3-Dienes Using Primary Aliphatic Amines.","Journal of the American Chemical Society","2019","141","37","14814","14822","10.1021/jacs.9b07253","","x-ray","1.54184","CuKα","","0.0298","0.0278","","","0.0705","0.0718","","","","","","1.033","","","","has coordinates","220841","2020-10-21","18:00:00",""
"4127638","10.7278","0.0006","6.6803","0.0004","14.4312","0.0009","90","","107.039","0.003","90","","988.81","0.1","170","2","170.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl N2 O2 -","- C22 H21 Cl N2 O2 -","- C44 H42 Cl2 N4 O4 -","2","1","","Wang, Tian-Ci; Fan, Lian-Feng; Shen, Yang; Wang, Pu-Sheng; Gong, Liu-Zhu","Asymmetric Allylic C-H Alkylation of Allyl Ethers with 2-Acylimidazoles.","Journal of the American Chemical Society","2019","141","27","10616","10620","10.1021/jacs.9b05247","","","1.34139","GaKα","","0.0518","0.0478","","","0.1407","0.1465","","","","","","1.112","","","","has coordinates,has disorder","220844","2020-10-21","18:00:00",""
"4127649","10.6867","0.0004","6.8041","0.0003","28.1524","0.0011","90","","90.724","0.001","90","","2046.89","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 B Br N O3 -","- C20 H29 B Br N O3 -","- C80 H116 B4 Br4 N4 O12 -","4","2","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp3)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","1.54178","CuKα","","0.0413","0.0412","","","0.104","0.1041","","","","","","1.091","","","","has coordinates","220855","2020-10-21","18:00:00",""
"4127664","8.6148","0.0002","14.8424","0.0004","10.8526","0.0003","90","","95.383","0.001","90","","1381.54","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Deng, Lin; Fu, Yue; Lee, Siu Yin; Wang, Chengpeng; Liu, Peng; Dong, Guangbin","Kinetic Resolution via Rh-Catalyzed C-C Activation of Cyclobutanones at Room Temperature.","Journal of the American Chemical Society","2019","141","41","16260","16265","10.1021/jacs.9b09344","","","1.54178","CuKα","","0.0339","0.0319","","","0.0786","0.0798","","","","","","1.047","","","","has coordinates","220865","2020-10-21","18:00:00",""
"4127669","6.082","0.004","8.299","0.007","20.852","0.015","90","","97.49","0.02","90","","1043.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N4 O5 -","- C25 H20 N4 O5 -","- C50 H40 N8 O10 -","2","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","x-ray","0.71073","MoKα","","0.04","0.0346","","","0.0824","0.0842","","","","","","1.046","","","","has coordinates","220868","2020-10-21","18:00:00",""
"4127671","7.7036","0.0001","6.1633","0.0001","15.5653","0.0002","90","","90.67","0.001","90","","738.984","0.018","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3aR,9bS)-9-Methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0531","0.0527","","","0.1368","0.1375","","","","","","1.109","","","","has coordinates","220870","2020-10-21","18:00:00",""
"4127674","5.662","0.008","11.423","0.015","11.586","0.016","90","","101.932","0.019","90","","733.2","1.7","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C36 H30 Cl2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0505","","","","0.1213","","","","","","1.01","","","","has coordinates","220873","2020-10-21","18:00:00",""
"4127676","7.7957","0.0001","13.9632","0.0002","9.8653","0.0002","90","","106.276","0.002","90","","1030.83","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,9bS)-1-methyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.114","0.1159","","","","","","1.025","","","","has coordinates","220875","2020-10-21","18:00:00",""
"4127677","6.74007","0.00004","24.03214","0.00017","8.74986","0.00006","90","","91.2367","0.0006","90","","1416.96","0.016","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,3aS,9bR)-8-chloro-3-phenyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C72 H60 Cl4 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0272","0.0264","","","0.0694","0.0702","","","","","","1.036","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127678","8.342","0.003","8.299","0.003","10.721","0.004","90","","101.619","0.004","90","","727","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","0.0393","0.0386","","","0.0958","0.0963","","","","","","1","","","","has coordinates","220877","2020-10-21","18:00:00",""
"4127681","9.834","0.0002","5.8505","0.0001","12.9552","0.0002","90","","102.401","0.002","90","","727.97","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,9bR)-8-methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0409","0.0396","","","0.106","0.1082","","","","","","1.063","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127749","19.099","0.004","25.697","0.005","19.253","0.004","90","","91.374","0.003","90","","9446","3","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","U19","","","- C24 H16 K22.69 O151.5 P8 U18.61 -","- C24 H16 K22.692 O151.5 P8 U18.608 -","- C48 H32 K45.384 O303 P16 U37.216 -","2","1","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0875","0.0605","","","0.1438","0.159","","","","","","1.02","","","","has coordinates,has disorder","220920","2020-10-21","18:00:00",""
"4127755","6.2022","0.0002","12.0562","0.0005","11.3655","0.0004","90","","92.957","0.002","90","","848.72","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 B O4 -","- C16 H27 B O4 -","- C32 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.34139","GaKα","","0.0893","0.0811","","","0.2034","0.2113","","","","","","1.03","","","","has coordinates","220926","2020-10-21","18:00:00",""
"4127757","6.5292","0.0002","11.5538","0.0003","11.7344","0.0003","90","","101.71","0.001","90","","866.79","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 B O4 -","- C17 H27 B O4 -","- C34 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0321","0.0316","","","0.087","0.0876","","","","","","1.059","","","","has coordinates","220928","2020-10-21","18:00:00",""
"4127758","6.9327","0.0004","7.3133","0.0004","8.9299","0.0005","90","","95.124","0.002","90","","450.94","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0306","0.0305","","","0.0872","0.0874","","","","","","1.031","","","","has coordinates","220929","2020-10-21","18:00:00",""
"4127759","6.7144","0.0002","11.6764","0.0003","10.844","0.0003","90","","101.962","0.001","90","","831.71","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C32 H50 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0501","0.0479","","","0.1277","0.1312","","","","","","1.074","","","","has coordinates,has disorder","220930","2020-10-21","18:00:00",""
"4127772","7.6027","0.0004","9.8312","0.0004","9.8783","0.0004","90","","93.581","0.005","90","","736.9","0.06","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C16 H24 N8 O24 -","2","1","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.0725","0.0757","","","","","","1.053","","","","has coordinates","220943","2020-10-21","18:00:00",""
"4127784","10.8485","0.0003","8.5152","0.0003","15.5978","0.0006","90","","106.083","0.003","90","","1384.49","0.08","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Cl N2 O2.5 -","- C27 H34 Cl N2 O2.5 -","- C54 H68 Cl2 N4 O5 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0655","0.064","","","0.1693","0.1718","","","","","","1.037","","","","has coordinates,has disorder","220955","2020-10-21","18:00:00",""
"4127785","7.21026","0.00009","12.31353","0.00012","15.41477","0.00014","90","","96.9925","0.001","90","","1358.4","0.02","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N2 O2 -","- C33 H36 N2 O2 -","- C66 H72 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0326","0.0322","","","0.082","0.0825","","","","","","1.087","","","","has coordinates","220956","2020-10-21","18:00:00",""
"4127786","10.8605","0.0002","8.5051","0.0001","15.6375","0.0004","90","","106.459","0.002","90","","1385.24","0.05","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N2 O2 -","- C27 H35 Cl N2 O2 -","- C54 H70 Cl2 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0929","0.0892","","","0.2434","0.2514","","","","","","1.064","","","","has coordinates","220957","2020-10-21","18:00:00",""
"4127788","7.8351","0.0006","13.23","0.001","8.4949","0.0007","90","","92.544","0.004","90","","879.7","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O2 S -","- C19 H20 Br N O2 S -","- C38 H40 Br2 N2 O4 S2 -","2","1","","Ma, Xiaofeng; Hazelden, Ian R.; Langer, Thomas; Munday, Rachel H.; Bower, John F.","Enantioselective Aza-Heck Cyclizations of N-(Tosyloxy)carbamates: Synthesis of Pyrrolidines and Piperidines.","Journal of the American Chemical Society","2019","141","8","3356","3360","10.1021/jacs.8b12689","","","0.71073","MoKα","","0.0199","0.019","","","0.0458","0.0461","","","","","","1.046","","","","has coordinates","220959","2020-10-21","18:00:00",""
"4127796","10.8251","0.0004","28.5433","0.001","18.1586","0.0006","90","","91.12","0.002","90","","5609.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H78 Ge2 P2 -","- C65 H78 Ge2 P2 -","- C260 H312 Ge8 P8 -","4","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0895","0.0581","","","0.1002","0.1117","","","","","","1.067","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127803","8.82878","0.00014","8.60788","0.00012","13.17393","0.00018","90","","103.457","0.0015","90","","973.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C42 H68 O8 -","2","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.04","0.0383","","","0.1013","0.1033","","","","","","1.053","","","","has coordinates","220975","2020-10-21","18:00:00",""
"4127804","8.8017","0.0006","25.5888","0.0014","8.8696","0.0007","90","","112.309","0.009","90","","1848.1","0.2","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O3 -","- C20 H34 O3 -","- C80 H136 O12 -","4","2","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0864","0.073","","","0.1741","0.1854","","","","","","1.053","","","","has coordinates","220976","2020-10-21","18:00:00",""
"4127850","13.63616","0.00009","8.38855","0.00005","15.53968","0.0001","90","","107.817","0.0007","90","","1692.3","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O2 S -","- C19 H16 F N O2 S -","- C76 H64 F4 N4 O8 S4 -","4","2","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","","1.54184","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.046","","","","has coordinates","221021","2020-10-21","18:00:00",""
"4127900","14.5382","0.0005","8.2269","0.0002","14.7591","0.0004","90","","100.535","0.002","90","","1735.5","0.09","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C76 H68 Br2 N10 O12 S2 -","2","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0364","0.0349","","","0.089","0.09","","","","","","1.071","","","","has coordinates","221058","2020-10-21","18:00:00",""
"4127902","7.9247","0.0004","10.0883","0.0005","13.7799","0.0007","90","","99.202","0.001","90","","1087.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0245","0.0244","","","0.0668","0.0669","","","","","","1.02","","","","has coordinates","221060","2020-10-21","18:00:00",""
"4127903","11.9855","0.0013","7.8837","0.0009","16.321","0.0018","90","","90.079","0.002","90","","1542.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","2","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.033","0.0327","","","0.0828","0.087","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127904","8.1622","0.0004","7.4452","0.0003","18.6526","0.0008","90","","93.348","0.001","90","","1131.57","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C54 H50 N2 O8 S2 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0259","0.0254","","","0.0637","0.0641","","","","","","1.061","","","","has coordinates","221062","2020-10-21","18:00:00",""
"4127919","16.7418","0.0008","15.6598","0.0008","18.4127","0.0009","90","","90.376","0.002","90","","4827.2","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H102 K2.5 Na2.5 O92 P W12 -","- C38 H45 K2.5 Na2.5 O83 P W12 -","- C76 H90 K5 Na5 O166 P2 W24 -","2","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.0666","0.0633","","","0.2012","0.2052","","","","","","1.068","","","","has coordinates,has disorder","221077","2020-10-21","18:00:00",""
"4127920","11.4648","0.0011","7.4731","0.0007","11.5835","0.0011","90","","94.863","0.004","90","","988.87","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Br F3 N2 O6 -","- C19 H14 Br F3 N2 O6 -","- C38 H28 Br2 F6 N4 O12 -","2","1","","Schwartz, Leyah A.; Holmes, Michael; Brito, Gilmar A.; Gonçalves, Théo P; Richardson, Jeffery; Ruble, J. Craig; Huang, Kuo-Wei; Krische, Michael J.","Cyclometalated Iridium-PhanePhos Complexes Are Active Catalysts in Enantioselective Allene-Fluoral Reductive Coupling and Related Alcohol-Mediated Carbonyl Additions That Form Acyclic Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2019","141","5","2087","2096","10.1021/jacs.8b11868","","","0.71073","MoKα","","0.0324","0.0261","","","0.0524","0.0537","","","","","","0.998","","","","has coordinates","221078","2020-10-21","18:00:00",""
"4127925","9.175","0.0003","10.716","0.0003","11.0839","0.0004","90","","101.47","0.001","90","","1068","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","lm1XV374 - 18MCD012","","","- C24 H26 F3 N O2 S -","- C24 H26 F3 N O2 S -","- C48 H52 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0327","0.0305","","","0.0776","0.079","","","","","","1.048","","","","has coordinates","221083","2020-10-21","18:00:00",""
"4127926","9.9817","0.001","8.5549","0.0009","10.6135","0.001","90","","100.483","0.004","90","","891.19","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","18MCD016","","","- C18 H22 F3 N O2 S -","- C18 H22 F3 N O2 S -","- C36 H44 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0516","0.0395","","","0.085","0.0906","","","","","","1.056","","","","has coordinates","221084","2020-10-21","18:00:00",""
"4127950","9.923","0.0006","7.808","0.0005","18.1832","0.0011","90","","94.507","0.001","90","","1404.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0272","0.0253","","","0.0573","0.0583","","","","","","1.023","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127951","9.9215","0.0007","7.8098","0.0005","18.1864","0.0012","90","","94.507","0.001","90","","1404.81","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0271","0.0254","","","0.0576","0.0584","","","","","","1.034","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127961","5.5889","0.0005","7.8356","0.0007","22.0624","0.0017","90","","91.268","0.004","90","","965.93","0.14","287","2","287","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 O P -","- C23 H23 O P -","- C46 H46 O2 P2 -","2","1","","Liu, Xu-Teng; Zhang, Ya-Qian; Han, Xue-Yu; Sun, Shi-Ping; Zhang, Qing-Wei","Ni-Catalyzed Asymmetric Allylation of Secondary Phosphine Oxides.","Journal of the American Chemical Society","2019","141","42","16584","16589","10.1021/jacs.9b08734","","","1.54178","CuKα","","0.0844","0.0682","","","0.198","0.2292","","","","","","1.074","","","","has coordinates","221114","2020-10-21","18:00:00",""
"4128044","9.7265","0.0006","10.2667","0.0006","9.8174","0.0006","90","","102.588","0.002","90","","956.79","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 I N3 O5 S -","- C17 H20 I N3 O5 S -","- C34 H40 I2 N6 O10 S2 -","2","1","","Trost, Barry M.; Xu, Shiyan; Sharif, Ehesan U.","New Catalytic Asymmetric Formation of Oxygen Heterocycles Bearing Nucleoside Bases at the Anomeric Carbon.","Journal of the American Chemical Society","2019","141","26","10199","10204","10.1021/jacs.9b06050","","","0.71073","MoKα","","0.023","0.0219","","","0.0527","0.0534","","","","","","1.035","","","","has coordinates","221177","2020-10-21","18:00:00",""
"4128053","18.0758","0.0008","13.725","0.0006","20.4222","0.0009","90","","90.014","0.003","90","","5066.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H67 F6 K N3 Ni O8 -","- C45 H67 F6 K N3 Ni O8 -","- C180 H268 F24 K4 N12 Ni4 O32 -","4","2","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N2O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0709","0.0481","","","0.1006","0.1088","","","","","","1.017","","","","has coordinates,has disorder","221184","2020-10-21","18:00:00",""
"4128057","5.6684","0.0002","15.2524","0.0003","10.6654","0.0003","90","","92.016","0.003","90","","921.52","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O2 S -","- C22 H22 O2 S -","- C44 H44 O4 S2 -","2","1","","Yan, Qiaozhi; Xiao, Guiying; Wang, Ying; Zi, Guofu; Zhang, Zhanbin; Hou, Guohua","Highly Efficient Enantioselective Synthesis of Chiral Sulfones by Rh-Catalyzed Asymmetric Hydrogenation.","Journal of the American Chemical Society","2019","141","4","1749","1756","10.1021/jacs.8b12657","","x-ray","1.54184","CuKα","","0.0372","0.0346","","","0.0849","0.0868","","","","","","1.037","","","","has coordinates","221188","2020-10-21","18:00:00",""
"4128081","9.6616","0.0001","11.6145","0.0001","11.4666","0.0001","90","","96.814","0.001","90","","1277.63","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0274","0.0273","","","0.0712","0.0714","","","","","","1.033","","","","has coordinates","221212","2020-10-21","18:00:00",""
"4128150","10.91514","0.00018","12.1031","0.0002","32.0994","0.0006","90","","95.1628","0.0016","90","","4223.35","0.13","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0393","0.0378","","","0.0993","0.1013","","","","","","1.036","","","","has coordinates","221276","2020-10-21","18:00:00",""
"4128152","10.5503","0.0004","9.1488","0.0004","12.4459","0.0005","90","","98.766","0.003","90","","1187.28","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C44 H66 N2 O12 S2 -","2","1","","Tan, Dan; Jamieson, Cooper S.; Ohashi, Masao; Tang, Man-Cheng; Houk, K. N.; Tang, Yi","Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B.","Journal of the American Chemical Society","2019","141","2","769","773","10.1021/jacs.8b12010","","","1.54178","CuKα","","0.0418","0.0346","","","0.078","0.081","","","","","","1.046","","","","has coordinates","221278","2020-10-21","18:00:00",""
"4128162","11.9205","0.0007","6.7662","0.0004","23.36","0.0014","90","","92.608","0.002","90","","1882.18","0.19","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0568","0.048","","","0.1211","0.1299","","","","","","1.022","","","","has coordinates","221296","2020-10-21","18:00:00",""
"4128194","17.4001","0.0003","35.5243","0.0005","30.561","0.0006","90","","98.414","0.002","90","","18687.2","0.6","99.99","0.16","99.99","0.16","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1502","0.1441","","","0.3511","0.3562","","","","","","1.038","","","","has coordinates","221332","2020-10-21","18:00:00",""
"4128195","17.3706","0.0002","35.3798","0.0004","30.3366","0.0004","90","","98.232","0.001","90","","18451.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1018","0.0976","","","0.2581","0.2636","","","","","","1.038","","","","has coordinates","221333","2020-10-21","18:00:00",""
"4128214","12.8963","0.0005","19.5146","0.0008","13.2343","0.0005","90","","96.898","0.001","90","","3306.5","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H54 B Cl F24 Ir P -","- C66 H54 B Cl F24 Ir P -","- C132 H108 B2 Cl2 F48 Ir2 P2 -","2","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η5-C5Me5)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C5Me5.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0227","0.0217","","","0.0565","0.0572","","","","","","1.046","","","","has coordinates,has disorder","221344","2020-10-21","18:00:00",""
"4128216","10.558","0.004","7.3823","0.001","22.505","0.004","90","","100.12","0.02","90","","1726.8","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H49 N5 O8 Si2 -","- C27 H49 N5 O8 Si2 -","- C54 H98 N10 O16 Si4 -","2","1","","Ushimaru, Richiro; Liu, Hung-Wen","Biosynthetic Origin of the Atypical Stereochemistry in the Thioheptose Core of Albomycin Nucleoside Antibiotics.","Journal of the American Chemical Society","2019","141","6","2211","2214","10.1021/jacs.8b12565","","","1.54184","CuKα","","0.1626","0.1036","","","0.2184","0.2609","","","","","","1.01","","","","has coordinates","221346","2020-10-21","18:00:00",""
"4128226","7.1091","0.0003","11.7371","0.0004","9.2881","0.0003","90","","110.232","0.001","90","","727.18","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0386","0.0349","","","0.086","0.0882","","","","","","1.097","","","","has coordinates","221355","2020-10-21","18:00:00",""
"4128229","6.9349","0.0003","7.4039","0.0003","13.677","0.0005","90","","91.735","0.002","90","","701.93","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0348","0.031","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","221358","2020-10-21","18:00:00",""
"4128276","8.7849","0.0011","5.4108","0.0008","14.8752","0.0019","90","","98.627","0.007","90","","699.07","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F5 N O -","- C14 H16 F5 N O -","- C28 H32 F10 N2 O2 -","2","1","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0276","","","0.0694","0.0696","","","","","","1.046","","","","has coordinates","221398","2020-10-21","18:00:00",""
"4128277","8.3312","0.0011","17.574","0.002","8.379","0.0011","90","","116.975","0.005","90","","1093.3","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N -","- C12 H14 F3 N -","- C48 H56 F12 N4 -","4","2","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0279","","","0.0705","0.0705","","","","","","1.045","","","","has coordinates","221399","2020-10-21","18:00:00",""
"4128284","9.6679","0.0004","18.7513","0.0007","13.8244","0.0005","90","","102.399","0.002","90","","2447.71","0.16","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H43 N S -","- C27 H43 N S -","- C108 H172 N4 S4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0371","0.035","","","0.0859","0.0871","","","","","","1.041","","","","has coordinates,has disorder","221406","2020-10-21","18:00:00",""
"4128287","10.6372","0.0007","16.6939","0.0012","16.7043","0.0013","90","","91.822","0.003","90","","2964.8","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O -","- C34 H48 N2 O -","- C136 H192 N8 O4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0925","0.0605","","","0.1236","0.1369","","","","","","1.041","","","","has coordinates,has disorder","221409","2020-10-21","18:00:00",""
"4128302","13.2836","0.0019","9.513","0.0013","17.387","0.003","90","","90.057","0.004","90","","2197.1","0.6","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30.75 N2 O8.38 -","- C22 H30.75 N2 O8.375 -","- C88 H123 N8 O33.5 -","4","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp3)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","x-ray","1.54178","CuKα","","0.0272","0.0272","","","0.0724","0.0724","","","","","","1.044","","","","has coordinates","221425","2020-10-21","18:00:00",""
"4128306","5.5476","0.0003","8.4528","0.0005","21.0022","0.0013","90","","97.001","0.004","90","","977.51","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C46 H42 N2 O6 S2 -","2","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0689","0.0428","","","0.0802","0.0902","","","","","","1.025","","","","has coordinates","221429","2020-10-21","18:00:00",""
"4128310","11.9238","0.0005","13.673","0.0007","12.7983","0.0006","90","","112.838","0.003","90","","1922.99","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 B N2 O2 -","- C21 H25 B N2 O2 -","- C84 H100 B4 N8 O8 -","4","2","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.0592","0.0443","","","0.0805","0.0845","","","","","","1.377","","","","has coordinates","221433","2020-10-21","18:00:00",""
"4128312","9.1839","0.0004","10.4178","0.0005","19.8431","0.0008","90","","99.184","0.001","90","","1874.17","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","2","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0721","0.0602","","","0.1442","0.1538","","","","","","1.055","","","","has coordinates","221435","2020-10-21","18:00:00",""
"4128342","8.0561","0.0006","6.0406","0.0004","14.5291","0.001","90","","98.325","0.002","90","","699.59","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0674","0.0673","","","0.1728","0.1729","","","","","","1.109","","","","has coordinates","221465","2020-10-21","18:00:00",""
"4128397","9.1246","0.0002","6.02431","0.00018","23.2712","0.0005","90","","100.952","0.002","90","","1255.91","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0381","0.0351","","","0.0925","0.0955","","","","","","1.045","","","","has coordinates","221518","2020-10-21","18:00:00",""
"4128398","7.8959","0.00014","18.3744","0.0003","10.6262","0.0002","90","","104.823","0.002","90","","1490.37","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Co I2 O3 -","- C33 H29 Co I2 O3 -","- C66 H58 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0459","0.0337","","","0.0616","0.0676","","","","","","1.049","","","","has coordinates","221519","2020-10-21","18:00:00",""
"4128399","7.74793","0.00011","12.5796","0.0002","18.6446","0.0003","90","","99.7262","0.0016","90","","1791.09","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 Co I2 O3 -","- C40 H37 Co I2 O3 -","- C80 H74 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0407","0.0331","","","0.0659","0.0698","","","","","","1.03","","","","has coordinates,has disorder","221520","2020-10-21","18:00:00",""
"4128400","14.8651","0.0005","7.3449","0.0003","15.0607","0.0006","90","","98.255","0.004","90","","1627.33","0.11","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 Co I2 O3 -","- C30 H23 Co I2 O3 -","- C60 H46 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0415","0.0314","","","0.0557","0.0602","","","","","","0.984","","","","has coordinates","221522","2020-10-21","18:00:00",""
"4128401","10.8622","0.0002","5.17605","0.00011","19.432","0.0004","90","","101.425","0.0019","90","","1070.88","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0412","0.0372","","","0.0933","0.097","","","","","","1.013","","","","has coordinates","221523","2020-10-21","18:00:00",""
"4128424","14.3173","0.0013","12.8231","0.0008","20.9241","0.0018","90","","102.873","0.007","90","","3744.9","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 B2 Li2 O9 -","- C36 H58 B2 Li2 O9 -","- C144 H232 B8 Li8 O36 -","4","2","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1072","0.0678","","","0.1387","0.1541","","","","","","0.95","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128427","9.3155","0.0007","8.4154","0.0006","9.8563","0.0007","90","","112.865","0.002","90","","711.96","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Zhang, Wu-Bin; Yang, Xin-Tuo; Ma, Jun-Bao; Su, Zhi-Ming; Shi, Shi-Liang","Regio- and Enantioselective C-H Cyclization of Pyridines with Alkenes Enabled by a Nickel/N-Heterocyclic Carbene Catalysis.","Journal of the American Chemical Society","2019","141","14","5628","5634","10.1021/jacs.9b00931","","","1.54178","CuKα","","0.031","0.0301","","","0.077","0.0779","","","","","","1.026","","","","has coordinates","221536","2020-10-21","18:00:00",""
"4128436","9.855","0.003","13.243","0.003","13.89","0.005","90","","101.25","0.02","90","","1777.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H51 N O8 -","- C41 H51 N O8 -","- C82 H102 N2 O16 -","2","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","x-ray","0.71073","MoKα","","0.0601","0.0567","","","0.1443","0.1471","","","","","","1.086","","","","has coordinates","221540","2020-10-21","18:00:00",""
"4128455","10.912","0.0005","9.4971","0.0005","11.5555","0.0006","90","","99.171","0.002","90","","1182.22","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl3 O4 -","- C23 H31 Cl3 O4 -","- C46 H62 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0291","0.0289","","","0.0763","0.0764","","","","","","1.037","","","","has coordinates","221559","2020-10-21","18:00:00",""
"4128465","7.37217","0.00006","9.20606","0.00007","10.02549","0.00008","90","","93.8045","0.0007","90","","678.917","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0261","0.0261","","","0.0685","0.0685","","","","","","1.076","","","","has coordinates","221569","2020-10-21","18:00:00",""
"4128466","6.2397","0.0004","11.9278","0.0007","9.1162","0.0005","90","","103.411","0.003","90","","659.98","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","KH_3_087_1","maimone58","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0268","0.0264","","","0.072","0.0724","","","","","","1.065","","","","has coordinates","221570","2020-10-21","18:00:00",""
"4128467","8.0619","0.0008","9.8882","0.001","9.804","0.001","90","","113.579","0.004","90","","716.3","0.13","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.024","0.0237","","","0.063","0.0633","","","","","","1.1151","","","","has coordinates","221571","2020-10-21","18:00:00",""
"4128470","12.8174","0.0005","13.7159","0.0005","16.1653","0.0006","90","","103.093","0.002","90","","2768.02","0.18","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C120 H176 O32 -","8","4","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0566","0.0468","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates","221574","2020-10-21","18:00:00",""
"4128472","8.7529","0.0002","6.3723","0.0001","11.9743","0.0002","90","","90.872","0.002","90","","667.8","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0335","0.032","","","0.0816","0.0826","","","","","","1.091","","","","has coordinates","221576","2020-10-21","18:00:00",""
"4128473","8.3883","0.0001","11.5548","0.0001","13.553","0.0001","90","","96.319","0.001","90","","1305.65","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0745","0.0745","","","","","","1.055","","","","has coordinates","221577","2020-10-21","18:00:00",""
"4128478","8.4177","0.0006","17.2187","0.0017","9.4319","0.0007","90","","108.594","0.006","90","","1295.72","0.19","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 O6 P3 -","- C27 H33 O6 P3 -","- C54 H66 O12 P6 -","2","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a PV-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0727","0.0464","","","0.0816","0.0902","","","","","","1.007","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128504","8.4671","0.0002","11.6731","0.0003","16.0818","0.0004","90","","100.441","0.002","90","","1563.16","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 F N -","- C19 H22 F N -","- C76 H88 F4 N4 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0386","0.0344","","0.0853","0.0803","0.0853","","","","","","0.9985","","","","has coordinates","221589","2020-10-21","18:00:00",""
"4128505","13.4967","0.0007","18.0291","0.0007","15.8187","0.0006","90","","107.072","0.005","90","","3679.6","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0891","0.0713","","0.2031","0.1709","0.2031","","","","","","1.0105","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128506","8.8499","0.0006","17.9444","0.0008","12.0116","0.0007","90","","99.75","0.007","90","","1879.96","0.19","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C76 H108 Cl4 F4 N4 O8 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1485","0.0667","","0.2098","0.1461","0.158","","","","","","1.0004","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128507","13.4572","0.001","17.9878","0.0008","15.8501","0.0009","90","","107.078","0.007","90","","3667.6","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1438","0.0896","","0.2302","0.1814","0.2302","","","","","","1.0244","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128518","7.2283","0.0002","11.3241","0.0003","10.6872","0.0003","90","","92.941","0.001","90","","873.64","0.04","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0436","0.039","","","0.1074","0.1123","","","","","","1.1397","","","","has coordinates","221600","2020-10-21","18:00:00",""
"4128522","13.857","0.003","10.761","0.003","27.29","0.006","90","","98.089","0.008","90","","4028.9","1.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H52 Au Cl F3 N P -","- C43 H52 Au Cl F3 N P -","- C172 H208 Au4 Cl4 F12 N4 P4 -","4","2","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.0718","0.0542","","","0.0861","0.0913","","","","","","1.054","","","","has coordinates","221604","2020-10-21","18:00:00",""
"4128523","12.81","0.009","10.578","0.006","14.298","0.01","90","","99.99","0.02","90","","1908","2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 Au Cl F3 N P -","- C43 H55 Au Cl F3 N P -","- C86 H110 Au2 Cl2 F6 N2 P2 -","2","1","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.1175","0.0667","","","0.1249","0.1506","","","","","","1.038","","","","has coordinates","221605","2020-10-21","18:00:00",""
"4128542","8.2394","0.0004","28.4962","0.0012","12.2667","0.0005","90","","90.028","0.006","90","","2880.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H22 O6 -","- C42 H22 O6 -","- C168 H88 O24 -","4","2","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral peri-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","1.54187","CuKα","","0.041","0.0348","","","0.0785","0.0817","","","","","","1.011","","","","has coordinates","221623","2020-10-21","18:00:00",""
"4128560","8.38505","0.00012","36.0429","0.0005","8.62496","0.00013","90","","98.4463","0.0012","90","","2578.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N24 O18 -","- C40.001 H68.004 N24 O18.001 -","- C80.002 H136.008 N48 O36.002 -","2","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0459","0.0431","","","0.1165","0.1193","","","","","","1.025","","","","has coordinates,has disorder","221640","2020-10-21","18:00:00",""
"4128562","9.3985","0.00009","35.4184","0.0004","11.55526","0.00011","90","","90.1733","0.0009","90","","3846.5","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H38 Au Cl F12 N P -","- C40 H38 Au Cl F12 N P -","- C160 H152 Au4 Cl4 F48 N4 P4 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote C2-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0508","0.0496","","","0.142","0.1424","","","","","","1.464","","","","has coordinates","221642","2020-10-21","18:00:00",""
"4128563","13.4203","0.0006","18.534","0.0007","24.6963","0.001","90","","103.767","0.0013","90","","5966.3","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C229 H188 Au4 B2 Cl2 F96 N4 P4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote C2-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0482","0.0357","","","0.0734","0.0784","","","","","","1.008","","","","has coordinates,has disorder","221643","2020-10-21","18:00:00",""
"4128565","11.051","0.0002","5.95087","0.00013","13.0137","0.0004","90","","96.926","0.002","90","","849.58","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote C2-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0517","0.0395","","","0.0936","0.0992","","","","","","0.979","","","","has coordinates","221645","2020-10-21","18:00:00",""
"4128569","10.9819","0.0005","8.2059","0.0004","12.0674","0.0005","90","","102.146","0.001","90","","1063.13","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C54 H60 O4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote C2-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","1.54178","CuKα","","0.0286","0.0285","","","0.0741","0.0743","","","","","","1.048","","","","has coordinates","221649","2020-10-21","18:00:00",""
"4128594","8.1884","0.0006","8.7282","0.0006","11.6015","0.0008","90","","97.533","0.003","90","","822","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C32 H36 Cl2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0368","0.0324","","","0.0821","0.0854","","","","","","1.033","","","","has coordinates","221674","2020-10-21","18:00:00",""
"4128595","10.802","0.0006","13.4468","0.0008","12.4893","0.0008","90","","111.444","0.003","90","","1688.52","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0563","0.0548","","","0.1364","0.1375","","","","","","1.047","","","","has coordinates","221675","2020-10-21","18:00:00",""
"4128601","7.8665","0.0005","20.7338","0.0014","10.0786","0.0006","90","","90.438","0.005","90","","1643.8","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0754","0.0479","","","0.1012","0.1111","","","","","","1.033","","","","has coordinates","221682","2020-10-21","18:00:00",""
"4128602","10.2919","0.0006","5.9783","0.0003","11.3506","0.0006","90","","98.101","0.004","90","","691.41","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C28 H34 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0277","0.0261","","","0.0657","0.0666","","","","","","1.042","","","","has coordinates","221683","2020-10-21","18:00:00",""
"4128603","12.9997","0.0008","7.5607","0.0005","17.0068","0.0011","90","","111.408","0.002","90","","1556.22","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0287","0.0281","","","0.0742","0.0747","","","","","","1.029","","","","has coordinates","221684","2020-10-21","18:00:00",""
"4128604","8.0024","0.0004","8.9423","0.0004","11.7925","0.0006","90","","99.172","0.002","90","","833.08","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C32 H36 Br2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0319","0.0238","","","0.052","0.0538","","","","","","1.024","","","","has coordinates","221685","2020-10-21","18:00:00",""
"4128609","8.3697","0.0004","8.4872","0.0005","10.8138","0.0006","90","","93.883","0.002","90","","766.4","0.07","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0258","0.0253","","","0.0675","0.0681","","","","","","1.004","","","","has coordinates","221690","2020-10-21","18:00:00",""
"4128621","10.7125","0.0001","7.9053","0.0001","15.482","0.0001","90","","98.775","0.001","90","","1295.75","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0334","0.032","","","0.0847","0.0858","","","","","","1.076","","","","has coordinates","221702","2020-10-21","18:00:00",""
"4128624","5.55961","0.00005","8.2257","0.00005","13.5491","0.00008","90","","91.2759","0.0007","90","","619.47","0.008","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C30 H28 N8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0711","0.0717","","","","","","1.052","","","","has coordinates","221705","2020-10-21","18:00:00",""
"4128625","7.8468","0.0014","8.0192","0.0014","13.739","0.002","90","","95.361","0.004","90","","860.7","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N2 O4 -","- C18 H17 Cl N2 O4 -","- C36 H34 Cl2 N4 O8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","0.71073","MoKα","","0.064","0.0388","","","0.0739","0.0816","","","","","","0.959","","","","has coordinates,has disorder","221706","2020-10-21","18:00:00",""
"4128666","13.2294","0.0001","7.4619","0.0001","14.9668","0.0001","90","","110.554","0.001","90","","1383.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","2","","Lu, Fu-Dong; Liu, Dan; Zhu, Lei; Lu, Liang-Qiu; Yang, Qian; Zhou, Quan-Quan; Wei, Yi; Lan, Yu; Xiao, Wen-Jing","Asymmetric Propargylic Radical Cyanation Enabled by Dual Organophotoredox and Copper Catalysis.","Journal of the American Chemical Society","2019","141","15","6167","6172","10.1021/jacs.9b02338","","x-ray","1.54184","CuKα","","0.0344","0.0341","","","0.0918","0.0921","","","","","","1.042","","","","has coordinates","221747","2020-10-21","18:00:00",""
"4128674","6.1799","0.0009","8.3702","0.0013","9.1069","0.0014","90","","106.537","0.002","90","","451.59","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C20 H24 N4 O2 -","2","1","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0382","0.0381","","","0.0983","0.0984","","","","","","1.262","","","","has coordinates","221755","2020-10-21","18:00:00",""
"4128686","6.2029","0.0001","8.504","0.0001","16.5123","0.0002","90","","97.283","0.001","90","","863.99","0.02","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F N O2 S -","- C20 H18 F N O2 S -","- C40 H36 F2 N2 O4 S2 -","2","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp2-sp3 Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0561","0.055","","","0.1561","0.158","","","","","","1.062","","","","has coordinates,has disorder","221767","2020-10-21","18:00:00",""
"4128693","11.2307","0.0005","18.6067","0.0009","15.1051","0.0007","90","","99.152","0.003","90","","3116.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 B2 Cl2 N2 -","- C35 H40 B2 Cl2 N2 -","- C140 H160 B8 Cl8 N8 -","4","2","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0782","0.0686","","","0.1945","0.2023","","","","","","1.04","","","","has coordinates","221774","2020-10-21","18:00:00",""
"4128700","11.3756","0.0017","39.096","0.006","11.5017","0.0018","90","","96.094","0.004","90","","5086.4","1.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105 H126 Cl2 Co2 O4.5 P6 -","- C105 H126 Cl2 Co2 O4.5 P6 -","- C210 H252 Cl4 Co4 O9 P12 -","2","1","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0765","0.0727","","","0.1856","0.1878","","","","","","1.108","","","","has coordinates","221777","2020-10-21","18:00:00",""
"4128707","9.892","0.002","19.639","0.004","10.615","0.002","90","","106.64","0.03","90","","1975.8","0.7","128.15","","128.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H50 N6 O7 -","- C41 H50 N6 O7 -","- C82 H100 N12 O14 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp3 C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","","0.71073","MoKα","","0.0619","0.043","","","0.0807","0.09","","","","","","0.952","","","","has coordinates","221782","2020-10-21","18:00:00",""
"4128709","11.2412","0.0001","10.5448","0.0001","17.0505","0.0001","90","","107.124","0.001","90","","1931.51","0.03","294","2","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H50 N6 O6 -","- C39 H50 N6 O6 -","- C78 H100 N12 O12 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp3 C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0331","0.0322","","","0.0929","0.0939","","","","","","1.039","","","","has coordinates","221784","2020-10-21","18:00:00",""
"4128744","5.5115","0.0001","9.7152","0.0002","8.7681","0.0002","90","","96.864","0.002","90","","466.126","0.017","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O2 -","- C11 H9 Cl O2 -","- C22 H18 Cl2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0312","0.031","","","0.0804","0.0806","","","","","","1.106","","","","has coordinates","221814","2020-10-21","18:00:00",""
"4128745","5.6119","0.0001","9.6719","0.0002","8.9813","0.0002","90","","97.545","0.002","90","","483.264","0.017","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0412","0.0405","","","0.1097","0.1105","","","","","","1.126","","","","has coordinates","221815","2020-10-21","18:00:00",""
"4128746","5.5659","0.0001","9.7305","0.0002","7.6693","0.0001","90","","92.853","0.001","90","","414.847","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.069","0.0691","","","","","","1.081","","","","has coordinates","221816","2020-10-21","18:00:00",""
"4128751","5.7307","0.0007","8.2795","0.0011","24.749","0.003","90","","91.3419","0.0017","90","","1174","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl I O2 -","- C9 H16 Cl I O2 -","- C36 H64 Cl4 I4 O8 -","4","2","","Michalak, Sharon E.; Nam, Sangkil; Kwon, David M.; Horne, David A.; Vanderwal, Christopher D.","A Chlorine-Atom-Controlled Terminal-Epoxide-Initiated Bicyclization Cascade Enables a Synthesis of the Potent Cytotoxins Haterumaimides J and K.","Journal of the American Chemical Society","2019","141","23","9202","9206","10.1021/jacs.9b04702","","","0.71073","MoKα","","0.03","0.0282","","","0.0732","0.0741","","","","","","1.214","","","","has coordinates","221821","2020-10-21","18:00:00",""
"4128757","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","221827","2020-10-21","18:00:00",""
"4128760","7.6865","0.0003","29.0486","0.0011","8.7393","0.0004","90","","111.856","0.001","90","","1811.07","0.13","298","2","297.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 O13 S2 -","- C27 H33 N4 O13 S2 -","- C54 H66 N8 O26 S4 -","2","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","0.71073","MoKα","","0.1236","0.1164","","","0.3172","0.3235","","","","","","2.6665","","","","has coordinates","221830","2020-10-21","18:00:00",""
"4128770","16.3158","0.0005","12.7484","0.0004","18.5646","0.0006","90","","91.285","0.001","90","","3860.5","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H118 K2 N2 O10 P4 Ru2 -","- C66 H118 K2 N2 O10 P4 Ru2 -","- C132 H236 K4 N4 O20 P8 Ru4 -","2","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO2 Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0577","0.0483","","","0.1217","0.1275","","","","","","1.044","","","","has coordinates,has disorder","221834","2020-10-21","18:00:00",""
"4128791","13.949","0.003","9.712","0.002","19.552","0.005","90","","110.621","0.004","90","","2479.1","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O4.25 S Si -","- C21 H33 N3 O4.25 S Si -","- C84 H132 N12 O17 S4 Si4 -","4","2","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","0.71073","MoKα","","0.0844","0.0503","","","0.1051","0.1208","","","","","","1.05","","","","has coordinates,has disorder","221855","2020-10-21","18:00:00",""
"4128792","7.9317","0.0005","15.4939","0.0011","13.8939","0.0011","90","","92.123","0.004","90","","1706.3","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H48 N4 O5 S Si -","- C34 H48 N4 O5 S Si -","- C68 H96 N8 O10 S2 Si2 -","2","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0794","0.0665","","","0.1736","0.1861","","","","","","1.067","","","","has coordinates,has disorder","221856","2020-10-21","18:00:00",""
"4128795","10.6544","0.0001","15.3909","0.0002","10.7835","0.0001","90","","96.457","0.001","90","","1757.07","0.03","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H47 N3 O9 -","- C39 H47 N3 O9 -","- C78 H94 N6 O18 -","2","1","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0243","0.0243","","","0.0642","0.0643","","","","","","1.029","","","","has coordinates,has disorder","221859","2020-10-21","18:00:00",""
"4128808","8.3815","0.0002","22.425","0.0002","8.6781","0.0002","90","","117.675","0.002","90","","1444.49","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0378","0.0372","","","0.1006","0.1026","","","","","","1.02","","","","has coordinates","221873","2020-10-21","18:00:00",""
"4128890","10.1878","0.0016","7.9625","0.0015","19.59","0.003","90","","99.557","0.007","90","","1567.1","0.5","149","2","149","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Glachet, Thomas; Marzag, Hamid; Saraiva Rosa, Nathalie; Colell, Johannes F. P.; Zhang, Guannan; Warren, Warren S.; Franck, Xavier; Theis, Thomas; Reboul, Vincent","Iodonitrene in Action: Direct Transformation of Amino Acids into Terminal Diazirines and 15N2-Diazirines and Their Application as Hyperpolarized Markers.","Journal of the American Chemical Society","2019","141","34","13689","13696","10.1021/jacs.9b07035","","","0.71073","MoKα","","0.1439","0.0778","","","0.1634","0.1944","","","","","","1.024","","","","has coordinates","221925","2020-10-21","18:00:00",""
"4128906","9.094","0.003","7.248","0.002","11.749","0.003","90","","96.62","0.02","90","","769.3","0.4","100","","100.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 I N2 O4 -","- C16 H15 I N2 O4 -","- C32 H30 I2 N4 O8 -","2","1","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","K-L~3~","0.0207","0.0196","","","0.0472","0.0474","","","","","","1.074","","","","has coordinates","221942","2020-10-21","18:00:00",""
"4128915","9.5103","0.0006","34.984","0.002","21.4829","0.0014","90","","101.519","0.0017","90","","7003.6","0.8","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H76 O5 S Si3 -","- C40 H76 O5 S Si3 -","- C240 H456 O30 S6 Si18 -","6","3","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.1204","0.0926","","","0.2484","0.2724","","","","","","1.036","","","","has coordinates,has disorder","221951","2020-10-21","18:00:00",""
"4128921","8.169","0.002","23.029","0.006","12.208","0.003","90","","91.379","0.004","90","","2296","1","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 Fe O6 -","- C26 H32 Fe O6 -","- C104 H128 Fe4 O24 -","4","2","","Burns, Alexander S.; Rychnovsky, Scott D.","Total Synthesis and Structure Revision of (-)-Illisimonin A, a Neuroprotective Sesquiterpenoid from the Fruits of Illicium simonsii.","Journal of the American Chemical Society","2019","141","34","13295","13300","10.1021/jacs.9b05065","","","0.71073","MoKα","","0.0623","0.0528","","","0.1258","0.1305","","","","","","1.043","","","","has coordinates","221957","2020-10-21","18:00:00",""
"4128933","25.919","0.0011","9.9765","0.0004","26.3509","0.0011","90","","112.699","0.002","90","","6286.1","0.5","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O2 Si -","- C33 H42 N2 O2 Si -","- C264 H336 N16 O16 Si8 -","8","4","","Han, Ye-Qiang; Ding, Yi; Zhou, Tao; Yan, Sheng-Yi; Song, Hong; Shi, Bing-Feng","Pd(II)-Catalyzed Enantioselective Alkynylation of Unbiased Methylene C(sp3)-H Bonds Using 3,3'-Fluorinated-BINOL as a Chiral Ligand.","Journal of the American Chemical Society","2019","141","11","4558","4563","10.1021/jacs.9b01124","","","1.54178","CuKα","","0.1056","0.1016","","","0.293","0.3039","","","","","","1.381","","","","has coordinates,has disorder","221968","2020-10-21","18:00:00",""
"4128940","10.848","0.0004","4.7553","0.0002","11.5172","0.0005","90","","111.111","0.004","90","","554.25","0.04","99.99","0.16","99.99","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C22 H28 Cl2 N2 O4 -","2","1","","Gao, Tao-Tao; Zhang, Wen-Wen; Sun, Xin; Lu, Hou-Xiang; Li, Bi-Jie","Stereodivergent Synthesis through Catalytic Asymmetric Reversed Hydroboration.","Journal of the American Chemical Society","2019","141","11","4670","4677","10.1021/jacs.8b13520","","x-ray","1.54184","CuKα","","0.0362","0.0336","","","0.082","0.0841","","","","","","1.061","","","","has coordinates","221975","2020-10-21","18:00:00",""
"4128944","9.102","0.002","6.967","0.002","10.962","0.003","90","","91.026","0.008","90","","695","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Br2 N O2 -","- C15 H11 Br2 N O2 -","- C30 H22 Br4 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1451","0.0574","","","0.1381","0.1891","","","","","","0.953","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128948","12.4658","0.0007","16.2947","0.0009","21.744","0.0012","90","","97.257","0.003","90","","4381.4","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H50 F24 N16 O4 P4 Ru2 -","- C66 H50 F24 N16 O4 P4 Ru2 -","- C132 H100 F48 N32 O8 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1063","0.071","","","0.1717","0.19","","","","","","1.044","","","","has coordinates,has disorder","275683","2022-05-30","09:11:54",""
"4128949","12.5327","0.0014","16.3645","0.0019","21.809","0.003","90","","97.129","0.005","90","","4438.3","0.9","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F24 N14 P4 Ru2 -","- C64 H44 F24 N14 P4 Ru2 -","- C128 H88 F48 N28 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1158","0.0758","","","0.1894","0.2114","","","","","","0.984","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4128962","11.3708","0.0006","4.6026","0.0002","20.5978","0.001","90","","94.029","0.002","90","","1075.33","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 Br2 O2 -","- C24 H24 Br2 O2 -","- C48 H48 Br4 O4 -","2","1","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.03","0.0243","","","0.0517","0.0531","","","","","","1.052","","","","has coordinates,has disorder","221994","2020-10-21","18:00:00",""
"4128963","11.0641","0.0006","22.4546","0.001","11.081","0.0006","90","","99.705","0.002","90","","2713.6","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H34 Br2 Co N O P -","- C27 H34 Br2 Co N O P -","- C108 H136 Br8 Co4 N4 O4 P4 -","4","2","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.0204","0.0189","","","0.0506","0.051","","","","","","1.118","","","","has coordinates","221995","2020-10-21","18:00:00",""
"4129024","7.36657","0.00008","9.85708","0.00014","14.2852","0.00019","90","","94.3143","0.0011","90","","1034.35","0.02","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C46 H68 O14 -","2","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","","1.54184","CuKα","","0.0393","0.0384","","","0.1025","0.105","","","","","","1.078","","","","has coordinates","222031","2020-10-21","18:00:00",""
"4129025","10.883","0.004","14.071","0.006","13.651","0.006","90","","105.587","0.011","90","","2013.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","2","","Xu, Jiasu; Rawal, Viresh H.","Total Synthesis of (-)-Ambiguine P.","Journal of the American Chemical Society","2019","141","12","4820","4823","10.1021/jacs.9b01739","","","0.71073","MoKα","","0.1015","0.0543","","","0.1276","0.1494","","","","","","1.028","","","","has coordinates","222032","2020-10-21","18:00:00",""
"4129030","7.8235","0.0001","8.2819","0.0001","16.211","0.0002","90","","96.355","0.001","90","","1043.91","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0421","0.0411","","","0.1141","0.1153","","","","","","1.067","","","","has coordinates","222037","2020-10-21","18:00:00",""
"4129035","10.7002","0.0004","23.8506","0.0008","22.5203","0.0008","90","","98.085","0.001","90","","5690.2","0.4","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 O10 -","- C36 H36 O10 -","- C216 H216 O60 -","6","3","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","1.34139","GaKα","","0.1336","0.102","","","0.2625","0.299","","","","","","1.067","","","","has coordinates","222042","2020-10-21","18:00:00",""
"4129039","9.491","0.002","6.116","0.0008","9.9296","0.0018","90","","101.54","0.02","90","","564.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O3 S -","- C10 H15 N O3 S -","- C20 H30 N2 O6 S2 -","2","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0586","0.0423","","","0.1054","0.1185","","","","","","0.809","","","","has coordinates","222046","2020-10-21","18:00:00",""
"4129041","6.8458","0.0003","11.2304","0.0004","16.4338","0.0006","90","","99.126","0.002","90","","1247.46","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Br N2 Ni -","- C24 H40 Br N2 Ni -","- C48 H80 Br2 N4 Ni2 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0377","0.0353","","","0.08","0.0818","","","","","","1.115","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129042","6.849","0.003","11.091","0.005","32.493","0.013","90","","93.69","0.015","90","","2463.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl N2 Ni -","- C24 H40 Cl N2 Ni -","- C96 H160 Cl4 N8 Ni4 -","4","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0698","0.0652","","","0.1475","0.1492","","","","","","1.359","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129045","13.3155","0.0004","12.3857","0.0003","13.9317","0.0004","90","","104.318","0.001","90","","2226.27","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H72 Br2 N4 Ni2 -","- C44 H72 Br2 N4 Ni2 -","- C88 H144 Br4 N8 Ni4 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0207","0.0206","","","0.0513","0.0514","","","","","","1.05","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129074","11.3601","0.0007","5.8169","0.0003","13.5193","0.0009","90","","107.48","0.003","90","","852.11","0.09","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Title","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129090","9.2034","0.0002","21.8162","0.0004","9.4423","0.0002","90","","116.195","0.003","90","","1701.15","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","2","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0406","0.0403","","","0.1034","0.1037","","","","","","1.058","","","","has coordinates","227679","2020-10-21","18:00:00",""
"4129141","10.6487","0.0012","7.4485","0.0008","10.8541","0.0012","90","","102.152","0.008","90","","841.62","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-benzyl-2,9-dimethyl-4-(trifluoromethyl)-3a,4,7,7a-tetrahydro-1H-4,7-(epiminomethano)isoindole-1,3(2H)-dione","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C38 H38 F6 N4 O4 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF3 Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0437","0.0382","","","0.092","0.0953","","","","","","1.029","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129169","10.40748","0.00019","18.4667","0.0004","11.24341","0.00019","90","","101.052","0.0017","90","","2120.82","0.07","295.9","0.3","295.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 Br O2 -","- C25 H23 Br O2 -","- C100 H92 Br4 O8 -","4","2","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO2.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.0553","0.0501","","","0.1394","0.1481","","","","","","1.031","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129189","4.807","0.0002","7.0174","0.0002","14.3984","0.0006","90","","96.901","0.003","90","","482.18","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br N O -","- C10 H10 Br N O -","- C20 H20 Br2 N2 O2 -","2","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.0235","0.0235","","","0.0625","0.0625","","","","","","1.098","","","","has coordinates","231151","2020-10-21","18:00:00",""
"4129191","8.3443","0.0003","9.168","0.0002","21.3184","0.0009","90","","98.157","0.003","90","","1614.37","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H29 B2 F8 N7 Ru -","- C32 H29 B2 F8 N7 Ru -","- C64 H58 B4 F16 N14 Ru2 -","2","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.059","0.0543","","","0.1341","0.1365","","","","","","0.995","","","","has coordinates,has disorder","231153","2020-10-21","18:00:00",""
"4129230","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0857","0.0463","","","0.0661","0.0722","","","","","","1.036","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129292","8.385","0.0009","5.7634","0.0006","11.4508","0.0011","90","","104.014","0.003","90","","536.9","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 S -","- C10 H11 Br O2 S -","- C20 H22 Br2 O4 S2 -","2","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones.","Journal of the American Chemical Society","2015","137","9","3201","3204","10.1021/jacs.5b00216","","","0.71073","MoKα","","0.0381","0.0368","","","0.1083","0.1089","","","","","","1.463","","","","has coordinates","240041","2020-10-21","18:00:00",""
"4129332","13.2436","0.0014","9.5398","0.0011","16.2198","0.0018","90","","93.458","0.005","90","","2045.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br O3 S -","- C23 H19 Br O3 S -","- C92 H76 Br4 O12 S4 -","4","2","","Luan, Yi; Barbato, Keith S.; Moquist, Philip N.; Kodama, Tomohiro; Schaus, Scott E.","Enantioselective synthesis of 1,2-dihydronaphthalene-1-carbaldehydes by addition of boronates to isochromene acetals catalyzed by tartaric acid.","Journal of the American Chemical Society","2015","137","9","3233","3236","10.1021/jacs.5b00757","","","0.71073","MoKα","","0.0493","0.0333","","","0.0768","0.0828","","","","","","1.025","","","","has coordinates","240067","2020-10-21","18:00:00",""
"4129348","6.0489","0.0002","15.1101","0.0006","9.9467","0.0004","90","","95.299","0.002","90","","905.24","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C19 H23 B Br N O -","- C19 H23 B Br N O -","- C38 H46 B2 Br2 N2 O2 -","2","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.0541","0.0342","","","0.0835","0.0904","","","","","","1.037","","","","has coordinates","240083","2020-10-21","18:00:00",""
"4129365","10.2957","0.0007","18.7762","0.001","11.7473","0.0008","90","","113.372","0.005","90","","2084.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H61 B2 Li O4 -","- C46 H61 B2 Li O4 -","- C92 H122 B4 Li2 O8 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0759","0.061","","","0.1416","0.1499","","","","","","1.077","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129370","13.4404","0.0018","6.0532","0.0008","31.206","0.004","90","","98.199","0.003","90","","2512.9","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br Cl O -","- C12 H16 Br Cl O -","- C96 H128 Br8 Cl8 O8 -","8","4","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.049","0.0409","","","0.1024","0.1061","","","","","","1.03","","","","has coordinates,has disorder","240097","2020-10-21","18:00:00",""
"4129373","7.9216","0.0003","7.4237","0.0003","8.8915","0.0004","90","","100.751","0.0011","90","","513.71","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H14 Br Cl O2 -","- C8 H14 Br Cl O2 -","- C16 H28 Br2 Cl2 O4 -","2","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","1.54184","CuKα","","0.0158","0.0158","","","0.0403","0.0404","","","","","","1.124","","","","has coordinates","240100","2020-10-21","18:00:00",""
"4129382","14.7015","0.0017","8.9613","0.001","15.8849","0.0018","90","","114.88","0.002","90","","1898.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","2","","Zheng, Jun; Wang, Shao-Bo; Zheng, Chao; You, Shu-Li","Asymmetric Dearomatization of Naphthols via a Rh-Catalyzed C(sp²)-H Functionalization/Annulation Reaction.","Journal of the American Chemical Society","2015","137","15","4880","4883","10.1021/jacs.5b01707","","","0.71073","MoKα","","0.0515","0.0391","","","0.0945","0.0995","","","","","","1.007","","","","has coordinates","240107","2020-10-21","18:00:00",""
"4129400","6.511","0.001","25.826","0.004","6.5577","0.001","90","","110.315","0.003","90","","1034.1","0.3","100","0.5","100","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","weixyz02","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0431","0.0385","","","0.0938","0.0962","","","","","","1.074","","","","has coordinates","240115","2020-10-21","18:00:00",""
"4129412","8.6282","0.0002","15.1464","0.0004","16.6519","0.0005","90","","93.451","0.002","90","","2172.23","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","CYH3-57A","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","2","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","0.71073","MoKα","","0.0415","0.0324","","","0.08","0.0839","","","","","","1.034","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4129415","14.8494","0.0006","9.7009","0.0004","14.1516","0.0006","90","","99.519","0.002","90","","2010.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","13118b","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0387","0.0371","","","0.0939","0.0951","","","","","","1.038","","","","has coordinates,has disorder","240130","2020-10-21","18:00:00",""
"4129430","13.2818","0.0008","5.4168","0.0003","17.4542","0.0009","90","","106.944","0.002","90","","1201.23","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 B2 Br2 O4 -","- C27 H21 B2 Br2 O4 -","- C54 H42 B4 Br4 O8 -","2","1","","Lu, Zhenpin; Hausmann, Heike; Becker, Sabine; Wegner, Hermann A.","Aromaticity as stabilizing element in the bidentate activation for the catalytic reduction of carbon dioxide.","Journal of the American Chemical Society","2015","137","16","5332","5335","10.1021/jacs.5b02905","","","0.71073","MoKα","","0.0519","0.044","","","0.1045","0.1089","","","","","","1.107","","","","has coordinates,has disorder","240145","2020-10-21","18:00:00",""
"4129432","17.6439","0.0005","5.9607","0.0002","18.9","0.0005","90","","110.686","0.0018","90","","1859.56","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","2","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0529","0.0449","","","0.1088","0.1126","","","","","","1.052","","","","has coordinates,has disorder","240147","2020-10-21","18:00:00",""
"4129448","23.0752","0.0008","6.2109","0.0002","23.7697","0.0007","90","","107.145","0.002","90","","3255.24","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H61 F O Si -","- C32.9999 H60.9998 F O Si -","- C132 H243.999 F4 O4 Si4 -","4","2","","Sandford, Christopher; Rasappan, Ramesh; Aggarwal, Varinder K.","Synthesis of Enantioenriched Alkylfluorides by the Fluorination of Boronate Complexes.","Journal of the American Chemical Society","2015","137","32","10100","10103","10.1021/jacs.5b05848","","","0.71073","MoKα","","0.1266","0.0683","","","0.1315","0.1597","","","","","","1.01","","","","has coordinates,has disorder","240163","2020-10-21","18:00:00",""
"4129456","10.563","0.012","13.746","0.015","10.995","0.012","90","","113.422","0.013","90","","1465","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Wang, Xuan; Wang, Shulin; Xue, Weichao; Gong, Hegui","Nickel-Catalyzed Reductive Coupling of Aryl Bromides with Tertiary Alkyl Halides.","Journal of the American Chemical Society","2015","137","36","11562","11565","10.1021/jacs.5b06255","","","0.71073","MoKα","","0.0444","0.0364","","","0.0812","0.0861","","","","","","1.032","","","","has coordinates","240171","2020-10-21","18:00:00",""
"4129480","10.2208","0.0003","23.966","0.0009","11.4286","0.0004","90","","91.7114","0.0016","90","","2798.21","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56.33 H58.66 Co2 N8 O12 -","- C56.314 H58.628 Co2 N8 O12 -","- C112.628 H117.256 Co4 N16 O24 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0782","0.0741","","","0.1843","0.1867","","","","","","1.152","","","","has coordinates","240191","2020-10-21","18:00:00",""
"4129481","10.2416","0.0006","24.956","0.0015","11.4453","0.0007","90","","91.106","0.003","90","","2924.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.4 H50 Co2 N10.4 O16.8 -","- C60.436 H50.03 Co2 N10.406 O16.812 -","- C120.872 H100.06 Co4 N20.812 O33.624 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0862","0.084","","","0.2","0.2012","","","","","","1.014","","","","has coordinates,has disorder","240192","2020-10-21","18:00:00",""
"4129482","11.4463","0.0003","24.6528","0.0007","20.3256","0.0006","90","","92.6948","0.0013","90","","5729.2","0.3","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C113.82 H103.53 Co4 N16 O27.87 -","- C113.825 H103.533 Co4 N16 O27.869 -","- C227.65 H207.066 Co8 N32 O55.738 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0709","0.0579","","","0.1452","0.1529","","","","","","1.014","","","","has coordinates,has disorder","240193","2020-10-21","18:00:00",""
"4129483","10.2292","0.0003","24.7002","0.0007","11.4243","0.0003","90","","90.087","0.0016","90","","2886.5","0.14","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.18 H45.65 Co2 N9.53 O15.06 -","- C55.162 H45.635 Co2 N9.527 O15.054 -","- C110.324 H91.27 Co4 N19.054 O30.108 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0844","0.0751","","","0.1967","0.2036","","","","","","1.088","","","","has coordinates,has disorder","240194","2020-10-21","18:00:00",""
"4129484","11.4393","0.0002","24.6749","0.0005","20.3245","0.0004","90","","92.3471","0.0006","90","","5732.05","0.19","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C115.49 H106.92 Cl1.18 Co4 N16 O26.88 -","- C115.494 H106.918 Cl1.178 Co4 N16 O26.88 -","- C230.988 H213.836 Cl2.356 Co8 N32 O53.76 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0526","0.0421","","","0.1026","0.1077","","","","","","1.02","","","","has coordinates,has disorder","240195","2020-10-21","18:00:00",""
"4129505","5.9305","0.0004","20.1095","0.0013","15.573","0.002","90","","90.69","0.01","90","","1857.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C76 H116 N4 O16 -","4","2","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.1108","0.1017","","","0.2649","0.2814","","","","","","1.286","","","","has coordinates","240213","2020-10-21","18:00:00",""
"4129545","10.4745","0.0015","16.186","0.002","10.6057","0.0015","90","","117.492","0.001","90","","1595","0.4","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28 Au Cl F3 P2 Sb -","- C36 H28 Au Cl F3 P2 Sb -","- C72 H56 Au2 Cl2 F6 P4 Sb2 -","2","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0491","0.0486","","","0.1178","0.1181","","","","","","1.045","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129548","5.7323","0.0012","7.92","0.002","12.149","0.002","90","","98.524","0.006","90","","545.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O2 -","- C11 H15 Br O2 -","- C22 H30 Br2 O4 -","2","1","","Liang, Tao; Zhang, Wandi; Chen, Te-Yu; Nguyen, Khoa D.; Krische, Michael J.","Ruthenium Catalyzed Diastereo- and Enantioselective Coupling of Propargyl Ethers with Alcohols: Siloxy-Crotylation via Hydride Shift Enabled Conversion of Alkynes to π-Allyls.","Journal of the American Chemical Society","2015","137","40","13066","13071","10.1021/jacs.5b08019","","","0.71073","MoKα","","0.0366","0.0271","","","0.0487","0.0506","","","","","","1.006","","","","has coordinates","240246","2020-10-21","18:00:00",""
"4129571","7.437","0.0006","9.6628","0.0008","11.6887","0.001","90","","96.907","0.001","90","","833.88","0.12","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H17 Br Cl2 Fe O2 -","- C16 H17 Br Cl2 Fe O2 -","- C32 H34 Br2 Cl4 Fe2 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0196","0.0187","","","0.0478","0.048","","","","","","1.032","","","","has coordinates","240268","2020-10-21","18:00:00",""
"4129572","15.2839","0.0006","9.8799","0.0004","15.4258","0.0006","90","","101.082","0.002","90","","2285.91","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H25 Br2 Cl3 Fe O2 -","- C21 H25 Br2 Cl3 Fe O2 -","- C84 H100 Br8 Cl12 Fe4 O8 -","4","2","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0727","0.0533","","","0.1103","0.1175","","","","","","1.051","","","","has coordinates,has disorder","240269","2020-10-21","18:00:00",""
"4129573","9.6424","0.001","7.2529","0.0007","10.6701","0.001","90","","106.601","0.003","90","","715.11","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Br2 Cl2 O2 -","- C9 H16 Br2 Cl2 O2 -","- C18 H32 Br4 Cl4 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0398","0.0356","","","0.0948","0.0968","","","","","","1.08","","","","has coordinates","240270","2020-10-21","18:00:00",""
"4129584","7.4116","0.0002","8.4114","0.0003","14.1853","0.0004","90","","98.761","0.003","90","","874.02","0.05","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","1.54184","CuKα","","0.0366","0.036","","","0.1003","0.1008","","","","","","1.078","","","","has coordinates","240281","2020-10-21","18:00:00",""
"4129585","8.6632","0.001","7.4512","0.0008","16.987","0.002","90","","91.269","0.01","90","","1096.3","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0825","0.0718","","","0.1587","0.1702","","","","","","1.048","","","","has coordinates","240282","2020-10-21","18:00:00",""
"4129606","9.3002","0.001","5.7332","0.0006","37.635","0.004","90","","96.688","0.007","90","","1993","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F3 O4 -","- C22 H21 F3 O4 -","- C88 H84 F12 O16 -","4","2","","Wu, Xiang; Lin, Hua-Chen; Li, Ming-Li; Li, Lu-Lu; Han, Zhi-Yong; Gong, Liu-Zhu","Enantioselective 1,2-Difunctionalization of Dienes Enabled by Chiral Palladium Complex-Catalyzed Cascade Arylation/Allylic Alkylation Reaction.","Journal of the American Chemical Society","2015","137","42","13476","13479","10.1021/jacs.5b08734","","","1.54178","CuKα","","0.0761","0.0705","","","0.1933","0.1982","","","","","","1.063","","","","has coordinates","240298","2020-10-21","18:00:00",""
"4129664","11.364","0.003","7.4049","0.0019","12.903","0.004","90","","111.522","0.004","90","","1010.1","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0412","0.0323","","","0.0775","0.0966","","","","","","1.044","","","","has coordinates","240338","2020-10-21","18:00:00",""
"4129665","14.034","0.002","9.8516","0.0014","21.688","0.003","90","","90.641","0.003","90","","2998.3","0.7","115","2","115","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl F6 N4 O4 P -","- C70 H58 Cl F6 N4 O4 P -","- C140 H116 Cl2 F12 N8 O8 P2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0446","0.0405","","","0.0987","0.1051","","","","","","1.051","","","","has coordinates","240339","2020-10-21","18:00:00",""
"4129679","14.4697","0.0007","19.4187","0.0008","16.725","0.0008","90","","101.333","0.002","90","","4607.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H120 Li6 N6 O12 -","- C78 H120 Li6 N6 O12 -","- C156 H240 Li12 N12 O24 -","2","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0788","0.0679","","","0.1796","0.1879","","","","","","1.081","","","","has coordinates","240353","2020-10-21","18:00:00",""
"4129693","8.4808","0.0006","24.6772","0.0017","10.9388","0.0007","90","","97.166","0.004","90","","2271.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Goodman, C. Guy; Johnson, Jeffrey S.","Asymmetric Synthesis of β-Amino Amides by Catalytic Enantioconvergent 2-Aza-Cope Rearrangement.","Journal of the American Chemical Society","2015","137","46","14574","14577","10.1021/jacs.5b09593","","","1.54178","CuKα","","0.06","0.053","","","0.1429","0.148","","","","","","1.045","","","","has coordinates","240362","2020-10-21","18:00:00",""
"4129724","27.1632","0.0017","44.317","0.003","29.6106","0.0015","90","","91.101","0.002","90","","35638","4","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C258 H162 Co4 F48 N39 O28 P7 S2 -","- C257.3 H162 Co4 F25.65 N38.65 O26.6 P3.625 S1.3 -","- C1029.2 H648 Co16 F102.6 N154.6 O106.4 P14.5 S5.2 -","4","2","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1176","0.0935","","","0.2479","0.2714","","","","","","0.994","","","","has coordinates","240392","2020-10-21","18:00:00",""
"4129745","7.6454","0.0004","5.5106","0.0003","14.2743","0.0007","90","","91.93","0.002","90","","601.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O -","- C16 H16 O -","- C32 H32 O2 -","2","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0297","0.0294","","","0.0804","0.0806","","","","","","1.108","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129751","10.4928","0.0018","7.5529","0.0013","13.883","0.002","90","","98.217","0.004","90","","1088.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Howell, Jennifer M.; Feng, Kaibo; Clark, Joseph R.; Trzepkowski, Louis J.; White, M. Christina","Remote Oxidation of Aliphatic C-H Bonds in Nitrogen-Containing Molecules.","Journal of the American Chemical Society","2015","137","46","14590","14593","10.1021/jacs.5b10299","","","1.54178","CuKα","","0.0342","0.0339","","","0.0847","0.085","","","","","","1.137","","","","has coordinates","240413","2020-10-21","18:00:00",""
"4129771","4.8225","0.0004","8.003","0.0005","15.9946","0.001","90","","97.432","0.002","90","","612.12","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N4 O5 S -","- C10 H14 N4 O5 S -","- C20 H28 N8 O10 S2 -","2","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0274","0.0249","","","0.0562","0.0575","","","","","","1.061","","","","has coordinates","240428","2020-10-21","18:00:00",""
"4129841","6.52","0.004","18.36","0.01","12.283","0.007","90","","99.174","0.01","90","","1451.6","1.5","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl N2 O3 Si -","- C28 H37 Cl N2 O3 Si -","- C56 H74 Cl2 N4 O6 Si2 -","2","1","","Cheng, Qing-Qing; Yedoyan, Julietta; Arman, Hadi; Doyle, Michael P.","Copper-Catalyzed Divergent Addition Reactions of Enoldiazoacetamides with Nitrones.","Journal of the American Chemical Society","2016","138","1","44","47","10.1021/jacs.5b10860","","","0.71075","MoKα","","0.0925","0.0782","","","0.1385","0.1474","","","","","","1.036","","","","has coordinates","240494","2020-10-21","18:00:00",""
"4129847","11.4134","0.0004","6.2066","0.0002","11.8551","0.0004","90","","103.613","0.002","90","","816.2","0.05","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0466","0.0379","","","0.0941","0.1012","","","","","","1.002","","","","has coordinates","240499","2020-10-21","18:00:00",""
"4129851","5.36319","0.00014","20.335","0.0005","9.7083","0.0003","90","","91.135","0.006","90","","1058.58","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 F4 N3 O3 -","- C22 H23 F4 N3 O3 -","- C44 H46 F8 N6 O6 -","2","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0504","0.0412","","","0.1008","0.1191","","","","","","1.174","","","","has coordinates","240503","2020-10-21","18:00:00",""
"4129858","7.5087","0.0002","19.9025","0.0006","11.5097","0.0005","90","","93.255","0.003","90","","1717.26","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C78 H90 N6 O12 -","6","3","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0318","0.0308","","","0.0791","0.0801","","","","","","1.047","","","","has coordinates","240510","2020-10-21","18:00:00",""
"4129859","8.3112","0.0015","7.2566","0.0013","8.9068","0.0017","90","","95.146","0.002","90","","535.01","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0236","0.0236","","","0.0632","0.0633","","","","","","1.064","","","","has coordinates","240511","2020-10-21","18:00:00",""
"4129861","8.7567","0.0012","7.246","0.001","9.0118","0.0014","90","","96.915","0.007","90","","567.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0209","0.0207","","","0.0547","0.055","","","","","","1.063","","","","has coordinates","240513","2020-10-21","18:00:00",""
"4129867","6.2435","0.0002","8.0069","0.0002","18.0851","0.0004","90","","92.9155","0.0019","90","","902.92","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0597","0.043","","","0.1155","0.1536","","","","","","1.177","","","","has coordinates","240519","2020-10-21","18:00:00",""
"4129868","8.2912","0.0002","6.8967","0.0002","12.5196","0.0003","90","","91.6756","0.0017","90","","715.59","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0555","0.0356","","","0.0727","0.0903","","","","","","1.116","","","","has coordinates","240520","2020-10-21","18:00:00",""
"4129889","7.7418","0.0004","12.0109","0.0006","10.5954","0.0006","90","","103.683","0.002","90","","957.26","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 N O3 S -","- C19 H19 Br2 N O3 S -","- C38 H38 Br4 N2 O6 S2 -","2","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0269","0.0242","","","0.0507","0.0522","","","","","","1.056","","","","has coordinates","240537","2020-10-21","18:00:00",""
"4129937","22.5428","0.0002","10.7047","0.0001","24.0361","0.0002","90","","94.4528","0.0008","90","","5782.74","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C135 H159.7 Cl0.3 N2 O4.85 -","- C135 H159.7 Cl0.3 N2 O4.85 -","- C270 H319.4 Cl0.6 N4 O9.7 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0726","0.0625","","0.1727","0.1532","0.171","","","","","","0.975","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129994","9.9785","0.0003","31.1578","0.0009","10.1034","0.0003","90","","113.626","0.0015","90","","2877.95","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H56 B F20 O3 P Zr -","- C60 H56 B F20 O3 P Zr -","- C120 H112 B2 F40 O6 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0377","0.031","","","0.0603","0.0625","","","","","","1.017","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4130033","10.2142","0.0004","18.8081","0.0007","10.5146","0.0004","90","","90.0144","0.0018","90","","2019.96","0.13","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","2","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0557","0.0426","","","0.1091","0.1393","","","","","","1.146","","","","has coordinates","240626","2020-10-21","18:00:00",""
"4130034","10.6171","0.0004","14.0098","0.0005","18.6989","0.0006","90","","94.495","0.001","90","","2772.78","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","TL5-SSS","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","1.54178","CuKα","","0.0361","0.0338","","","0.0965","0.0986","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130051","5.8781","0.0003","10.3144","0.0006","21.1393","0.0012","90","","94.3996","0.0011","90","","1277.88","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N Si -","- C28 H28 Br N Si -","- C56 H56 Br2 N2 Si2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Catalytic Enantioselective Synthesis of Amino Skipped Diynes.","Journal of the American Chemical Society","2016","138","7","2150","2153","10.1021/jacs.5b13387","","","0.71073","MoKα","","0.0193","0.0182","","","0.0513","0.0575","","","","","","1.121","","","","has coordinates","240643","2020-10-21","18:00:00",""
"4130096","6.883","0.004","10.729","0.006","27.388","0.015","90","","95.788","0.01","90","","2012","2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl Fe N S -","- C23 H22 Cl Fe N S -","- C92 H88 Cl4 Fe4 N4 S4 -","4","2","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0462","0.0396","","","0.0927","0.0954","","","","","","1.147","","","","has coordinates","240671","2020-10-21","18:00:00",""
"4130116","12.0001","0.0012","7.6608","0.0012","12.186","0.002","90","","114.84","0.004","90","","1016.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C48 H46 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0461","0.0354","","","0.0783","0.0839","","","","","","1.029","","","","has coordinates","240680","2020-10-21","18:00:00",""
"4130142","16.291","0.002","15.03","0.002","24.604","0.004","90","","102.476","0.002","90","","5882.1","1.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H156 B2 N6 O12 -","- C122 H156 B2 N6 O12 -","- C244 H312 B4 N12 O24 -","2","1","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKα","","0.1649","0.1161","","","0.2697","0.3025","","","","","","1.111","","","","has coordinates,has disorder","275202","2022-05-07","03:29:12",""
"4130159","15.041","0.002","20.148","0.003","24.408","0.004","90","","93.946","0.003","90","","7379.2","1.9","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C155 H164 Cl4 O12 P4 Pd2 -","- C155 H164 Cl4 O12 P4 Pd2 -","- C310 H328 Cl8 O24 P8 Pd4 -","2","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.0811","0.0589","","","0.1505","0.1651","","","","","","0.991","","","","has coordinates,has disorder","240712","2020-10-21","18:00:00",""
"4130167","8.205","0.002","7.412","0.002","8.636","0.003","90","","100.618","0.01","90","","516.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C22 H22 Br2 O4 -","2","1","","Garza, Victoria J.; Krische, Michael J.","Hydroxymethylation beyond Carbonylation: Enantioselective Iridium-Catalyzed Reductive Coupling of Formaldehyde with Allylic Acetates via Enantiotopic π-Facial Discrimination.","Journal of the American Chemical Society","2016","138","11","3655","3658","10.1021/jacs.6b01078","","","0.71073","MoKα","","0.0229","0.022","","","0.0531","0.0535","","","","","","1.047","","","","has coordinates","240720","2020-10-21","18:00:00",""
"4130243","6.90752","0.00009","7.97355","0.00009","15.9186","0.0002","90","","100.406","0.0012","90","","862.336","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C42 H44 N4 O8 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0331","0.0286","","","0.0825","0.0849","","","","","","1.024","","","","has coordinates,has disorder","240745","2020-10-21","18:00:00",""
"4130244","10.2983","0.0009","8.8605","0.0008","12.0623","0.0011","90","","93.01","0.003","90","","1099.14","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 I N2 O3 -","- C22 H29 I N2 O3 -","- C44 H58 I2 N4 O6 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.71073","MoKα","","0.0942","0.0798","","","0.1982","0.21","","","","","","1.031","","","","has coordinates,has disorder","240746","2020-10-21","18:00:00",""
"4130247","5.7277","0.0003","6.9124","0.0004","15.0468","0.0009","90","","97.42","0.004","90","","590.75","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C28 H22 N2 O8 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0613","0.0427","","","0.0929","0.1163","","","","","","1.091","","","","has coordinates","240749","2020-10-21","18:00:00",""
"4130249","25.1792","0.0005","9.4169","0.0002","32.0162","0.0006","90","","105.52","0.001","90","","7314.6","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C312 H396 N12 O60 -","12","6","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.1311","0.0706","","","0.1731","0.2536","","","","","","1.077","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130255","9.271","0.003","8.423","0.003","9.739","0.003","90","","114.214","0.005","90","","693.6","0.4","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0387","0.0371","","","0.0895","0.0901","","","","","","1.014","","","","has coordinates","240757","2020-10-21","18:00:00",""
"4130267","14.004","0.003","17.94","0.004","24.92","0.005","90","","105.84","0.03","90","","6023","2","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C124 H102 Au6 B2 F8 N2 P6 -","- C124 H102 Au6 B2 F8 N2 P6 -","- C248 H204 Au12 B4 F16 N4 P12 -","2","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0747","0.071","","","0.1843","0.1907","","","","","","1.091","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130275","12.8","0.0003","4.5826","0.0002","28.8266","0.0011","90","","96.488","0.003","90","","1680.06","0.11","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C14 H28 N4 O2 -","- C56 H112 N16 O8 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.1762","0.154","","0.2064","0.1687","0.1687","","","","","","1.0674","","","","has coordinates","240773","2020-10-21","18:00:00",""
"4130279","12.766","0.004","4.5679","0.0011","28.756","0.007","90","","96.47","0.02","90","","1666.2","0.8","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C13.9983 H28.0034 N4 O2.0034 -","- C55.9932 H112.014 N16 O8.0136 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.126","0.0922","","0.1509","0.1094","0.1094","","","","","","1.0948","","","","has coordinates,has disorder","240777","2020-10-21","18:00:00",""
"4130388","10.37","0.0002","13.8862","0.0002","12.7542","0.0001","90","","103.61","0.0008","90","","1785.03","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C58 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0347","0.0295","","","0.0633","0.0656","","","","","","1.024","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130394","10.3194","0.0008","8.9387","0.0008","20.8179","0.0014","90","","90.85","0.003","90","","1920.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H46 P2 Pd -","- C50 H46 P2 Pd -","- C100 H92 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0907","0.0599","","","0.1111","0.1222","","","","","","1.021","","","","has coordinates,has disorder","240834","2020-10-21","18:00:00",""
"4130398","17.411","0.003","7.9517","0.0016","30.177","0.006","90","","103.588","0.004","90","","4061","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H10 Cl14 N S4 -","- C35 H10 Cl14 N S4 -","- C140 H40 Cl56 N4 S16 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.2193","0.0614","","","0.1036","0.1457","","","","","","0.917","","","","has coordinates","240838","2020-10-21","18:00:00",""
"4130422","11.8007","0.0006","17.3405","0.0009","14.0927","0.0007","90","","91.239","0.003","90","","2883.1","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H68 Ce F6 K N5 O7 -","- C49 H68 Ce F6 K N5 O7 -","- C98 H136 Ce2 F12 K2 N10 O14 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0349","0.027","","","0.0557","0.0579","","","","","","1.006","","","","has coordinates,has disorder","240859","2020-10-21","18:00:00",""
"4130429","14.4312","0.0004","12.8954","0.0003","18.3009","0.0005","90","","92.161","0.002","90","","3403.3","0.15","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H28 Cl F4 Fe N5 O6 -","- C35 H28 Cl0.9995 F4 Fe N5 O5.998 -","- C140 H112 Cl3.998 F16 Fe4 N20 O23.992 -","4","2","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.034","0.0332","","","0.0904","0.0909","","","","","","1.018","","","","has coordinates,has disorder","240862","2020-10-21","18:00:00",""
"4130433","11.1346","0.0002","10.5539","0.0002","28.386","0.0006","90","","98.7877","0.0017","90","","3296.58","0.11","150","2","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H30 B F5 S -","- C42.0025 H30 B F5 S -","- C168.01 H120 B4 F20 S4 -","4","2","","Süsse, Lars; Hermeke, Julia; Oestreich, Martin","The Asymmetric Piers Hydrosilylation.","Journal of the American Chemical Society","2016","138","22","6940","6943","10.1021/jacs.6b03443","","x-ray","1.54184","CuKα","","0.0513","0.0425","","","0.1003","0.1124","","","","","","1.065","","","","has coordinates,has disorder","240866","2020-10-21","18:00:00",""
"4130468","16.0535","0.0008","23.8893","0.0011","17.5951","0.0008","90","","103.224","0.0013","90","","6568.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C133 H98 Au6 Cl6 P6 S -","- C133 H98 Au6 Cl6 P6 S -","- C266 H196 Au12 Cl12 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0285","0.0247","","","0.054","0.0552","","","","","","1.115","","","","has coordinates,has disorder","240892","2020-10-21","18:00:00",""
"4130470","16.599","0.006","21.904","0.008","24.856","0.01","90","","96.827","0.007","90","","8973","6","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1209","0.1074","","","0.2552","0.2646","","","","","","1.022","","","","has coordinates,has disorder","240894","2020-10-21","18:00:00",""
"4130471","16.0034","0.0011","23.9493","0.0016","17.4176","0.0012","90","","103.649","0.002","90","","6487.1","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C134 H102 Au6 Cl6 O P6 S -","- C134 H102 Au6 Cl6 O P6 S -","- C268 H204 Au12 Cl12 O2 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0369","0.0298","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","240895","2020-10-21","18:00:00",""
"4130472","16.694","0.003","21.993","0.004","24.942","0.005","90","","96.59","0.03","90","","9097","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1004","0.0909","","","0.2055","0.2107","","","","","","1.035","","","","has coordinates","240896","2020-10-21","18:00:00",""
"4130535","22.28","0.01","18.09","0.01","24.96","0.01","90","","106.28","0.02","90","","9657","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C341.6 H385.8 F45.1 N7.6 O141 P32 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.2891","0.1397","","","0.306","0.3501","","","","","","0.989","","","","has coordinates,has disorder","240943","2020-10-21","18:00:00",""
"4130536","11.93","0.002","17.817","0.001","12.515","0.003","90","","95.225","0.004","90","","2649.1","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H54 F9 N O18 P4 -","- C46 H54 F9 N O18 P4 -","- C92 H108 F18 N2 O36 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.6","","","0.0512","0.0489","","","0.1351","0.1371","","","","","","1.038","","","","has coordinates,has disorder","240944","2020-10-21","18:00:00",""
"4130541","12.859","0.0001","26.902","0.0001","17.078","0.0001","90","","109.58","0.03","90","","5566.2","1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C190.4 H235.6 Cl4 F27.6 N4 O66.3 P16 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.69999","","","0.1049","0.0818","","","0.2087","0.2306","","","","","","1.017","","","","has coordinates,has disorder","240949","2020-10-21","18:00:00",""
"4130556","5.7473","0.0002","25.7792","0.0007","15.3715","0.0004","90","","90.0512","0.0013","90","","2277.45","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","4","","Friis, Stig D.; Pirnot, Michael T.; Buchwald, Stephen L.","Asymmetric Hydroarylation of Vinylarenes Using a Synergistic Combination of CuH and Pd Catalysis.","Journal of the American Chemical Society","2016","138","27","8372","8375","10.1021/jacs.6b04566","","","1.54178","CuKα","","0.0304","0.03","","","0.0787","0.0793","","","","","","1.028","","","","has coordinates","240965","2020-10-21","18:00:00",""
"4130558","8.57","0.05","10.21","0.03","16.63","0.06","90","","98.84","0.12","90","","1438","11","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 O5 P2 -","- C33 H30 O5 P2 -","- C66 H60 O10 P4 -","2","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.082","0.0586","","","0.1071","0.1196","","","","","","1.028","","","","has coordinates","240967","2020-10-21","18:00:00",""
"4130570","10.1941","0.0008","26.676","0.002","12.0718","0.0009","90","","113.107","0.001","90","","3019.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H64 Cl F14 N7 O2 S2 -","- C54 H64 Cl F14 N7 O2 S2 -","- C108 H128 Cl2 F28 N14 O4 S4 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0495","0.0399","","","0.084","0.0884","","","","","","1.026","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130617","7.8217","0.0007","6.0909","0.0005","14.503","0.0012","90","","91.2816","0.0017","90","","690.77","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C34 H28 Br2 N2 O2 -","2","1","","Zhao, Chenfei; Chen, Shawn B.; Seidel, Daniel","Direct Formation of Oxocarbenium Ions under Weakly Acidic Conditions: Catalytic Enantioselective Oxa-Pictet-Spengler Reactions.","Journal of the American Chemical Society","2016","138","29","9053","9056","10.1021/jacs.6b05225","","","0.71073","MoKα","","0.048","0.0377","","","0.0715","0.0741","","","","","","1.199","","","","has coordinates","241013","2020-10-21","18:00:00",""
"4130623","9.5249","0.0003","5.8864","0.0002","14.3094","0.0004","90","","100.719","0.003","90","","788.29","0.04","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl3 N -","- C16 H16 Cl3 N -","- C32 H32 Cl6 N2 -","2","1","","Liu, Jie; Cao, Chao-Guo; Sun, Hong-Bao; Zhang, Xia; Niu, Dawen","Catalytic Asymmetric Umpolung Allylation of Imines.","Journal of the American Chemical Society","2016","138","40","13103","13106","10.1021/jacs.6b05288","","x-ray","1.54184","CuKα","","0.0493","0.0481","","","0.126","0.1281","","","","","","1.057","","","","has coordinates","241016","2020-10-21","18:00:00",""
"4130640","15.17028","0.00012","22.32611","0.00016","29.9089","0.0003","90","","102.991","0.0009","90","","9870.67","0.15","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C372 H512 Cl8 Cu16 K4 N32 O28 S4 -","4","2","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu4S Cluster with N2O Reductase Activity: A Structural and Functional Model for CuZ.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","x-ray","1.54184","CuKα","","0.086","0.0761","","","0.2148","0.227","","","","","","1.014","","","","has coordinates,has disorder","241033","2020-10-21","18:00:00",""
"4130684","5.9025","0.0014","12.201","0.003","12.309","0.003","90","","101.322","0.004","90","","869.2","0.4","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl2 N O4 -","- C20 H13 Cl2 N O4 -","- C40 H26 Cl4 N2 O8 -","2","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0422","","","","0.0977","","","","","","1","","","","has coordinates","241074","2020-10-21","18:00:00",""
"4130686","13.373","0.004","7.84","0.002","18.371","0.006","90","","109.497","0.005","90","","1815.7","0.9","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0604","","","","0.1009","","","","","","1.01","","","","has coordinates","241076","2020-10-21","18:00:00",""
"4130687","7.5905","0.0015","33.801","0.006","12.053","0.002","90","","107.278","0.003","90","","2952.9","0.9","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H26 Cl2 F3 N O5 S -","- C31 H26 Cl2 F3 N O5 S -","- C124 H104 Cl8 F12 N4 O20 S4 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0402","","","","0.0961","","","","","","1","","","","has coordinates","241077","2020-10-21","18:00:00",""
"4130712","7.087","0.0006","9.4712","0.0008","14.736","0.0013","90","","95.033","0.002","90","","985.3","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Y-PT","toste138","","- C25 H21 Br O2 -","- C25 H21 Br O2 -","- C50 H42 Br2 O4 -","2","1","","Yang, Zhenyu; He, Ying; Toste, F. Dean","Biomimetic Approach to the Catalytic Enantioselective Synthesis of Flavonoids.","Journal of the American Chemical Society","2016","138","31","9775","9778","10.1021/jacs.6b05939","","","0.71073","MoKα","","0.0304","0.0276","","","0.0659","0.0669","","","","","","1.063","","","","has coordinates","241101","2020-10-21","18:00:00",""
"4130726","9.5","0.0003","17.9686","0.0006","10.8015","0.0004","90","","114.926","0.001","90","","1672.09","0.1","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H56 B Ir N2 O2 P2 -","- C29 H56 B Ir N2 O2 P2 -","- C58 H112 B2 Ir2 N4 O4 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0179","0.0169","","","0.0417","0.042","","","","","","1.089","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130730","5.7846","0.0018","10.081","0.002","20.654","0.018","90","","95.51","0.03","90","","1198.9","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C54 H50 N2 O10 -","2","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0692","0.0653","","","0.2178","0.2209","","","","","","1.019","","","","has coordinates","241110","2020-10-21","18:00:00",""
"4130733","10.7939","0.0002","6.1019","0.0001","11.603","0.0003","90","","109.966","0.001","90","","718.28","0.03","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aR,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.027","0.0261","","","0.0639","0.0646","","","","","","1.047","","","","has coordinates","241113","2020-10-21","18:00:00",""
"4130740","5.5631","0.0004","17.6908","0.0013","21.5907","0.0016","90","","90.0191","0.0013","90","","2124.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O S -","- C25 H29 N O S -","- C100 H116 N4 O4 S4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0472","0.0424","","","0.1017","0.1055","","","","","","1.05","","","","has coordinates,has disorder","241119","2020-10-21","18:00:00",""
"4130741","12.3219","0.0015","9.9416","0.0012","20.196","0.003","90","","107.031","0.003","90","","2365.5","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Br N O P -","- C27 H25 Br N O P -","- C108 H100 Br4 N4 O4 P4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0498","0.0444","","","0.1082","0.1112","","","","","","1.066","","","","has coordinates","241120","2020-10-21","18:00:00",""
"4130766","6.3424","0.0005","16.9401","0.0014","9.9234","0.0008","90","","103.876","0.0012","90","","1035.06","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0358","0.0318","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","241134","2020-10-21","18:00:00",""
"4130767","8.5261","0.001","9.7486","0.0011","11.1669","0.0013","90","","107.702","0.0019","90","","884.22","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0324","0.0316","","","0.0853","0.086","","","","","","1.051","","","","has coordinates","241135","2020-10-21","18:00:00",""
"4130769","8.682","0.002","10.303","0.003","15.433","0.004","90","","101.054","0.004","90","","1354.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C56 H96 O8 Si2 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0664","0.0559","","","0.1423","0.1471","","","","","","1.129","","","","has coordinates","241137","2020-10-21","18:00:00",""
"4130772","8.6715","0.0003","10.3828","0.0004","9.4244","0.0004","90","","100.887","0.002","90","","833.25","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0319","0.0299","","","0.0727","0.0739","","","","","","1.068","","","","has coordinates","241140","2020-10-21","18:00:00",""
"4130775","10.0283","0.0014","6.7122","0.0009","14.1747","0.0019","90","","101.993","0.006","90","","933.3","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C38 H52 O6 Si2 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0286","0.028","","","0.073","0.0746","","","","","","1.043","","","","has coordinates","241143","2020-10-21","18:00:00",""
"4130802","8.5059","0.0003","10.5556","0.0003","11.4816","0.0004","90","","93.9911","0.0016","90","","1028.37","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Au I P -","- C19 H27 Au I P -","- C38 H54 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","","0.71073","MoKα","","0.052","0.0436","","","0.109","0.1165","","","","","","1.092","","","","has coordinates","241167","2020-10-21","18:00:00",""
"4130814","14.713","0.0016","11.1639","0.0012","16.1379","0.0019","90","","103.704","0.002","90","","2575.3","0.5","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0702","0.0519","","","0.1105","0.1199","","","","","","1.028","","","","has coordinates","241174","2020-10-21","18:00:00",""
"4130815","14.7006","0.0013","11.1469","0.0009","16.1292","0.0014","90","","103.773","0.002","90","","2567","0.4","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0277","0.0265","","","0.0714","0.072","","","","","","1.055","","","","has coordinates,has disorder","241175","2020-10-21","18:00:00",""
"4130819","10.587","0.005","5.476","0.003","15.006","0.008","90","","98.981","0.007","90","","859.3","0.8","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 O2 -","- C17 H16 Br N4 O2 -","- C34 H32 Br2 N8 O4 -","2","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0318","0.0265","","","0.0448","0.0459","","","","","","1.118","","","","has coordinates","241179","2020-10-21","18:00:00",""
"4130826","8.4516","0.0009","13.5668","0.0015","11.368","0.0013","90","","97.205","0.0017","90","","1293.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 B2 F8 Fe N4 O4 -","- C17 H26 B2 F8 Fe N4 O4 -","- C34 H52 B4 F16 Fe2 N8 O8 -","2","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0463","0.0447","","","0.1195","0.1214","","","","","","1.043","","","","has coordinates,has disorder","241186","2020-10-21","18:00:00",""
"4130838","6.3276","0.0011","15.14","0.003","14.425","0.003","90","","94.901","0.005","90","","1376.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C64 H92 N4 O4 -","4","2","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.71073","MoKα","","0.0436","0.041","","","0.1112","0.1135","","","","","","1.059","","","","has coordinates","241197","2020-10-21","18:00:00",""
"4130846","15.0088","0.0004","10.2881","0.0003","16.7851","0.0012","90","","105.568","0.008","90","","2496.7","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36.5 H21 Cl O -","- C36.5 H21 Cl O -","- C146 H84 Cl4 O4 -","4","2","","Sako, Makoto; Takeuchi, Yoshiki; Tsujihara, Tetsuya; Kodera, Junpei; Kawano, Tomikazu; Takizawa, Shinobu; Sasai, Hiroaki","Efficient Enantioselective Synthesis of Oxahelicenes Using Redox/Acid Cooperative Catalysts.","Journal of the American Chemical Society","2016","138","36","11481","11484","10.1021/jacs.6b07424","","","1.54187","CuKα","","","0.0554","","","","0.1567","","","","","","1.008","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4130859","5.4275","0.0005","18.9357","0.0017","16.5145","0.0015","90","","91.1186","0.0012","90","","1696.9","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","2","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0306","0.028","","","0.0713","0.0725","","","","","","1.077","","","","has coordinates","241217","2020-10-21","18:00:00",""
"4130861","5.7195","0.0004","14.2673","0.001","11.2806","0.0008","90","","90.5948","0.0009","90","","920.47","0.11","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C40 H44 O8 S2 -","2","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0271","0.0261","","","0.066","0.0668","","","","","","1.032","","","","has coordinates","241219","2020-10-21","18:00:00",""
"4130900","7.1366","0.0018","12.004","0.003","11.688","0.003","90","","102.43","0.02","90","","977.8","0.4","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 N3 O2 -","- C21 H21 Cl2 N3 O2 -","- C42 H42 Cl4 N6 O4 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.0376","0.0348","","","0.0844","0.0863","","","","","","1.047","","","","has coordinates","241254","2020-10-21","18:00:00",""
"4130901","7.2467","0.0003","12.0275","0.0004","9.5303","0.0004","90","","109.102","0.0019","90","","784.92","0.05","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F2 N O2 -","- C18 H12 Br F2 N O2 -","- C36 H24 Br2 F4 N2 O4 -","2","1","","Huang, Yinhua; Hayashi, Tamio","Rhodium-Catalyzed Asymmetric Arylation/Defluorination of 1-(Trifluoromethyl)alkenes Forming Enantioenriched 1,1-Difluoroalkenes.","Journal of the American Chemical Society","2016","138","38","12340","12343","10.1021/jacs.6b07844","","","0.71073","MoKα","","0.0576","0.0353","","","0.0633","0.0701","","","","","","0.905","","","","has coordinates","241255","2020-10-21","18:00:00",""
"4130971","11.5874","0.0016","23.587","0.003","16.789","0.003","90","","93.663","0.01","90","","4579.3","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H74 N6 O7 -","- C44 H74 N6 O7 -","- C176 H296 N24 O28 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0335","0.0325","","","0.0808","0.0816","","","","","","1.051","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130972","9.8305","0.0013","7.1725","0.0009","18.792","0.003","90","","91.454","0.01","90","","1324.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C62 H56 N4 O2 -","2","1","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.123","0.0926","","","0.2248","0.2568","","","","","","0.997","","","","has coordinates","241295","2020-10-21","18:00:00",""
"4130989","8.6249","0.0017","14.82","0.003","10.971","0.002","90","","95.98","0.03","90","","1394.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.031","0.0296","","","0.0779","0.0788","","","","","","1.074","","","","has coordinates,has disorder","241310","2020-10-21","18:00:00",""
"4131078","11.1383","0.0004","25.3721","0.0009","12.0025","0.0004","90","","116.124","0.002","90","","3045.42","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37.5 H34 Cl N3 O -","- C37.5 H34 Cl N3 O -","- C150 H136 Cl4 N12 O4 -","4","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","1.54178","CuKα","","0.0672","0.0612","","","0.1661","0.1724","","","","","","1.075","","","","has coordinates,has disorder","241381","2020-10-21","18:00:00",""
"4131085","10.7752","0.0006","14.8782","0.0008","13.3651","0.0007","90","","95.51","0.003","90","","2132.7","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H43 Cl F12 N6 O2 S2 -","- C34.5 H43 Cl F12 N6 O2 S2 -","- C69 H86 Cl2 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0683","0.0564","","","0.1488","0.1595","","","","","","1.042","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131086","14.9664","0.0001","23.1875","0.0002","25.2512","0.0002","90","","97.29","","90","","8692.17","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C153 H144 F42 N18 O18 S6 -","- C153 H144 F42 N18 O18 S6 -","- C306 H288 F84 N36 O36 S12 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0828","0.0719","","","0.1651","0.172","","","","","","1.046","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131089","9.5124","0.0006","11.6095","0.0007","10.1757","0.0006","90","","97.068","0.004","90","","1115.21","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 F N2 O3 -","- C23 H33 F N2 O3 -","- C46 H66 F2 N4 O6 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0295","0.0279","","","0.0687","0.07","","","","","","1.043","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131090","10.8045","0.0015","14.937","0.002","13.3271","0.0018","90","","94.461","0.002","90","","2144.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl2 F12 N6 O2 S2 -","- C35 H44 Cl2 F12 N6 O2 S2 -","- C70 H88 Cl4 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0597","0.0522","","","0.1458","0.1518","","","","","","1.054","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131092","14.5322","0.0004","7.4157","0.0002","18.1873","0.0005","90","","102.484","0.002","90","","1913.64","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 F6 N3 O2 -","- C17 H21 F6 N3 O2 -","- C68 H84 F24 N12 O8 -","4","2","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0492","0.0468","","","0.1188","0.1207","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131117","8.3113","0.0003","11.2268","0.0005","9.8191","0.0004","90","","111.642","0.002","90","","851.63","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O P -","- C18 H23 O P -","- C36 H46 O2 P2 -","2","1","","Beaud, Rodolphe; Phipps, Robert J.; Gaunt, Matthew J.","Enantioselective Cu-Catalyzed Arylation of Secondary Phosphine Oxides with Diaryliodonium Salts toward the Synthesis of P-Chiral Phosphines.","Journal of the American Chemical Society","2016","138","40","13183","13186","10.1021/jacs.6b09334","","","0.71073","MoKα","","0.0501","0.0406","","","0.0861","0.093","","","","","","1.061","","","","has coordinates","241406","2020-10-21","18:00:00",""
"4131119","4.5174","0.0002","6.8284","0.0004","15.9328","0.0008","90","","92.4936","0.0017","90","","491.01","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C22 H22 F2 O6 -","2","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0338","0.0326","","","0.0843","0.0857","","","","","","1.038","","","","has coordinates","241409","2020-10-21","18:00:00",""
"4131123","13.6564","0.0002","26.8457","0.0004","24.505","0.0004","90","","90.32","0.001","90","","8983.8","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 F6 Mn N3 O2 -","- C30 H34 F6 Mn N3 O2 -","- C360 H408 F72 Mn12 N36 O24 -","12","6","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","1.54178","CuKα","","0.0646","0.0514","","","0.1223","0.1292","","","","","","0.976","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131125","8.28575","0.00009","5.58198","0.00005","17.4221","0.0002","90","","103.183","0.0012","90","","784.551","0.015","100.1","0.2","100.1","0.2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Chu, Wen-Dao; Zhang, Lei; Zhang, Zhikun; Zhou, Qi; Mo, Fanyang; Zhang, Yan; Wang, Jianbo","Enantioselective Synthesis of Trisubstituted Allenes via Cu(I)-Catalyzed Coupling of Diazoalkanes with Terminal Alkynes.","Journal of the American Chemical Society","2016","138","44","14558","14561","10.1021/jacs.6b09674","","","1.54184","CuKα","","0.0431","0.0429","","","0.1175","0.1178","","","","","","1.041","","","","has coordinates","241413","2020-10-21","18:00:00",""
"4131167","9.336","0.006","5.059","0.003","19.254","0.012","90","","101.116","0.009","90","","892.3","1","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O -","- C20 H20 Br N O -","- C40 H40 Br2 N2 O2 -","2","1","","Wang, Zi-Xuan; Bai, Xiao-Yan; Yao, Han-Chao; Li, Bi-Jie","Synthesis of Amides with Remote Stereocenters by Catalytic Asymmetric γ-Alkynylation of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2016","138","45","14872","14875","10.1021/jacs.6b10415","","","0.71073","MoKα","","0.0684","0.0575","","","0.092","0.0969","","","","","","1.155","","","","has coordinates","241447","2020-10-21","18:00:00",""
"4131188","11.252","0.003","13.5715","0.0018","14.616","0.003","90","","100.154","0.009","90","","2197","0.8","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0267","0.0254","","","0.053","0.0533","","","","","","1.02","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131218","11.1166","0.0006","22.3594","0.0011","15.6267","0.0009","90","","91.739","0.002","90","","3882.4","0.4","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82.15 H62.62 Cl9.53 Ir N2 O5.58 P2 -","- C82.1576 H62.631 Cl9.526 Ir N2 O5.5789 P2 -","- C164.315 H125.262 Cl19.052 Ir2 N4 O11.1578 P4 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0389","0.0351","","","0.0881","0.0897","","","","","","1.016","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131222","12.0233","0.0001","7.5855","0.0001","13.9981","0.0001","90","","96.03","0.001","90","","1269.6","0.02","173.2","0.1","173.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H22 N O2 P -","- C34 H22 N O2 P -","- C68 H44 N2 O4 P2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0627","0.063","","","","","","1.035","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131242","8.96","0.0003","18.1329","0.0006","9.739","0.0003","90","","92.047","0.003","90","","1581.29","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl O2 -","- C16.5 H27 Cl O2 -","- C66 H108 Cl4 O8 -","4","2","","Hu, Pengfei; Snyder, Scott A.","Enantiospecific Total Synthesis of the Highly Strained (-)-Presilphiperfolan-8-ol via a Pd-Catalyzed Tandem Cyclization.","Journal of the American Chemical Society","2017","139","14","5007","5010","10.1021/jacs.7b01454","","","1.54178","CuKα","","0.0817","0.046","","","0.0803","0.0915","","","","","","1.004","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131247","12.5921","0.0003","5.3064","0.0001","22.4242","0.0005","90","","99.002","0.001","90","","1479.9","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","KEP-2-091","KEP-2-091","","- C17 H16 F3 N O -","- C17 H16 F3 N O -","- C68 H64 F12 N4 O4 -","4","2","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes.","Journal of the American Chemical Society","2017","139","16","5684","5687","10.1021/jacs.7b01705","","","1.54178","CuKα","","0.0488","0.039","","","0.0826","0.0872","","","","","","1.028","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131286","7.424","0.0008","32.859","0.004","7.7501","0.0009","90","","103.934","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1548","0.1125","","","0.2623","0.2799","","","","","","1.543","","","","has coordinates,has disorder","241518","2020-10-21","18:00:00",""
"4131290","8.04752","0.00015","8.79412","0.00014","15.1588","0.0003","90","","97.0754","0.0017","90","","1064.63","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 I N2 O2 -","- C25 H23 I N2 O2 -","- C50 H46 I2 N4 O4 -","2","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0359","0.0351","","","0.0904","0.0915","","","","","","1.056","","","","has coordinates","241522","2020-10-21","18:00:00",""
"4131309","17.5938","0.0012","9.2189","0.0006","18.8427","0.0014","90","","96.984","0.003","90","","3033.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","2","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0564","0.0307","","","0.0445","0.0487","","","","","","1.035","","","","has coordinates","287939","2023-12-01","16:52:17",""
"4131321","11.0896","0.0007","20.9802","0.0013","11.1696","0.0007","90","","110.611","0.003","90","","2432.4","0.3","120","","120","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C94 H106 Cl6 F6 N6 Nb2 O6 P6 S2 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated NbIII/Fe0 Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0632","0.06","","0.1597","0.1541","0.1597","","","","","","1.0015","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131359","7.8872","0.0007","6.0338","0.0005","21.8424","0.0019","90","","91.418","0.002","90","","1039.16","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-057","gene767","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C48 H48 O8 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0616","0.0495","","","0.1043","0.1094","","","","","","1.045","","","","has coordinates","241580","2020-10-21","18:00:00",""
"4131362","11.9658","0.001","5.5651","0.0005","13.704","0.0013","90","","96.528","0.003","90","","906.64","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","71452-162","gene965","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0705","0.0588","","","0.1458","0.1545","","","","","","1.067","","","","has coordinates","241583","2020-10-21","18:00:00",""
"4131369","7.8225","0.0008","6.0641","0.0007","20.897","0.002","90","","93.48","0.004","90","","989.45","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-052","gene754","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C46 H42 Cl2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0242","0.0239","","","0.0614","0.0615","","","","","","1.067","","","","has coordinates","241590","2020-10-21","18:00:00",""
"4131371","7.8407","0.0008","5.9578","0.0006","20.722","0.002","90","","94.566","0.002","90","","964.92","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-051","gene755","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C46 H42 F2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0632","0.0516","","","0.1186","0.1254","","","","","","1.038","","","","has coordinates","241592","2020-10-21","18:00:00",""
"4131385","6.1836","0.0003","7.6778","0.0004","19.3378","0.0009","90","","90.454","0.001","90","","918.06","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-055","gene768","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C44 H40 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0439","0.0387","","","0.0922","0.1036","","","","","","1.157","","","","has coordinates","241606","2020-10-21","18:00:00",""
"4131393","7.8618","0.0004","6.0592","0.0003","20.5577","0.0009","90","","95.509","0.002","90","","974.77","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-61","gene781","","- C24 H22 O3 S -","- C24 H22 O3 S -","- C48 H44 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0323","0.0321","","","0.0932","0.0933","","","","","","1.179","","","","has coordinates","241614","2020-10-21","18:00:00",""
"4131426","13.3804","0.0007","8.6034","0.0004","15.1757","0.0007","90","","97.065","0.002","90","","1733.72","0.15","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","VM549-1","","","- C14 H17 Br F3 N O3 S -","- C14 H17 Br F3 N O3 S -","- C56 H68 Br4 F12 N4 O12 S4 -","4","2","","Guisán-Ceinos, Manuel; Martín-Heras, Victor; Tortosa, Mariola","Regio- and Stereospecific Copper-Catalyzed Substitution Reaction of Propargylic Ammonium Salts with Aryl Grignard Reagents.","Journal of the American Chemical Society","2017","139","25","8448","8451","10.1021/jacs.7b05273","","","0.71073","MoKα","","0.0611","0.0426","","","0.1075","0.1205","","","","","","1.053","","","","has coordinates","241632","2020-10-21","18:00:00",""
"4131454","11.072","0.003","10.956","0.003","11.177","0.003","90","","94.804","0.008","90","","1351.1","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H34 B -","- C37 H34 B -","- C74 H68 B2 -","2","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0832","0.0354","","","0.0743","0.0842","","","","","","0.815","","","","has coordinates","241652","2020-10-21","18:00:00",""
"4131459","15.1112","0.0006","9.7018","0.0002","19.4687","0.0006","90","","105.319","0.004","90","","2752.81","0.16","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C116 H128 N8 O16 S4 -","4","2","","Spoehrle, Stéphanie S M; West, Thomas H.; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem Palladium and Isothiourea Relay Catalysis: Enantioselective Synthesis of α-Amino Acid Derivatives via Allylic Amination and [2,3]-Sigmatropic Rearrangement.","Journal of the American Chemical Society","2017","139","34","11895","11902","10.1021/jacs.7b05619","","","1.54187","CuKα","","0.0863","0.0667","","","0.1734","0.1997","","","","","","0.854","","","","has coordinates","241657","2020-10-21","18:00:00",""
"4131487","26.85","0.005","12.056","0.002","36.707","0.007","90","","109.18","0.03","90","","11223","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H76 F6 N14 O7.5 -","- C44 H76 F6 N14 O7.5 -","- C352 H608 F48 N112 O60 -","8","4","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0977","0.0656","","","0.152","0.1689","","","","","","0.966","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131511","13.7541","0.001","16.5763","0.0012","16.6586","0.0012","90","","104.083","0.003","90","","3683.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","rt002","","","- C43 H40 Au Cl N4 -","- C43 H40 Au Cl N4 -","- C172 H160 Au4 Cl4 N16 -","4","2","","Bohan, Patrick T.; Toste, F. Dean","Well-Defined Chiral Gold(III) Complex Catalyzed Direct Enantioconvergent Kinetic Resolution of 1,5-Enynes.","Journal of the American Chemical Society","2017","139","32","11016","11019","10.1021/jacs.7b06025","","","0.71073","MoKα","","0.0125","0.012","","","0.0269","0.027","","","","","","1.022","","","","has coordinates","241702","2020-10-21","18:00:00",""
"4131518","4.252","0.002","10.804","0.005","14.788","0.007","90","","91.184","0.008","90","","679.2","0.6","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0718","0.0646","","","0.1418","0.1485","","","","","","1.083","","","","has coordinates","241708","2020-10-21","18:00:00",""
"4131522","8.194","0.0016","6.073","0.0012","15.178","0.003","90","","104.96","0.03","90","","729.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","GD-19","GD-19","","- C19 H15 N3 -","- C19 H15 N3 -","- C38 H30 N6 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.66","Synchrotron","","0.0818","0.0566","","","0.1853","0.2176","","","","","","1.203","","","","has coordinates","241712","2020-10-21","18:00:00",""
"4131523","6.8","0.0014","11.502","0.002","8.463","0.0017","90","","99.74","0.03","90","","652.4","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","GD-5","GD-5","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.71073","MoKα","","0.0733","0.0628","","","0.1664","0.1726","","","","","","1.153","","","","has coordinates","241713","2020-10-21","18:00:00",""
"4131536","8.187","0.0013","5.4348","0.0008","11.5306","0.0018","90","","98.017","0.003","90","","508.04","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 O S -","- C10 H9 F3 O S -","- C20 H18 F6 O2 S2 -","2","1","","Zhang, Hu; Buchwald, Stephen L.","Palladium-Catalyzed Negishi Coupling of α-CF3 Oxiranyl Zincate: Access to Chiral CF3-Substituted Benzylic Tertiary Alcohols.","Journal of the American Chemical Society","2017","139","33","11590","11594","10.1021/jacs.7b06630","","","0.71073","MoKα","","0.0293","0.0279","","","0.0686","0.0695","","","","","","1.038","","","","has coordinates","241726","2020-10-21","18:00:00",""
"4131576","7.7531","0.0014","6.6125","0.0012","16.284","0.003","90","","94.153","0.003","90","","832.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C38 H32 Br2 N6 O2 -","2","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp3)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0248","0.0231","","","0.057","0.0577","","","","","","1.067","","","","has coordinates","241754","2020-10-21","18:00:00",""
"4131580","11.3973","0.0016","9.3083","0.0013","12.632","0.0017","90","","111.857","0.003","90","","1243.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 F3 I O10 -","- C21 H22 F3 I O10 -","- C42 H44 F6 I2 O20 -","2","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.04","0.0381","","","0.1026","0.1044","","","","","","1.053","","","","has coordinates,has disorder","241757","2020-10-21","18:00:00",""
"4131602","9.40913","0.00014","5.77298","0.00008","15.8083","0.0002","90","","95.2361","0.0015","90","","855.1","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0767","0.0774","","","","","","1.037","","","","has coordinates","241780","2020-10-21","18:00:00",""
"4131603","11.5612","0.0002","6.2572","0.0001","11.9279","0.0002","90","","108.933","0.002","90","","816.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.0985","0.099","","","","","","1.081","","","","has coordinates","241781","2020-10-21","18:00:00",""
"4131620","13.738","0.003","7.521","0.002","8.434","0.002","90","0.03","102.4","0.03","90","0.03","851.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Postphoto_azaindoline","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0941","0.0918","","","0.2629","0.2635","","","","","","1.399","","","","has coordinates","241796","2020-10-21","18:00:00",""
"4131642","8.7035","0.0018","8.1115","0.0019","21.516","0.005","90","","98.492","0.015","90","","1502.3","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 N O9 Si -","- C33 H37 N O9 Si -","- C66 H74 N2 O18 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0325","0.0295","","","0.0682","0.0698","","","","","","1.063","","","","has coordinates","241818","2020-10-21","18:00:00",""
"4131657","7.701","0.0002","5.6589","0.0001","18.674","0.0004","90","","92.703","0.001","90","","812.89","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0711","0.07","","","0.17","0.1723","","","","","","1.069","","","","has coordinates","241831","2020-10-21","18:00:00",""
"4131675","13.443","0.0014","5.8222","0.0006","15.2575","0.0016","90","","101.159","0.002","90","","1171.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0723","0.0527","","","0.1481","0.1674","","","","","","0.981","","","","has coordinates","241848","2020-10-21","18:00:00",""
"4131697","12.5284","0.0006","17.6881","0.001","14.2283","0.0007","90","","113.22","0.002","90","","2897.6","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C53 H100 Al2 N4 Si2 -","- C53 H100 Al2 N4 Si2 -","- C106 H200 Al4 N8 Si4 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0319","0.029","","","0.0712","0.0728","","","","","","1.027","","","","has coordinates,has disorder","241869","2020-10-21","18:00:00",""
"4131711","12.0012","0.0006","6.1504","0.0003","22.4927","0.0011","90","","97.606","0.003","90","","1645.63","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H33 P3 Si3 -","- C36 H33 P3 Si3 -","- C72 H66 P6 Si6 -","2","1","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C6F5)3-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0957","0.0589","","","0.1118","0.1258","","","","","","1.021","","","","has coordinates,has disorder","241880","2020-10-21","18:00:00",""
"4131715","10.8118","0.0005","8.8697","0.0004","11.4025","0.0005","90","","104.619","0.002","90","","1058.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0324","0.0286","","","0.0678","0.0699","","","","","","1.051","","","","has coordinates","241884","2020-10-21","18:00:00",""
"4131716","9.4222","0.0006","7.4529","0.0005","15.4791","0.0012","90","","107.689","0.002","90","","1035.59","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.028","0.0272","","","0.0736","0.0744","","","","","","1.037","","","","has coordinates","241885","2020-10-21","18:00:00",""
"4131718","8.5702","0.0002","10.0842","0.0002","10.0388","0.0002","90","","103.439","0.001","90","","843.83","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0319","0.0304","","","0.0911","0.0938","","","","","","0.85","","","","has coordinates","241887","2020-10-21","18:00:00",""
"4131739","11.9911","0.0009","8.7896","0.0006","12.6256","0.0012","90","","100.063","0.008","90","","1310.23","0.19","169.9","","169.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 Co N4 -","- C27 H30 Br2 Co N4 -","- C54 H60 Br4 Co2 N8 -","2","1","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.71073","MoKα","","0.0721","0.0593","","","0.1322","0.1449","","","","","","1.039","","","","has coordinates","241908","2020-10-21","18:00:00",""
"4131740","10.5943","0.0005","16.009","0.0006","21.0879","0.0011","90","","90.706","0.004","90","","3576.3","0.3","183.1","","183.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Co N4 -","- C38 H46 Cl2 Co N4 -","- C152 H184 Cl8 Co4 N16 -","4","2","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.7107","MoKα","","0.0943","0.054","","","0.0808","0.0972","","","","","","0.993","","","","has coordinates","241909","2020-10-21","18:00:00",""
"4131741","8.5539","0.0006","7.6851","0.0005","10.5736","0.0007","90","","113.779","0.004","90","","636.08","0.08","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0274","0.0272","","","0.0716","0.0717","","","","","","1.084","","","","has coordinates","241910","2020-10-21","18:00:00",""
"4131742","8.7851","0.0006","7.3139","0.0005","10.2839","0.0007","90","","90.77","0.004","90","","660.72","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C28 H38 N2 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0283","0.0268","","","0.0686","0.0694","","","","","","1.081","","","","has coordinates","241911","2020-10-21","18:00:00",""
"4131778","9.2754","0.0003","10.71","0.0004","12.1411","0.0004","90","","101.584","0.002","90","","1181.52","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 B N O5 -","- C24 H34 B N O5 -","- C48 H68 B2 N2 O10 -","2","1","","Lovinger, Gabriel J.; Morken, James P.","Ni-Catalyzed Enantioselective Conjunctive Coupling with C(sp3) Electrophiles: A Radical-Ionic Mechanistic Dichotomy.","Journal of the American Chemical Society","2017","139","48","17293","17296","10.1021/jacs.7b10519","","","1.54178","CuKα","","0.0499","0.0489","","","0.128","0.1291","","","","","","1.018","","","","has coordinates,has disorder","241934","2020-10-21","18:00:00",""
"4131884","6.1913","0.0008","8.7775","0.001","17.654","0.002","90","","96.821","0.006","90","","952.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L.","A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes.","Journal of the American Chemical Society","2018","140","6","2007","2011","10.1021/jacs.7b12271","","","1.54178","CuKα","","0.0359","0.035","","","0.0943","0.0952","","","","","","1.06","","","","has coordinates,has disorder","241978","2020-10-21","18:00:00",""
"4131890","10.9543","0.0002","23.5971","0.0006","20.4838","0.0006","90","","95.962","0.002","90","","5266.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H142 N8 Ni2 O12 -","- C88 H142 N8 Ni2 O12 -","- C176 H284 N16 Ni4 O24 -","2","1","","Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides.","Journal of the American Chemical Society","2018","140","9","3299","3305","10.1021/jacs.7b12486","","x-ray","1.54184","CuKα","","0.0951","0.0699","","","0.1958","0.2174","","","","","","1.061","","","","has coordinates","241981","2020-10-21","18:00:00",""
"4131896","7.3514","0.0002","8.0601","0.0002","21.3723","0.0005","90","","94.7647","0.0013","90","","1262","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H9 N2 S2 -","- C17 H9 N2 S2 -","- C68 H36 N8 S8 -","4","2","","Beldjoudi, Yassine; Nascimento, Mitchell A.; Cho, Yong Joo; Yu, Hyeonghwa; Aziz, Hany; Tonouchi, Daiki; Eguchi, Keitaro; Matsushita, Michio M.; Awaga, Kunio; Osorio-Roman, Igor; Constantinides, Christos P.; Rawson, Jeremy M.","Multifunctional Dithiadiazolyl Radicals: Fluorescence, Electroluminescence, and Photoconducting Behavior in Pyren-1'-yl-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","20","6260","6270","10.1021/jacs.7b12592","","","1.54178","CuKα","","0.0429","0.0385","","","0.1041","0.1068","","","","","","1.074","","","","has coordinates","241987","2020-10-21","18:00:00",""
"4131899","12.1758","0.0003","10.373","0.0003","14.1803","0.0004","90","","112.952","0.001","90","","1649.18","0.08","198","2","198.26","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","2","","Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu","Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone.","Journal of the American Chemical Society","2018","140","9","3177","3180","10.1021/jacs.7b12628","","","1.54178","CuKα","","0.0779","0.0689","","","0.1795","0.1908","","","","","","1.048","","","","has coordinates","241990","2020-10-21","18:00:00",""
"4131918","12.3787","0.0012","19.6198","0.0018","12.7078","0.0012","90","","111.5","0.001","90","","2871.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H108 Ca2 O6 -","- C55 H108 Ca2 O6 -","- C110 H216 Ca4 O12 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0427","0.0398","","","0.1045","0.107","","","","","","1.057","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131999","13.24067","0.00007","7.76255","0.00004","24.8383","0.00013","90","","91.3423","0.0005","90","","2552.21","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O2 -","- C32 H38 O2 -","- C128 H152 O8 -","4","2","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0318","0.0315","","","0.0822","0.0824","","","","","","1.027","","","","has coordinates","242041","2020-10-21","18:00:00",""
"4132000","5.8408","0.0001","16.7324","0.0004","7.8935","0.0002","90","","92.485","0.002","90","","770.71","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0266","0.0265","","","0.0706","0.0715","","","","","","1.069","","","","has coordinates","242043","2020-10-21","18:00:00",""
"4132019","15.7236","0.0003","33.2669","0.0004","27.9753","0.0005","90","","90.4715","0.0015","90","","14632.7","0.4","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79.21 H97.21 Cl0.63 N O15 -","- C79.2108 H97.2108 Cl0.63225 N O15 -","- C633.686 H777.686 Cl5.058 N8 O120 -","8","4","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.0892","0.0717","","","0.1847","0.1989","","","","","","1.014","","","","has coordinates,has disorder","242061","2020-10-21","18:00:00",""
"4132058","12.3598","0.0005","8.1021","0.0003","14.4042","0.0005","90","","104.805","0.004","90","","1394.55","0.09","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0761","0.0485","","","0.1087","0.1232","","","","","","1.011","","","","has coordinates","242100","2020-10-21","18:00:00",""
"4132059","13.46881","0.00019","23.5381","0.0003","14.6728","0.0002","90","","96.9576","0.0013","90","","4617.47","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H55 Cl3 N2 Ni -","- C55 H55 Cl3 N2 Ni -","- C220 H220 Cl12 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.044","0.0392","","","0.1044","0.1085","","","","","","1.03","","","","has coordinates,has disorder","242101","2020-10-21","18:00:00",""
"4132062","12.34517","0.00016","21.7875","0.0003","22.0081","0.0003","90","","98.0106","0.0012","90","","5861.77","0.14","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H65 Cl N2 Ni -","- C71 H65 Cl N2 Ni -","- C284 H260 Cl4 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.055","0.0491","","","0.1261","0.1323","","","","","","1.018","","","","has coordinates","242104","2020-10-21","18:00:00",""
"4132092","10.193","0.0002","7.5099","0.0002","13.7839","0.0002","90","","103.819","0.002","90","","1024.59","0.04","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H19 Br F3 N O2 S2 -","- C19 H19 Br F3 N O2 S2 -","- C38 H38 Br2 F6 N2 O4 S4 -","2","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF3 Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","x-ray","1.54184","CuKα","","0.0622","0.0612","","","0.196","0.1972","","","","","","1.122","","","","has coordinates","242129","2020-10-21","18:00:00",""
"4132095","8.014","0.0004","7.8357","0.0003","19.6573","0.0009","90","","101.737","0.002","90","","1208.58","0.09","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs2AgBiBr6.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0236","0.0224","","","0.0498","0.0503","","","","","","1.079","","","","has coordinates","242136","2020-10-21","18:00:00",""
"4132115","8.3662","0.0004","11.0924","0.0005","8.7666","0.0004","90","","111.045","0.001","90","","759.29","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C30 H40 Br2 N2 O4 -","2","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0201","0.02","","","0.0513","0.0514","","","","","","1.032","","","","has coordinates","242158","2020-10-21","18:00:00",""
"4132125","10.7015","0.0003","22.7815","0.0005","11.3703","0.0003","90","","102.692","0.001","90","","2704.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 B10 O -","- C9 H14 B10 O -","- C72 H112 B80 O8 -","8","4","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.54178","CuKα","","0.1112","0.0846","","","0.2008","0.2223","","","","","","1.017","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132126","9.104","0.003","7.3271","0.0016","11.901","0.003","90","","106.709","0.01","90","","760.3","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","0.71073","MoKα","","0.039","0.0335","","","0.0771","0.0818","","","","","","1.071","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132127","9.1291","0.0005","7.3414","0.0004","11.9192","0.0005","90","","106.522","0.002","90","","765.85","0.07","301","2","300.67","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.34139","GaKα","","0.0616","0.0429","","","0.1121","0.1236","","","","","","1.033","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132152","6.4708","0.0001","20.0417","0.0004","7.2325","0.0002","90","","107.489","0.001","90","","894.6","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Zhang, Hai-Jun; Schuppe, Alexander W.; Pan, Shi-Tao; Chen, Jin-Xiang; Wang, Bo-Ran; Newhouse, Timothy R.; Yin, Liang","Copper-Catalyzed Vinylogous Aerobic Oxidation of Unsaturated Compounds with Air.","Journal of the American Chemical Society","2018","140","15","5300","5310","10.1021/jacs.8b01886","","","1.54178","CuKα","","0.039","0.0386","","","0.1089","0.1093","","","","","","1.066","","","","has coordinates","242195","2020-10-21","18:00:00",""
"4132181","13.7281","0.0005","7.7633","0.0003","15.1716","0.0005","90","","96.176","0.002","90","","1607.53","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 F2 N2 O4 S -","- C16 H16 F2 N2 O4 S -","- C64 H64 F8 N8 O16 S4 -","4","2","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0709","0.0635","","","0.1696","0.1736","","","","","","1.136","","","","has coordinates","242209","2020-10-21","18:00:00",""
"4132182","7.8163","0.0005","9.2956","0.0006","12.4965","0.0008","90","","98.9206","0.001","90","","896.98","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C34 H36 F4 N4 O8 S2 -","2","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0318","0.0301","","","0.0767","0.0778","","","","","","1.043","","","","has coordinates","242210","2020-10-21","18:00:00",""
"4132197","5.264","0.0011","20.199","0.004","11.328","0.002","90","","99.87","0.03","90","","1186.7","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","","0.71073","MoKα","","0.064","0.0628","","","0.1678","0.1693","","","","","","1.057","","","","has coordinates","242223","2020-10-21","18:00:00",""
"4132241","8.57436","0.00015","6.43605","0.00018","13.5714","0.0003","90","","97.6815","0.0017","90","","742.22","0.03","294","2","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Wang, Yin-Xia; Qi, Shao-Long; Luan, Yu-Xin; Han, Xing-Wang; Wang, Shan; Chen, Hao; Ye, Mengchun","Enantioselective Ni-Al Bimetallic Catalyzed exo-Selective C-H Cyclization of Imidazoles with Alkenes.","Journal of the American Chemical Society","2018","140","16","5360","5364","10.1021/jacs.8b02547","","x-ray","1.54184","CuKα","","0.0449","0.0445","","","0.131","0.1316","","","","","","1.077","","","","has coordinates","242242","2020-10-21","18:00:00",""
"4132242","10.8999","0.0009","5.6054","0.0005","13.3076","0.0011","90","","91.6866","0.0014","90","","812.72","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N -","- C19 H24 Cl N -","- C38 H48 Cl2 N2 -","2","1","","Gribble, Jr, Michael W; Guo, Sheng; Buchwald, Stephen L.","Asymmetric Cu-Catalyzed 1,4-Dearomatization of Pyridines and Pyridazines without Preactivation of the Heterocycle or Nucleophile.","Journal of the American Chemical Society","2018","140","15","5057","5060","10.1021/jacs.8b02568","","","0.71073","MoKα","","0.031","0.0291","","","0.0727","0.0741","","","","","","1.039","","","","has coordinates","242243","2020-10-21","18:00:00",""
"4132252","10.815","0.002","9.2369","0.0016","25.431","0.005","90","","101.749","0.003","90","","2487.3","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H50 N O3 P Si2 -","- C64 H50 N O3 P Si2 -","- C128 H100 N2 O6 P2 Si4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0363","0.0325","","","0.0825","0.0871","","","","","","1.018","","","","has coordinates","242248","2020-10-21","18:00:00",""
"4132255","9.059","0.003","9.733","0.003","10.77","0.003","90","","102.591","0.006","90","","926.8","0.5","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 I O2 -","- C21 H25 I O2 -","- C42 H50 I2 O4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0152","","","0.0407","0.0408","","","","","","1.097","","","","has coordinates","242251","2020-10-21","18:00:00",""
"4132265","6.4359","0.0002","25.5852","0.0006","7.0724","0.0002","90","","107.905","0.0012","90","","1108.17","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C48 H76 O10 -","2","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","","0.71073","MoKα","","0.0395","0.0369","","","0.1041","0.1106","","","","","","1.063","","","","has coordinates","242261","2020-10-21","18:00:00",""
"4132278","9.3385","0.0015","9.8454","0.0016","17.075","0.003","90","","98.278","0.003","90","","1553.5","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H35 Br2 N O5 -","- C33 H35 Br2 N O5 -","- C66 H70 Br4 N2 O10 -","2","1","","Mori, Keiji; Isogai, Ryo; Kamei, Yuto; Yamanaka, Masahiro; Akiyama, Takahiko","Chiral Magnesium Bisphosphate-Catalyzed Asymmetric Double C(sp3)-H Bond Functionalization Based on Sequential Hydride Shift/Cyclization Process.","Journal of the American Chemical Society","2018","140","20","6203","6207","10.1021/jacs.8b02761","","","0.71073","MoKα","","0.0645","0.0442","","","0.0838","0.0905","","","","","","0.969","","","","has coordinates","242275","2020-10-21","18:00:00",""
"4132290","11.6237","0.0003","13.4549","0.0004","13.8736","0.0004","90","","104.221","0.001","90","","2103.28","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0443","0.0392","","","0.1147","0.1196","","","","","","0.95","","","","has coordinates","242287","2020-10-21","18:00:00",""
"4132301","9.57","0.0003","9.4056","0.0003","10.632","0.0003","90","","106.84","0.001","90","","915.96","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H12 N6 -","- C21 H12 N6 -","- C42 H24 N12 -","2","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0265","0.0265","","","0.0741","0.0741","","","","","","1.068","","","","has coordinates","242299","2020-10-21","18:00:00",""
"4132320","10.6225","0.0006","5.2027","0.0003","17.6456","0.001","90","","104.888","0.006","90","","942.46","0.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O -","- C12 H12 O -","- C48 H48 O4 -","4","2","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0786","0.0479","","","0.1235","0.1526","","","","","","1.096","","","","has coordinates","242306","2020-10-21","18:00:00",""
"4132343","11.65875","0.00004","27.05947","0.0001","23.62363","0.00009","90","","91.6951","0.0003","90","","7449.51","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H56 B N3 O2 -","- C42 H56 B N3 O2 -","- C336 H448 B8 N24 O16 -","8","4","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0379","0.0373","","","0.0975","0.0979","","","","","","1.039","","","","has coordinates","242327","2020-10-21","18:00:00",""
"4132359","8.7786","0.0008","8.2454","0.0007","10.7228","0.0009","90","","110.205","0.004","90","","728.39","0.11","100","2","99.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C30 H30 Br2 O8 -","2","1","","Lee, Ansoo; Betori, Rick C.; Crane, Erika A.; Scheidt, Karl A.","An Enantioselective Cross-Dehydrogenative Coupling Catalysis Approach to Substituted Tetrahydropyrans.","Journal of the American Chemical Society","2018","140","20","6212","6216","10.1021/jacs.8b03063","","","0.71073","MoKα","","0.0341","0.0268","","","0.0635","0.0662","","","","","","1.037","","","","has coordinates","242343","2020-10-21","18:00:00",""
"4132360","10.8385","0.0014","18.879","0.003","13.905","0.002","90","","91.968","0.003","90","","2843.6","0.7","100","2","100.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H45 F24 N8 P4 S2 -","- C53 H45 F24 N8 P4 S2 -","- C106 H90 F48 N16 P8 S4 -","2","1","","Roy, Indranil; Bobbala, Sharan; Zhou, Jiawang; Nguyen, Minh T.; Nalluri, Siva Krishna Mohan; Wu, Yilei; Ferris, Daniel P.; Scott, Evan Alexander; Wasielewski, Michael R.; Stoddart, J. Fraser","ExTzBox: A Glowing Cyclophane for Live-Cell Imaging.","Journal of the American Chemical Society","2018","140","23","7206","7212","10.1021/jacs.8b03066","","","0.71073","MoKα","","0.1114","0.0892","","","0.2169","0.2429","","","","","","1.075","","","","has coordinates,has disorder","242344","2020-10-21","18:00:00",""
"4132361","9.881","0.011","9.166","0.01","11.04","0.012","90","","110.96","0.02","90","","933.7","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N5 O7 S -","- C16 H25 N5 O7 S -","- C32 H50 N10 O14 S2 -","2","1","","Mailyan, Artur K.; Chen, Joanna L.; Li, Weiwei; Keller, Arturo A.; Sternisha, Shawn M.; Miller, Brian G.; Zakarian, Armen","Short Total Synthesis of [15N5]-Cylindrospermopsins from 15NH4Cl Enables Precise Quantification of Freshwater Cyanobacterial Contamination.","Journal of the American Chemical Society","2018","140","18","6027","6032","10.1021/jacs.8b03071","","","0.71073","MoKα","","0.1197","0.0711","","","0.1595","0.1808","","","","","","1.038","","","","has coordinates","242345","2020-10-21","18:00:00",""
"4132375","10.4618","0.0005","6.6429","0.0003","12.8407","0.0006","90","","112.484","0.002","90","","824.55","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Shen, Peng-Xiang; Hu, Liang; Shao, Qian; Hong, Kai; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp3)-H Arylation of Free Carboxylic Acids.","Journal of the American Chemical Society","2018","140","21","6545","6549","10.1021/jacs.8b03509","","x-ray","1.54178","CuKα","","0.0367","0.0351","","","0.0893","0.0909","","","","","","1.076","","","","has coordinates","242358","2020-10-21","18:00:00",""
"4132379","8.2162","0.0001","18.1432","0.0002","9.8241","0.0001","90","","110.383","0.004","90","","1372.76","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu 1617","","","- C31 H31 Br N Ni O2 P -","- C31 H31 Br N Ni O2 P -","- C62 H62 Br2 N2 Ni2 O4 P2 -","2","1","","Tenneti, Srinivasarao; Biswas, Souvagya; Cox, Glen Adam; Mans, Daniel J.; Lim, Hwan Jung; RajanBabu, T. V.","Broadly Applicable Stereoselective Syntheses of Serrulatane, Amphilectane Diterpenes, and Their Diastereoisomeric Congeners Using Asymmetric Hydrovinylation for Absolute Stereochemical Control.","Journal of the American Chemical Society","2018","140","31","9868","9881","10.1021/jacs.8b03549","","x-ray","0.71073","MoKα","","0.028","0.0237","","","0.0523","0.0538","","","","","","1.029","","","","has coordinates","242362","2020-10-21","18:00:00",""
"4132416","10.3008","0.0004","11.0103","0.0004","11.3288","0.0004","90","","91.595","0.001","90","","1284.36","0.08","302","2","302.26","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0696","0.0501","","","0.1052","0.1134","","","","","","1.052","","","","has coordinates","242404","2020-10-21","18:00:00",""
"4132448","7.0926","0.0003","10.7908","0.0004","20.6337","0.0009","90","","96.016","0.002","90","","1570.5","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H56 O3 Si2 -","- C29 H56 O3 Si2 -","- C58 H112 O6 Si4 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0318","0.0311","","","0.083","0.0838","","","","","","1.127","","","","has coordinates","242430","2020-10-21","18:00:00",""
"4132522","9.8224","0.0003","6.6868","0.0002","17.4224","0.0006","90","","91.738","0.002","90","","1143.78","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N O4 S -","- C25 H33 N O4 S -","- C50 H66 N2 O8 S2 -","2","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0474","0.0414","","","0.0991","0.1021","","","","","","1.043","","","","has coordinates","242492","2020-10-21","18:00:00",""
"4132535","5.88468","0.00005","24.088","0.0002","11.56387","0.00009","90","","92.8518","0.0007","90","","1637.15","0.02","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C78 H84 O18 -","6","3","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","1.54184","CuKα","","0.0253","0.025","","","0.0731","0.0734","","","","","","1.041","","","","has coordinates","242505","2020-10-21","18:00:00",""
"4132536","5.6458","0.0003","26.6994","0.0009","6.107","0.0002","90","","115.687","0.006","90","","829.59","0.07","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C38 H42 N2 O4 S2 -","2","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0382","0.0364","","","0.102","0.103","","","","","","1.067","","","","has coordinates","242506","2020-10-21","18:00:00",""
"4132599","10.9592","0.0017","9.3307","0.0012","16.2386","0.0019","90","","91.805","0.011","90","","1659.7","0.4","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 B N3 O5 -","- C35 H46 B N3 O5 -","- C70 H92 B2 N6 O10 -","2","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0989","0.0574","","","0.1173","0.1361","","","","","","0.989","","","","has coordinates","242545","2020-10-21","18:00:00",""
"4132604","12.9712","0.001","7.0406","0.0005","13.2586","0.0009","90","","102.884","0.005","90","","1180.36","0.15","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17.5 N0.5 O2 -","- C13 H17.25 N0.5 O2 -","- C52 H69 N2 O8 -","4","2","","Kapoor, Mohit; Liu, Daniel; Young, Michael C.","Carbon Dioxide-Mediated C(sp3)-H Arylation of Amine Substrates.","Journal of the American Chemical Society","2018","140","22","6818","6822","10.1021/jacs.8b05061","","","1.54178","CuKα","","0.0429","0.04","","","0.1204","0.1233","","","","","","1.089","","","","has coordinates","242551","2020-10-21","18:00:00",""
"4132632","17.2695","0.0012","8.4949","0.0006","21.739","0.0015","90","","108.14","0.003","90","","3030.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C120 H216 N12 O12 -","6","3","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Correction to ""Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes"".","Journal of the American Chemical Society","2018","140","24","7746","","10.1021/jacs.8b05247","","","1.54178","CuKα","","0.0387","0.0363","","","0.0969","0.0991","","","","","","1.047","","","","has coordinates","242579","2020-10-21","18:00:00",""
"4132693","11.5175","0.0006","12.9029","0.0007","12.3215","0.0006","90","","112.935","0.0017","90","","1686.34","0.15","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl2 F3 N O9 Pd S -","- C31 H32 Cl2 F3 N O9 Pd S -","- C62 H64 Cl4 F6 N2 O18 Pd2 S2 -","2","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0262","0.024","","","0.0498","0.0508","","","","","","1.091","","","","has coordinates","242616","2020-10-21","18:00:00",""
"4132700","7.5582","0.0002","14.1096","0.0005","9.6456","0.0003","90","","107.998","0.003","90","","978.3","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 I N O3 S -","- C19 H20 I N O3 S -","- C38 H40 I2 N2 O6 S2 -","2","1","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","","1.54178","CuKα","","0.0393","0.039","","","0.1022","0.1028","","","","","","1.038","","","","has coordinates","242624","2020-10-21","18:00:00",""
"4132707","15.9151","0.0009","9.0545","0.0005","22.8476","0.0013","90","","91.173","0.003","90","","3291.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H64 Cl2 Hg O20 S2 -","- C53 H64 Cl2 Hg O20 S2 -","- C106 H128 Cl4 Hg2 O40 S4 -","2","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0585","0.0502","","","0.1305","0.1351","","","","","","1.035","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132712","6.1268","0.0002","13.2115","0.0005","14.7663","0.0005","90","","101.86","0.004","90","","1169.73","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp3)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.04","0.0355","","","0.0867","0.0908","","","","","","1.048","","","","has coordinates","242632","2020-10-21","18:00:00",""
"4132721","8.3269","0.0001","7.6893","0.0001","13.8728","0.0001","90","","100.63","0.001","90","","873.005","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0895","0.0897","","","","","","1.081","","","","has coordinates","242642","2020-10-21","18:00:00",""
"4132723","9.9574","0.0007","8.8817","0.0007","10.7882","0.0009","90","","90.883","0.007","90","","953.98","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N O3 -","- C25 H22 F N O3 -","- C50 H44 F2 N2 O6 -","2","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","0.71073","MoKα","","0.0351","0.0331","","","0.0848","0.0859","","","","","","1.045","","","","has coordinates","242644","2020-10-21","18:00:00",""
"4132736","5.53828","0.00006","24.4737","0.0004","8.98955","0.00014","90","","91.211","0.0012","90","","1218.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","2","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0971","0.101","","","","","","1.034","","","","has coordinates","242653","2020-10-21","18:00:00",""
"4132748","8.8222","0.0002","22.4497","0.0005","12.2995","0.0003","90","","90.664","0.002","90","","2435.82","0.1","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 I N O3 -","- C25 H30 I N O3 -","- C100 H120 I4 N4 O12 -","4","2","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1203","0.1209","","","","","","1.128","","","","has coordinates","242661","2020-10-21","18:00:00",""
"4132749","9.2512","0.0019","9.908","0.002","13.364","0.003","90","","93.83","0.03","90","","1222.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 Br N3 O3 -","- C26 H32 Br N3 O3 -","- C52 H64 Br2 N6 O6 -","2","1","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","","0.71073","MoKα","","0.0489","0.0284","","","0.0551","0.0582","","","","","","0.959","","","","has coordinates","242662","2020-10-21","18:00:00",""
"4132780","12.2741","0.0005","19.4126","0.0008","15.5112","0.0006","90","","108.397","0.002","90","","3507","0.2","100","2","100.01","","","","","","","","","8","P 1 21 1","P 2yb","4","","Plate","","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C154 H124 F6 Fe6 Mn2 N24 O16 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH2/OH Motifs Relevant to H2O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0294","0.0256","","","0.0605","0.0617","","","","","","1.023","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132785","8.048","0.0006","5.946","0.0004","34.639","0.003","90","","95.953","0.003","90","","1648.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Cao, Yi-Ming; Lentz, Dieter; Christmann, Mathias","Synthesis of Enantioenriched Bromohydrins via Divergent Reactions of Racemic Intermediates from Anchimeric Oxygen Borrowing.","Journal of the American Chemical Society","2018","140","34","10677","10681","10.1021/jacs.8b06432","","","1.54178","CuKα","","0.029","0.028","","","0.0718","0.0724","","","","","","1.075","","","","has coordinates","242683","2020-10-21","18:00:00",""
"4132791","9.45008","0.00018","14.9417","0.0004","14.5852","0.0003","90","","99.0652","0.0019","90","","2033.71","0.08","111.92","0.15","111.92","0.15","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H59 Cl2 N O9 Si2 W -","- C29 H59 Cl2 N O9 Si2 W -","- C58 H118 Cl4 N2 O18 Si4 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0569","0.0534","","","0.1201","0.1226","","","","","","1.045","","","","has coordinates,has disorder","242689","2020-10-21","18:00:00",""
"4132802","10.66779","0.00016","13.865","0.0002","13.5618","0.0002","90","","94.8127","0.0015","90","","1998.84","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H17 Br O2 -","- C27 H17 Br O2 -","- C108 H68 Br4 O8 -","4","2","","Wen, Wei; Chen, Lei; Luo, Ming-Jing; Zhang, Yan; Chen, Ying-Chun; Ouyang, Qin; Guo, Qi-Xiang","Chiral Aldehyde Catalysis for the Catalytic Asymmetric Activation of Glycine Esters.","Journal of the American Chemical Society","2018","140","30","9774","9780","10.1021/jacs.8b06676","","x-ray","1.54184","CuKα","","0.0675","0.0666","","","0.1735","0.1755","","","","","","1.019","","","","has coordinates","242703","2020-10-21","18:00:00",""
"4132803","9.609","0.0004","8.9512","0.0004","12.4737","0.0005","90","","101.073","0.001","90","","1052.92","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0265","0.0265","","","0.0684","0.0684","","","","","","1.062","","","","has coordinates","242704","2020-10-21","18:00:00",""
"4132865","23.127","0.004","7.4851","0.0012","24.166","0.004","90","","117.648","0.002","90","","3705.7","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.65 H80.68 N9 O12.41 S3 -","- C57.663 H80.698 N9 O12.407 S3 -","- C115.326 H161.396 N18 O24.814 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1471","0.0914","","","0.2259","0.2612","","","","","","1.04","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132868","23.536","0.016","7.566","0.005","23.941","0.017","90","","118.697","0.013","90","","3740","4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52.3 H72.35 N9 O11.81 S3 -","- C52.29 H72.34 N9 O11.81 S3 -","- C104.58 H144.68 N18 O23.62 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1721","0.1524","","","0.3773","0.4011","","","","","","1.524","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132869","23.138","0.003","7.4965","0.0009","24.249","0.003","90","","117.913","0.0019","90","","3716.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.99 H78.1 N9 O12.22 S3 -","- C55.989 H78.094 N9 O12.221 S3 -","- C111.978 H156.188 N18 O24.442 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1178","0.0853","","","0.2315","0.2637","","","","","","1.015","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132870","23.56","0.02","7.427","0.007","24.06","0.02","90","","119.054","0.008","90","","3680","6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.97 H68.53 F2.13 N9 O11.54 S3 -","- C52.02 H68.56 F2.16 N9 O11.54 S3 -","- C104.04 H137.12 F4.32 N18 O23.08 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.186","0.1634","","","0.4232","0.4395","","","","","","1.669","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132871","23.775","0.019","7.455","0.006","24.128","0.019","90","","119.33","0.007","90","","3728","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.86 H67.42 F2.74 N9 O11.46 S3 -","- C51.9 H67.44 F2.76 N9 O11.46 S3 -","- C103.8 H134.88 F5.52 N18 O22.92 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1512","0.1335","","","0.3627","0.3766","","","","","","1.502","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132873","23.156","0.003","7.5003","0.0011","24.257","0.003","90","","117.923","0.002","90","","3722.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.79 H77.78 N9 O12.2 S3 -","- C55.8 H77.8 N9 O12.2 S3 -","- C111.6 H155.6 N18 O24.4 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1187","0.0853","","","0.2285","0.2586","","","","","","1.018","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132877","22.955","0.005","7.4557","0.0016","24.079","0.005","90","","117.366","0.003","90","","3659.8","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.06 H79.76 N9 O12.34 S3 -","- C57.06 H79.76 N9 O12.34 S3 -","- C114.12 H159.52 N18 O24.68 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0996","0.0781","","","0.2126","0.2289","","","","","","1.051","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132879","23.083","0.006","7.4875","0.0019","24.195","0.006","90","","117.476","0.004","90","","3710","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.35 H80.21 N9 O12.37 S3 -","- C57.33 H80.18 N9 O12.37 S3 -","- C114.66 H160.36 N18 O24.74 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1077","0.0774","","","0.2043","0.2313","","","","","","1.013","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132880","23.21","0.007","7.505","0.002","24.29","0.007","90","","118.069","0.006","90","","3733.4","1.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.58 H77.45 N9 O12.18 S3 -","- C55.593 H77.478 N9 O12.177 S3 -","- C111.186 H154.956 N18 O24.354 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.41328","synchrotron","","0.2129","0.1386","","","0.3236","0.3789","","","","","","1.246","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132884","12.2182","0.0011","18.0171","0.0017","12.297","0.0012","90","","92.787","0.002","90","","2703.8","0.4","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C108 H128 B2 Cl8 F8 N4 O8 P4 Rh2 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0565","0.0509","","","0.1217","0.1254","","","","","","1.035","","","","has coordinates","242757","2020-10-21","18:00:00",""
"4132887","9.5365","0.001","9.5132","0.001","12.9888","0.0014","90","","97.298","0.002","90","","1168.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br2 N O3 -","- C25 H27 Br2 N O3 -","- C50 H54 Br4 N2 O6 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0493","0.039","","","0.0904","0.095","","","","","","0.922","","","","has coordinates","242760","2020-10-21","18:00:00",""
"4132889","9.8789","0.0007","16.8273","0.0011","18.6928","0.0012","90","","92.193","0.001","90","","3105.1","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H36 Au Cl N O2 P -","- C36 H36 Au Cl N O2 P -","- C144 H144 Au4 Cl4 N4 O8 P4 -","4","2","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0296","0.0233","","","0.0527","0.0565","","","","","","1.004","","","","has coordinates","242762","2020-10-21","18:00:00",""
"4132893","10.326","0.0005","25.5247","0.0011","11.4411","0.0005","90","","91.155","0.002","90","","3014.9","0.2","100","2","99.9","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.32 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C59.322 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C118.644 H78 Cl11.78 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0738","0.0613","","","0.1365","0.1461","","","","","","1.058","","","","has coordinates,has disorder","242766","2020-10-21","18:00:00",""
"4132894","10.3499","0.0005","25.461","0.0012","11.4211","0.0006","90","","91.403","0.003","90","","3008.8","0.3","100","2","100.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.42 H45.61 Cl3.81 Co2 F6 N6 O12 S2 -","- C59.406 H45.604 Cl3.802 Co2 F6 N6 O12 S2 -","- C118.812 H91.208 Cl7.604 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0572","0.0509","","","0.1131","0.1159","","","","","","1.045","","","","has coordinates,has disorder","242768","2020-10-21","18:00:00",""
"4132896","10.1791","0.0003","25.6037","0.0008","11.4781","0.0004","90","","90.4539","0.0018","90","","2991.36","0.17","100","2","100.34","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H55 Co2 F9 N6 O14 S2 -","- C59 H55 Co2 F9 N6 O14 S2 -","- C118 H110 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0724","0.0634","","","0.1402","0.1467","","","","","","1.108","","","","has coordinates,has disorder","242770","2020-10-21","18:00:00",""
"4132897","10.164","0.0006","25.6088","0.0015","11.4722","0.0007","90","","90.213","0.003","90","","2986.1","0.3","100","2","100.22","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C114 H98 Cl4 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0625","0.0505","","","0.1092","0.117","","","","","","1.03","","","","has coordinates,has disorder","242771","2020-10-21","18:00:00",""
"4132944","21.469","0.0003","17.1974","0.0003","29.1637","0.0004","90","","106.965","0.002","90","","10299","0.3","100.3","0.5","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C364 H262 Br16 Cl16 N6 O34 Rh8 -","2","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0935","0.0813","","","0.2229","0.2353","","","","","","1.079","","","","has coordinates,has disorder","242807","2020-10-21","18:00:00",""
"4133011","11.4673","0.0002","16.6842","0.0003","12.3236","0.0002","90","","110.724","0.001","90","","2205.23","0.07","170","2","170.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H62 B11 N O2 -","- C45 H62 B11 N O2 -","- C90 H124 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0433","0.0425","","","0.1108","0.1119","","","","","","1.053","","","","has coordinates","242864","2020-10-21","18:00:00",""
"4133019","7.1834","0.0001","11.0051","0.0002","21.1383","0.0003","90","","97.142","0.001","90","","1658.1","0.04","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H58 O3 Si -","- C34 H58 O3 Si -","- C68 H116 O6 Si2 -","2","1","","Zhang, Hai-Jun; Yin, Liang","Asymmetric Synthesis of α,β-Unsaturated δ-Lactones through Copper(I)-Catalyzed Direct Vinylogous Aldol Reaction.","Journal of the American Chemical Society","2018","140","38","12270","12279","10.1021/jacs.8b07929","","","1.34139","GaKα","","0.0527","0.0426","","","0.0894","0.0956","","","","","","1.087","","","","has coordinates","242872","2020-10-21","18:00:00",""
"4133026","11.4106","0.0002","26.175","0.0006","13.0678","0.0003","90","","101.516","0.0014","90","","3824.42","0.14","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H122 B4 K2 N6 O17 -","- C64 H122 B4 K2 N6 O17 -","- C128 H244 B8 K4 N12 O34 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.0748","0.0665","","","0.157","0.1633","","","","","","1.006","","","","has coordinates,has disorder","242879","2020-10-21","18:00:00",""
"4133027","10.4493","0.0003","17.1573","0.0005","14.9166","0.0005","90","","106.791","0.0012","90","","2560.25","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H80 B4 K2 N6 O8 -","- C42 H80 B4 K2 N6 O8 -","- C84 H160 B8 K4 N12 O16 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.1015","0.0607","","","0.1216","0.1439","","","","","","1.037","","","","has coordinates","242880","2020-10-21","18:00:00",""
"4133053","9.0808","0.0003","14.9109","0.0004","12.3558","0.0004","90","","106.119","0.002","90","","1607.24","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","1","0.5","","Wang, Kuai; Ding, Zhengtian; Zhou, Zhijun; Kong, Wangqing","Ni-Catalyzed Enantioselective Reductive Diarylation of Activated Alkenes by Domino Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2018","140","39","12364","12368","10.1021/jacs.8b08190","","","1.54184","CuKα","","0.0478","0.0427","","","0.1074","0.1112","","","","","","1.036","","","","has coordinates","242900","2020-10-21","18:00:00",""
"4133094","4.5113","0.0003","17.3791","0.001","15.5995","0.0009","90","","94.788","0.003","90","","1218.77","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.1058","0.0602","","","0.1338","0.1494","","","","","","1.022","","","","has coordinates","242938","2020-10-21","18:00:00",""
"4133114","9.445","0.006","17.635","0.011","12.818","0.009","90","","100.343","0.018","90","","2100","2","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H65 N O2 -","- C48 H65 N O2 -","- C96 H130 N2 O4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0622","0.0449","","","0.1115","0.1227","","","","","","1.049","","","","has coordinates","242954","2020-10-21","18:00:00",""
"4133151","7.9457","0.0004","16.1647","0.0009","37.86","0.002","90","","89.999","0.001","90","","4862.7","0.4","250","2","249.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Br3 N Pb -","- C6 H14 Br3 N Pb -","- C96 H224 Br48 N16 Pb16 -","16","8","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1117","0.05","","","0.1378","0.1639","","","","","","1.101","","","","has coordinates","242986","2020-10-21","18:00:00",""
"4133161","10.496","0.0009","17.3331","0.0014","10.989","0.0009","90","","96.7186","0.0012","90","","1985.5","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H70 Cr N2 O8 Si2 -","- C30 H70 Cr N2 O8 Si2 -","- C60 H140 Cr2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0462","0.0382","","","0.0766","0.081","","","","","","1.016","","","","has coordinates","242997","2020-10-21","18:00:00",""
"4133176","14.1664","0.0003","16.1836","0.0004","14.5015","0.0003","90","","98.339","0.002","90","","3289.51","0.13","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H84 Cu K2 N12 O8 -","- C64 H84 Cu K2 N12 O8 -","- C128 H168 Cu2 K4 N24 O16 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0363","0.0314","","","0.0653","0.0675","","","","","","1.021","","","","has coordinates,has disorder","243012","2020-10-21","18:00:00",""
"4133212","12.1823","0.0003","16.0289","0.0004","13.5075","0.0003","90","","109.227","0.0014","90","","2490.47","0.11","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H60 Br Cl N4 O5 -","- C59 H60 Br Cl N4 O5 -","- C118 H120 Br2 Cl2 N8 O10 -","2","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0405","0.0354","","0.0918","0.089","0.0918","","","","","","1.0051","","","","has coordinates,has disorder","243049","2020-10-21","18:00:00",""
"4133272","7.4991","0.0003","16.1174","0.0006","9.0582","0.0004","90","","96.884","0.004","90","","1086.94","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H23 B F4 N2 O -","- C25 H23 B F4 N2 O -","- C50 H46 B2 F8 N4 O2 -","2","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0369","0.0337","","","0.0858","0.0885","","","","","","1.044","","","","has coordinates","243104","2020-10-21","18:00:00",""
"4133307","11.5281","0.0003","9.2306","0.0002","30.703","0.0007","90","","96.237","0.001","90","","3247.81","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H40 Br N3 O3 -","- C33 H40 Br N3 O3 -","- C132 H160 Br4 N12 O12 -","4","2","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0614","0.0337","","","0.0654","0.0757","","","","","","1.01","","","","has coordinates","243128","2020-10-21","18:00:00",""
"4133308","11.1116","0.0014","10.1824","0.0013","12.4713","0.0016","90","","101.661","0.003","90","","1381.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl N3 O3 -","- C31 H30 Cl N3 O3 -","- C62 H60 Cl2 N6 O6 -","2","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0441","0.0394","","","0.0956","0.0992","","","","","","1.043","","","","has coordinates","243129","2020-10-21","18:00:00",""
"4133321","5.7304","0.0006","8.3275","0.0007","10.4712","0.0008","90","","92.034","0.003","90","","499.37","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O2 S -","- C10 H9 Br O2 S -","- C20 H18 Br2 O4 S2 -","2","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0175","0.0163","","","0.0408","0.0412","","","","","","0.859","","","","has coordinates","243142","2020-10-21","18:00:00",""
"4133389","5.451","0.004","39.24","0.03","7.731","0.006","90","","95.806","0.008","90","","1645","2","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","2","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H+-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.2465","0.1365","","","0.2978","0.3255","","","","","","1.504","","","","has coordinates","243192","2020-10-21","18:00:00",""
"4133404","11.3719","0.0002","19.8321","0.0004","12.1517","0.0002","90","","107.788","0.002","90","","2609.54","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0871","0.0879","","","","","","1.036","","","","has coordinates","243201","2020-10-21","18:00:00",""
"4133406","9.3269","0.0004","18.8579","0.001","9.8275","0.0004","90","","101.531","0.005","90","","1693.63","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 I O3 S -","- C34 H23 I O3 S -","- C68 H46 I2 O6 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0508","0.0371","","","0.0692","0.0752","","","","","","0.978","","","","has coordinates","243203","2020-10-21","18:00:00",""
"4133409","9.1728","0.0004","20.333","0.0007","9.8676","0.0003","90","","100.761","0.004","90","","1808.05","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H32 Cl I O5 S -","- C39 H32 Cl I O5 S -","- C78 H64 Cl2 I2 O10 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0473","0.0373","","","0.0739","0.0794","","","","","","1.056","","","","has coordinates","243206","2020-10-21","18:00:00",""
"4133465","7.3353","0.0002","14.8015","0.0005","11.0786","0.0004","90","","103.001","0.001","90","","1172.01","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0384","0.0341","","","0.0867","0.0899","","","","","","1.043","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133466","9.084","0.0004","6.6655","0.0003","18.9521","0.0008","90","","98.78","0.001","90","","1134.09","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","cis-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","x-ray","0.71073","MoKα","","0.0344","0.0315","","","0.0753","0.0769","","","","","","1.02","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133485","8.9084","0.0004","39.9686","0.0019","13.1196","0.0006","90","","109.252","0.002","90","","4410.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","1","0.5","","Mondal, Sudipta; Jacoby, Guy; Sawaya, Michael R.; Arnon, Zohar A.; Adler-Abramovich, Lihi; Rehak, Pavel; Vuković, Lela; Shimon, Linda J. W.; Král, Petr; Beck, Roy; Gazit, Ehud","Transition of Metastable Cross-α Crystals into Cross-β Fibrils by β-Turn Flipping.","Journal of the American Chemical Society","2019","141","1","363","369","10.1021/jacs.8b10289","","","0.71073","MoKα","","0.0641","0.0532","","","0.1315","0.1391","","","","","","1.053","","","","has coordinates,has disorder","243254","2020-10-21","18:00:00",""
"4133529","7.2267","0.0008","10.4032","0.0012","14.3685","0.0016","90","","96.435","0.002","90","","1073.4","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Br Fe N3 O -","- C23 H24 Br Fe N3 O -","- C46 H48 Br2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","0.71073","MoKα","","0.0287","0.0259","","","0.0597","0.0604","","","","","","1.01","","","","has coordinates","243294","2020-10-21","18:00:00",""
"4133530","7.2168","0.0002","10.3152","0.0003","14.2483","0.0004","90","","95.891","0.002","90","","1055.08","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl Fe N3 O -","- C23 H24 Cl Fe N3 O -","- C46 H48 Cl2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","1.54184","CuKα","","0.053","0.0427","","","0.084","0.0866","","","","","","0.938","","","","has coordinates","243295","2020-10-21","18:00:00",""
"4133538","6.6824","0.0004","6.7915","0.0005","19.0741","0.0011","90","","100.083","0.004","90","","852.28","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","","Zhou, Yuebiao; Shi, Ying; Torker, Sebastian; Hoveyda, Amir H.","SN2″-Selective and Enantioselective Substitution with Unsaturated Organoboron Compounds and Catalyzed by a Sulfonate-Containing NHC-Cu Complex.","Journal of the American Chemical Society","2018","140","48","16842","16854","10.1021/jacs.8b10885","","","1.54178","CuKα","","0.0381","0.0365","","","0.0915","0.0928","","","","","","1.052","","","","has coordinates","243298","2020-10-21","18:00:00",""
"4133545","6.45","0.00012","10.41727","0.00014","14.8501","0.0002","90","","99.2411","0.0017","90","","984.85","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0294","0.0278","","","0.0742","0.0755","","","","","","1.055","","","","has coordinates","243302","2020-10-21","18:00:00",""
"4133548","9.133","0.0004","12.6163","0.0004","10.2204","0.0003","90","","113.676","0.004","90","","1078.52","0.07","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 S -","- C21 H21 Br N2 O4 S -","- C42 H42 Br2 N4 O8 S2 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0518","0.0396","","","0.086","0.093","","","","","","1.066","","","","has coordinates","243305","2020-10-21","18:00:00",""
"4133549","9.3729","0.0006","11.919","0.0013","15.7115","0.0012","90","","90.581","0.007","90","","1755.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","2","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.1206","0.0821","","","0.1994","0.2303","","","","","","1.049","","","","has coordinates","243306","2020-10-21","18:00:00",""
"4133550","10.4672","0.0006","5.745","0.0003","11.4377","0.0007","90","","110.754","0.007","90","","643.16","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C26 H26 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.08","0.0454","","","0.0861","0.0995","","","","","","1.03","","","","has coordinates","243307","2020-10-21","18:00:00",""
"4133551","10.3489","0.0003","6.3912","0.0003","11.1677","0.0004","90","","94.707","0.003","90","","736.16","0.05","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C28 H30 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0825","0.053","","","0.1168","0.1324","","","","","","1.029","","","","has coordinates,has disorder","243308","2020-10-21","18:00:00",""
"4133557","9.009","0.0018","13.671","0.003","11.931","0.002","90","","108.59","0.03","90","","1392.8","0.5","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl2 K N4 Si -","- C29 H34 Cl2 K N4 Si -","- C58 H68 Cl4 K2 N8 Si2 -","2","1","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1427","0.065","","","0.1177","0.1454","","","","","","1.015","","","","has coordinates","243314","2020-10-21","18:00:00",""
"4133605","11.4436","0.0003","22.3224","0.0006","13.7102","0.0004","90","","102.777","0.003","90","","3415.53","0.17","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C90 H116 Al4 Br12 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.12","0.0993","","","0.2472","0.2788","","","","","","1.063","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4133649","7.1967","0.0003","19.2597","0.0004","10.445","0.0004","90","","105.491","0.005","90","","1395.15","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Br Cl N2 O -","- C13 H18 Br Cl N2 O -","- C52 H72 Br4 Cl4 N8 O4 -","4","2","","Kim, Seung Wook; Schwartz, Leyah A.; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Regio- and Enantioselective Iridium-Catalyzed Amination of Racemic Branched Alkyl-Substituted Allylic Acetates with Primary and Secondary Aromatic and Heteroaromatic Amines.","Journal of the American Chemical Society","2019","141","1","671","676","10.1021/jacs.8b12152","","","1.54184","CuKα","","0.0365","0.0359","","","0.0941","0.0948","","","","","","1.065","","","","has coordinates","243386","2020-10-21","18:00:00",""
"4133741","14.3514","0.001","13.1538","0.0009","14.7984","0.001","90","","102.465","0.003","90","","2727.7","0.3","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 B N O3 -","- C13 H20 B N O3 -","- C104 H160 B8 N8 O24 -","8","4","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.0793","0.0567","","","0.131","0.1444","","","","","","1.025","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4133751","9.4175","0.0002","12.3116","0.0002","12.9079","0.0002","90","","96.017","0.002","90","","1488.35","0.05","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H43 Br O4 -","- C35 H43 Br O4 -","- C70 H86 Br2 O8 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.029","0.0264","","","0.0628","0.0637","","","","","","1.013","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133752","6.1346","0.0004","22.0981","0.0011","7.4304","0.0004","90","","111.029","0.007","90","","940.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0432","0.0369","","","0.0879","0.0912","","","","","","1.036","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133759","8.97867","0.00005","20.51133","0.00008","13.55182","0.00006","90","","91.3811","0.0004","90","","2495.04","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 O4.5 P2 -","- C28 H29 O4.5 P2 -","- C112 H116 O18 P8 -","4","2","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0229","0.0226","","","0.0583","0.0584","","","","","","1.024","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133760","16.5166","0.0001","10.2647","0.0001","25.2392","0.0002","90","","103.904","0.001","90","","4153.63","0.06","100.01","0.11","100.01","0.11","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C144 H176 Cl4 N4 O4 P4 Pd2 S4 -","2","1","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0478","0.0464","","","0.1155","0.1166","","","","","","1.085","","","","has coordinates","246548","2020-10-21","18:00:00",""
"4133800","8.17331","0.00019","10.2803","0.0002","13.2668","0.0003","90","","96.454","0.002","90","","1107.67","0.04","160","2","160","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O7 -","- C24 H36 O7 -","- C48 H72 O14 -","2","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","x-ray","1.54184","CuKα","","0.0544","0.0526","","","0.1447","0.1472","","","","","","1.078","","","","has coordinates","245284","2020-10-21","18:00:00",""
"4133826","6.61682","0.0001","16.7208","0.0002","11.20335","0.00016","90","","107.053","0.0015","90","","1185.02","0.03","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 B N2 O4 -","- C25 H33 B N2 O4 -","- C50 H66 B2 N4 O8 -","2","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.0768","0.0782","","","","","","1.047","","","","has coordinates","245524","2020-10-21","18:00:00",""
"4133833","9.9804","0.0003","20.0798","0.0005","12.5191","0.0004","90","","111.909","0.004","90","","2327.69","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Eu N12 O28 Rb -","- C28 H56 Eu N12 O28 Rb -","- C56 H112 Eu2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0436","0.0341","","","0.0675","0.0703","","","","","","0.978","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133835","9.9723","0.0004","20.0722","0.0007","12.5251","0.0005","90","","111.889","0.005","90","","2326.36","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Eu N12 O28 Rb -","- C28 H56 Eu N12 O28 Rb -","- C56 H112 Eu2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0583","0.0391","","","0.0755","0.082","","","","","","0.979","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133836","9.9791","0.0005","20.0918","0.0008","12.5204","0.0006","90","","111.977","0.006","90","","2327.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N12 O28 Rb Sm -","- C28 H56 N12 O28 Rb Sm -","- C56 H112 N24 O56 Rb2 Sm2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0818","0.0514","","","0.1011","0.1122","","","","","","0.961","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133838","9.9703","0.0003","20.0608","0.0005","12.5179","0.0004","90","","111.886","0.004","90","","2323.28","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N12 O28 Rb Tb -","- C28 H56 N12 O28 Rb Tb -","- C56 H112 N24 O56 Rb2 Tb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.034","0.027","","","0.049","0.0503","","","","","","1.025","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133840","9.9623","0.0003","20.0585","0.0005","12.5073","0.0004","90","","111.841","0.004","90","","2319.92","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Dy N12 O28 Rb -","- C28 H56 Dy N12 O28 Rb -","- C56 H112 Dy2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0368","0.0291","","","0.0622","0.0646","","","","","","0.876","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133844","9.94644","0.00016","19.9635","0.0003","12.64102","0.00019","90","","111.967","0.0017","90","","2327.84","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce K N12 O28 -","- C28 H56 Ce K0.984 N12 O28 -","- C56 H112 Ce2 K1.968 N24 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0252","0.0234","","","0.0577","0.0586","","","","","","1","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133846","9.9379","0.0004","19.9511","0.0006","12.6211","0.0005","90","","111.947","0.004","90","","2321.06","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce K N12 O28 -","- C28 H56 Ce K N12 O28 -","- C56 H112 Ce2 K2 N24 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0475","0.0354","","","0.0596","0.0629","","","","","","0.964","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133849","10.0274","0.0004","20.2215","0.0006","12.582","0.0005","90","","112.187","0.005","90","","2362.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H60 Ce N13 O28 -","- C28 H60 Ce N13 O28 -","- C56 H120 Ce2 N26 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.1436","0.1327","","","0.3306","0.3374","","","","","","1.358","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133851","10.0131","0.0005","20.1738","0.001","12.5475","0.0007","90","","112.146","0.006","90","","2347.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H60 Ce N13 O28 -","- C28 H60 Ce N13 O28 -","- C56 H120 Ce2 N26 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0754","0.0469","","","0.1371","0.1685","","","","","","0.614","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133853","10.007","0.0002","20.1662","0.0004","12.5708","0.0003","90","","112.089","0.003","90","","2350.63","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0317","0.0262","","","0.0552","0.0567","","","","","","0.892","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133854","10.0193","0.0005","20.1871","0.0007","12.6227","0.0006","90","","112.07","0.005","90","","2366","0.2","335","2","335","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0733","0.0428","","","0.0825","0.0927","","","","","","1.028","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133856","10.0092","0.0003","20.1665","0.0005","12.5743","0.0003","90","","112.069","0.003","90","","2352.17","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0393","0.0298","","","0.0596","0.0621","","","","","","0.97","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133860","5.0321","0.0001","18.5414","0.0004","11.6101","0.0002","90","","94.44","0.002","90","","1080","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C44 H64 N4 O10 -","2","1","","Fanelli, Rossana; Berta, Dénes; Földes, Tamás; Rosta, Edina; Atkinson, Robert Andrew; Hofmann, Hans-Jörg; Shankland, Kenneth; Cobb, Alexander J. A.","Organocatalytic Access to a cis-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10861","","x-ray","1.54184","CuKα","","0.0383","0.0343","","","0.0828","0.0848","","","","","","1.068","","","","has coordinates","245558","2020-10-21","18:00:00",""
"4133861","6.4204","0.0002","11.9299","0.0004","11.1764","0.0004","90","","95.772","0.003","90","","851.71","0.05","153","5","153","5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O6 -","- C17 H25 N O6 -","- C34 H50 N2 O12 -","2","1","","Fanelli, Rossana; Berta, Dénes; Földes, Tamás; Rosta, Edina; Atkinson, Robert Andrew; Hofmann, Hans-Jörg; Shankland, Kenneth; Cobb, Alexander J. A.","Organocatalytic Access to a cis-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10861","","x-ray","1.54184","CuKα","","0.031","0.0292","","","0.0719","0.0737","","","","","","1.097","","","","has coordinates","245559","2020-10-21","18:00:00",""
"4133872","9.8801","0.0014","11.6963","0.0017","11.5219","0.0017","90","","104.747","0.005","90","","1287.6","0.3","","","99.96","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 I O2 -","- C28 H41 I O2 -","- C56 H82 I2 O4 -","2","1","","Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp","Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12899","","","0.71073","MoKα","","0.0277","0.0226","","","0.0463","0.0485","","","","","","1.0496","","","","has coordinates","246275","2020-10-21","18:00:00",""
"4133874","8.0791","0.0003","9.2458","0.0004","12.7757","0.0005","90","","92.4726","0.0014","90","","953.43","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H46.9 Co2 F12 N8 O6 P2 -","- C30 H46.9 Co2 F12 N8 O6 P2 -","- C30 H46.9 Co2 F12 N8 O6 P2 -","1","0.5","","Fernández, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio","A Unified Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Aminopyridine Cobalt Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06633","","","0.71073","MoKα","","0.0568","0.0383","","","0.0863","0.0941","","","","","","1.058","","","","has coordinates,has disorder","246277","2020-10-21","18:00:00",""
"4133912","10.2772","0.0004","6.1873","0.0002","11.9566","0.0005","90","","113.206","0.004","90","","698.79","0.05","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C28 H38 B2 O8 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0289","0.0286","","","0.0663","0.0664","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133987","12.423","0.0012","8.3502","0.0008","23.217","0.002","90","","91.701","0.005","90","","2407.3","0.4","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O6 -","- C24 H29 F3 N2 O6 -","- C96 H116 F12 N8 O24 -","4","2","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","1.54178","CuKα","","0.0316","0.031","","","0.0794","0.0799","","","","","","1.027","","","","has coordinates","247123","2020-10-21","18:00:00",""
"4134056","8.9865","0.0004","13.2091","0.0006","11.2053","0.0005","90","","103.279","0.0019","90","","1294.55","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H24 Br F2 N O2 -","- C32 H24 Br F2 N O2 -","- C64 H48 Br2 F4 N2 O4 -","2","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0173","0.0168","","","0.0465","0.0467","","","","","","1.061","","","","has coordinates","247290","2020-10-21","18:00:00",""
"4134060","19.081","0.0003","8.25102","0.00013","19.9954","0.0003","90","","98.3391","0.0015","90","","3114.75","0.08","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","4","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0405","0.0362","","","0.0961","0.0998","","","","","","1.016","","","","has coordinates,has disorder","247294","2020-10-21","18:00:00",""
"4134094","13.1005","0.0004","9.2621","0.0002","24.6121","0.0006","90","","91.1697","0.0013","90","","2985.76","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0416","0.04","","","0.106","0.1075","","","","","","1.024","","","","has coordinates,has disorder","247413","2020-10-21","18:00:00",""
"4134095","13.1044","0.0004","9.2541","0.0003","24.6027","0.0007","90","","91.239","0.0014","90","","2982.86","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0433","0.0396","","","0.1008","0.1027","","","","","","1.018","","","","has coordinates,has disorder","247414","2020-10-21","18:00:00",""
"4134151","9.8007","0.0008","15.2538","0.001","18.072","0.0012","90","","90.781","0.003","90","","2701.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H73 N O2 -","- C68 H73 N O2 -","- C136 H146 N2 O4 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH3 through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0592","0.0501","","","0.12","0.1263","","","","","","1.016","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134152","9.9018","0.0003","9.3208","0.0003","10.9888","0.0004","90","","98.357","0.003","90","","1003.42","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.062","0.0503","","","0.1748","0.1867","","","","","","1.271","","","","has coordinates","247999","2020-10-21","18:00:00",""
"4134166","9.9436","0.0003","10.0616","0.0003","33.1823","0.001","90","","94.971","0.001","90","","3307.35","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 B2 N2 O2 -","- C23 H32 B2 N2 O2 -","- C138 H192 B12 N12 O12 -","6","3","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0483","0.0461","","","0.1253","0.1281","","","","","","1.123","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134167","12.8184","0.0005","14.4126","0.0006","13.8468","0.0005","90","","98.915","0.001","90","","2527.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 B3 N4 O2 -","- C28 H31 B3 N4 O2 -","- C112 H124 B12 N16 O8 -","4","2","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0467","0.0464","","","0.1247","0.1251","","","","","","1.038","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134172","6.1082","0.0002","7.4449","0.0002","13.477","0.0005","90","","94.885","0.003","90","","610.64","0.03","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O -","- C17 H16 O -","- C34 H32 O2 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0518","0.0425","","","0.0871","0.0907","","","","","","1.026","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134193","12.7153","0.0003","8.016","0.0002","14.8477","0.0004","90","","105.261","0.002","90","","1460","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 O3 -","- C14 H18 Br2 O3 -","- C56 H72 Br8 O12 -","4","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.042","0.0362","","","0.0774","0.0793","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134196","8.4797","0.0014","9.7632","0.0017","13.361","0.002","90","","101.819","0.007","90","","1082.7","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O5 S2 -","- C23 H23 N O5 S2 -","- C46 H46 N2 O10 S4 -","2","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0431","0.0421","","","0.1074","0.1084","","","","","","1.034","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134197","11.04683","0.00014","9.43212","0.00012","16.266","0.0002","90","","96.9247","0.0012","90","","1682.47","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O9 -","- C37 H45 N O9 -","- C74 H90 N2 O18 -","2","1","","Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.","Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","142","8","4061","4069","10.1021/jacs.0c00335","","","1.54178","CuKα","","0.0352","0.0341","","","0.0905","0.0913","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4134204","7.8292","0.0003","11.0341","0.0004","12.7149","0.0006","90","","100.843","0.001","90","","1078.81","0.08","109","2","109","2","","","","","","","","5","P 1 21 1","P 2yb","4","ARM-PS017","","","- C26 H24 B K O2 -","- C26 H24 B K O2 -","- C52 H48 B2 K2 O4 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0366","0.0312","","","0.0714","0.0746","","","","","","1.04","","","","has coordinates","248325","2020-10-21","18:00:00",""
"4134249","13.112","0.002","36.79","0.007","13.941","0.003","90","","94.675","0.003","90","","6703","2","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C78 H83 N -","- C78 H83 N -","- C312 H332 N4 -","4","2","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1104","0.093","","","0.2301","0.2497","","","","","","1.058","","","","has coordinates,has disorder","248455","2020-10-21","18:00:00",""
"4134263","7.539","0.0001","10.9976","0.0002","15.373","0.0003","90","","97.424","0.001","90","","1263.9","0.04","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","2","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","1.34139","GaKα","","0.0305","0.0304","","","0.0836","0.0838","","","","","","0.975","","","","has coordinates","248500","2020-10-21","18:00:00",""
"4134269","7.854","0.0011","6.7448","0.0009","9.7912","0.0014","90","","113.64","","90","","475.15","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0607","0.0547","","","0.1506","0.1545","","","","","","1.001","","","","has coordinates","248536","2020-10-21","18:00:00",""
"4134270","7.8558","0.0004","6.7422","0.0003","9.7844","0.0005","90","","113.669","0.003","90","","474.64","0.04","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0802","0.0737","","","0.1914","0.1968","","","","","","1.003","","","","has coordinates","248537","2020-10-21","18:00:00",""
"4134308","12.2494","0.0006","14.8757","0.0008","12.9755","0.0007","90","","96.736","0.002","90","","2348.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 Co P2 -","- C24 H40 Co P2 -","- C96 H160 Co4 P8 -","4","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.076","0.0477","","","0.08","0.0888","","","","","","1.062","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134309","13.6609","0.0008","36.865","0.002","16.0767","0.0009","90","","90.141","0.002","90","","8096.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H54 Co O4 P2 -","- C44 H54 Co O4 P2 -","- C352 H432 Co8 O32 P16 -","8","4","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1374","0.0679","","","0.1066","0.1249","","","","","","1.022","","","","has coordinates,has disorder","248657","2020-10-21","18:00:00",""
"4134349","8.618","0.0003","8.9275","0.0003","15.835","0.0005","90","","95.723","0.002","90","","1212.23","0.07","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0781","0.0698","","","0.2005","0.2107","","","","","","1.033","","","","has coordinates","249140","2020-10-21","18:00:00",""
"4134351","8.6328","0.0002","8.9483","0.0002","15.9326","0.0004","90","","95.5588","0.0012","90","","1224.99","0.05","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0631","0.0583","","","0.1523","0.1576","","","","","","1.022","","","","has coordinates","249142","2020-10-21","18:00:00",""
"4134385","19.931","0.002","5.9364","0.0007","27.721","0.003","90","","104.107","0.002","90","","3181","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 N O2 -","- C22 H25 Br2 N O2 -","- C132 H150 Br12 N6 O12 -","6","3","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.0609","0.0586","","","0.1215","0.1223","","","","","","1.196","","","","has coordinates","250079","2020-10-21","18:00:00",""
"4134413","7.0148","0.0012","11.8848","0.0018","12.981","0.002","90","","90.395","0.005","90","","1082.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","2","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp3)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0722","0.052","","","0.1095","0.1182","","","","","","1.043","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134415","9.2918","0.0004","10.4856","0.0004","10.8907","0.0004","90","","94.561","0.001","90","","1057.72","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 O P S2 -","- C20 H31 O P S2 -","- C40 H62 O2 P2 S4 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.0274","0.0265","","","0.0644","0.0651","","","","","","1.035","","","","has coordinates","249400","2020-10-21","18:00:00",""
"4134416","9.6822","0.0002","8.5651","0.0001","10.6603","0.0002","90","","93.474","0.001","90","","882.42","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 O2 P -","- C23 H19 O2 P -","- C46 H38 O4 P2 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0249","0.0248","","","0.0667","0.0668","","","","","","1.031","","","","has coordinates","249401","2020-10-21","18:00:00",""
"4134432","9.5366","0.0007","5.7321","0.0004","14.9406","0.0013","90","","91.557","0.003","90","","816.42","0.11","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa","Enantioselective Total Synthesis of Cotylenin A.","Journal of the American Chemical Society","2020","142","12","5556","5561","10.1021/jacs.0c01774","","","0.71075","MoKα","","","0.038","","","","0.0949","","","","","","1.104","","","","has coordinates","250085","2020-10-21","18:00:00",""
"4134456","9.1923","0.0003","8.9775","0.0002","9.5988","0.0003","90","","90.225","0.003","90","","792.12","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F4 N2 Pd -","- C16 H12 F4 N2 Pd -","- C32 H24 F8 N4 Pd2 -","2","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","0.71073","MoKα","","0.0307","0.0266","","","0.0574","0.0588","","","","","","1.044","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134467","6.2036","0.0009","8.1137","0.0011","15.041","0.003","90","","96.162","0.01","90","","752.7","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0594","0.0415","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134468","8.353","0.0004","5.8263","0.0002","10.678","0.0004","90","","109.178","0.005","90","","490.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl S -","- C11 H9 Cl S -","- C22 H18 Cl2 S2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0489","0.0471","","","0.1216","0.1237","","","","","","1.082","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134529","4.5525","0.0009","7.9999","0.0016","9.5565","0.0019","90","","99.77","0.03","90","","343","0.12","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs F O7 P2 Si -","- Cs F O7 P2 Si -","- Cs2 F2 O14 P4 Si2 -","2","1","","Ding, Qingran; Liu, Xiaomeng; Zhao, Sangen; Wang, Yusong; Li, Yanqiang; Li, Lina; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00060","","","0.71073","MoKα","","0.065","0.0495","","","0.1073","0.1163","","","","","","1.084","","","","has coordinates","249663","2020-10-21","18:00:00",""
"4134573","10.755","0.003","13.715","0.004","11.281","0.003","90","","100.786","0.004","90","","1634.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O5 S -","- C36 H42 N2 O5 S -","- C72 H84 N4 O10 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.055","0.0441","","","0.1248","0.1417","","","","","","1.058","","","","has coordinates","249794","2020-10-21","18:00:00",""
"4134588","12.3859","0.0002","15.1577","0.0003","13.1632","0.0002","90","","103.212","0.0009","90","","2405.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 N3 O7 Os -","- C20 H35 N3 O7 Os -","- C80 H140 N12 O28 Os4 -","4","2","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0329","0.0313","","0.0686","0.0678","0.0686","","","","","","1.026","","","","has coordinates","249879","2020-10-21","18:00:00",""
"4134591","15.2028","0.0003","14.7948","0.0002","20.705","0.0007","90","","104.281","0.003","90","","4513.1","0.2","169.99","0.12","169.99","0.12","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2094","0.1532","","","0.361","0.3859","","","","","","2.102","","","","has coordinates","249920","2020-10-21","18:00:00",""
"4134595","15.2129","0.0004","14.7868","0.0004","20.7684","0.0007","90","","103.878","0.003","90","","4535.5","0.2","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.1559","0.1375","","","0.3298","0.3437","","","","","","2.337","","","","has coordinates","249924","2020-10-21","18:00:00",""
"4134613","9.7669","0.0011","7.0025","0.0005","10.1992","0.0012","90","","112.658","0.014","90","","643.71","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX3 (X = NO2-) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","0.71073","MoKα","","0.0795","0.0541","","","0.1007","0.1131","","","","","","1.001","","","","has coordinates","250404","2020-10-21","18:00:00",""
"4134614","9.9112","0.0002","6.8771","0.0001","10.4391","0.0002","90","","113.921","0.002","90","","650.42","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX3 (X = NO2-) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0342","0.0301","","","0.0669","0.074","","","","","","1.001","","","","has coordinates","250405","2020-10-21","18:00:00",""
"4134615","9.7772","0.0002","7.006","0.0001","10.2094","0.0002","90","","112.707","0.002","90","","645.13","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX3 (X = NO2-) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.027","0.0245","","","0.061","0.0656","","","","","","1.005","","","","has coordinates","250406","2020-10-21","18:00:00",""
"4134616","9.9291","0.0003","6.87","0.0002","10.457","0.0003","90","","114.028","0.004","90","","651.49","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX3 (X = NO2-) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0505","0.0437","","","0.1042","0.1243","","","","","","1.006","","","","has coordinates","250407","2020-10-21","18:00:00",""
"4134665","9.1462","0.0002","7.02845","0.00014","16.4441","0.0004","90","","90.62","0.002","90","","1057.02","0.04","174.99","0.1","174.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","C30H12F4N2","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C60 H24 F8 N4 -","2","1","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","x-ray","1.54184","CuKα","","0.0346","0.0323","","","0.1002","0.1021","","","","","","1.1","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134674","14.4887","0.0002","22.9828","0.0002","21.1268","0.0002","90","","103.175","0.001","90","","6849.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C103 H207 Mo10 N4 Nb2 O42 P -","- C103 H207 Mo10 N4 Nb2 O42 P -","- C206 H414 Mo20 N8 Nb4 O84 P2 -","2","1","","Zhang, Guanyun; Gadot, Eyal; Gan-Or, Gal; Baranov, Mark; Tubul, Tal; Neyman, Alevtina; Li, Mu; Clotet, Anna; Poblet, Josep M.; Yin, Panchao; Weinstock, Ira A.","Self-Assembly and Ionic-Lattice-like Secondary Structure of a Flexible Linear Polymer of Highly Charged Inorganic Building Blocks.","Journal of the American Chemical Society","2020","142","16","7295","7300","10.1021/jacs.0c01486","","","0.71073","MoKα","","0.0666","0.0621","","","0.1503","0.1541","","","","","","1.02","","","","has coordinates,has disorder","251451","2020-10-21","18:00:00",""
"4134712","8.9632","0.0019","8.3819","0.0019","12.045","0.004","90","","107.15","0.03","90","","864.7","0.4","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 F O4 -","- C20 H17 F O4 -","- C40 H34 F2 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0526","0.0473","","","0.1274","0.1334","","","","","","1.061","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134714","11.6485","0.0003","7.7932","0.0002","11.8264","0.0003","90","","115.44","0.001","90","","969.49","0.04","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.038","0.0339","","","0.0917","0.0961","","","","","","1.041","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134717","9.7618","0.0001","10.0699","0.0001","12.2302","0.0001","90","","101.541","0.001","90","","1177.93","0.02","99.8","0.9","99.8","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0272","0.0265","","","0.0671","0.0675","","","","","","1.031","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134723","9.3693","0.0002","9.1331","0.0002","12.3504","0.0002","90","","107.386","0.002","90","","1008.55","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O7 -","- C17 H27 Cl2 N O7 -","- C34 H54 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0278","0.0274","","","0.0743","0.0745","","","","","","1.05","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134793","13.1227","0.001","6.1014","0.0004","14.7877","0.0009","90","","111.106","0.004","90","","1104.58","0.13","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C42 H66 N2 O6 -","2","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0937","0.0524","","","0.1338","0.1633","","","","","","0.99","","","","has coordinates","251144","2020-10-21","18:00:00",""
"4134802","11.1897","0.0002","22.9476","0.0004","11.9706","0.0002","90","","97.33","0.002","90","","3048.65","0.09","169.99","0.13","169.99","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O9 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and i-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0838","0.0771","","","0.2279","0.2382","","","","","","1.032","","","","has coordinates","251219","2020-10-21","18:00:00",""
"4134804","11.23","0.0002","22.991","0.0006","11.992","0.0003","90","","97.123","0.002","90","","3072.31","0.12","170.01","0.12","170.01","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and i-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.086","0.0815","","","0.2363","0.2417","","","","","","1.029","","","","has coordinates","251221","2020-10-21","18:00:00",""
"4134847","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","251314","2020-10-21","18:00:00",""
"4134873","11.3777","0.0002","6.86536","0.0001","11.42344","0.00018","90","","104.831","0.0017","90","","862.58","0.02","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H19 Br Cl F2 N O -","- C17 H19 Br Cl F2 N O -","- C34 H38 Br2 Cl2 F4 N2 O2 -","2","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.0545","0.0531","","","0.1528","0.1551","","","","","","1.168","","","","has coordinates","251379","2020-10-21","18:00:00",""
"4134875","8.5167","0.0002","18.5743","0.0004","13.0021","0.0002","90","","105.163","0.001","90","","1985.22","0.07","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O8 -","- C19 H29 N O8 -","- C76 H116 N4 O32 -","4","2","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","1.54178","CuKα","","0.0255","0.0253","","","0.0683","0.0685","","","","","","1.053","","","","has coordinates","251409","2020-10-21","18:00:00",""
"4134878","9.8361","0.0002","21.0549","0.0004","13.1959","0.0002","90","","97.5578","0.0009","90","","2709.1","0.09","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 B N O4 -","- C30 H32 B N O4 -","- C120 H128 B4 N4 O16 -","4","2","","Li, Xiangyu; Hall, Dennis G.","Stereodivergent Asymmetric Synthesis of α,β-Disubstituted β-Aminoalkylboronic Acid Derivatives via Group-Selective Protodeboronation Enabling Access to the Elusive Anti Isomer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03207","","","1.54178","CuKα","","0.0623","0.059","","","0.1706","0.176","","","","","","1.04","","","","has coordinates,has disorder","251503","2020-10-21","18:00:00",""
"4134881","12.5","0.005","16.911","0.007","15.921","0.007","90","","112.905","0.005","90","","3100","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F6 N3 O4 S2 -","- C8 H13 F6 N3 O4 S2 -","- C64 H104 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.0739","0.0646","","","0.1597","0.1669","","","","","","1.042","","","","has coordinates","251506","2020-10-21","18:00:00",""
"4134882","12.542","0.004","16.952","0.006","15.994","0.005","90","","113.037","0.004","90","","3129.3","1.8","243","2","243","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H12 D F6 N3 O4 S2 -","- C8 H12 D F6 N3 O4 S2 -","- C64 H96 D8 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.1411","0.091","","","0.2375","0.2689","","","","","","0.917","","","","has coordinates","251507","2020-10-21","18:00:00",""
"4134892","16.696","0.004","21.624","0.005","16.696","0.004","90","","120","","90","","5220","2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H112 Fe4 N4 O24 -","- C120 H112 Fe4 N4 O24 -","- C240 H224 Fe8 N8 O48 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2383","0.1765","","","0.3935","0.4497","","","","","","1.285","","","","has coordinates","251763","2020-10-21","18:00:00",""
"4134916","7.0227","0.0003","15.3766","0.0006","15.8486","0.0006","90","","99.589","0.003","90","","1687.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br Cl N3 O -","- C16 H21 Br Cl N3 O -","- C64 H84 Br4 Cl4 N12 O4 -","4","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0668","0.0648","","","0.1692","0.1712","","","","","","1.159","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134942","12.6104","0.0011","20.7558","0.0017","16.9683","0.0014","90","","93.7131","0.0011","90","","4431.9","0.6","88","2","88","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H146 Gd2 K N7 O7 Si10 -","- C58 H146 Gd2 K N7 O7 Si10 -","- C116 H292 Gd4 K2 N14 O14 Si20 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0352","0.0333","","","0.0846","0.0862","","","","","","1.068","","","","has coordinates","251952","2020-10-21","18:00:00",""
"4134963","8.9325","0.0002","10.847","0.0003","10.2984","0.0003","90","","96.103","0.001","90","","992.17","0.05","152","2","152","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C50 H48 O6 -","2","1","","Wang, Huanan; Luo, Hongwen; Zhang, Zhan-Ming; Zheng, Wei-Feng; Yin, Yu; Qian, Hui; Zhang, Junliang; Ma, Shengming","Pd-Catalyzed Enantioselective Syntheses of Trisubstituted Allenes via Coupling of Propargylic Benzoates with Organoboronic Acids.","Journal of the American Chemical Society","2020","142","21","9763","9771","10.1021/jacs.0c02876","","","1.54178","CuKα","","0.0324","0.0321","","","0.0905","0.0909","","","","","","1.113","","","","has coordinates","252614","2020-10-21","18:00:00",""
"4134971","5.7339","0.0006","46.854","0.005","6.9754","0.0007","90","","96.287","0.006","90","","1862.7","0.3","298.08","","298.08","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F9 O2 S -","- C14 H12 Br F9 O2 S -","- C56 H48 Br4 F36 O8 S4 -","4","2","","Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling","Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.","Journal of the American Chemical Society","2020","142","21","9604","9611","10.1021/jacs.0c03708","","","1.54178","CuKα","","0.0857","0.0599","","","0.1517","0.1694","","","","","","1.04","","","","has coordinates,has disorder","252616","2020-10-21","18:00:00",""
"4134984","12.6447","0.0001","17.084","0.0001","13.2667","0.0001","90","","91.894","0.001","90","","2864.33","0.04","123.15","","123.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C92 H124 Al2 Br14 Cu8 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al N-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.0627","0.0635","","","","","","1.0429","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134993","13.835","0.0014","9.9882","0.0007","8.5383","0.0008","90","","104.737","0.011","90","","1141.07","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0934","0.0721","","","0.1923","0.2031","","","","","","1.095","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4135014","6.349","0.0003","8.618","0.0004","13.1236","0.0006","90","","103.89","0.001","90","","697.07","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.029","0.0287","","","0.0733","0.0738","","","","","","1.036","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135016","10.9629","0.0005","9.5777","0.0004","17.0234","0.0008","90","","108.478","0.001","90","","1695.3","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 N4 Ni2 O2 -","- C34 H31 Cl4 N4 Ni2 O2 -","- C68 H62 Cl8 N8 Ni4 O4 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0311","0.0264","","","0.0585","0.0609","","","","","","1.042","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135092","5.1612","0.0003","30.938","0.002","9.7231","0.0006","90","","91.905","0.003","90","","1551.7","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48.67 N O10.33 -","- C30.9999 H48.6664 N O10.3333 -","- C61.9998 H97.3328 N2 O20.6666 -","2","1","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0337","0.0332","","","0.0896","0.0904","","","","","","1.091","","","","has coordinates,has disorder","253484","2020-10-21","18:00:00",""
"4135093","6.4201","0.0002","10.7569","0.0003","19.4267","0.0006","90","","93.2719","0.0016","90","","1339.43","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0322","0.0315","","","0.0854","0.0857","","","","","","1.045","","","","has coordinates","253485","2020-10-21","18:00:00",""
"4135095","6.2063","0.001","8.2335","0.0013","18.476","0.003","90","","98.177","0.009","90","","934.5","0.3","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br Si -","- C20 H23 Br Si -","- C40 H46 Br2 Si2 -","2","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.1007","0.0841","","","0.209","0.2314","","","","","","1.122","","","","has coordinates","253634","2020-10-21","18:00:00",""
"4135102","9.952","0.002","19.926","0.004","10.453","0.002","90","","90.6","0.03","90","","2072.8","0.7","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 Si -","- C23 H21 N O2 Si -","- C92 H84 N4 O8 Si4 -","4","2","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.0912","0.0763","","","0.1955","0.2095","","","","","","1.078","","","","has coordinates","253670","2020-10-21","18:00:00",""
"4135116","10.626","0.011","19.78","0.02","12.823","0.014","90","","99.803","0.011","90","","2656","5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H58 O18 -","- C56 H58 O18 -","- C112 H116 O36 -","2","1","","Fujino, Haruka; Fukuda, Takumi; Nagatomo, Masanori; Inoue, Masayuki","Convergent Total Synthesis of Hikizimycin Enabled by Intermolecular Radical Addition to Aldehyde.","Journal of the American Chemical Society","2020","142","30","13227","13234","10.1021/jacs.0c06354","","","0.71075","MoKα","","0.0927","0.0764","","","0.15","0.1639","","","","","","1.06","","","","has coordinates","257119","2020-10-21","18:00:00",""
"4135129","7.28461","0.00018","8.30644","0.00017","11.231","0.0003","90","","107.116","0.003","90","","649.48","0.03","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0239","0.0239","","","0.0623","0.0624","","","","","","1.057","","","","has coordinates","254794","2020-10-21","18:00:00",""
"4135138","6.93221","0.00011","7.41652","0.00012","13.7616","0.0003","90","","92.0002","0.0016","90","","707.09","0.02","139.9","0.4","139.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.084","0.0847","","","","","","1.047","","","","has coordinates","254803","2020-10-21","18:00:00",""
"4135139","7.4744","0.0003","9.0004","0.0003","9.4211","0.0003","90","","93.445","0.003","90","","632.64","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0357","0.0323","","","0.0803","0.0828","","","","","","1.051","","","","has coordinates","254804","2020-10-21","18:00:00",""
"4135143","9.9804","0.0001","8.616","0.0001","12.822","0.0001","90","","102.111","0.0012","90","","1078.04","0.019","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl F N O -","- C25 H29 Cl F N O -","- C50 H58 Cl2 F2 N2 O2 -","2","1","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0268","0.0265","","0.0706","0.07","0.0706","","","","","","0.9949","","","","has coordinates","254839","2020-10-21","18:00:00",""
"4135206","12.6771","0.0015","5.6603","0.0007","13.2825","0.0015","90","","112.322","0.0018","90","","881.68","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Br F2 N4 O2 -","- C18 H15 Br F2 N4 O2 -","- C36 H30 Br2 F4 N8 O4 -","2","1","","Levin, Mark D.; Ovian, John M.; Read, Jacquelyne A.; Sigman, Matthew S.; Jacobsen, Eric N.","Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.","Journal of the American Chemical Society","2020","142","35","14831","14837","10.1021/jacs.0c07043","","","0.71073","MoKα","","0.0683","0.0505","","","0.1106","0.1193","","","","","","1.026","","","","has coordinates","255869","2020-10-21","18:00:00",""
"4135207","13.6391","0.0006","7.6769","0.0003","18.8407","0.0008","90","","106.859","0.002","90","","1887.95","0.14","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H13 Br N2 O6 -","- C19 H13 Br N2 O6 -","- C76 H52 Br4 N8 O24 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.0851","0.0516","","","0.1522","0.1715","","","","","","1.026","","","","has coordinates","255665","2020-10-21","18:00:00",""
"4135208","10.5663","0.0007","12.6322","0.0008","22.8317","0.0014","90","","92.385","0.003","90","","3044.8","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H33 Cu I N2 O2 P -","- C30 H33 Cu I N2 O2 P -","- C120 H132 Cu4 I4 N8 O8 P4 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.1044","0.089","","","0.251","0.2673","","","","","","1.022","","","","has coordinates","255666","2020-10-21","18:00:00",""
"4135213","9.176","0.0002","9.948","0.0002","15.9081","0.0003","90","","99.787","0.001","90","","1431","0.05","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H49 N O3 S Si -","- C25 H49 N O3 S Si -","- C50 H98 N2 O6 S2 Si2 -","2","1","","Nicolaou, K. C.; Krieger, Johannes; Murhade, Ganesh M.; Subramanian, Parthasarathi; Dherange, Balu D.; Vourloumis, Dionisios; Munneke, Stefan; Lin, Baiwei; Gu, Christine; Sarvaiaya, Hetal; Sandoval, Joseph; Zhang, Zhaomei; Aujay, Monette; Purcell, James W.; Gavrilyuk, Julia","Streamlined Symmetrical Total Synthesis of Disorazole B1 and Design, Synthesis, and Biological Investigation of Disorazole Analogues","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07094","","x-ray","1.54178","CuKα","","0.0233","0.0229","","","0.0596","0.06","","","","","","1.038","","","","has coordinates,has disorder","255697","2020-10-21","18:00:00",""
"4135257","10.0127","0.0003","11.0765","0.0004","10.3165","0.0004","90","","91.013","0.002","90","","1143.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 B O3 -","- C26 H33 B O3 -","- C52 H66 B2 O6 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0528","0.0417","","","0.0813","0.0868","","","","","","1.015","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135272","11.9642","0.0002","26.3927","0.0004","21.6924","0.0003","90","","90.1923","0.0007","90","","6849.72","0.18","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0713","0.0634","","","0.1692","0.1764","","","","","","1.039","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135273","11.9689","0.0002","26.3969","0.0005","21.6869","0.0004","90","","90.193","0.001","90","","6851.8","0.2","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0737","0.0686","","","0.1877","0.1921","","","","","","1.027","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135279","10.8332","0.0004","15.6637","0.0006","43.2298","0.0016","90","","92.527","0.002","90","","7328.4","0.5","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H32 N4 O -","- C52 H32 N4 O -","- C416 H256 N32 O8 -","8","4","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0982","0.0945","","","0.2557","0.2579","","","","","","1.074","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135281","7.7185","0.0002","19.1801","0.0006","8.914","0.0003","90","","97.217","0.001","90","","1309.19","0.07","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C62 H52 N4 O10 -","2","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0287","0.0287","","","0.0731","0.0732","","","","","","1.064","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135312","10.7685","0.0006","5.8871","0.0003","16.4455","0.0009","90","","98.501","0.004","90","","1031.11","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.1062","0.0713","","","0.167","0.1896","","","","","","1.018","","","","has coordinates","258627","2020-10-29","23:45:43",""
"4135316","9.3925","0.0007","22.0153","0.0017","9.7818","0.0007","90","","91.787","0.002","90","","2021.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0303","0.0303","","","0.0793","0.0794","","","","","","1.027","","","","has coordinates","258631","2020-10-29","23:47:18",""
"4135329","14.509","0.002","18.34","0.003","15.539","0.003","90","","96.485","0.002","90","","4108.4","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H63 Ir O3 P2 Si3 -","- C34 H63 Ir O3 P2 Si3 -","- C136 H252 Ir4 O12 P8 Si12 -","4","2","","Esteruelas, Miguel A.; Martínez, Antonio; Oliván, Montserrat; Oñate, Enrique","Kinetic Analysis and Sequencing of Si-H and C-H Bond Activation Reactions: Direct Silylation of Arenes Catalyzed by an Iridium-Polyhydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07578","","","0.71073","MoKα","","0.1413","0.0577","","","0.0985","0.1242","","","","","","0.997","","","","has coordinates,has disorder","258668","2020-11-01","00:01:09",""
"4135330","11.8183","0.0005","4.94497","0.00016","14.9662","0.0006","90","","110.509","0.005","90","","819.2","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O2 -","- C16 H22 Br N O2 -","- C32 H44 Br2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp3)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0458","0.0424","","","0.1063","0.1095","","","","","","1.063","","","","has coordinates","258669","2020-11-01","00:04:13",""
"4135331","11.705","0.0006","5.1203","0.0002","15.0401","0.0007","90","","112.529","0.005","90","","832.61","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C38 H40 Cl2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp3)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0408","0.0403","","","0.1053","0.1059","","","","","","1.065","","","","has coordinates","258670","2020-11-01","00:07:24",""
"4135350","8.8938","0.0003","5.9958","0.0002","9.519","0.0003","90","","94.883","0.001","90","","505.76","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N -","- C11 H14 Br N -","- C22 H28 Br2 N2 -","2","1","","Yan, Xingchen; Ge, Luo; Castiñeira Reis, Marta; Harutyunyan, Syuzanna R.","Nucleophilic Dearomatization of N-Heteroaromatics Enabled by Lewis Acids and Copper Catalysis.","Journal of the American Chemical Society","2020","142","47","20247","20256","10.1021/jacs.0c09974","","","1.54178","CuKα","","0.0176","0.0174","","","0.042","0.0421","","","","","","1.076","","","","has coordinates","259518","2020-12-04","02:20:24",""
"4135366","10.6291","0.0003","31.7456","0.0008","11.4376","0.0003","90","","92.961","0.001","90","","3854.2","0.18","193","","193.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Cl N2 O4 P2 Pd -","- C40 H41 Cl N2 O4 P2 Pd -","- C160 H164 Cl4 N8 O16 P8 Pd4 -","4","2","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","0.71073","MoKα","","0.0357","0.032","","","0.0962","0.1021","","","","","","0.808","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135392","18.9534","0.0009","8.4688","0.0004","21.9113","0.0011","90","","107.14","0.0018","90","","3360.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 N3 O P2 -","- C40 H37 N3 O P2 -","- C160 H148 N12 O4 P8 -","4","2","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.1159","0.0942","","","0.2307","0.2543","","","","","","1.071","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135425","9.6576","0.0009","16.5515","0.0015","10.2287","0.001","90","","109.901","0.003","90","","1537.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H24 F3 N O3 S -","- C38 H24 F3 N O3 S -","- C76 H48 F6 N2 O6 S2 -","2","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","0.71073","MoKα","","0.0875","0.0621","","","0.1519","0.1736","","","","","","1.054","","","","has coordinates,has disorder","260152","2020-12-25","23:33:42",""
"4135456","7.4768","0.0002","8.769","0.0002","14.5437","0.0003","90","","97.775","0.002","90","","944.78","0.04","133.15","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 I N2 O -","- C22 H21 I N2 O -","- C44 H42 I2 N4 O2 -","2","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.026","0.0254","","","0.0642","0.0652","","","","","","1.056","","","","has coordinates","260303","2021-01-01","00:07:02",""
"4135500","8.8548","0.0007","27.5888","0.0019","9.0559","0.0007","90","","115.112","0.005","90","","2003.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H42 I N3 Ni O2 -","- C50 H42 I N3 Ni O2 -","- C100 H84 I2 N6 Ni2 O4 -","2","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54178","CuKα","","0.0619","0.0477","","","0.0964","0.101","","","","","","0.973","","","","has coordinates","261500","2021-02-04","03:30:42",""
"4135502","15.9739","0.0011","10.4011","0.0008","18.7687","0.0015","90","","111.217","0.004","90","","2907","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H81 N6 Ni O2 -","- C71 H81 N6 Ni O2 -","- C142 H162 N12 Ni2 O4 -","2","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54178","CuKα","","0.0502","0.0472","","","0.1235","0.1254","","","","","","1.024","","","","has coordinates","261500","2021-02-04","03:30:42",""
"4135513","6.0177","0.0003","12.0789","0.0005","9.9796","0.0004","90","","90.145","0.004","90","","725.39","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0694","0.0679","","","0.1764","0.1774","","","","","","1.074","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135514","6.0691","0.0004","12.1645","0.0006","10.0438","0.0005","90","","90.154","0.005","90","","741.51","0.07","448","2","448","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0963","0.0823","","","0.2139","0.2206","","","","","","1.017","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135552","7.3854","0.0001","5.8539","0.0001","17.0708","0.0002","90","","93.674","0.001","90","","736.512","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O -","- C18 H17 Br O -","- C36 H34 Br2 O2 -","2","1","","Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi","A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c09504","","x-ray","1.54184","CuKα","","0.0342","0.0338","","","0.089","0.0892","","","","","","1.13","","","","has coordinates","261276","2021-01-27","23:50:10",""
"4135556","10.38073","0.00007","6.43018","0.00005","12.80016","0.0001","90","","105.967","0.0007","90","","821.448","0.011","291.15","","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O3 -","- C19 H16 F N O3 -","- C38 H32 F2 N2 O6 -","2","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0358","0.0351","","","0.0995","0.1003","","","","","","1.044","","","","has coordinates","261435","2021-02-04","00:28:34",""
"4135591","9.1922","0.0001","11.2207","0.0001","11.7369","0.0001","90","","100.28","0.001","90","","1191.15","0.02","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O8 Si -","- C23 H33 O8 Si -","- C46 H66 O16 Si2 -","2","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0304","0.0294","","","0.081","0.0818","","","","","","1.084","","","","has coordinates","261465","2021-02-04","00:46:30",""
"4135592","10.7097","0.0003","9.3455","0.0003","14.909","0.0004","90","","90.187","0.002","90","","1492.2","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O11 Si -","- C28 H48 O11 Si -","- C56 H96 O22 Si2 -","2","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0493","0.0429","","","0.1067","0.1108","","","","","","1.062","","","","has coordinates","261466","2021-02-04","00:46:54",""
"4300066","6.534","0.001","10.801","0.001","9.631","0.002","90","","105.57","0.02","90","","654.75","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Al Cl2 N -","- C12 H12 Al Cl2 N -","- C24 H24 Al2 Cl4 N2 -","2","1","","Gregory S. Hair; Scott L. Battle; Andreas Decken; Alan H. Cowley; Richard A. Jones","Synthesis and Characterization of 8-(Dimethylamino)-1-naphthyl Derivatives of Aluminum, Gallium, and Indium","Inorganic Chemistry","2000","39","","27","31","10.1021/ic990707q","","","0.71073","MoKα","","0.0627","0.0453","","0.1142","0.1011","","","","1.069","1.096","1.096","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300067","6.552","0.002","10.833","0.002","9.601","0.002","90","","106.05","0.02","90","","654.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl2 Ga N -","- C12 H12 Cl2 Ga N -","- C24 H24 Cl4 Ga2 N2 -","2","1","","Gregory S. Hair; Scott L. Battle; Andreas Decken; Alan H. Cowley; Richard A. Jones","Synthesis and Characterization of 8-(Dimethylamino)-1-naphthyl Derivatives of Aluminum, Gallium, and Indium","Inorganic Chemistry","2000","39","","27","31","10.1021/ic990707q","","","0.71073","MoKα","","0.0724","0.0609","","0.1535","0.1362","","","","1.106","1.135","1.135","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300110","10.314","0.009","25.82","0.016","12.191","0.011","90","","103.405","0.01","90","","3158","4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H50 Cl6 F12 N8 O2 P2 Ru -","- C54 H50 Cl6 F12 N8 O2 P2 Ru -","- C108 H100 Cl12 F24 N16 O4 P4 Ru2 -","2","1","","Dusan Hesek; Yoshihisa Inoue; Simon R. L. Everitt; Hitoshi Ishida; Mieko Kunieda; Michael G. B. Drew","Novel Synthetic Routes to Several New, Differentially Substituted Ruthenium Tris(4,4'-disubstituted-2,2-bipyridine) Complexes","Inorganic Chemistry","2000","39","","308","316","10.1021/ic990840i","","","0.71073","MoKα","","0.1092","0.0627","","","0.1696","0.2007","","","","","","0.982","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300247","10.963","0.003","10.117","0.002","13.323","0.004","90","","90.05","0.02","90","","1477.7","0.7","213","2","213","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","1,1,2,2-bis(cyclohexylamine)-bis(trimethylphosphine)-tetrachloro- -di-molybdenum (II, II)","","- C18 H44 Cl4 Mo2 N2 P2 -","- C18 H44 Cl4 Mo2 N2 P2 -","- C36 H88 Cl8 Mo4 N4 P4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 6. Stepwise Substitution of Amines by Tertiary Phosphines and Vice Versa: Stereochemical Hysteresis","Inorganic Chemistry","2000","39","","609","616","10.1021/ic9913684","","","0.71073","MoKα","","0.0381","0.0358","","0.094","0.0909","","","","1.096","1.08","1.08","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300404","7.8108","0.0013","14.487","0.003","11.835","0.002","90","","103.095","0.003","90","","1304.3","0.4","148","2","148","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Cd2 Cl4 N2 S4 -","- C18 H26 Cd2 Cl4 N2 S4 -","- C36 H52 Cd4 Cl8 N4 S8 -","2","1","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300524","12.3419","0.0002","25.9815","0.0004","12.4508","0.0002","90","","111.332","0.0007","90","","3718.94","0.1","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C77 H78 As2 Cl2 Cu2 N8 O12 -","- C77 H78 As2 Cl2 Cu2 N8 O12 -","- C154 H156 As4 Cl4 Cu4 N16 O24 -","2","1","","Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild","Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases","Inorganic Chemistry","2006","","","","","10.1021/ic051478c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300536","5.173","0.001","5.754","0.001","7.927","0.001","90","","99","0.02","90","","233.05","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 B F4 N -","- C2 H2 B F4 N -","- C4 H4 B2 F8 N2 -","2","1","","Halfen, Jason; Phillips, James","Gas-Solid Structure Differences in Haloacetonitrile-BF3...","Inorganic Chemistry","2006","","","","","10.1021/ic051491x","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300697","10.431","0.002","28.455","0.006","25.414","0.005","90","","92.84","0.03","90","","7534","3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H26 F6 Hg N3 P S3 -","- C19 H26 F6 Hg N3 P S3 -","- C228 H312 F72 Hg12 N36 P12 S36 -","12","6","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300766","9.1855","0.001","18.1984","0.001","16.6431","0.001","90","","95.942","0.01","90","","2767.1","0.4","240","2","240","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H56 Cu2 La N18 O8 -","- C17 H15 Cu2 La N9 O4 -","- C68 H60 Cu8 La4 N36 O16 -","4","2","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300767","9.1009","0.001","18.0238","0.001","16.3487","0.001","90","","95.878","0.01","90","","2667.6","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H56 Cu4 Gd2 N18 O8 -","- C33.94 H29 Cu4 Gd2 N18 O8 -","- C67.88 H58 Cu8 Gd4 N36 O16 -","2","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300768","9.0351","0.001","17.9369","0.001","16.3204","0.001","90","","95.168","0.01","90","","2634.2","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H28 Cu2 Er N9 O4 -","- C17 H18.5 Cu2 Er N9 O4 -","- C68 H74 Cu8 Er4 N36 O16 -","4","2","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300809","13.1961","0.0004","10.3787","0.0002","13.3755","0.0004","90","","101.723","0.001","90","","1793.68","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PtCl2(NHC(Et)ON(CH2C6H4Cl)2)2","","","- C34 H36 Cl6 N4 O2 Pt -","- C34 H36 Cl6 N4 O2 Pt -","- C68 H72 Cl12 N8 O4 Pt2 -","2","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.0212","0.0195","","","0.0457","0.0464","","","","","","1.047","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300854","12.982","0.005","5.977","0.002","15.786","0.007","90","","105.098","0.006","90","","1182.6","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","2","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","0.71073","MoKα","","0.1214","0.0789","","","0.129","0.1457","","","","","","0.855","","","","has coordinates","210279","2020-10-21","18:00:00",""
"4300998","8.6406","0.0012","16.578","0.002","10.1643","0.0014","90","","96.79","0.03","90","","1445.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[tris(acetylacetonate)(4,4' dimethoxy-2,2'-bipyridine) erbium(III)]","","- C27 H36 Er N2 O8 -","- C27 H36 Er N2 O8 -","- C54 H72 Er2 N4 O16 -","2","1","","Anna Bellusci; Giovanna Barberio; Alessandra Crispini; Mauro Ghedini; Massimo La Deda; Daniela Pucci","Synthesis and Luminescent Properties of Novel Lanthanide(III) β-Diketone Complexes with Nitrogen p,p'-Disubstituted Aromatic Ligands","Inorganic Chemistry","2005","44","","1818","1825","10.1021/ic048951r","","","0.71073","MoKα","","0.0316","0.0269","","","0.0734","0.0797","","","","","","1.15","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4301170","9.213","0.001","10.906","0.001","11.792","0.001","90","","106.73","0.01","90","","1134.7","0.2","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","[TcOCl(Et2NC(S)NC(Ph)NNC(S)N(CH2)6)]","","","- C19 H27 Cl N5 O S2 Tc -","- C19 H27 Cl N5 O S2 Tc -","- C38 H54 Cl2 N10 O2 S4 Tc2 -","2","1","","Hung Huy Nguyen; Pedro I. da S. Maia; Victor M. Deflon; Ulrich Abram","Oxotechnetium(V) Complexes with a Novel Class of Tridentate Thiosemicarbazide Ligands","Inorganic Chemistry","2009","48","","25","27","10.1021/ic802044r","","","0.71073","MoKα","","0.0525","0.0463","","","0.13","0.1583","","","","","","1.108","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00",""
"4301183","9.704","0.004","10.838","0.011","14.659","0.011","90","","91.28","0.05","90","","1541","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 Si2 -","- C32 H38 N2 Si2 -","- C64 H76 N4 Si4 -","2","1","","Daniel Fortin; Sébastien Clément; Karl Gagnon; Jean-François Bérubé; Michael P. Stewart; William E. Geiger; Pierre D. Harvey","Conjugated Organometallic Polymer Containing a Redox-Active Center","Inorganic Chemistry","2009","48","","446","454","10.1021/ic800857v","","","1.54176","CuKα","","0.1328","0.0913","","","0.2343","0.2675","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301201","12.5831","0.0006","13.6522","0.001","13.7334","0.0008","90","","107.936","0.003","90","","2244.6","0.2","150","1","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H47 B2 F8 Fe N5 P2 -","- C46 H47 B2 F8 Fe N5 P2 -","- C92 H94 B4 F16 Fe2 N10 P4 -","2","1","","Christine Sui-Seng; F. Nipa Haque; Alen Hadzovic; Anna-Maria Pütz; Valerie Reuss; Nils Meyer; Alan J. Lough; Marco Zimmer-De Iuliis; Robert H. Morris","Synthesis and Characterization of Iron(II) Complexes with Tetradentate Diiminodiphosphine or Diaminodiphosphine Ligands as Precatalysts for the Hydrogenation of Acetophenone","Inorganic Chemistry","2009","48","","735","743","10.1021/ic801518h","","","0.71073","MoKα","","0.1188","0.0552","","","0.0973","0.1203","","","","","","0.985","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301271","10.5411","0.001","20.8825","0.0018","10.63","0.001","90","","96.874","0.001","90","","2323.1","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H33 B18 Co N2 -","- C10 H33 B18 Co N2 -","- C40 H132 B72 Co4 N8 -","4","2","","Mark Nieuwenhuyzen; Kenneth R. Seddon; Francesc Teixidor; Alberto V. Puga; Clara Viñas","Ionic Liquids Containing Boron Cluster Anions","Inorganic Chemistry","2009","48","","889","901","10.1021/ic801448w","","","0.71073","MoKα","","0.0539","0.0448","","","0.1104","0.114","","","","","","0.998","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301397","7.955","0.0014","11.154","0.0019","12.618","0.002","90","","97.897","0.003","90","","1109","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H25 Fe N7 Na2 O9 -","- C10 H25 Fe N7 Na2 O9 -","- C20 H50 Fe2 N14 Na4 O18 -","2","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; James Raftery; Rachel Shaw; Catherine A. Swanson; Inge Asselberghs; Koen Clays; Bruce S. Brunschwig; Anthony G. Fitch","Nonlinear Optical and Related Properties of Iron(II) Pentacyanide Complexes with Quaternary Nitrogen Electron Acceptor Units","Inorganic Chemistry","2009","48","","1370","1379","10.1021/ic801224u","","","0.71073","MoKα","","0.0632","0.0423","","","0.0614","0.0659","","","","","","0.763","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301401","17.2057","0.0015","9.9089","0.0009","19.4765","0.0017","90","","98.3707","0.0019","90","","3285.2","0.5","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","{[C60(CH2N(CH3)CH2)]AgNO3}.0.25CH3OH","","","- C63.25 H8 Ag N2 O3.25 -","- C63.25 H8 Ag N2 O3.25 -","- C253 H32 Ag4 N8 O13 -","4","2","","Christopher J. Chancellor; Marilyn M. Olmstead; Alan L. Balch","Formation of Crystalline Polymers from the Reaction of Amine-Functionalized C60 with Silver Salts","Inorganic Chemistry","2009","48","","1339","1345","10.1021/ic8012427","","","0.71073","MoKα","","0.1214","0.0647","","","0.1183","0.1369","","","","","","1.043","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301405","9.783","0.001","18.779","0.002","14.044","0.002","90","","104.775","0.002","90","","2494.8","0.5","100","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Tetrachloro-1κ,2κ,3κ,4κ-μ(1,2-Bis(1,3-di-tert-butyl-4- tert-butylamino[1,3,2,4]diazadiphosphetidin-2-oxy)ethane-1κ P:2κP':3κP"":4κP'"")tetragold(I)","","- C53 H122 Au8 Cl10 N12 O4 P8 -","- C53 H122 Au8 Cl10 N12 O4 P8 -","- C53 H122 Au8 Cl10 N12 O4 P8 -","1","0.5","","Maravanji S. Balakrishna; Ramalingam Venkateswaran; Joel T. Mague","An Acyclic Dimer of Cyclodiphosphazane {tBuHN(tBuNP)2OCH2}2 Containing Alkoxo and Amido Functionalities: Synthesis, Derivatization, Bi- (PdII, RhI), and Tetranuclear (PdII, AuI, RhIAuI) Transition Metal Complexes","Inorganic Chemistry","2009","48","","1398","1406","10.1021/ic801256h","","","0.71073","MoKα","","0.0508","0.043","","","0.1052","0.1094","","","","","","1.02","","","","has coordinates,has disorder","179052","2020-10-21","18:00:00",""
"4301446","7.2266","0.0005","6.4086","0.0004","15.4198","0.001","90","","96.597","0.001","90","","709.4","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Genevieve M. Halpenny; Pradip K. Mascharak","Accelerated Photorelease of NO from {Ru-NO}6 Nitrosyls Containing Carboxamido-N and Carboxylato-O Donors: Syntheses, Structures, and Photochemistry","Inorganic Chemistry","2009","48","","1490","1497","10.1021/ic801748t","","","0.7749","synchrotron","","0.0597","0.0569","","","0.1699","0.1717","","","","","","1.167","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301456","3.7727","0.0004","15.6832","0.0017","8.3416","0.001","90","","101.797","0.01","90","","483.13","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Diaminoguanidinium 4,5-dicyano-1,2,3-triazolate","Diaminoguanidinium 4,5-dicyano-1,2,3-triazolate","","- C5 H8 N10 -","- C5 H8 N10 -","- C10 H16 N20 -","2","1","","Margaret-Jane Crawford; Konstantin Karaghiosoff; Thomas M. Klapötke; Franz A. Martin","Synthesis and Characterization of 4,5-Dicyano-2H-1,2,3-triazole and Its Sodium, Ammonium, and Guanidinium Salts","Inorganic Chemistry","2009","48","","1731","1743","10.1021/ic801793p","","","0.71073","MoKα","","0.0571","0.0467","","","0.0975","0.1036","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301506","11.8193","0.0006","11.2662","0.0006","12.6933","0.0006","90","","93.502","0.003","90","","1687.07","0.15","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Br4 N8 O5 Ru -","- C26 H30 Br4 N8 O5 Ru -","- C52 H60 Br8 N16 O10 Ru2 -","2","1","","Sofia Derossi; Lee Brammer; Christopher A. Hunter; Michael D. Ward","Halogen Bonded Supramolecular Assemblies of [Ru(bipy)(CN)4]2- Anions and N-Methyl-Halopyridinium Cations in the Solid State and in Solution","Inorganic Chemistry","2009","48","","1666","1677","10.1021/ic8021529","","","0.71073","MoKα","","0.0375","0.0328","","","0.0705","0.0723","","","","","","1.06","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301537","10.3832","0.0006","17.4346","0.0009","12.1272","0.0006","90","","94.549","0.001","90","","2188.4","0.2","130","2","130","2","","","","","","","","8","P 1 21 1","P 2yb","4","","{di{(-)-menthoxy}dithiophosphinato}{hydrotris(3- isopropylpyrazol-1-yl)borato}oxomolybdenum(IV)","","- C38 H66 B Mo N6 O3 P S2 -","- C38 H66 B Mo N6 O3 P S2 -","- C76 H132 B2 Mo2 N12 O6 P2 S4 -","2","1","","Charles G. Young; Michael S. Malarek; David J. Evans; Christian J. Doonan; Victor Wee Lin Ng; Jonathan M. White","Synthesis and Characterization of TpiPrMoO(S2PR2) (R = Pri, Ph, OEt, OPri, (-)-Mentholate) and {HB(OMe)(Pripz)2}MoO(S2PPri2), Including Isomers of Known 1,2-Borotropically-Shifted Complexes","Inorganic Chemistry","2009","48","","1960","1966","10.1021/ic8015518","","","0.71073","MoKα","","0.0284","0.0271","","","0.0631","0.0635","","","","","","1.001","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301611","10.438","0.0001","11.645","0.0002","14.804","0.0002","90","","108.135","0.001","90","","1710.05","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H60 N4 Rh2 W -","- C32 H60 N4 Rh2 W -","- C64 H120 N8 Rh4 W2 -","2","1","","Hamid Choujaa; Samuel D. Cosham; Andrew L. Johnson; Graeme R. Kafka; Mary F. Mahon; Sarah L. Masters; Kieran C. Molloy; David W. H. Rankin; Heather E. Robertson; Derek A. Wann","Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2 and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species","Inorganic Chemistry","2009","48","","2289","2299","10.1021/ic8021134","","","0.71073","MoKα","","0.1274","0.0603","","","0.1253","0.1502","","","","","","1.031","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301716","11.8966","0.0006","27.1729","0.0013","16.5478","0.0008","90","","99.805","0.001","90","","5271.2","0.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H84 Cl N2 O6 Sc -","- C52 H84 Cl N2 O6 Sc -","- C208 H336 Cl4 N8 O24 Sc4 -","4","2","","Christian Meermann; Karl W. Törnroos; Reiner Anwander","Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands","Inorganic Chemistry","2009","48","","2561","2570","10.1021/ic802082b","","","0.71073","MoKα","","0.0916","0.066","","","0.1722","0.1956","","","","","","1.029","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301744","8.3616","0.0006","9.5846","0.0007","13.6773","0.0011","90","","91.93","0.001","90","","1095.51","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H39 Cl3 N3 Os P -","- C14 H39 Cl3 N3 Os P -","- C28 H78 Cl6 N6 Os2 P2 -","2","1","","Miguel Baya; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate","Monocationic Trihydride and Dicationic Dihydride-Dihydrogen and Bis(dihydrogen) Osmium Complexes Containing Cyclic and Acyclic Triamine Ligands: Influence of the N-Os-N Angles on the Hydrogen-Hydrogen Interactions","Inorganic Chemistry","2009","48","","2677","2686","10.1021/ic8023259","","","0.71073","MoKα","","0.0206","0.0199","","","0.0436","0.044","","","","","","0.987","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301823","10.203","0.003","16.122","0.005","13.078","0.004","90","","110.688","0.004","90","","2012.5","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H60 Ba N4 O6 P2 -","- C32 H60 Ba N4 O6 P2 -","- C64 H120 Ba2 N8 O12 P4 -","2","1","","Chengfu Pi; Li Wan; Weiping Liu; Zaifu Pan; Haoyu Wu; Yunhua Wang; Wenjun Zheng; Linhong Weng; Zhenxia Chen; Limin Wu","1,2,4-Diazaphospholide Complexes of Barium: Mechanism of Formation and Crystallographic Characterization","Inorganic Chemistry","2009","48","","2967","2975","10.1021/ic802157g","","","0.71073","MoKα","","0.0595","0.0501","","","0.1187","0.1272","","","","","","1.069","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301926","11.6949","0.0007","14.2529","0.0009","34.705","0.002","90","","90.072","0.001","90","","5784.8","0.6","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(Hbmsae)2(OMe)2Cl2][Fe3(bmsae)3(OMe)Cl2(MeOH)]2.1.5MeOH (10)","","","- C88.5 H112 Br8 Cl6 Fe8 N8 O32.5 -","- C88.5 H112 Br8 Cl6 Fe8 N8 O32.5 -","- C177 H224 Br16 Cl12 Fe16 N16 O65 -","2","1","","Norihisa Hoshino; Ayuk M. Ako; Annie K. Powell; Hiroki Oshio","Molecular Magnets Containing Wheel Motifs","Inorganic Chemistry","2009","48","","3396","3407","10.1021/ic801776w","","","0.71073","MoKα","","0.074","0.0521","","","0.1148","0.1255","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301928","9.0813","0.0004","16.0307","0.0007","9.8496","0.0004","90","","117.38","0.001","90","","1273.27","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H38 Cl2 N2 O4 -","- C23 H38 Cl2 N2 O4 -","- C46 H76 Cl4 N4 O8 -","2","1","","Pedro Adão; João Costa Pessoa; Rui T. Henriques; Maxim L. Kuznetsov; Fernando Avecilla; Mannar R. Maurya; Umesh Kumar; Isabel Correia","Synthesis, Characterization, and Application of Vanadium-Salan Complexes in Oxygen Transfer Reactions","Inorganic Chemistry","2009","48","","3542","3561","10.1021/ic8017985","","","0.71073","MoKα","","0.0351","0.0341","","","0.0906","0.092","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301992","8.2699","0.0017","22.9875","0.0046","9.3852","0.0019","90","","114.381","0.03","90","","1625.1","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H43 Au N P3 Te -","- C30 H43 Au N P3 Te -","- C60 H86 Au2 N2 P6 Te2 -","2","1","","Jamie S. Ritch; Tristram Chivers","Group 11 Complexes of the P,Te-Centered Ligand [TePiPr2NPiPr2]-: Synthesis, Structures, and Insertion Reactions of the Copper(I) Complex with Chalcogens","Inorganic Chemistry","2009","48","","3857","3865","10.1021/ic802428b","","","0.71073","MoKα","","0.05","0.0401","","","0.0769","0.0822","","","","","","1.078","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302040","7.751","0.0004","18.8432","0.0009","10.3886","0.0005","90","","96.7566","0.0013","90","","1506.76","0.13","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 Cl2 Cu N2 -","- C14 H20 Cl2 Cu N2 -","- C56 H80 Cl8 Cu4 N8 -","4","2","","Sibaprasad Bhattacharyya; Aurora E. Clark; Maren Pink; Jeffrey M. Zaleski","Structure Modulated Electronic Contributions to Metalloenediyne Reactivity: Synthesis and Thermal Bergman Cyclization of MLX2 Compounds","Inorganic Chemistry","2009","48","","3916","3925","10.1021/ic801116q","","","0.71073","MoKα","","0.0284","0.025","","","0.0559","0.0573","","","","","","1.047","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302119","6.4751","0.0008","23.11","0.003","12.5595","0.0015","90","","100.715","0.002","90","","1846.6","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 Cd2 N6 O9 -","- C38 H42 Cd2 N6 O9 -","- C76 H84 Cd4 N12 O18 -","2","1","","Li Wang; Wei You; Wei Huang; Cheng Wang; Xiao-Zeng You","Alteration of Molecular Conformations, Coordination Modes, and Architectures for a Novel 3,8-Diimidazol-1,10-phenanthroline Compound in the Construction of Cadmium(II) and Zinc(II) Homochiral Coordination Polymers Involving an Auxiliary Chiral Camphorate Ligand","Inorganic Chemistry","2009","48","","4295","4305","10.1021/ic802445q","","","0.71073","MoKα","","0.0679","0.0558","","","0.1393","0.1474","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302120","10.592","0.004","22.306","0.008","13.12","0.005","90","","100.813","0.004","90","","3045","2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H62 N12 O13 Zn2 -","- C56 H62 N12 O13 Zn2 -","- C112 H124 N24 O26 Zn4 -","2","1","","Li Wang; Wei You; Wei Huang; Cheng Wang; Xiao-Zeng You","Alteration of Molecular Conformations, Coordination Modes, and Architectures for a Novel 3,8-Diimidazol-1,10-phenanthroline Compound in the Construction of Cadmium(II) and Zinc(II) Homochiral Coordination Polymers Involving an Auxiliary Chiral Camphorate Ligand","Inorganic Chemistry","2009","48","","4295","4305","10.1021/ic802445q","","","0.71073","MoKα","","0.133","0.0715","","","0.163","0.1808","","","","","","0.977","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302132","8.7717","0.001","14.1549","0.0016","16.3775","0.0019","90","","92.529","0.007","90","","2031.5","0.4","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H52 Fe K2 N4 O14 -","- C31 H52 Fe K2 N4 O14 -","- C62 H104 Fe2 K4 N8 O28 -","2","1","","C. Matthew Whaley; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of [HFe(CN)2(CO)3]- and Its Derivatives: Toward a Model for the Iron Subsite of the [NiFe]-Hydrogenases","Inorganic Chemistry","2009","48","","4462","4469","10.1021/ic900200s","","","0.71073","MoKα","","0.1479","0.1002","","","0.2489","0.281","","","","","","1.046","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302529","8.78","0.002","19.926","0.006","10.043","0.003","90","","95.018","0.004","90","","1750.3","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","penta(trifluoroacetate)-tri(tetrahydrofuran)-palladium(II)-bismuth(III)","","- C22 H24 Bi F15 O13 Pd -","- C22 H24 Bi F15 O13 Pd -","- C44 H48 Bi2 F30 O26 Pd2 -","2","1","","Bo Li; Haitao Zhang; Lan Huynh; Chantal Diverchy; Sophie Hermans; Michel Devillers; Evgeny V. Dikarev","Bismuth-Palladium Heterometallic Carboxylate as a Single-Source Precursor for the Carbon-Supported Pd-Bi/C Catalysts","Inorganic Chemistry","2009","48","","6152","6158","10.1021/ic900505v","","","0.71073","MoKα","","0.0355","0.0297","","","0.066","0.068","","","","","","0.95","","","","has coordinates,has disorder","179063","2020-10-21","18:00:00",""
"4302544","7.0117","0.0002","14.5876","0.0005","17.3291","0.0006","90","","95.971","0.003","90","","1762.87","0.1","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C24 H48 Cl Co2 F6 N8 O2 P S4 -","- C24 H48 Cl Co2 F6 N8 O2 P S4 -","- C48 H96 Cl2 Co4 F12 N16 O4 P2 S8 -","2","1","","Carsten Milsmann; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Octahedral Monodithiolene Complexes of Cobalt(III) and Chromium(III). Spectroscopic and Density Functional Theoretical Characterization of S,S'-Coordinated Benzene-1,2-dithiolate(1-) π Radicals.","Inorganic Chemistry","2009","48","","6211","6221","10.1021/ic900515j","","","0.71073","MoKα","","0.0721","0.0459","","","0.0673","0.0737","","","","","","1.018","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4302545","7.0883","0.0002","14.6485","0.0004","17.4787","0.0005","90","","96.073","0.003","90","","1804.68","0.09","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C24 H48 Cl Cr2 F6 N8 O2 P S4 -","- C24 H48 Cl Cr2 F6 N8 O2 P S4 -","- C48 H96 Cl2 Cr4 F12 N16 O4 P2 S8 -","2","1","","Carsten Milsmann; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Octahedral Monodithiolene Complexes of Cobalt(III) and Chromium(III). Spectroscopic and Density Functional Theoretical Characterization of S,S'-Coordinated Benzene-1,2-dithiolate(1-) π Radicals.","Inorganic Chemistry","2009","48","","6211","6221","10.1021/ic900515j","","","0.71073","MoKα","","0.0648","0.0412","","","0.0643","0.0701","","","","","","1.01","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4302548","9.7651","0.0003","23.5852","0.0007","10.5894","0.0003","90","","100.883","0.002","90","","2395","0.12","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","copperphosphonate","","","- C41 H45 Cl2 Cu3 N9 O13 P2 -","- C41 H45 Cl2 Cu3 N9 O13 P2 -","- C82 H90 Cl4 Cu6 N18 O26 P4 -","2","1","","Vadapalli Chandrasekhar; Tapas Senapati; E. Carolina Sañudo; R. Clérac","Tri-, Tetra-, and Hexanuclear Copper(II) Phosphonates Containing N-Donor Chelating Ligands: Synthesis, Structure, Magnetic Properties, and Nuclease Activity","Inorganic Chemistry","2009","48","","6192","6204","10.1021/ic900522u","","","0.71073","MoKα","","0.0536","0.0462","","","0.1292","0.1395","","","","","","1.012","","","","has coordinates,has disorder","179063","2020-10-21","18:00:00",""
"4302666","9.864","0.006","17.59","0.011","10.516","0.006","90","","100.266","0.012","90","","1795.4","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl2 Co N6 O9 -","- C35 H44 Cl2 Co N6 O9 -","- C70 H88 Cl4 Co2 N12 O18 -","2","1","","Peter Comba; Christina Haaf; Hubert Wadepohl","Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries","Inorganic Chemistry","2009","48","","6604","6614","10.1021/ic900571v","","x-ray","0.71073","MoKα","","0.053","0.0386","","","0.0821","0.0907","","","","","","1.045","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302790","11.9757","0.0008","18.3032","0.001","13.0747","0.0008","90","","90.225","0.002","90","","2865.9","0.3","193","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H48 Bi2 Nb2 O16 -","- C56 H48 Bi2 Nb2 O16 -","- C112 H96 Bi4 Nb4 O32 -","2","1","","Vitalie Stavila; John H. Thurston; Kenton H. Whitmire","Selective Arylation Reactions of Bismuth-Transition Metal Salicylate Complexes","Inorganic Chemistry","2009","48","","6945","6951","10.1021/ic9010357","","","0.71075","MoKα","","0.0628","0.0481","","","0.0968","0.1054","","","","","","1.069","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302972","8.9008","0.0001","14.301","0.0002","11.2391","0.0001","90","","108.296","0.0006","90","","1358.31","0.03","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H46 Cu N O2 P2 -","- C25 H46 Cu N O2 P2 -","- C50 H92 Cu2 N2 O4 P4 -","2","1","","Jarl Ivar van der Vlugt; Evgeny A. Pidko; Dieter Vogt; Martin Lutz; Anthony L. Spek","CuI Complexes with a Noninnocent PNP Ligand: Selective Dearomatization and Electrophilic Addition Reactivity","Inorganic Chemistry","2009","48","","7513","7515","10.1021/ic901032c","","","0.71073","MoKα","","0.0252","0.0227","","","0.0535","0.0547","","","","","","1.076","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302985","13.2198","0.001","5.8004","0.0006","15.347","0.0012","90","","108.43","0.007","90","","1116.45","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H16 Co0.5 O8.5 -","- C7 H14 Co0.5 O8.5 -","- C28 H56 Co2 O34 -","4","2","","M. Menelaou; A. Konstantopai; C. Mateescu; H. Zhao; C. Drouza; N. Lalioti; A. Salifoglou","pH-Dependent Syntheses, Structural and Spectroscopic Characterization, and Chemical Transformations of Aqueous Co(II)-Quinate Complexes: An Effort to Delve into the Structural Speciation of the Binary Co(II)-Quinic Acid System","Inorganic Chemistry","2009","48","","8092","8105","10.1021/ic801500x","","","0.71073","MoKα","","0.0369","0.0351","","","0.0967","0.0977","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303027","10.9619","0.0017","10.5221","0.0015","11.1483","0.0017","90","","91.611","0.004","90","","1285.4","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H38 La N8 O Sb Se4 -","- C12 H29 La N8 O Sb Se4 -","- C24 H58 La2 N16 O2 Sb2 Se8 -","2","1","","Dingxian Jia; Qinyan Jin; Jiangfang Chen; Yingli Pan; Yong Zhang","The Coordination of the Tetraselenidoantimonate [SbSe4]3- Anion with Trivalent Lanthanide Ions Tuned by Ethylene Polyamines","Inorganic Chemistry","2009","48","","8286","8293","10.1021/ic900901t","","","0.71073","MoKα","","0.058","0.0439","","","0.0745","0.0801","","","","","","1.077","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303122","9.619","0.0003","8.5993","0.0003","16.9762","0.0007","90","","93.2212","0.0011","90","","1402","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H32 F12 N2 O4 Ti -","- C22 H32 F12 N2 O4 Ti -","- C44 H64 F24 N4 O8 Ti2 -","2","1","","Ekaterina Sergeeva; Jacob Kopilov; Israel Goldberg; Moshe Kol","2,2'-Bipyrrolidine versus 1,2-Diaminocyclohexane as Chiral Cores for Helically Wrapping Diamine-Diolate Ligands","Inorganic Chemistry","2009","48","","8075","8077","10.1021/ic901367k","","","0.71073","MoKα","","0.057","0.0418","","","0.0961","0.1039","","","","","","1.005","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303205","10.9174","0.0006","12.6596","0.0006","16.2783","0.0008","90","","103.465","0.003","90","","2187.98","0.19","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H33 Fe2 N5 O4 P2 S2 -","- C37 H33 Fe2 N5 O4 P2 S2 -","- C74 H66 Fe4 N10 O8 P4 S4 -","2","1","","Tsai-Te Lu; Hsiao-Wen Huang; Wen-Feng Liaw","Anionic Mixed Thiolate-Sulfide-Bridged Roussin's Red Esters [(NO)2Fe(μ-SR)(μ-S)Fe(NO)2]- (R = Et, Me, Ph): A Key Intermediate for Transformation of Dinitrosyl Iron Complexes (DNICs) to [2Fe-2S] Clusters","Inorganic Chemistry","2009","48","","9027","9035","10.1021/ic9012679","","","0.71073","MoKα","","0.1106","0.0592","","","0.1246","0.1395","","","","","","0.935","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303279","9.234","0.001","10.908","0.001","11.795","0.001","90","","106.74","0.01","90","","1137.7","0.2","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","[ReOCl(Hexamethylenetsc-Et2bzm)]","N-(N',N'- Diethylaminothiocarbonyl)-N''-(N-1-Hexamethyleneimine carbothioamide)benzamidinato(chloro)oxorhenium(V)","","- C19 H27 Cl N5 O Re S2 -","- C19 H27 Cl N5 O Re S2 -","- C38 H54 Cl2 N10 O2 Re2 S4 -","2","1","","Hung Huy Nguyen; Jesudas J. Jegathesh; Pedro I. da S. Maia; Victor M. Deflon; Ronald Gust; Silke Bergemann; Ulrich Abram","Synthesis, Structural Characterization, and Biological Evaluation of Oxorhenium(V) Complexes with a Novel Type of Thiosemicarbazones Derived from N-[N',N'-Dialkylamino(thiocarbonyl)]benzimidoyl Chlorides","Inorganic Chemistry","2009","48","","9356","9364","10.1021/ic901160v","","","0.71073","MoKα","","0.0576","0.0459","","","0.1122","0.1231","","","","","","1.028","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303289","11.9528","0.0005","14.1317","0.0005","15.0482","0.0006","90","","95.07","0.001","90","","2531.9","0.17","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H30 Bi3 O12 Re3 -","- C48 H30 Bi3 O12 Re3 -","- C96 H60 Bi6 O24 Re6 -","2","1","","Richard D. Adams; William C. Pearl","Rhenium-Bismuth Carbonyl Cluster Compounds","Inorganic Chemistry","2009","48","","9519","9525","10.1021/ic901176x","","","0.71073","MoKα","","0.0482","0.0369","","","0.0627","0.0664","","","","","","0.983","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303398","22.3618","0.0009","9.2408","0.0004","23.6618","0.0009","90","","112.682","0.001","90","","4511.3","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H54 B12 N2 P2 -","- C43 H54 B12 N2 P2 -","- C172 H216 B48 N8 P8 -","4","2","","Jian Zhang; Fangrui Zheng; Hoi-Shan Chan; Zuowei Xie","Reaction of a 14-Vertex Carborane with Nucleophiles: Formation of nido-C2B12, nido-C2B11, and closo-CB11 Carborane Anions","Inorganic Chemistry","2009","48","","9786","9791","10.1021/ic901335w","","","0.71073","MoKα","","0.0632","0.0493","","","0.1195","0.1265","","","","","","1.044","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303433","10.8545","0.0008","11.0354","0.0008","14.932","0.0011","90","","94.47","0.002","90","","1783.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H54 As Mo N3 -","- C36 H54 As Mo N3 -","- C72 H108 As2 Mo2 N6 -","2","1","","John J. Curley; Nicholas A. Piro; Christopher C. Cummins","A Terminal Molybdenum Arsenide Complex Synthesized from Yellow Arsenic","Inorganic Chemistry","2009","48","","9599","9601","10.1021/ic9016068","","","0.71073","MoKα","","0.0575","0.042","","","0.0936","0.0992","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4303444","7.7332","0.0003","9.6883","0.0005","17.3374","0.0008","90","","103.765","0.0017","90","","1261.64","0.1","93.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl2 N6 Ni O12 -","- C16 H26 Cl2 N6 Ni O12 -","- C32 H52 Cl4 N12 Ni2 O24 -","2","1","","Shohei Tashiro; Ai Minoda; Mihoko Yamada; Mitsuhiko Shionoya","One-Pot, Template Syntheses of a New Class of Metallomacrocycles with a Tetraoxime Cyclic Skeleton","Inorganic Chemistry","2009","48","","10093","10101","10.1021/ic900993j","","","0.71075","MoKα","","","0.0294","","","","0.074","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303471","10.33","0.002","11.243","0.002","14.653","0.003","90","","108.19","0.03","90","","1616.8","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H46 Cl Mo N O3 S -","- C32 H46 Cl Mo N O3 S -","- C64 H92 Cl2 Mo2 N2 O6 S2 -","2","1","","Martina E. Judmaier; Andreas Wallner; Gregor N. Stipicic; Karl Kirchner; Judith Baumgartner; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo Complexes with Tridentate Phenolate Ligands","Inorganic Chemistry","2009","48","","10211","10221","10.1021/ic901201s","","","0.71073","MoKα","","0.1108","0.087","","","0.1554","0.1667","","","","","","1.088","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4303474","10.3396","0.0015","13.2455","0.0019","11.8273","0.0017","90","","92.361","0.003","90","","1618.4","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Fe Mn N8 O5 -","- C35 H30 Fe Mn N8 O5 -","- C70 H60 Fe2 Mn2 N16 O10 -","2","1","","He-Rui Wen; Yun-Zhi Tang; Cai-Ming Liu; Jing-Lin Chen; Chang-Lin Yu","One-Dimensional Homochiral Cyano-Bridged Heterometallic Chain Coordination Polymers with Metamagnetic or Ferroelectric Properties","Inorganic Chemistry","2009","48","","10177","10185","10.1021/ic901224f","","","0.71073","MoKα","","0.077","0.0632","","","0.1325","0.1359","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4303475","10.3411","0.0013","13.228","0.0017","11.8306","0.0015","90","","92.314","0.003","90","","1617","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Fe Mn N8 O5 -","- C35 H30 Fe Mn N8 O5 -","- C70 H60 Fe2 Mn2 N16 O10 -","2","1","","He-Rui Wen; Yun-Zhi Tang; Cai-Ming Liu; Jing-Lin Chen; Chang-Lin Yu","One-Dimensional Homochiral Cyano-Bridged Heterometallic Chain Coordination Polymers with Metamagnetic or Ferroelectric Properties","Inorganic Chemistry","2009","48","","10177","10185","10.1021/ic901224f","","","0.71073","MoKα","","0.0758","0.064","","","0.1402","0.1434","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4303544","4.391","0.0015","6.917","0.002","11.793","0.003","90","","97.81","0.02","90","","354.86","0.18","110","","110","","","","","","","","local laboratory","4","P 1 21 1","P 2yb","4","4-formamidobenzaldehyde","(E)-4-formamidobenzaldehyde","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","","Yixun Zhang; Andrew W. Maverick","Preparation of an Isocyano-β-diketone via its Metal Complexes, by Use of Metal Ions as Protecting Groups","Inorganic Chemistry","2009","48","","10512","10518","10.1021/ic900202e","","","0.71073","MoKα","","0.0581","0.0396","","","0.0917","0.0995","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4303695","11.1119","0.0005","17.0141","0.0006","14.4999","0.0006","90","","90.983","0.002","90","","2740.93","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl2 O P2 Pt -","- C30 H26 Cl2 O P2 Pt -","- C120 H104 Cl8 O4 P8 Pt4 -","4","2","","Fengli Liu; Sumod A. Pullarkat; Kien-Wee Tan; Yongxin Li; Pak-Hing Leung","Organoplatinum Complex Promoted the Asymmetric Endo Stereochemically Controlled Diels-Alder Reaction between 3-Diphenylphosphinofuran and Diphenylvinylphosphine","Inorganic Chemistry","2009","48","","11394","11398","10.1021/ic9014543","","","0.71073","MoKα","","0.0198","0.0181","","","0.0381","0.0388","","","","","","0.947","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303729","13.0722","0.0002","26.5969","0.0005","20.2442","0.0004","90","","97.4403","0.0007","90","","6979.2","0.2","103.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H72 Eu F9 O9 P2 -","- C72 H72 Eu F9 O9 P2 -","- C288 H288 Eu4 F36 O36 P8 -","4","2","","Takashi Harada; Yoko Nakano; Michiya Fujiki; Masanobu Naito; Tsuyoshi Kawai; Yasuchika Hasegawa","Circularly Polarized Luminescence of Eu(III) Complexes with Point- and Axis-Chiral Ligands Dependent on Coordination Structures","Inorganic Chemistry","2009","48","","11242","11250","10.1021/ic901663w","","","0.71075","MoKα","","","0.0237","","","","0.0577","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303763","8.5033","0.0001","22.8862","0.0004","14.9349","0.0003","90","","106.253","0.0006","90","","2790.3","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H38 Mo N2 O4 -","- C28 H38 Mo N2 O4 -","- C112 H152 Mo4 N8 O16 -","4","2","","Jeanette E. Ziegler; Guodong Du; Philip E. Fanwick; Mahdi M. Abu-Omar","An Efficient Method for the Preparation of Oxo Molybdenum Salalen Complexes and Their Unusual Use as Hydrosilylation Catalysts","Inorganic Chemistry","2009","48","","11290","11296","10.1021/ic901794h","","","0.71073","MO-Kα","","0.054","0.037","","","0.075","0.079","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303778","11.8135","0.001","23.679","0.002","12.2325","0.0011","90","","106.928","0.002","90","","3273.6","0.5","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H60 Ag2 F12 O6 P2 S6 -","- C54 H60 Ag2 F12 O6 P2 S6 -","- C108 H120 Ag4 F24 O12 P4 S12 -","2","1","","So Young Lee; Sunhong Park; Shim Sung Lee","Copper(I), Silver(I), and Palladium(II) Complexes of a Thiaoxamacrocycle Displaying Unusual Topologies","Inorganic Chemistry","2009","48","","11335","11341","10.1021/ic901902t","","","0.71073","MoKα","","0.1715","0.0682","","","0.1603","0.2061","","","","","","1.045","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303779","10.1433","0.0006","14.239","0.0005","16.0788","0.0009","90","","96.131","0.004","90","","2309","0.2","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 Ga2 Ge2 N12 Te15 -","- C12 Ga2 Ge2 N12 Te15 -","- C24 Ga4 Ge4 N24 Te30 -","2","1","","Qichun Zhang; Christos D. Malliakas; Mercouri G. Kanatzidis","{[Ga(en)3]2(Ge2Te15)}n: A Polymeric Semiconducting Polytelluride with Boat-Shaped Te84- Rings and Cross-Shaped Te56- Units","Inorganic Chemistry","2009","48","","10910","10912","10.1021/ic9019074","","","0.71073","MoKα","","0.0762","0.0688","","","0.1684","0.1728","","","","","","1.016","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303933","8.9775","0.0007","27.614","0.002","10.7148","0.0008","90","","90.388","0.002","90","","2656.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H52 B N12 W2 -","- C64 H52 B N12 W2 -","- C128 H104 B2 N24 W4 -","2","1","","Michael Nippe; Eric Victor; John F. Berry","Oxidation Chemistry of Axially Protected Mo2 and W2 Quadruply Bonded Compounds","Inorganic Chemistry","2009","48","","11889","11895","10.1021/ic901965b","","","0.71073","MoKα","","0.0213","0.0205","","","0.053","0.0562","","","","","","1.155","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303935","8.9852","0.0006","27.6529","0.0019","10.6952","0.0008","90","","90.401","0.001","90","","2657.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H52 B Mo2 N12 -","- C64 H52 B Mo2 N12 -","- C128 H104 B2 Mo4 N24 -","2","1","","Michael Nippe; Eric Victor; John F. Berry","Oxidation Chemistry of Axially Protected Mo2 and W2 Quadruply Bonded Compounds","Inorganic Chemistry","2009","48","","11889","11895","10.1021/ic901965b","","","0.71073","MoKα","","0.0233","0.0219","","","0.058","0.0638","","","","","","1.159","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303986","9.6159","0.0008","10.7202","0.0009","10.6943","0.0008","90","","103.868","0.001","90","","1070.28","0.15","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","R-(+)-1-bromopropan-2-beta-D-galactose tetraacetate","","- C17 H25 Br O10 -","- C17 H25 Br O10 -","- C34 H50 Br2 O20 -","2","1","","Lauren M. Urbanczyk-Pearson; Frank J. Femia; Jeffrey Smith; Giacomo Parigi; Joseph A. Duimstra; Amanda L. Eckermann; Claudio Luchinat; Thomas J. Meade","Mechanistic Investigation of β-Galactosidase-Activated MR Contrast Agents","Inorganic Chemistry","2008","47","","56","68","10.1021/ic700888w","","","0.71073","MoKα","","0.0377","0.0319","","","0.082","0.0847","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304096","10.0381","0.0003","7.4076","0.0003","18.2949","0.0007","90","","92.14","0.002","90","","1359.43","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","sa0419","","","- C30 H40 B2 Fe O4 -","- C30 H40 B2 Fe O4 -","- C60 H80 B4 Fe2 O8 -","2","1","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.71073","MoKα","","0.0731","0.0559","","","0.1254","0.1349","","","","","","1.03","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304102","10.1599","0.0005","9.4937","0.0005","12.7481","0.001","90","","107.115","0.002","90","","1175.17","0.13","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","sa0612","","","- C25 H21 B F3 Fe O5 S -","- C25 H21 B F3 Fe O5 S -","- C50 H42 B2 F6 Fe2 O10 S2 -","2","1","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.71073","MoKα","","0.1037","0.0722","","","0.1653","0.1866","","","","","","1.045","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304251","9.25","0.002","16.373","0.003","13.473","0.003","90","","99.41","0.03","90","","2013","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H61 Al2 Cu N O8 -","- C29 H61 Al2 Cu N O8 -","- C58 H122 Al4 Cu2 N2 O16 -","2","1","","Michael Veith; Kroum Valtchev; Volker Huch","Tetraalkoxyaluminates of Nickel(II), Copper(II), and Copper(I)","Inorganic Chemistry","2008","47","","1204","1217","10.1021/ic701729y","","","0.71073","MoKα","","0.0552","0.047","","","0.1401","0.1558","","","","","","1.082","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304282","9.1495","0.0008","8.6211","0.0007","12.907","0.0011","90","","97.675","0.001","90","","1008.97","0.15","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl2 Cu N2 O3 -","- C16 H24 Cl2 Cu N2 O3 -","- C32 H48 Cl4 Cu2 N4 O6 -","2","1","","Shane G. Telfer; Nyree D. Parker; Reiko Kuroda; Takunori Harada; Julie Lefebvre; Daniel B. Leznoff","Helicates, Boxes, and Polymers from Simple Pyridine-Alcohol Ligands: the Impact of the Identity of the Transition Metal Ion","Inorganic Chemistry","2008","47","","209","218","10.1021/ic701757e","","","0.71073","MoKα","","0.0296","0.026","","","0.0544","0.0551","","","","","","0.986","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304283","10.5843","0.0003","16.332","0.0004","11.9571","0.0003","90","","115.037","0.001","90","","1872.72","0.09","199","2","199","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H47 Br3 Cu2 N4 O6 -","- C32 H43 Br3 Cu2 N4 O6 -","- C64 H86 Br6 Cu4 N8 O12 -","2","1","","Shane G. Telfer; Nyree D. Parker; Reiko Kuroda; Takunori Harada; Julie Lefebvre; Daniel B. Leznoff","Helicates, Boxes, and Polymers from Simple Pyridine-Alcohol Ligands: the Impact of the Identity of the Transition Metal Ion","Inorganic Chemistry","2008","47","","209","218","10.1021/ic701757e","","","0.71073","MoKα","","0.0345","0.0292","","","0.0709","0.077","","","","","","1.03","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304510","7.5321","0.0007","16.0522","0.0014","17.4225","0.0015","90","","92.783","0.001","90","","2104","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Al-4-26 Cu(OH)2","","- C23 H24 Cu N2 O7 -","- C23 H24 Cu N2 O7 -","- C92 H96 Cu4 N8 O28 -","4","2","","Azadeh Lalehzari; John Desper; Christopher J. Levy","Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand","Inorganic Chemistry","2008","47","","1120","1126","10.1021/ic702015u","","","0.71073","MoKα","","0.0405","0.0335","","","0.0807","0.0844","","","","","","0.973","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304512","8.8032","0.0004","12.5533","0.0006","12.3334","0.0006","90","","95.159","0.002","90","","1357.43","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","AL-608 (AL-4-26 Fe)","","- C28 H34 Fe N4 O6 -","- C28 H34 Fe N4 O6 -","- C56 H68 Fe2 N8 O12 -","2","1","","Azadeh Lalehzari; John Desper; Christopher J. Levy","Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand","Inorganic Chemistry","2008","47","","1120","1126","10.1021/ic702015u","","","0.71073","MoKα","","0.0264","0.0246","","","0.0648","0.0657","","","","","","1.028","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304513","8.81","0.0008","12.4866","0.0012","12.3007","0.0012","90","","94.572","0.004","90","","1348.9","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","AL-4-26 / CoI2-R","","- C28 H34 Co N4 O6 -","- C28 H34 Co N4 O6 -","- C56 H68 Co2 N8 O12 -","2","1","","Azadeh Lalehzari; John Desper; Christopher J. Levy","Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand","Inorganic Chemistry","2008","47","","1120","1126","10.1021/ic702015u","","","0.71073","MoKα","","0.0612","0.0465","","","0.1087","0.1193","","","","","","0.973","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304514","8.8514","0.0006","12.5256","0.0009","12.1886","0.0009","90","","94.563","0.001","90","","1347.06","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","AL-4-26/NiI2-R","","- C28 H34 N4 Ni O6 -","- C28 H34 N4 Ni O6 -","- C56 H68 N8 Ni2 O12 -","2","1","","Azadeh Lalehzari; John Desper; Christopher J. Levy","Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand","Inorganic Chemistry","2008","47","","1120","1126","10.1021/ic702015u","","","0.71073","MoKα","","0.0383","0.0345","","","0.0818","0.0835","","","","","","1.056","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304515","8.7802","0.0007","12.5067","0.001","12.34","0.001","90","","94.856","0.001","90","","1350.21","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","AL-4-26/ZnCl2-R","","- C28 H34 N4 O6 Zn -","- C28 H34 N4 O6 Zn -","- C56 H68 N8 O12 Zn2 -","2","1","","Azadeh Lalehzari; John Desper; Christopher J. Levy","Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand","Inorganic Chemistry","2008","47","","1120","1126","10.1021/ic702015u","","","0.71073","MoKα","","0.0319","0.0298","","","0.0707","0.0718","","","","","","1.026","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304526","13.3236","0.0016","19.432","0.002","13.3786","0.0016","90","","105.572","0.002","90","","3336.6","0.7","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H48 Mn8 N18 O28 -","- C38 H48 Mn8 N18 O28.45 -","- C76 H96 Mn16 N36 O56.9 -","2","1","","Theocharis C. Stamatatos; Brian S. Luisi; Brian Moulton; George Christou","Employment of 2,6-Diacetylpyridine Dioxime as a New Route to High Nuclearity Metal Clusters: Mn6 and Mn8 Complexes","Inorganic Chemistry","2008","47","","1134","1144","10.1021/ic7020269","","","0.71073","MoKα","","0.151","0.0967","","","0.2345","0.278","","","","","","1.022","","","","has coordinates,has disorder","179083","2020-10-21","18:00:00",""
"4304601","9.5072","0.0017","14.552","0.003","12.861","0.002","90","","101.089","0.003","90","","1746.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H52 Cl N7 Ni O6 -","- C29 H52 Cl N7 Ni O6 -","- C58 H104 Cl2 N14 Ni2 O12 -","2","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.0513","0.0376","","","0.0845","0.0906","","","","","","1.007","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4304624","10.804","0.006","31.363","0.018","20.186","0.008","90","","94.522","0.013","90","","6819","6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H95.5 Cl Fe N6 O0.5 -","- C66 H95.5 Cl Fe N6 O0.5 -","- C264 H382 Cl4 Fe4 N24 O2 -","4","2","","Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations","Inorganic Chemistry","2008","47","","1165","1172","10.1021/ic702154z","","","0.71073","MoKα","","0.2233","0.0813","","","0.2053","0.2507","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304662","5.955","0.003","7.525","0.004","15.22","0.009","90","","96.51","0.01","90","","677.6","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Au F5 N3 -","- C13 H9 Au F5 N3 -","- C26 H18 Au2 F10 N6 -","2","1","","Camino Bartolomé; Marta Carrasco-Rando; Silverio Coco; Carlos Cordovilla; Jose M. Martín-Alvarez; Pablo Espinet","Luminescent Gold(I) Carbenes from 2-Pyridylisocyanide Complexes: Structural Consequences of Intramolecular versus Intermolecular Hydrogen-Bonding Interactions","Inorganic Chemistry","2008","47","","1616","1624","10.1021/ic702201e","","","0.71073","MoKα","","0.025","0.0233","","","0.0631","0.0642","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304712","14.1374","0.0003","13.7276","0.0003","19.2999","0.0005","90","","96.481","0.003","90","","3721.64","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H48 Fe N4 -","- C44 H48 Fe N4 -","- C176 H192 Fe4 N16 -","4","2","","Nicoleta Muresan; Connie C. Lu; Meenakshi Ghosh; Jonas C. Peters; Megumi Abe; Lawrence M. Henling; Thomas Weyhermöller; Eckhard Bill; Karl Wieghardt","Bis(α-diimine)iron Complexes: Electronic Structure Determination by Spectroscopy and Broken Symmetry Density Functional Theoretical Calculations","Inorganic Chemistry","2008","47","","4579","4590","10.1021/ic7022693","","","0.71073","MoKα","","0.0557","0.0512","","","0.1262","0.1299","","","","","","1.045","","","","has coordinates,has disorder","179085","2020-10-21","18:00:00",""
"4304718","10.575","0.005","12.891","0.007","11.341","0.006","90","","110.4","0.009","90","","1449.1","1.3","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H46 N2 O3 V -","- C32 H46 N2 O3 V -","- C64 H92 N4 O6 V2 -","2","1","","Sougandi Ilango; Balamurugan Vidjayacoumar; Sandro Gambarotta; Serge I. Gorelsky","Low-Valent Vanadium Complexes of a Pyrrolide-Based Ligand. Electronic Structure of a Dimeric V(I) Complex with a Short and Weak Metal-Metal Bond","Inorganic Chemistry","2008","47","","3265","3273","10.1021/ic702280g","","","0.71073","MoKα","","0.0529","0.0398","","","0.0888","0.0943","","","","","","1.003","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4304752","9.564","0.001","22.511","0.001","13.818","0.001","90","","103.03","0.01","90","","2898.4","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Tris(5,6-diphenyl-1,2,4-triazine-3-thionato)(triphenylphosphine)- rhenium(III) acetone solvate","","- C64.5 H48 N9 O0.5 P Re S3 -","- C64.5 H48.05 N9 O0.5 P Re S3 -","- C129 H96.1 N18 O P2 Re2 S6 -","2","1","","Elena López-Torres; Ulrich Abram","Rhenium Complexes with Triazine Derivatives Formed from Semicarbazones and Thiosemicarbazones","Inorganic Chemistry","2008","47","","2890","2896","10.1021/ic702326v","","","0.71073","MoKα","","0.0964","0.0667","","","0.1372","0.15","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304788","9.703","0.007","15.243","0.012","10.459","0.008","90","","92.8","0.06","90","","1545","2","100","2","100","2","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C23 H42 Co N12 O P3 S3 -","- C23 H42 Co N12 O P3 S3 -","- C46 H84 Co2 N24 O2 P6 S6 -","2","1","","Łukasz Jaremko; Alexander M. Kirillov; Piotr Smoleński; Tadeusz Lis; Armando J. L. Pombeiro","Extending the Coordination Chemistry of 1,3,5-Triaza-7-phosphaadamantane (PTA) to Cobalt Centers: First Examples of Co-PTA Complexes and of a Metal Complex with the PTA Oxide Ligand","Inorganic Chemistry","2008","47","","2922","2924","10.1021/ic702373b","","","1.5418","CuKα","","0.0989","0.0509","","","0.063","0.0712","","","","","","0.817","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4304866","15.1906","0.0003","13.1985","0.0003","31.126","0.0008","90","","92.699","0.002","90","","6233.6","0.2","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60.5 H78 N6 O2 Si4 Yb2 -","- C60.5 H78 N6 O2 Si4 Yb2 -","- C242 H312 N24 O8 Si16 Yb8 -","4","2","","Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi","Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization","Inorganic Chemistry","2008","47","","4319","4328","10.1021/ic702461f","","","0.7107","MoKα","","0.0492","0.0421","","","0.077","0.0808","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304867","14.9688","0.0012","22.379","0.002","31.488","0.003","90","","100.767","0.007","90","","10362.4","1.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C116.5 H126 N9 O4 Si2 Y3 -","- C116.5 H126 N9 O4 Si2 Y3 -","- C466 H504 N36 O16 Si8 Y12 -","4","2","","Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi","Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization","Inorganic Chemistry","2008","47","","4319","4328","10.1021/ic702461f","","","0.7107","MoKα","","0.169","0.1136","","","0.2666","0.3146","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304868","14.7699","0.0008","22.0136","0.001","31.2361","0.0018","90","","100.426","0.003","90","","9988.4","0.9","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C116.5 H126 N9 O4 Si2 Yb3 -","- C116.5 H126 N9 O4 Si2 Yb3 -","- C466 H504 N36 O16 Si8 Yb12 -","4","2","","Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi","Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization","Inorganic Chemistry","2008","47","","4319","4328","10.1021/ic702461f","","","0.7107","MoKα","","0.0865","0.0711","","","0.1138","0.1256","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305040","10.9225","0.0003","6.4718","0.0001","13.8434","0.0003","90","","100.006","0.001","90","","963.68","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cu N2 O5 -","- C17 H22 Cu N2 O5 -","- C34 H44 Cu2 N4 O10 -","2","1","","Suribabu Jammi; Laxmidhar Rout; Prasenjit Saha; Vijay K. Akkilagunta; Sridhar Sanyasi; Tharmalingam Punniyamurthy","Synthesis, Structure and Application of Chiral Copper(II) Coordination Polymers for Asymmetric Acylation","Inorganic Chemistry","2008","47","","5093","5098","10.1021/ic800228c","","","0.71073","MoKα","","0.0509","0.0336","","","0.0663","0.0733","","","","","","1.001","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305041","11.6599","0.0008","7.2927","0.0006","12.0335","0.0009","90","","113.928","0.004","90","","935.29","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br Cu N O3 -","- C17 Br Cu N O3 -","- C34 Br2 Cu2 N2 O6 -","2","1","","Suribabu Jammi; Laxmidhar Rout; Prasenjit Saha; Vijay K. Akkilagunta; Sridhar Sanyasi; Tharmalingam Punniyamurthy","Synthesis, Structure and Application of Chiral Copper(II) Coordination Polymers for Asymmetric Acylation","Inorganic Chemistry","2008","47","","5093","5098","10.1021/ic800228c","","","0.71073","MoKα","","0.1455","0.133","","","0.3769","0.3824","","","","","","1.603","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305166","16.647","0.002","27.723","0.003","18.681","0.002","90","","90.837","0.01","90","","8620.5","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H182.5 Cl2 N27.5 Nd4 O27 -","- C181 H182.5 Cl2 N27.5 Nd4 O27 -","- C362 H365 Cl4 N55 Nd8 O54 -","2","1","","Marco Lama; Olimpia Mamula; Gregg S. Kottas; Luisa De Cola; Helen Stoeckli-Evans; Sergiu Shova","Enantiopure, Supramolecular Helices Containing Three-Dimensional Tetranuclear Lanthanide(III) Arrays: Synthesis, Structure, Properties, and Solvent-Driven Trinuclear/Tetranuclear Interconversion","Inorganic Chemistry","2008","47","","8000","8015","10.1021/ic7021006","","","0.71073","MoKα","","0.0333","0.029","","","0.0903","0.0971","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305182","7.925","0.006","9.977","0.007","12.264","0.009","90","","103.559","0.012","90","","942.7","1.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 Ni O8 -","- C14 H19 N5 Ni O8 -","- C28 H38 N10 Ni2 O16 -","2","1","","Christopher W. Belock; Anil Çetin; Natalie V. Barone; Christopher J. Ziegler","Transition Metal Coordination Chemistry of N,N-Bis(2-{pyrid-2-ylethyl})hydroxylamine","Inorganic Chemistry","2008","47","","7114","7120","10.1021/ic702406n","","","0.71073","MoKα","","0.0371","0.0337","","","0.0741","0.0754","","","","","","1.005","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305189","13.3435","0.0016","13.1677","0.0017","14.3186","0.0016","90","","99.742","0.008","90","","2479.5","0.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[PdAg(PP3)Cl3].2H2O","","- C43 H42 Ag Cl3 O3 P4 Pd -","- C43 H42 Ag Cl3 O3 P4 Pd -","- C86 H84 Ag2 Cl6 O6 P8 Pd2 -","2","1","","D. Fernández-Anca; M. Inés García-Seijo; Alfonso Castiñeiras; M. Esther García-Fernández","Novel Chelate Ring-Opening Induced by Silver(I) of Five-Coordinate Palladium(II) and Platinum(II) Complexes Containing Tripodal Polyphosphines","Inorganic Chemistry","2008","47","","5685","5695","10.1021/ic702419r","","","0.71073","MoKα","","0.1845","0.0749","","","0.2081","0.2627","","","","","","0.913","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305266","8.4736","0.0001","23.0999","0.0003","11.5577","0.0001","90","","100.993","0.001","90","","2220.78","0.04","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H81 Cl O3 Si3 W -","- C36 H81 Cl O3 Si3 W -","- C72 H162 Cl2 O6 Si6 W2 -","2","1","","David S. Kuiper; Richard E. Douthwaite; Ana-Rita Mayol; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari; Oanh P. Lam; Karsten Meyer","Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n+1)s Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox =tBu3SiO)","Inorganic Chemistry","2008","47","","7139","7153","10.1021/ic800139c","","","0.71073","MoKα","","0.0451","0.0345","","0.0903","0.0786","","","","1.127","1.132","1.132","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305377","7.9796","0.0002","12.7023","0.0004","11.7635","0.0004","90","","106.58","0.001","90","","1142.76","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl N3 Pd -","- C25 H26 Cl N3 Pd -","- C50 H52 Cl2 N6 Pd2 -","2","1","","Hong Mei Peng; Guoyong Song; Yongxin Li; Xingwei Li","Synthesis, Structures, and Solution Dynamics of Palladium Complexes of Quinoline-Functionalized N-Heterocyclic Carbenes","Inorganic Chemistry","2008","47","","8031","8043","10.1021/ic800361v","","","0.71073","MoKα","","0.0457","0.0431","","","0.1244","0.1288","","","","","","1.054","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305385","8.2618","0.001","12.8134","0.0016","10.2229","0.0012","90","","96.113","0.002","90","","1076.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H18 F6 N6 O3 P Re -","- C15 H18 F6 N6 O3 P Re -","- C30 H36 F12 N12 O6 P2 Re2 -","2","1","","Brenton R. Franklin; Richard S. Herrick; Christopher J. Ziegler; Natalie Barone; Laura R. Condon","Reactions of the Re(CO)3(H2O)3+ Synthon with Monodentate Ligands under Aqueous Conditions","Inorganic Chemistry","2008","47","","5902","5909","10.1021/ic800363w","","","0.71073","MoKα","","0.0264","0.025","","","0.0519","0.0524","","","","","","0.879","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305457","14.707","0.004","24.208","0.007","22.818","0.006","90","","90.1332","0.0013","90","","8124","4","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H54 Cl2 Mn N8 O2 -","- C37 H54 Cl2 Mn N8 O2 -","- C296 H432 Cl16 Mn8 N64 O16 -","8","4","","Kurahashi, Takuya; Fujii, Hiroshi","Chiral Distortion in a MnIV(salen)(N3)2 Derived from Jacobsen's Catalyst as a Possible Conformation Model for Its Enantioselective Reactions","Inorganic Chemistry","2008","47","17","7556","7567","10.1021/ic800443q","","","0.7107","MoKα","","","0.0828","","","","0.2644","","","","","","1.054","","","","has coordinates","210312","2020-10-21","18:00:00",""
"4305677","9.9477","0.0016","8.9814","0.0014","13.969","0.002","90","","107.544","0.003","90","","1190","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl N2 O6 P2 Zn2 -","- C18 H25 Cl N2 O6 P2 Zn2 -","- C36 H50 Cl2 N4 O12 P4 Zn4 -","2","1","","Xun-Gao Liu; Song-Song Bao; Yi-Zhi Li; Li-Min Zheng","Polymorphism in Homochiral Zinc Phosphonates","Inorganic Chemistry","2008","47","","5525","5527","10.1021/ic800663t","","","0.71073","MoKα","","0.0554","0.0435","","","0.0875","0.0904","","","","","","0.934","","","","has coordinates,has disorder","179094","2020-10-21","18:00:00",""
"4305678","9.9812","0.0011","8.961","0.002","13.9031","0.0014","90","","107.504","0.002","90","","1185.9","0.3","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl N2 O6 P2 Zn2 -","- C18 H25 Cl N2 O6 P2 Zn2 -","- C36 H50 Cl2 N4 O12 P4 Zn4 -","2","1","","Xun-Gao Liu; Song-Song Bao; Yi-Zhi Li; Li-Min Zheng","Polymorphism in Homochiral Zinc Phosphonates","Inorganic Chemistry","2008","47","","5525","5527","10.1021/ic800663t","","","0.71073","MoKα","","0.0775","0.0623","","","0.137","0.1414","","","","","","1.093","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305738","35.376","0.007","24.484","0.005","36.769","0.007","90","","110.87","0.03","90","","29758","12","89","2","89","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C481 H460 Mn20 N41 O80 -","- C480 Mn20 N41 O80 -","- C960 Mn40 N82 O160 -","2","1","","Wenlong Liu; Kyungjin Lee; Mira Park; Rohith P. John; Dohyun Moon; Yang Zou; Xinfang Liu; Hyeong-Cheol Ri; Ghyung Hwa Kim; Myoung Soo Lah","Novel 48-Membered Hexadecanuclear and 60-Membered Icosanuclear Manganese Metallamacrocycles","Inorganic Chemistry","2008","47","","8807","8812","10.1021/ic800708z","","","0.77","synchrotron","","0.175","0.103","","","0.2684","0.308","","","","","","0.861","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305787","7.0347","0.0002","7.4802","0.0002","7.3586","0.0003","90","","117.965","0.001","90","","342","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 Mg N2 O5 -","- C5 H4 Mg N2 O5 -","- C10 H8 Mg2 N4 O10 -","2","1","","K. L. Gurunatha; Kazuhiro Uemura; Tapas Kumar Maji","Temperature- and Stoichiometry-Controlled Dimensionality in a Magnesium 4,5-Imidazoledicarboxylate System with Strong Hydrophilic Pore Surfaces","Inorganic Chemistry","2008","47","","6578","6580","10.1021/ic8007377","","","0.71073","MoKα","","0.0308","0.0289","","","0.0733","0.0744","","","","","","1.037","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305829","6.7537","0.0014","10.797","0.002","10.748","0.002","90","","107.85","0.03","90","","746","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl2 N2 O3 Re -","- C11 H15 Cl2 N2 O3 Re -","- C22 H30 Cl4 N4 O6 Re2 -","2","1","","Sucharita Basak; Kajal Krishna Rajak","Synthesis, Structure, and Spectroscopic Properties of Chiral Oxorhenium(V) Complexes Incorporating Polydentate Ligands Derived froml-Amino Acids: A Density Functional Theory/Time-Dependent Density Functional Theory Investigation","Inorganic Chemistry","2008","47","","8813","8822","10.1021/ic800764n","","","0.71073","MoKα","","0.0288","0.0283","","","0.0723","0.0727","","","","","","1.054","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305901","13.053","0.002","17.422","0.004","13.2817","0.0015","90","","114.184","0.002","90","","2755.3","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 N6 O41 P W12 -","- C24 H23 N6 O41 P W12 -","- C48 H46 N12 O82 P2 W24 -","2","1","","Yi-Ming Xie; Qi-Sheng Zhang; Zhen-Guo Zhao; Xiao-Yuan Wu; Shan-Ci Chen; Can-Zhong Lu","New Optical Supramolecular Compound Constructed from a Polyoxometalate Cluster and an Organic Substrate","Inorganic Chemistry","2008","47","","8086","8090","10.1021/ic800827a","","","0.71073","MoKα","","0.0545","0.0494","","","0.1125","0.1154","","","","","","1.02","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305996","11.555","0.0004","12.4293","0.0004","12.1149","0.0005","90","","97.721","0.002","90","","1724.17","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 N O P Pt -","- C18 H22 N O P Pt -","- C72 H88 N4 O4 P4 Pt4 -","4","2","","Roberto Pattacini; Günter Margraf; Abdelatif Messaoudi; Nicola Oberbeckmann-Winter; Pierre Braunstein","Formation of P-C Bonds under Unexpectedly Mild Conditions. Phosphoryl Migration and Metal Coordination of Diphenylphosphinomethyl-oxazolines and -thiazolines","Inorganic Chemistry","2008","47","","9886","9897","10.1021/ic800934h","","x-ray","0.71073","MoKα","","0.0519","0.0466","","","0.1117","0.1196","","","","","","1","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4306036","10.267","0.006","13.853","0.008","19.376","0.01","90","","96.841","0.013","90","","2736","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H76 Ag4 N16 Ni2 O2 -","- C40 H76 Ag4 N16 Ni2 O2 -","- C80 H152 Ag8 N32 Ni4 O4 -","2","1","","Xiao-Dan Zheng; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","The Supramolecular Isomerism Based on Argentophilic Interactions: The Construction of Helical Chains with Defined Right-Handed and Left-Handed Helicity","Inorganic Chemistry","2008","47","","10858","10865","10.1021/ic8009578","","","0.71073","MoKα","","0.1577","0.06","","","0.1044","0.1379","","","","","","1.031","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306037","10.294","0.005","13.873","0.007","19.466","0.01","90","","96.916","0.009","90","","2760","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H76 Ag4 N16 Ni2 O2 -","- C40 H76 Ag4 N16 Ni2 O2 -","- C80 H152 Ag8 N32 Ni4 O4 -","2","1","","Xiao-Dan Zheng; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","The Supramolecular Isomerism Based on Argentophilic Interactions: The Construction of Helical Chains with Defined Right-Handed and Left-Handed Helicity","Inorganic Chemistry","2008","47","","10858","10865","10.1021/ic8009578","","","0.71073","MoKα","","0.1375","0.0602","","","0.0879","0.1076","","","","","","1","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306065","20.031","0.003","10.6339","0.0009","20.72","0.003","90","","109.73","0.02","90","","4154.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H58 Cu N2 O6 -","- C44 H58 Cu N2 O6 -","- C176 H232 Cu4 N8 O24 -","4","2","","Chandan Mukherjee; Ulrich Pieper; Eberhard Bothe; Vinzenz Bachler; Eckhard Bill; Thomas Weyhermüller; Phalguni Chaudhuri","Ligand-Derived Oxidase Activity. Catalytic Aerial Oxidation of Alcohols (Including Methanol) by Cu(II)-Diradical Complexes","Inorganic Chemistry","2008","47","","8943","8956","10.1021/ic8009767","","","0.71073","MoKα","","0.0724","0.0441","","","0.0871","0.0959","","","","","","0.984","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306129","9.1464","0.0014","27.001","0.004","9.962","0.0015","90","","103.817","0.002","90","","2389","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 B2 Fe2 N22 Ni -","- C38 H52 B2 Fe2 N22 Ni -","- C76 H104 B4 Fe4 N44 Ni2 -","2","1","","Cai-Feng Wang; Zhi-Guo Gu; Xiao-Mei Lu; Jing-Lin Zuo; Xiao-Zeng You","Ferroelectric Heterobimetallic Clusters with Ferromagnetic Interactions","Inorganic Chemistry","2008","47","","7957","7959","10.1021/ic801049e","","","0.71073","MoKα","","0.0464","0.0453","","","0.1119","0.1128","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306130","9.1629","0.0008","27.033","0.002","9.9552","0.0009","90","","103.89","0.001","90","","2393.8","0.3","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 B2 Fe2 N22 Ni -","- C38 H52 B2 Fe2 N22 Ni -","- C76 H104 B4 Fe4 N44 Ni2 -","2","1","","Cai-Feng Wang; Zhi-Guo Gu; Xiao-Mei Lu; Jing-Lin Zuo; Xiao-Zeng You","Ferroelectric Heterobimetallic Clusters with Ferromagnetic Interactions","Inorganic Chemistry","2008","47","","7957","7959","10.1021/ic801049e","","","0.71073","MoKα","","0.0712","0.0639","","","0.1427","0.1443","","","","","","1.098","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306189","12.594","0.003","20.877","0.004","17.576","0.004","90","","106.06","0.03","90","","4440.8","1.8","193.15","","193.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H40 Cu2 Mo2 N2 P2 S8 -","- C39 H40 Cu2 Mo2 N2 P2 S8 -","- C156 H160 Cu8 Mo8 N8 P8 S32 -","4","2","","Zhen-Hong Wei; Hong-Xi Li; Wen-Hua Zhang; Zhi-Gang Ren; Yong Zhang; Jian-Ping Lang; Brendan F. Abrahams","Construction of Symmetric and Asymmetric Mo/S/Cu Clusters from a Cluster Precursor [Et4N]2[(edt)2Mo2S2(μ-S)2] (edt = Ethanedithiolate)","Inorganic Chemistry","2008","47","","10461","10468","10.1021/ic801100g","","","0.71073","MoKα","","0.045","0.0415","","","0.091","0.0925","","","","","","1.058","","","","has coordinates,has disorder","179099","2020-10-21","18:00:00",""
"4306340","7.84","0.0003","14.8979","0.0006","9.4679","0.0003","90","","103.84","0.002","90","","1073.74","0.07","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl2 N2 O Pd -","- C22 H22 Cl2 N2 O Pd -","- C44 H44 Cl4 N4 O2 Pd2 -","2","1","","Elizabeth T. J. Strong; Steven A. Cardile; Allison L. Brazeau; Michael C. Jennings; Robert McDonald; Nathan D. Jones","Chiral, Hemilabile Palladium(II) Complexes of Tridentate Oxazolidines, Including C2-Symmetric ""Pincers""","Inorganic Chemistry","2008","47","","10575","10586","10.1021/ic8011926","","","0.71073","MoKα","","0.029","0.0259","","","0.0533","0.0545","","","","","","1.041","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4306405","9.3719","0.0004","10.3163","0.0004","9.6044","0.0004","90","","93.592","0.002","90","","926.76","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl N3 O4 Pt -","- C15 H26 Cl N3 O4 Pt -","- C30 H52 Cl2 N6 O8 Pt2 -","2","1","","José Ruiz; Venancio Rodríguez; Natalia Cutillas; Gregorio López; Delia Bautista","Acetonimine and 4-Imino-2-methylpentan-2-amino Platinum(II) Complexes: Synthesis and in Vitro Antitumor Activity","Inorganic Chemistry","2008","47","","10025","10036","10.1021/ic8012359","","","0.71073","MoKα","","0.0125","0.012","","","0.0288","0.0291","","","","","","0.908","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306422","12.4138","0.0015","14.9548","0.0018","13.2278","0.0016","90","","91.892","0.003","90","","2454.3","0.5","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Ti Cluster","","","- C30 H70 N12 O11 Ti4 -","- C30 H70 N12 O11 Ti4 -","- C60 H140 N24 O22 Ti8 -","2","1","","Sukesh Shekar; Brendan Twamley; Rudolf J. Wehmschulte","Facile Synthesis of Monoazidotitanium Isopropoxides","Inorganic Chemistry","2008","47","","10804","10806","10.1021/ic8012415","","","0.71073","MoKα","","0.04","0.0385","","","0.1021","0.1045","","","","","","1.082","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306436","8.3354","0.0015","13.535","0.002","12.18","0.002","90","","90.74","0.003","90","","1374","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","(OPy)2TiCl2","","","- C12 H12 Cl2 N2 O2 Ti -","- C12 H12 Cl2 N2 O2 Ti -","- C48 H48 Cl8 N8 O8 Ti4 -","4","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez; Robin M. Sewell; Todd M. Alam; Sarah K. McIntyre","Stepwise Modification of Titanium Alkoxy Chloride Compounds by Pyridine Carbinol","Inorganic Chemistry","2008","47","","10708","10717","10.1021/ic801249b","","","0.71073","MoKα","","0.0694","0.0513","","","0.0797","0.087","","","","","","1.009","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306575","8.8583","0.0001","17.9522","0.0002","11.7008","0.0001","90","","100.045","0.001","90","","1832.21","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H35.4 Mn2 N6 O10.4 -","- C38 H35.39 Mn2 N6 O10.397 -","- C76 H70.78 Mn4 N12 O20.794 -","2","1","","Areg Zingiryan; Jian Zhang; Xianhui Bu","Cooperative Self-Assembly of Chirall-Malate and Achiral Succinate in the Formation of a Three-Dimensional Homochiral Framework","Inorganic Chemistry","2008","47","","8607","8609","10.1021/ic801404p","","","0.71073","MoKα","","0.0738","0.046","","","0.1093","0.1222","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306625","9.6708","0.0019","10.629","0.002","14.655","0.003","90","","96.64","0.03","90","","1496.3","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H36 Co2 Ga2 N2 O6 -","- C24 H36 Co2 Ga2 N2 O6 -","- C48 H72 Co4 Ga4 N4 O12 -","2","1","","Annekathrin Seifert; Gerald Linti","2,2,6,6-Tetramethylpiperidinogallium as a Terminal and Bridging Ligand in Homo- and Heteroleptic Chromium, Nickel, and Cobalt Complexes","Inorganic Chemistry","2008","47","","11398","11404","10.1021/ic801437n","","","0.71073","MoKα","","0.0453","0.0402","","","0.1053","0.1083","","","","","","0.992","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306631","11.0005","0.0006","31.5851","0.0018","11.2779","0.0006","90","","112.417","0.001","90","","3622.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H43 Bi O5 -","- C46 H43 Bi O5 -","- C184 H172 Bi4 O20 -","4","2","","Lihua Liu; Lev N. Zakharov; James A. Golen; Arnold L. Rheingold; Tracy A. Hanna","Synthesis and Characterization of Bismuth(III) and Antimony(III) Calixarene Complexes","Inorganic Chemistry","2008","47","","11143","11153","10.1021/ic801445m","","","0.71073","MoKα","","0.028","0.0254","","","0.0492","0.0498","","","","","","0.789","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306644","11.0006","0.0005","8.8851","0.0004","14.2221","0.0007","90","","100.342","0.001","90","","1367.5","0.11","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H44 N8 Zn2 -","- C20 H44 N8 Zn2 -","- C40 H88 N16 Zn4 -","2","1","","Saba Javed; David M. Hoffman","Synthesis of Zinc Hydrazonide Complexes","Inorganic Chemistry","2008","47","","11984","11992","10.1021/ic801451v","","","0.71073","MoKα","","0.0192","0.018","","","0.047","0.0476","","","","","","1.028","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306726","10.8808","0.0016","17.757","0.003","16.692","0.002","90","","104.511","0.003","90","","3122.2","0.8","193","2","193","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C58 H54 B Cl6 F4 Fe2 N O2 P4 S2 -","- C58 H54 B Cl6 F4 Fe2 N O2 P4 S2 -","- C116 H108 B2 Cl12 F8 Fe4 N2 O4 P8 S4 -","2","1","","Matthew T. Olsen; Aaron K. Justice; Frédéric Gloaguen; Thomas B. Rauchfuss; Scott R. Wilson","New Nitrosyl Derivatives of Diiron Dithiolates Related to the Active Site of the [FeFe]-Hydrogenases","Inorganic Chemistry","2008","47","","11816","11824","10.1021/ic801542w","","","0.71073","MoKα","","0.1165","0.061","","","0.1256","0.1491","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306765","6.7399","0.0004","8.6102","0.0005","13.8426","0.0009","90","","93.571","0.001","90","","801.75","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H14 Ag F3 O3 S4 Si -","- C7 H14 Ag F3 O3 S4 Si -","- C14 H28 Ag2 F6 O6 S8 Si2 -","2","1","","Chinwon Rim; Hongming Zhang; David Y. Son","Silyl-Substituted Thioether Ligands and Their Ag(I) Complexes","Inorganic Chemistry","2008","47","","11993","12003","10.1021/ic801580t","","","0.71073","MoKα","","0.035","0.033","","","0.08","0.081","","","","","","1.101","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306793","5.0875","0.001","10.437","0.002","9.5129","0.0019","90","","90.683","0.004","90","","505.08","0.17","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H11 Mn N2 O4 P -","- C7 H11 Mn N2 O4 P -","- C14 H22 Mn2 N4 O8 P2 -","2","1","","Shou-Zeng Hou; Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng","Chiral-Layered Metal Phosphonate Formed via Spontaneous Resolution Showing Dehydration-Induced Antiferromagnetic to Ferromagnetic Transformation","Inorganic Chemistry","2008","47","","10211","10213","10.1021/ic801655a","","","0.71073","MoKα","","0.0758","0.0638","","","0.1266","0.1289","","","","","","1.087","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306848","11.61","0.01","19.11","0.03","24.36","0.02","90","","98.29","0.04","90","","5348","11","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H48 Cu2 I2 P4 -","- C60 H48 Cu2 I2 P4 -","- C240 H192 Cu8 I8 P16 -","4","2","","Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene","Inorganic Chemistry","2007","46","","1992","2001","10.1021/ic0608086","","","0.7107","MoKα","","","0.032","","","","0.067","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306849","11.2","0.01","18.73","0.02","12.12","0.01","90","","97.59","0.04","90","","2520","4","100.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H48 Br2 Cu2 P4 -","- C60 H48 Br2 Cu2 P4 -","- C120 H96 Br4 Cu4 P8 -","2","1","","Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene","Inorganic Chemistry","2007","46","","1992","2001","10.1021/ic0608086","","","0.7107","MoKα","","","0.045","","","","0.109","","","","","","1.396","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306850","11.137","0.008","18.74","0.02","12.303","0.008","90","","97.45","0.03","90","","2546","4","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl2 Cu2 P4 -","- C60 H48 Cl2 Cu2 P4 -","- C120 H96 Cl4 Cu4 P8 -","2","1","","Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene","Inorganic Chemistry","2007","46","","1992","2001","10.1021/ic0608086","","","0.7107","MoKα","","","0.042","","","","0.052","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306851","15.11","0.01","14.67","0.01","18.33","0.02","90","","99.6","0.04","90","","4006","6","100.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 Cu I P3 -","- C48 H39 Cu I P3 -","- C192 H156 Cu4 I4 P12 -","4","2","","Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene","Inorganic Chemistry","2007","46","","1992","2001","10.1021/ic0608086","","","0.7107","MoKα","","","0.037","","","","0.082","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306864","10.0407","0.001","16.386","0.0016","11.8742","0.0012","90","","108.979","0.002","90","","1847.4","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","HOLJV49","","","- C38 H59 Fe N3 -","- C38 H59 Fe N3 -","- C76 H118 Fe2 N6 -","2","1","","Javier Vela; Jordi Cirera; Jeremy M. Smith; Rene J. Lachicotte; Christine J. Flaschenriem; Santiago Alvarez; Patrick L. Holland","Quantitative Geometric Descriptions of the Belt Iron Atoms of the Iron-Molybdenum Cofactor of Nitrogenase and Synthetic Iron(II) Model Complexes","Inorganic Chemistry","2007","46","","60","71","10.1021/ic0609148","","","0.71073","MoKα","","0.0339","0.0292","","","0.0699","0.0721","","","","","","1.035","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306865","10.3029","0.0007","16.3575","0.0011","11.8844","0.0008","90","","104.83","0.001","90","","1936.2","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","HOLJV54","","","- C39 H61 Fe N3 -","- C39 H61 Fe N3 -","- C78 H122 Fe2 N6 -","2","1","","Javier Vela; Jordi Cirera; Jeremy M. Smith; Rene J. Lachicotte; Christine J. Flaschenriem; Santiago Alvarez; Patrick L. Holland","Quantitative Geometric Descriptions of the Belt Iron Atoms of the Iron-Molybdenum Cofactor of Nitrogenase and Synthetic Iron(II) Model Complexes","Inorganic Chemistry","2007","46","","60","71","10.1021/ic0609148","","","0.71073","MoKα","","0.0349","0.0315","","","0.0758","0.0772","","","","","","1.041","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306911","13.303","0.007","9.422","0.004","17.205","0.008","90","","94.45","0.05","90","","2150","1.8","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O5 S U -","- C22 H20 N2 O5 S U -","- C88 H80 N8 O20 S4 U4 -","4","2","","Koichiro Takao; Yasuhisa Ikeda","Structural Characterization and Reactivity of UO2(salophen)L and [UO2(salophen)]2: Dimerization of UO2(salophen) Fragments in Noncoordinating Solvents (salophen =N,N'-Disalicylidene-o-phenylenediaminate, L =N,N-Dimethylformamide, Dimethyl Sulfoxide)","Inorganic Chemistry","2007","46","","1550","1562","10.1021/ic0611950","","","0.71075","MoKα","","0.0313","0.0267","","","0.0658","0.0677","","","","","","1.088","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306917","10.9918","0.0004","20.1329","0.0008","16.9331","0.0006","90","","101.717","0.002","90","","3669.2","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H42 N3 O4 P Pt -","- C40 H42 N3 O4 P Pt -","- C160 H168 N12 O16 P4 Pt4 -","4","2","","Sean E. Durran; Mark R. J. Elsegood; Shelly R. Hammond; Martin B. Smith","Coordination Studies of a New Unsymmetrical κ4-PNN'N''-Tetradentate Ligand: Stepwise Formation and Structural Characterization","Inorganic Chemistry","2007","46","","2755","2766","10.1021/ic061196s","","","0.71073","MoKα","","0.0385","0.0282","","","0.0469","0.0503","","","","","","0.869","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306968","13.4904","0.0012","14.0237","0.0012","18.0199","0.0016","90","","107.065","0.002","90","","3259","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[V3(m3-O)(m-OOCCH2Cl)6(H2O)3][CF3SO3]H2O (7)","","","- C13 H20 Cl6 F3 O20 S V3 -","- C13 H12 Cl6 F3 O19 S V3 -","- C52 H48 Cl24 F12 O76 S4 V12 -","4","2","","Riya Mukherjee; Brenda A. Dougan; Fiona H. Fry; Scott D. Bunge; Christopher J. Ziegler; Nicola E. Brasch","Structural and Spectroscopic Evidence for the Formation of Trinuclear and Tetranuclear Vanadium(III)/Carboxylate Complexes of Acetate and Related Derivatives in Aqueous Solution","Inorganic Chemistry","2007","46","","1575","1585","10.1021/ic0613210","","","0.71073","MoKα","","0.1512","0.0751","","","0.1582","0.1946","","","","","","0.83","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306989","11.4905","0.0015","11.7732","0.0015","17.234","0.002","90","","102.564","0.002","90","","2275.6","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","eisaa01","","","- C46 H32 F6 Ir O2 P2 Sb -","- C46 H32 F6 Ir O2 P2 Sb -","- C92 H64 F12 Ir2 O4 P4 Sb2 -","2","1","","Abdurrahman Ç. Atesin; Simon B. Duckett; Christine Flaschenriem; William W. Brennessel; Richard Eisenberg","Diastereoselective Oxidative Addition of Dihydrogen to IrI(CO)((R)-BINAP) and [Ir(CO)2((R)-BINAP)][SbF6]","Inorganic Chemistry","2007","46","","1196","1204","10.1021/ic061471a","","","0.71073","MoKα","","0.0438","0.0343","","","0.0796","0.0825","","","","","","1.013","","","","has coordinates,has disorder","179107","2020-10-21","18:00:00",""
"4306997","9.864","0.004","15.393","0.008","7.995","0.004","90","","110.32","0.03","90","","1138.4","1","297","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H32 Cu N8 Ni O2 -","- C16 H28 Cu N8 Ni O2 -","- C32 H56 Cu2 N16 Ni2 O4 -","2","1","","Jean-Sébastien M. Lehn; Saba Javed; David M. Hoffman","Synthesis of Zirconium, Hafnium, and Tantalum Complexes with Sterically Demanding Hydrazide Ligands","Inorganic Chemistry","2007","46","","993","1000","10.1021/ic061483w","","","0.71073","MoKα","","0.0588","0.0392","","","0.1049","0.1214","","","","","","0.885","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306998","9.899","0.003","15.541","0.004","8.102","0.002","90","","111.02","0.02","90","","1163.5","0.6","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H32 Cu N8 O2 Pt -","- C16 H28 Cu N8 O2 Pt -","- C32 H56 Cu2 N16 O4 Pt2 -","2","1","","Jean-Sébastien M. Lehn; Saba Javed; David M. Hoffman","Synthesis of Zirconium, Hafnium, and Tantalum Complexes with Sterically Demanding Hydrazide Ligands","Inorganic Chemistry","2007","46","","993","1000","10.1021/ic061483w","","","0.71073","MoKα","","0.0339","0.0278","","","0.0785","0.0869","","","","","","0.769","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4307217","6.8158","0.0006","10.9599","0.0009","12.8039","0.001","90","","95.531","0.005","90","","952","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H20 B10 F3 N O3 S -","- C10 H20 B10 F3 N O3 S -","- C20 H40 B20 F6 N2 O6 S2 -","2","1","","Andrea F. Armstrong; John F. Valliant","Microwave-Assisted Synthesis of Tricarbonyl Rhenacarboranes: Steric and Electronic Effects on the 1,2 →1,7 Carborane Cage Isomerization","Inorganic Chemistry","2007","46","","2148","2158","10.1021/ic0617543","","","1.54178","CuKα","","0.0429","0.0417","","","0.1121","0.1138","","","","","","1.019","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307225","8.2533","0.0018","6.8406","0.0018","18.256","0.006","90","","101.371","0.015","90","","1010.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6.67 H4 Cu N0.67 O2.67 Re0.33 -","- C6.66667 H4 Cu N0.666667 O2.66667 Re0.333333 -","- C40 H24 Cu6 N4 O16 Re2 -","6","3","","Haisheng Lin; Paul A. Maggard","Copper(I)-Rhenate Hybrids: Syntheses, Structures, and Optical Properties","Inorganic Chemistry","2007","46","","1283","1290","10.1021/ic061767g","","","0.71073","MoKα","","0.0301","0.0291","","","0.0785","0.0798","","","","","","1.029","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307241","8.3086","0.0004","10.3366","0.0003","14.0153","0.0007","90","","100.247","0.003","90","","1184.47","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O14 U2 -","- C16 H24 N2 O14 U2 -","- C32 H48 N4 O28 U4 -","2","1","","Pierre Thuéry","Uranyl Ion Complexation by Citric and Citramalic Acids in the Presence of Diamines","Inorganic Chemistry","2007","46","","2307","2315","10.1021/ic061772k","","","0.71073","MoKα","","0.0448","0.0442","","","0.1157","0.1161","","","","","","1.055","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307325","8.4196","0.0009","12.2966","0.0018","9.8194","0.0008","90","","109.048","0.007","90","","961","0.2","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C7 H24 Cd Cl4 Co N5 O3 S -","- C7 H22 Cd Cl4 Co N5 O3 S -","- C14 H44 Cd2 Cl8 Co2 N10 O6 S2 -","2","1","","Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno","Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center","Inorganic Chemistry","2007","46","","1343","1353","10.1021/ic061868e","","","0.71069","MoKα","","0.0266","0.0219","","","0.0538","0.0553","","","","","","1.07","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307326","8.5719","0.0015","12.6077","0.0016","10.165","0.002","90","","108.481","0.015","90","","1041.9","0.3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C7 H24 Br4 Cd Co N5 O3 S -","- C7 H22 Br4 Cd Co N5 O3 S -","- C14 H44 Br8 Cd2 Co2 N10 O6 S2 -","2","1","","Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno","Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center","Inorganic Chemistry","2007","46","","1343","1353","10.1021/ic061868e","","","0.71069","MoKα","","0.0625","0.0319","","","0.0687","0.0762","","","","","","1.022","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307328","8.773","0.001","15.0669","0.0018","8.9374","0.0011","90","","102.767","0.009","90","","1152.2","0.2","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C7 H24 Cd Co I4 N5 O3 S -","- C7 H22 Cd Co I4 N5 O3 S -","- C14 H44 Cd2 Co2 I8 N10 O6 S2 -","2","1","","Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno","Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center","Inorganic Chemistry","2007","46","","1343","1353","10.1021/ic061868e","","","0.71069","MoKα","","0.035","0.028","","","0.0721","0.0755","","","","","","1.064","","","","has coordinates,has disorder","179111","2020-10-21","18:00:00",""
"4307340","8.7605","0.0003","14.7549","0.0005","15.04","0.0006","90","","91.709","0.004","90","","1943.21","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H38 Co Fe N O S4 -","- C42 H38 Co Fe N O S4 -","- C84 H76 Co2 Fe2 N2 O2 S8 -","2","1","","Prasanta Ghosh; Keira Stobie; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Michael D. Ward; Jon A. McCleverty; Karl Wieghardt","Electronic Structure of Nitric Oxide Adducts of Bis(diaryl-1,2-dithiolene)iron Compounds: Four-Membered Electron-Transfer Series [Fe(NO)(L)2]z (z= 1+, 0, 1-, 2-)","Inorganic Chemistry","2007","46","","522","532","10.1021/ic061874a","","","0.71073","MoKα","","0.0299","0.0274","","","0.0631","0.0644","","","","","","1.044","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307527","9.4708","0.0009","12.1353","0.0008","12.129","0.0011","90","","100.544","0.003","90","","1370.5","0.2","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","[(epppa)Zn](ClO4)2","","","- C21 H30 Cl2 N4 O9 S Zn -","- C21 H30 Cl2 N4 O9 S Zn -","- C42 H60 Cl4 N8 O18 S2 Zn2 -","2","1","","Gajendrasingh K. Ingle; Magdalena M. Makowska-Grzyska; Ewa Szajna-Fuller; Indranil Sen; John C. Price; Atta M. Arif; Lisa M. Berreau","Influence of the Chelate Ligand Structure on the Amide Methanolysis Reactivity of Mononuclear Zinc Complexes","Inorganic Chemistry","2007","46","","1471","1480","10.1021/ic062020t","","","0.71073","MoKα","","0.1277","0.0767","","","0.1661","0.1949","","","","","","1.04","","","","has coordinates,has disorder","179113","2020-10-21","18:00:00",""
"4307635","6.8621","0.0004","7.9851","0.0004","10.0983","0.0005","90","","99.36","0.001","90","","545.96","0.05","240","","240","","","","","","","","","4","P 1 21 1","P 2yb","4","hydrazinium copper sulfide","? hydrazinium copper sulfide","","- Cu7 H9 N4 S4 -","- Cu7 H10 N4 S4 -","- Cu14 H20 N8 S8 -","2","1","","David B. Mitzi","N4H9Cu7S4: A Hydrazinium-Based Salt with a Layered Cu7S4-Framework","Inorganic Chemistry","2007","46","","926","931","10.1021/ic0621291","","","0.7093","MolybdenumKα","","0.038","0.038","","0.046","0.046","","","","","1.79","1.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307685","6.665","0.002","14.74","0.005","8.779","0.003","90","","91.498","0.006","90","","862.2","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 N3 O4 Re -","- C16 H14 N3 O4 Re -","- C32 H28 N6 O8 Re2 -","2","1","","Luciano Cuesta; Miguel A. Huertos; Dolores Morales; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Amador Menéndez-Velázquez; Santiago García-Granda","Synthesis, Structure, and Reactivity of Mononuclear Re(I) Oximato Complexes","Inorganic Chemistry","2007","46","","2836","2845","10.1021/ic062168c","","","0.71073","MoKα","","0.0182","0.0171","","","0.0415","0.042","","","","","","1.016","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307695","6.771","0.0018","10.205","0.0015","10.2277","0.0014","90","","103.509","0.017","90","","687.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Cu N4 O4 -","- C12 H18 Cu N4 O4 -","- C24 H36 Cu2 N8 O8 -","2","1","","Patricia Antunes; Rita Delgado; Michael G. B. Drew; Vitor Félix; Helmut Maecke","Copper Complexes of New Benzodioxotetraaza Macrocycles with Potential Applications in Nuclear Medicine","Inorganic Chemistry","2007","46","","3144","3153","10.1021/ic062172o","","","0.71073","MoKα","","0.0864","0.057","","","0.114","0.1207","","","","","","0.961","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307722","12.225","0.002","14.029","0.003","18.298","0.004","90","","108.75","0.03","90","","2971.6","1.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H96 N4 O26 V4 -","- C40 H96 N4 O26 V4 -","- C80 H192 N8 O52 V8 -","2","1","","Peter Schwendt; Alan S. Tracey; Jozef Tatiersky; Jana Gáliková; Zdirad Žák","Vanadium(V) Tartrato Complexes: Speciation in the H3O+(OH-)/H2VO4-/(2R,3R)-Tartrate System and X-ray Crystal Structures of Na4[V4O8(rac-tart)2].12H2O and (NEt4)4[V4O8((R,R)-tart)2].6H2O (tart = C4H2O64-)","Inorganic Chemistry","2007","46","","3971","3983","10.1021/ic062223h","","","0.71073","MoKα","","0.0703","0.0499","","","0.1173","0.1241","","","","","","0.966","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307779","9.1409","0.0004","13.5467","0.0007","13.5525","0.0007","90","","108.487","0.001","90","","1591.59","0.14","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 Cd8 N12 O23 S5 -","- C8 H12 Cd8 N12 O23 S5 -","- C16 H24 Cd16 N24 O46 S10 -","2","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0166","0.0164","","","0.037","0.0371","","","","","","1.103","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307784","8.8632","0.0012","14.814","0.002","10.0634","0.0014","90","","95.152","0.002","90","","1316","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N8 Ni2 O2 -","- C20 H40 N8 Ni2 O2 -","- C40 H80 N16 Ni4 O4 -","2","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.0399","0.0315","","","0.0696","0.0741","","","","","","1.046","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307785","8.8452","0.0014","14.816","0.003","10.0445","0.0016","90","","95.136","0.003","90","","1311.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N8 Ni2 O2 -","- C20 H40 N8 Ni2 O2 -","- C40 H80 N16 Ni4 O4 -","2","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.1287","0.0563","","","0.083","0.1024","","","","","","0.966","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307786","8.846","0.002","14.828","0.004","10.067","0.002","90","","95.138","0.005","90","","1315.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N8 Ni2 O2 -","- C20 H40 N8 Ni2 O2 -","- C40 H80 N16 Ni4 O4 -","2","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.0475","0.0355","","","0.0696","0.0746","","","","","","1.049","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307787","8.8514","0.0018","14.824","0.003","10.049","0.002","90","","95.148","0.004","90","","1313.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N8 Ni2 O2 -","- C20 H40 N8 Ni2 O2 -","- C40 H80 N16 Ni4 O4 -","2","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.1077","0.0603","","","0.1191","0.1391","","","","","","1.004","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307910","10.3839","0.0001","24.3071","0.0004","13.4799","0.0002","90","","99.749","0.009","90","","3353.23","0.12","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl N O Pt S -","- C17 H18 Cl N O Pt S -","- C136 H144 Cl8 N8 O8 Pt8 S8 -","8","4","","Yulia Yu. Scaffidi-Domianello; Alexey A. Nazarov; Matti Haukka; Markus Galanski; Bernhard K. Keppler; Jacob Schneider; Pingwu Du; Richard Eisenberg; Vadim Yu. Kukushkin","First Example of the Solid-State Thermal Cyclometalation of Ligated Benzophenone Imine Giving Novel Luminescent Platinum(II) Species","Inorganic Chemistry","2007","46","","4469","4482","10.1021/ic062414k","","","0.71073","MoKα","","0.0266","0.0231","","","0.0474","0.0484","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4307993","6.5967","0.0012","7.3749","0.0014","9.7911","0.0018","90","","91.27","0.003","90","","476.22","0.15","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi P2 S6 Tl -","- Bi P2 S6 Tl -","- Bi2 P4 S12 Tl2 -","2","1","","Matthew A. Gave; Christos D. Malliakas; David P. Weliky; Mercouri G. Kanatzidis","Wide Compositional and Structural Diversity in the System Tl/Bi/P/Q (Q = S, Se) and Observation of Vicinal P-Tl J Coupling in the Solid State","Inorganic Chemistry","2007","46","","3632","3644","10.1021/ic062465h","","","0.71073","MoKα","","0.024","0.0229","","","0.0508","0.0513","","","","","","1.099","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4308023","10.0764","0.0003","14.6621","0.0004","33.0584","0.001","90","","97.881","0.002","90","","4838","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H33 I N2 Pd -","- C38 H33 I N2 Pd -","- C228 H198 I6 N12 Pd6 -","6","3","","Liqing Ma; Philip M. Imbesi; James B. Updegraff; Allen D. Hunter; John D. Protasiewicz","Synthesis and Structural Studies of NCN Diimine Palladium Pincer Complexes Bearingm-Terphenyl Scaffolds","Inorganic Chemistry","2007","46","","5220","5228","10.1021/ic062476a","","","0.71073","MoKα","","0.1324","0.0669","","","0.1141","0.1385","","","","","","0.978","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308056","7.1334","0.0007","14.442","0.0014","11.2896","0.0011","90","","103.833","0.001","90","","1129.33","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 O2 P S4 -","- C23 H21 O2 P S4 -","- C46 H42 O4 P2 S8 -","2","1","","Kuppuswamy Arumugam; James E. Bollinger; Mark Fink; James P. Donahue","Preparation and Isolation of Dithiolene Thiophosphoryl Molecules as Stable, Protected Forms of Dithiolene Ligands","Inorganic Chemistry","2007","46","","3283","3288","10.1021/ic0700203","","","0.71073","MoKα","","0.0311","0.0305","","","0.0779","0.0785","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308059","7.5963","0.0017","5.8631","0.0014","19.351","0.005","90","","100.079","0.004","90","","848.6","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 S2 -","- C22 H18 S2 -","- C44 H36 S4 -","2","1","","Kuppuswamy Arumugam; James E. Bollinger; Mark Fink; James P. Donahue","Preparation and Isolation of Dithiolene Thiophosphoryl Molecules as Stable, Protected Forms of Dithiolene Ligands","Inorganic Chemistry","2007","46","","3283","3288","10.1021/ic0700203","","","0.71073","MoKα","","0.0834","0.0621","","","0.1277","0.137","","","","","","1.023","","","","has coordinates,has disorder","179118","2020-10-21","18:00:00",""
"4308153","19.4261","0.0009","9.7061","0.0004","22.1846","0.001","90","","106.477","0.002","90","","4011.2","0.3","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C41.5 H43 As Cl2 N O4 P Pd -","- C41.5 H43 As Cl2 N O4 P Pd -","- C166 H172 As4 Cl8 N4 O16 P4 Pd4 -","4","2","","Maricar L. Bungabong; Kien Wee Tan; Yongxin Li; Selvasothi V. Selvaratnam; Krishna G. Dongol; Pak-Hing Leung","A Novel Asymmetric Hydroarsination Reaction Promoted by a Chiral Organopalladium Complex","Inorganic Chemistry","2007","46","","4733","4736","10.1021/ic0701561","","","0.71073","MoKα","","0.1228","0.0537","","","0.1003","0.1239","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308163","11.8164","0.0012","14.494","0.002","15.89","0.002","90","","108.924","0.002","90","","2574.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H24.5 Cl2 Cu N3.5 O8 S2 -","- C22 H24.5 Cl2 Cu N3.5 O8 S2 -","- C88 H98 Cl8 Cu4 N14 O32 S8 -","4","2","","M. Carla Aragoni; Massimiliano Arca; Andrea Bencini; Alexander J. Blake; Claudia Caltagirone; Greta De Filippo; Francesco A. Devillanova; Alessandra Garau; Thomas Gelbrich; Michael B. Hursthouse; Francesco Isaia; Vito Lippolis; Marta Mameli; Palma Mariani; Barbara Valtancoli; Claire Wilson","Tuning the Selectivity/Specificity of Fluorescent Metal Ion Sensors Based on N2S2 Pyridine-Containing Macrocyclic Ligands by Changing the Fluorogenic Subunit: Spectrofluorimetric and Metal Ion Binding Studies","Inorganic Chemistry","2007","46","","4548","4559","10.1021/ic070169e","","","0.71073","MoKα","","0.0458","0.0412","","","0.094","0.096","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308354","7.3181","0.0012","17.02","0.002","10.5789","0.0017","90","","102.651","0.006","90","","1285.7","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[In2(btc)2(mu-OH)2].2nHpy","","- C28 H20 In2 N2 O14 -","- C28 H18 In2 N2 O14 -","- C56 H36 In4 N4 O28 -","2","1","","Zhengzhong Lin; Feilong Jiang; Lian Chen; Daqiang Yuan; Maochun Hong","New 3-D Chiral Framework of Indium with 1,3,5-Benzenetricarboxylate","Inorganic Chemistry","2005","44","","73","76","10.1021/ic0494962","","","0.71073","MoKα","","0.0747","0.0608","","","0.1301","0.1436","","","","","","1.001","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308421","9.522","0.012","16.6","0.02","14.844","0.018","90","","100.16","0.02","90","","2310","5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H44 Cl2 N6 Ni O10 -","- C50 H44 Cl2 N6 Ni O10 -","- C100 H88 Cl4 N12 Ni2 O20 -","2","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.0888","0.0662","","","0.1482","0.1566","","","","","","1.06","","","","has coordinates,has disorder","210267","2020-10-21","18:00:00",""
"4308423","13.3272","0.001","11.3083","0.0008","15.0979","0.0011","90","","98.027","0.001","90","","2253.1","0.3","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H44 Cl2 N4 O12 Zn -","- C48 H44 Cl2 N4 O12 Zn -","- C96 H88 Cl4 N8 O24 Zn2 -","2","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.065","0.056","","","0.1406","0.1486","","","","","","1.045","","","","has coordinates,has disorder","210267","2020-10-21","18:00:00",""
"4308427","13.7823","0.0009","29.0273","0.0019","16.107","0.0011","90","","100.82","0.001","90","","6329.3","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C73.25 H67.88 N8.13 O3.5 -","- C73.25 H67.875 N8.125 O3.5 -","- C293 H271.5 N32.5 O14 -","4","2","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.1052","0.0656","","","0.1605","0.1974","","","","","","1.003","","","","has coordinates,has disorder","210267","2020-10-21","18:00:00",""
"4308483","8.9348","0.0006","13.1922","0.0012","13.9804","0.0008","90","","99.694","0.005","90","","1624.3","0.2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H52.6 Cl2 N6 Si2 Ti -","- C23 H52.6 Cl2 N6 Si2 Ti -","- C46 H105.2 Cl4 N12 Si4 Ti2 -","2","1","","Claire J. Carmalt; Anne C. Newport; Shane A. O'Neill; Ivan P. Parkin; Andrew J. P. White; David J. Williams","Synthesis of Titanium(IV) Guanidinate Complexes and the Formation of Titanium Carbonitride via Low-Pressure Chemical Vapor Deposition","Inorganic Chemistry","2005","44","","615","619","10.1021/ic049013u","","","1.54178","CuKα","","0.0408","0.0367","","","0.0927","0.0948","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308492","13.8785","0.0013","24.3573","0.0013","16.9363","0.0017","90","","110.288","0.004","90","","5370","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H129 N9 Na3 Nd O18 S12 -","- C93 H129 N9 Na3 Nd O18 S12 -","- C186 H258 N18 Na6 Nd2 O36 S24 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks","Inorganic Chemistry","2005","44","","584","593","10.1021/ic049055i","","","0.71073","MoKα","","0.1283","0.0687","","","0.1422","0.1703","","","","","","0.973","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308508","12.6894","0.0009","19.3299","0.0013","22.3243","0.0015","90","","91.48","0.001","90","","5474","0.6","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H70 Cl N17 Ni4 O9 S4 -","- C37 H70 Cl N17 Ni4 O9 S4 -","- C148 H280 Cl4 N68 Ni16 O36 S16 -","4","2","","Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow","Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide","Inorganic Chemistry","2005","44","","519","528","10.1021/ic049251p","","","0.71073","MoKα","","0.0714","0.0658","","","0.1654","0.1686","","","","","","1.107","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308511","16.391","0.002","16.515","0.002","18.416","0.002","90","","103.902","0.002","90","","4839.1","1","106","2","106","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C86 H142 Cl N11 Ni4 O12 S8 -","- C86 H142 Cl N11 Ni4 O12 S8 -","- C172 H284 Cl2 N22 Ni8 O24 S16 -","2","1","","Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow","Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide","Inorganic Chemistry","2005","44","","519","528","10.1021/ic049251p","","","0.71073","MoKα","","0.0742","0.0509","","","0.1216","0.1346","","","","","","1.036","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308518","11.7549","0.0016","19.06","0.003","16.564","0.002","90","","110.199","0.002","90","","3482.9","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","03024b","","","- C61 H60 F9 Fe3 N14 O12 S3 -","- C61 H60 F9 Fe3 N14 O12 S3 -","- C122 H120 F18 Fe6 N28 O24 S6 -","2","1","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.0706","0.0565","","","0.1316","0.1379","","","","","","1.046","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308592","7.457","0.001","10.416","0.001","11.07","0.001","90","","109.63","0.01","90","","809.86","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Mo N2 O4 S -","- C15 H16 Mo N2 O4 S -","- C30 H32 Mo2 N4 O8 S2 -","2","1","","Andrea Erxleben","Interaction of Molybdocene Dichloride with Cysteine-Containing Peptides: Coordination, Regioselective Hydrolysis, and Intramolecular Aminolysis","Inorganic Chemistry","2005","44","","1082","1094","10.1021/ic048824v","","","0.71069","MoKα","","0.0339","0.0255","","0.0929","0.0527","","","","0.979","1.035","1.035","","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4308674","9.9973","0.0004","13.6501","0.0006","17.4569","0.0008","90","","94.797","0.001","90","","2373.9","0.18","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2a) (Cd(DMP)3(N(Si(CH3)3)2)(py)3)","","","- C45 H60 Cd2 N4 O3 Si2 -","- C45 H60 Cd2 N4 O3 Si2 -","- C90 H120 Cd4 N8 O6 Si4 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0314","0.0283","","","0.0588","0.0612","","","","","","1.041","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308692","11.758","0.002","22.32","0.004","14.171","0.003","90","","94.503","0.004","90","","3707.5","1.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","(7) [Dy3(DMP)9(NH3)2]*(tol)","","","- C79 H95 Dy3 N2 O9 -","- C79 H95 Dy3 N2 O9 -","- C158 H190 Dy6 N4 O18 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.1832","0.0963","","","0.1485","0.1806","","","","","","0.991","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4308696","9.732","0.0013","19.33","0.003","12.1195","0.0016","90","","109.628","0.002","90","","2147.4","0.5","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(13) Dy(DIP)3(THF)3","","","- C44 H67 Dy O5 -","- C44 H67 Dy O5 -","- C88 H134 Dy2 O10 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.028","0.0234","","","0.0493","0.0507","","","","","","1.018","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308699","11.2323","0.0008","31.769","0.002","11.548","0.0008","90","","104.997","0.001","90","","3980.4","0.5","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(16) Dy(DBP)3","","","- C84 H126 Dy2 O6 -","- C84 H126 Dy2 O6 -","- C168 H252 Dy4 O12 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0562","0.0466","","","0.084","0.0887","","","","","","1.027","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308703","14.5532","0.0015","16.4016","0.0017","14.8835","0.0015","90","","115.679","0.001","90","","3201.8","0.6","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","(20) Dy(TPS)3(THF)3*(THF)","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.03","0.0279","","","0.0633","0.0641","","","","","","0.999","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308726","10.377","0.005","18.774","0.009","16.048","0.007","90","","105.06","0.06","90","","3019","3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H63 Cd Cl2 N6 O15.5 -","- C50 H62 Cd Cl2 N6 O15.5 -","- C100 H124 Cd2 Cl4 N12 O31 -","2","1","","Chuan-De Wu; Wenbin Lin","Self-Assembly of Homochiral Porous Solids Based on 1D Cadmium(II) Coordination Polymers","Inorganic Chemistry","2005","44","","1178","1180","10.1021/ic048671b","","","0.71073","MoKα","","","0.0908","","","0.2316","0.2606","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308839","12.3471","0.0014","11.8502","0.0013","12.9845","0.0002","90","","94.7052","0.0004","90","","1893.4","0.3","180.2","","180.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 Cl4 N4 P2 Pt -","- C35 H46 Cl4 N4 P2 Pt -","- C70 H92 Cl8 N8 P4 Pt2 -","2","1","","Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James","Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration","Inorganic Chemistry","2005","44","","3290","3298","10.1021/ic048639h","","","0.7107","MoKα","","0.0413","","","0.0456","","","","","1.239","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308840","12.301","0.0003","11.8069","0.0003","12.9733","0.0004","90","","94.607","0.002","90","","1878.11","0.09","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 Cl4 N4 P2 Pd -","- C35 H46 Cl4 N4 P2 Pd -","- C70 H92 Cl8 N8 P4 Pd2 -","2","1","","Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James","Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration","Inorganic Chemistry","2005","44","","3290","3298","10.1021/ic048639h","","","0.7107","MoKα","","0.0407","0.022","","0.0624","","0.0624","","","1.085","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309066","12.1883","0.0013","13.596","0.001","12.9392","0.0013","90","","115.881","0.011","90","","1929.1","0.4","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C29 H27 Cd2 I4 N3 O6 -","- C29 H27 Cd2 I4 N3 O6 -","- C58 H54 Cd4 I8 N6 O12 -","2","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.0307","0.0295","","","0.0764","0.077","","","","","","1.029","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309068","8.614","0.0013","19.322","0.002","10.8199","0.0019","90","","107.088","0.019","90","","1721.4","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cd Cl2 N3 O14 -","- C27 H27 Cd Cl2 N3 O14 -","- C54 H54 Cd2 Cl4 N6 O28 -","2","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.1179","0.0937","","","0.2477","0.2658","","","","","","0.978","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309069","8.6129","0.0008","19.3622","0.0011","20.792","0.002","90","","96.846","0.011","90","","3442.6","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H33 Cl2 Mg N3 O15 -","- C27 H31 Cl2 Mg N3 O14 -","- C108 H124 Cl8 Mg4 N12 O56 -","4","2","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.1197","0.0605","","","0.1209","0.1359","","","","","","0.743","","","","has coordinates","189197","2020-10-21","18:00:00",""
"4309083","10.069","0.002","8.0875","0.0016","10.598","0.002","90","","94.71","0.03","90","","860.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 Al2 N3 O12 P3 -","- C6 H18 Al2 N3 O12 P3 -","- C12 H36 Al4 N6 O24 P6 -","2","1","","Mei Wang; Ji-yang Li; Ji-hong Yu; Qin-he Pan; Xiao-wei Song; Ru-ren Xu","Assembly of Helical Hydrogen Bonds in a New Layered Aluminophosphate [C6N3H17][Al2(HPO4)(PO4)2]","Inorganic Chemistry","2005","44","","4604","4607","10.1021/ic050124i","","","0.71073","MoKα","","0.0352","0.0325","","","0.0791","0.0807","","","","","","1.036","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4309120","9.686","0.004","8.484","0.004","7.035","0.003","90","","110.28","0.01","90","","542.3","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Cd N O9 -","- C6 H13 Cd N O9 -","- C12 H26 Cd2 N2 O18 -","2","1","","E. T. Kefalas; M. Dakanali; P. Panagiotidis; C. P. Raptopoulou; A. Terzis; T. Mavromoustakos; I. Kyrikou; N. Karligiano; A. Bino; A. Salifoglou","pH-Specific Aqueous Synthetic Chemistry in the Binary Cadmium(II)-Citrate System. Gaining Insight into Cadmium(II)-Citrate Speciation with Relevance to Cadmium Toxicity","Inorganic Chemistry","2005","44","","4818","4828","10.1021/ic050286e","","","0.71073","MoKα","","0.0264","0.0264","","","0.0665","0.0666","","","","","","1.045","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309219","12.9938","0.0013","22.318","0.002","13.0908","0.0013","90","","102.582","0.002","90","","3705.1","0.6","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H24 N4 O12 Zn2 -","- C48 H24 N4 O12 Zn2 -","- C96 H48 N8 O24 Zn4 -","2","1","","Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp","Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions","Inorganic Chemistry","2005","44","","4912","4914","10.1021/ic050452i","","","0.71073","MoKα","","0.0648","0.0492","","","0.1085","0.1138","","","","","","0.938","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309258","7.3324","0.0001","21.4514","0.0003","7.4827","0.0001","90","","100.619","0.001","90","","1156.8","0.03","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O15 Re2 S2 -","- C16 H18 N2 O15 Re2 S2 -","- C32 H36 N4 O30 Re4 S4 -","2","1","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","1.54178","CuKα","","0.0397","0.0396","","","0.1011","0.1011","","","","","","1.099","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309263","17.146","0.017","33.15","0.03","17.399","0.017","90","","95.819","0.017","90","","9838","16","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71.5 H92 Cu8 Fe4 N26 O3.5 S8 -","- C71.5 H88 Cu8 Fe4 N26 O3.5 S8 -","- C286 H352 Cu32 Fe16 N104 O14 S32 -","4","2","","Ming-xue Li; Yan Bai; Bing-guang Zhang; Chun-ying Duan; Jian Xu; Qing-jin Meng","Heterometallic Compounds Assembled from Ferrocene-Containing Bisthiosemicarbazone Clips","Inorganic Chemistry","2005","44","","5459","5466","10.1021/ic0502067","","","0.71073","MoKα","","0.1091","0.0667","","","0.151","0.1604","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309270","10.698","0.003","38.025","0.006","10.968","0.003","90","","97.99","0.03","90","","4418.4","1.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75 H120 Al4 Ba2 O12 -","- C75 H120 Al4 Ba2 O12 -","- C150 H240 Al8 Ba4 O24 -","2","1","","Józef Utko; Sławomir Szafert; Lucjan B. Jerzykiewicz; Piotr Sobota","Synthesis of Homoleptic Barium Alkoxides and Aryloxides and Their Reactions with Al(CH3)3: a Convenient Route to Heterometallic Species","Inorganic Chemistry","2005","44","","5194","5196","10.1021/ic0503129","","","0.71073","MoKα","","0.1105","0.0677","","","0.1323","0.145","","","","","","0.931","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309376","15.6465","0.0005","13.199","0.0004","20.3427","0.0007","90","","94.511","0.001","90","","4188.1","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 2e","","","- C20 H7 Al F15 N -","- C20 H7 Al F15 N -","- C160 H56 Al8 F120 N8 -","8","4","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0592","0.0439","","","0.0997","0.1089","","","","","","1","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309525","7.7544","0.0002","16.983","0.0004","9.0732","0.0002","90","","97.998","0.001","90","","1183.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cu3 N10 O6 -","- C17 H22 Cu3 N10 O6 -","- C34 H44 Cu6 N20 O12 -","2","1","","Maurizio Casarin; Carlo Corvaja; Corrado Di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli","One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinuclear Triangular Cu(II) Secondary Building Units","Inorganic Chemistry","2005","44","","6265","6276","10.1021/ic050678l","","","0.71073","MoKα","","0.0363","0.0321","","","0.074","0.0758","","","","","","0.985","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309676","7.2157","0.0004","11.5439","0.0006","7.3909","0.0004","90","","101.296","0.001","90","","603.72","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","hydrazine zinc telluride - alpha phase","hydrazine zinc telluride","","- H8 N4 Te Zn -","- H8 N4 Te Zn -","- H32 N16 Te4 Zn4 -","4","2","","David B. Mitzi","Polymorphic One-Dimensional (N2H4)2ZnTe: Soluble Precursors for the Formation of Hexagonal or Cubic Zinc Telluride","Inorganic Chemistry","2005","44","","7078","7086","10.1021/ic050833w","","","0.7093","MolybdenumKα","","0.015","0.015","","0.019","0.019","","","","","0.95","0.95","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309712","10.825","0.002","16.86","0.003","11.004","0.002","90","","99.03","0.03","90","","1983.4","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N6 O15 Zn2 -","- C34 H32 N6 O15 Zn2 -","- C68 H64 N12 O30 Zn4 -","2","1","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0497","0.0426","","","0.0929","0.0944","","","","","","1.029","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309724","13.77","0.002","8.508","0.001","15.258","0.001","90","","108.212","0.008","90","","1698","0.3","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","di-μ-hydroxo-bis((N,N,N',N'-tetramethyl-(1R,2R)-trans- cyclohexanediamine-κ^2^N,N')copper(II)) bis(trifluoromethanesulfonate)","","- C22 H46 Cu2 F6 N4 O8 S2 -","- C22 H46 Cu2 F6 N4 O8 S2 -","- C44 H92 Cu4 F12 N8 O16 S4 -","2","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.7107","MoKα","","0.076","0.0532","","","0.1361","0.1497","","","","","","1.069","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309726","12.1336","0.0002","11.9387","0.0003","18.4717","0.0003","90","","108.387","0.001","90","","2539.19","0.09","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","di-μ-oxo-bis(N,N'-diethyl-N,N'-dimethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(III) bis(trifluoromethanesulfonate) dichloromethane solvate","","- C30 H60 Cl8 Cu2 F6 N4 O8 S2 -","- C30 H60 Cl8 Cu2 F6 N4 O8 S2 -","- C60 H120 Cl16 Cu4 F12 N8 O16 S4 -","2","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0653","0.055","","","0.1211","0.1287","","","","","","1.075","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309727","10.1266","0.001","8.2904","0.001","13.9796","0.001","90","","105.516","0.01","90","","1130.9","0.2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(acetonitrile-κN)(N,N,N',N'-tetraethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I) trifluoromethanesulfonate","","- C17 H33 Cu F3 N3 O3 S -","- C17 H33 Cu F3 N3 O3 S -","- C34 H66 Cu2 F6 N6 O6 S2 -","2","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0544","0.0396","","","0.1012","0.1086","","","","","","1.045","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309728","9.3741","0.0002","36.4637","0.0007","11.3652","0.0003","90","","93.314","0.001","90","","3878.29","0.15","159","2","159","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(acetonitrile-κN)(N,N,N',N'-tetrabenzyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I) trifluoromethanesulfonate dichloromethane solvate","","- C38 H43 Cl2 Cu F3 N3 O3 S -","- C38 H43 Cl2 Cu F3 N3 O3 S -","- C152 H172 Cl8 Cu4 F12 N12 O12 S4 -","4","2","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0489","0.036","","","0.0666","0.0707","","","","","","1.004","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309814","9.0837","0.0006","9.3514","0.0004","11.0831","0.0008","90","","107.807","0.006","90","","896.35","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cu N2 O6 -","- C19 H14 Cu N2 O6 -","- C38 H28 Cu2 N4 O12 -","2","1","","Jorge Pasán; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Polymeric Networks of Copper(II) Phenylmalonate with Heteroaromatic N-donor Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","7794","7801","10.1021/ic0503986","","x-ray","0.71073","MoKα","","0.0525","0.0394","","","0.0858","0.0907","","","","","","1.025","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309879","8.5031","0.0008","17.1626","0.0013","20.4991","0.0019","90","","93.24","0.002","90","","2986.8","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C6 Br K3 N6 O6 Se3 Te4 W3 -","- C6 Br K3 N6 O6 Se3 Te4 W3 -","- C24 Br4 K12 N24 O24 Se12 Te16 W12 -","4","2","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","x-ray","0.71073","MoKα","","0.0895","0.0515","","","0.1116","0.1211","","","","","","0.967","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309977","14.0803","0.0006","16.5775","0.0007","19.9887","0.0009","90","","90.613","0.003","90","","4665.4","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","S4ligand","","","- C73 H131 Cl3 S4 Si12 -","- C73 H131 Cl3 S4 Si12 -","- C146 H262 Cl6 S8 Si24 -","2","1","","Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh","Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents","Inorganic Chemistry","2005","44","","8561","8568","10.1021/ic050944v","","","0.71069","MoKα","","0.093","0.0636","","","0.154","0.1757","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309993","12.971","0.003","18.364","0.004","23.397","0.005","90","","105.347","0.004","90","","5374","2","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C107.5 H91 Cl7 F12 N4 O10 P4 Rh4 -","- C107.5 H83 Cl7 F12 N4 O10 P4 Rh4 -","- C215 H166 Cl14 F24 N8 O20 P8 Rh8 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Rongmin Yu","Chiral Supramolecules: Organometallic Molecular Loops Made from Enantiopure R-[cis-Rh2(C6H4PPh2)2(CH3CN)6](BF4)2","Inorganic Chemistry","2005","44","","8211","8215","10.1021/ic051149k","","","0.71073","MoKα","","0.0692","0.0549","","","0.1381","0.1487","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309994","15.645","0.014","17.639","0.016","19.208","0.018","90","","99.304","0.016","90","","5231","8","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C104 H87 Cl6 F8 N4 O9.5 P4 Rh4 -","- C104 H76 Cl6 F8 N4 O9.5 P4 Rh4 -","- C208 H152 Cl12 F16 N8 O19 P8 Rh8 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Rongmin Yu","Chiral Supramolecules: Organometallic Molecular Loops Made from Enantiopure R-[cis-Rh2(C6H4PPh2)2(CH3CN)6](BF4)2","Inorganic Chemistry","2005","44","","8211","8215","10.1021/ic051149k","","","0.71073","MoKα","","0.0933","0.0603","","","0.1615","0.1899","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310006","12.6777","0.0009","18.3677","0.0013","18.1451","0.0012","90","","94.648","0.001","90","","4211.4","0.5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H42 O8 P2 Rh2 -","- C44 H42 O8 P2 Rh2 -","- C176 H168 O32 P8 Rh8 -","4","2","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0345","0.0278","","","0.0601","0.0629","","","","","","1.022","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310007","22.366","0.003","21.519","0.003","36.118","0.004","90","","91.152","0.002","90","","17380","4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C170.75 H149.5 Cl14.5 N6 O15 P6 Rh6 -","- C170.75 H140.5 Cl14.5005 N6 O15 P6 Rh6 -","- C683 H562 Cl58.002 N24 O60 P24 Rh24 -","4","2","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.1221","0.1168","","","0.2869","0.2902","","","","","","1.149","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310008","15.2104","0.0013","27.015","0.002","16.9695","0.0015","90","","113.032","0.001","90","","6417.1","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C284 H230 Cl12 N10 O24 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0375","0.0335","","","0.0826","0.0857","","","","","","1.055","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310009","15.259","0.002","27.059","0.004","17.021","0.002","90","","112.984","0.002","90","","6469.9","1.5","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C284 H230 Cl12 N10 O24 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0406","0.0344","","","0.0838","0.0885","","","","","","1.085","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310011","11.18","0.008","27.89","0.02","19.279","0.014","90","","101.939","0.014","90","","5881","7","","","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C123.5 H123 Cl O22 P6 Rh6 -","- C123.5 H112 Cl O22 P6 Rh6 -","- C247 H224 Cl2 O44 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0927","0.0556","","","0.0962","0.1084","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310013","13.4","0.0005","53.8819","0.0019","18.2036","0.0006","90","","90.048","0.001","90","","13143.3","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","{S,S,S-[Rh6(Ph2P(C6H4))6(C2O4)3Py5MeOH]} {S,S,S-[Rh6(Ph2P(C6H4))6(C2O4)3Py4.5MeOH1.5]}, 4(CH2Cl2),3.0MeOH","","","- C285 H245.5 Cl8 N9.5 O29.5 P12 Rh12 -","- C285 H239 Cl8 N9.5 O29.5 P12 Rh12 -","- C570 H478 Cl16 N19 O59 P24 Rh24 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0496","0.0425","","","0.0927","0.0972","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310024","13.2891","0.0014","23.511","0.002","13.6985","0.0014","90","","117.047","0.002","90","","3811.9","0.7","293","2","293","2","","","","","","","synthetic","8","P 1 21 1","P 2yb","4","","","","- C60 H110 Co F3 Li4 O11 S Si5 -","- C61 H110 Co F3 Li4 O11 S Si5 -","- C122 H220 Co2 F6 Li8 O22 S2 Si10 -","2","1","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.0793","0.0537","","0.1279","0.1155","","","","1.026","1.057","1.057","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310074","14.337","0.006","12.524","0.005","23.755","0.01","90","","97.116","0.007","90","","4233","3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37.5 H41 F6 Ir N6 O0.5 P -","- C37.5 H41 F6 Ir N6 O0.5 P -","- C150 H164 F24 Ir4 N24 O2 P4 -","4","2","","Arnold B. Tamayo; Simona Garon; Tissa Sajoto; Peter I. Djurovich; Irina M. Tsyba; Robert Bau; Mark E. Thompson","Cationic Bis-cyclometalated Iridium(III) Diimine Complexes and Their Use in Efficient Blue, Green, and Red Electroluminescent Devices","Inorganic Chemistry","2005","44","","8723","8732","10.1021/ic050970t","","","0.71073","MoKα","","0.0689","0.0565","","","0.1496","0.1587","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310095","12.581","0.003","8.4606","0.0018","13.465","0.003","90","","95.936","0.004","90","","1425.6","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl Cu N7 O4 -","- C28 H28 Cl Cu N7 O4 -","- C56 H56 Cl2 Cu2 N14 O8 -","2","1","","He-Rui Wen; Cai-Feng Wang; You Song; Jing-Lin Zuo; Xiao-Zeng You","One-Dimensional Azido-Bridged Chiral Metal Complexes with Ferromagnetic or Antiferromagnetic Interactions: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2005","44","","9039","9045","10.1021/ic051108o","","","0.71073","MoKα","","0.0705","0.0559","","","0.1077","0.1103","","","","","","1.02","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310096","12.599","0.005","8.461","0.003","13.48","0.005","90","","96.006","0.012","90","","1429.1","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl Cu N7 O4 -","- C28 H28 Cl Cu N7 O4 -","- C56 H56 Cl2 Cu2 N14 O8 -","2","1","","He-Rui Wen; Cai-Feng Wang; You Song; Jing-Lin Zuo; Xiao-Zeng You","One-Dimensional Azido-Bridged Chiral Metal Complexes with Ferromagnetic or Antiferromagnetic Interactions: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2005","44","","9039","9045","10.1021/ic051108o","","","0.71073","MoKα","","0.0484","0.0435","","","0.1009","0.1024","","","","","","1.04","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310097","12.822","0.003","8.3655","0.0019","13.658","0.003","90","","94.668","0.005","90","","1460.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl Mn N7 O4 -","- C28 H28 Cl Mn N7 O4 -","- C56 H56 Cl2 Mn2 N14 O8 -","2","1","","He-Rui Wen; Cai-Feng Wang; You Song; Jing-Lin Zuo; Xiao-Zeng You","One-Dimensional Azido-Bridged Chiral Metal Complexes with Ferromagnetic or Antiferromagnetic Interactions: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2005","44","","9039","9045","10.1021/ic051108o","","","0.71073","MoKα","","0.0587","0.0463","","","0.0983","0.1016","","","","","","1.016","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310110","10.9317","0.0008","12.1008","0.0008","13.1681","0.001","90","","108.134","0.001","90","","1655.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H29 Ir O3 P2 -","- C39 H29 Ir O3 P2 -","- C78 H58 Ir2 O6 P4 -","2","1","","Francisco Acha; María A. Garralda; Lourdes Ibarlucea; Elena Pinilla; M. Rosario Torres","Novel Hydridoirida-β-diketones Containing Small Molecules, CO, or Ethylene: Their Behavior in Coordinating Solvents Such as Dimethylsulfoxide or Acetonitrile","Inorganic Chemistry","2005","44","","9084","9091","10.1021/ic051219n","","","0.71073","MoKα","","0.0481","0.0364","","","0.0699","0.0731","","","","","","0.923","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310157","10.374","0.001","9.324","0.001","22.076","0.001","90","","91.734","0.001","90","","2134.4","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H40 Mn O3 P3 S2 -","- C48 H40 Mn O3 P3 S2 -","- C96 H80 Mn2 O6 P6 S4 -","2","1","","Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Pedro D. Vaz; Maria José Calhorda; Taasje Mahabiersing; František Hartl","Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertible fac- and mer-[Mn(SPS)(CO)3] Isomers Containing a Flexible SPS-Based Pincer Ligand","Inorganic Chemistry","2005","44","","9213","9224","10.1021/ic050774m","","","0.71069","MoKα","","0.076","0.0507","","","0.1002","0.1152","","","","","","1.087","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310170","10.7855","0.0001","9.6873","0.0001","11.8322","0.0002","90","","109.417","0.0006","90","","1165.94","0.03","150","","150","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C22 H20 Br Mn N2 O8 -","- C22 H20 Br Mn N2 O8 -","- C44 H40 Br2 Mn2 N4 O16 -","2","1","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0413","0.0307","","","0.0688","0.0728","","","","","","1.051","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310172","11.4525","0.0002","8.9955","0.0001","13.233","0.0003","90","","91.6743","0.0007","90","","1362.69","0.04","150","","150","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl Mn N2 O13 -","- C24 H26 Cl Mn N2 O13 -","- C48 H52 Cl2 Mn2 N4 O26 -","2","1","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0682","0.041","","","0.074","0.0815","","","","","","1","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310190","11.789","0.0007","13.1284","0.0007","21.3695","0.0012","90","","91.779","0.001","90","","3305.8","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl N P Pd -","- C36 H39 Cl N P Pd -","- C144 H156 Cl4 N4 P4 Pd4 -","4","2","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0485","0.0424","","","0.0773","0.0791","","","","","","1.017","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310209","9.269","0.003","25.572","0.007","11.738","0.004","90","","110.225","0.006","90","","2610.7","1.4","153.1","","153.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H48 Br2 Cu2 N2 O2 P2 -","- C60 H48 Br2 Cu2 N2 O2 P2 -","- C120 H96 Br4 Cu4 N4 O4 P4 -","2","1","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0388","","","","0.0768","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310296","8.1714","0.0012","21.337","0.003","16.404","0.002","90","","94.92","0.017","90","","2849.6","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H64 Cl3 Co N22 O6 P6 -","- C34 H56 Cl3 Co N22 O6 P6 -","- C68 H112 Cl6 Co2 N44 O12 P12 -","2","1","","Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley","Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)","Inorganic Chemistry","2004","43","","166","172","10.1021/ic034561d","","","0.71073","MoKα","","0.0451","0.0398","","","0.1038","0.1077","","","","","","1.051","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310302","6.7744","0.0012","6.9938","0.0012","8.9602","0.0016","90","","108.225","0.003","90","","403.23","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Potassium Samarium Tetraselenogermanate","Potassium Samarium Tetraselenogermanate","","- Ge K Se4 Sm -","- Ge K Se4 Sm -","- Ge2 K2 Se8 Sm2 -","2","1","","Benjamin R. Martin; Peter K. Dorhout","Molten Flux Synthesis of an Analogous Series of Layered Alkali Samarium Selenogermanate Compounds","Inorganic Chemistry","2004","43","","385","391","10.1021/ic034724y","","","0.71073","MoKα","","0.0495","0.0414","","","0.0925","0.0947","","","","","","1.016","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310321","12.037","0.004","18.318","0.005","13.362","0.004","90","","100.958","0.008","90","","2892.5","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Co3 N O10 Ru -","- C23 H26 Co3 N O10 Ru -","- C92 H104 Co12 N4 O40 Ru4 -","4","2","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71073","MoKα","","0.1188","0.0543","","","0.1279","0.153","","","","","","0.965","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310343","16.9056","0.0006","24.5551","0.0008","18.9945","0.0007","90","","90.028","0.001","90","","7885","0.5","112","2","112","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H70.5 Cl Mn6 N9.5 O23 -","- C73 H70.5 Cl Mn6 N9.5 O23 -","- C292 H282 Cl4 Mn24 N38 O92 -","4","2","","Cristina Cañada-Vilalta; William E. Streib; John C. Huffman; Ted A. O'Brien; Ernest R. Davidson; George Christou","Polynuclear Manganese Complexes with the Dicarboxylate Ligand m-Phenylenedipropionate: A Hexanuclear Mixed-Valence (3MnIII, 3MnIV) Complex","Inorganic Chemistry","2004","43","","101","115","10.1021/ic034973m","","","0.71073","MoKα","","0.1029","0.0674","","","0.1585","0.1847","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310345","9.89","0.0008","20.1253","0.0016","16.797","0.0014","90","","92.835","0.002","90","","3339.2","0.5","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H53 B N P -","- C38 H53 B N P -","- C152 H212 B4 N4 P4 -","4","2","","Christine M. Thomas; Jonas C. Peters","Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis","Inorganic Chemistry","2004","43","","8","10","10.1021/ic0350234","","","0.71073","MoKα","","0.1066","0.0659","","","0.0917","0.0973","","","","","","1.614","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310397","11.5946","0.0018","22.246","0.004","15.35","0.002","90","","110.643","0.003","90","","3705.1","1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H89 Cl6 Co3 N11 O4 -","- C68 H89 Cl6 Co3 N11 O4 -","- C136 H178 Cl12 Co6 N22 O8 -","2","1","","Shane G. Telfer; Tomohiro Sato; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Dinuclear Complexes of Chiral Tetradentate Pyridylimine Ligands: Diastereoselectivity, Positive Cooperativity, Anion Selectivity, Ligand Self-Sorting Based on Chirality, and Magnetism","Inorganic Chemistry","2004","43","","421","429","10.1021/ic034585k","","","0.71073","MoKα","","0.0645","0.0479","","","0.1021","0.1052","","","","","","0.881","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310448","13.5691","0.001","42.461","0.003","24.0093","0.0018","90","","100.699","0.002","90","","13592.7","1.7","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","[FeOETPP(4-CNPy)2]ClO4","bis{4-cyanopyridine}octaethyltetraphenylporphinato Iron(III) perchlorate","","- C73.5 H71 Cl4 Fe N8 O4 -","- C73.5 H71 Cl4 Fe N8 O4 -","- C588 H568 Cl32 Fe8 N64 O32 -","8","4","","Liliya A. Yatsunyk; F. Ann Walker","Structural, NMR, and EPR Studies of S=1/2 and S=3/2 Fe(III) Bis(4-Cyanopyridine) Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","757","777","10.1021/ic035010q","","","0.71073","MoKα","","0.1452","0.0707","","","0.1675","0.2106","","","","","","1.026","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4310485","15.3714","0.0014","13.522","0.0012","18.0243","0.0016","90","","114.519","0.002","90","","3408.6","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H30 Ag F6 N12 O2 P -","- C30 H30 Ag F6 N12 O2 P -","- C120 H120 Ag4 F24 N48 O8 P4 -","4","2","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0854","0.0694","","","0.1751","0.1853","","","","","","1.008","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310647","11.0797","0.0005","10.5669","0.0005","18.139","0.0007","90","","107.301","0.003","90","","2027.59","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H32 Cl4 Co N5 O3 -","- C11 H32 Cl4 Co N5 O3 -","- C44 H128 Cl16 Co4 N20 O12 -","4","2","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0508","0.0411","","","0.0951","0.1007","","","","","","0.978","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310745","15.0152","0.0008","22.2897","0.001","19.5322","0.001","90","","106.533","0.006","90","","6266.8","0.6","200","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C113 H111 Cr Eu F18 N25 O21 S6 -","- C113 H111 Cr Eu F18 N25 O21 S6 -","- C226 H222 Cr2 Eu2 F36 N50 O42 S12 -","2","1","","Martine Cantuel; Gérald Bernardinelli; Gilles Muller; James P. Riehl; Claude Piguet","The First Enantiomerically Pure Helical Noncovalent Tripod for Assembling Nine-Coordinate Lanthanide(III) Podates","Inorganic Chemistry","2004","43","","1840","1849","10.1021/ic035292u","","","0.71073","MoKα","","","0.047","","","","0.044","","","","","","1.93","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310800","13.879","0.001","13.77","0.001","16.34","0.001","90","","102.95","","90","","3043.4","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H72 N11 Ni4 O12 S3 -","- C53 H72 N11 Ni4 O12 S3 -","- C106 H144 N22 Ni8 O24 S6 -","2","1","","Subrata Kumar Dey; Nijhuma Mondal; M. Salah El Fallah; Ramon Vicente; Albert Escuer; Xavier Solans; M. Font-Bardía; T. Matsushita; V. Gramlich; Samiran Mitra","Crystal Structure and Magnetic Interactions in Nickel(II) Dibridged Complexes Formed by Two Azide Groups or by Both Phenolate Oxygen-Azide, -Thiocyanate, -Carboxylate, or -Cyanate Groups","Inorganic Chemistry","2004","43","","2427","2434","10.1021/ic0352553","","","0.71069","MoKα","","0.0539","0.0296","","","0.0711","0.0764","","","","","","1.053","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310804","8.4511","0.0004","10.6848","0.0004","8.7458","0.0005","90","","118.143","0.002","90","","696.36","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl4 O2 P2 -","- C10 H6 Cl4 O2 P2 -","- C20 H12 Cl8 O4 P4 -","2","1","","Petr Kilian; Heather L. Milton; Alexandra M. Z. Slawin; J. Derek Woollins","Chlorides, Oxochlorides, and Oxoacids of 1,8-Diphosphanaphthalene: A System with Imposed Close P...P Interaction","Inorganic Chemistry","2004","43","","2252","2260","10.1021/ic035364h","","","0.71073","MoKα","","0.0519","0.0449","","","0.1103","0.1146","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310818","8.0868","0.0016","22.374","0.004","19.538","0.004","90","","101.747","0.004","90","","3461.1","1.2","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","cis-Mo2(DAniF)2(OAc)2","","","- C34 H36 Mo2 N4 O8 -","- C34 H36 Mo2 N4 O8 -","- C136 H144 Mo8 N16 O32 -","4","2","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0781","0.0649","","","0.1541","0.1644","","","","","","1.071","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310846","10.634","0.007","9.724","0.007","14.733","0.013","90","","99.06","0.03","90","","1504","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 B N3 -","- C31 H50 B N3 -","- C62 H100 B2 N6 -","2","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71073","MoKα","","0.0918","0.0613","","","0.1587","0.1843","","","","","","0.937","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310900","8.5142","0.0019","14.365","0.003","11.451","0.003","90","","99.483","0.006","90","","1381.4","0.6","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)Cl]ClO4.2CH3CN","","","- C24 H26 Cl2 Mn N7 O5 -","- C24 H26 Cl2 Mn N7 O5 -","- C48 H52 Cl4 Mn2 N14 O10 -","2","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Belem Avila; Theodore R. Holman; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of NO with Mn(II) and Mn(III) Centers Coordinated to Carboxamido Nitrogen: Synthesis of a Manganese Nitrosyl with Photolabile NO","Inorganic Chemistry","2004","43","","2988","2997","10.1021/ic030331n","","","0.71073","MoKα","","0.0211","0.0204","","","0.0562","0.0565","","","","","","1.033","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310973","11.147","0.0013","18.423","0.002","16.169","0.002","90","","91.619","0.002","90","","3319.2","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H43.5 Ag B F4 N P2 -","- C34 H34.5 Ag B F4 N P2 -","- C136 H138 Ag4 B4 F16 N4 P8 -","4","2","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","0.71073","MoKα","","0.0618","0.0593","","","0.1571","0.1583","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311023","9.0678","0.0006","20.1462","0.0012","10.1664","0.0006","90","","114.205","0.001","90","","1693.94","0.18","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","holne54","","","- C33 H50 Cl Fe N2 O -","- C33 H50 Cl Fe N2 O -","- C66 H100 Cl2 Fe2 N4 O2 -","2","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0693","0.0523","","","0.1392","0.1523","","","","","","1.022","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311047","10.285","0.002","18.702","0.007","14.868","0.005","90","","97.39","","90","","2836.1","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Co N3 O6.5 -","- C26 H35 Co N3 O6.5 -","- C104 H140 Co4 N12 O26 -","4","2","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids","Inorganic Chemistry","2004","43","","3433","3440","10.1021/ic035059w","","","0.71069","MoKα","","0.1343","0.0861","","","0.2253","0.273","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311056","6.96","0.0002","11.665","0.0005","9.63","0.0003","90","","94.273","0.002","90","","779.67","0.05","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 Cu N6 O5.5 -","- C12 H18 Cu N6 O5.5 -","- C24 H36 Cu2 N12 O11 -","2","1","","Patrick Deschamps; Prasad P. Kulkarni; Bibudhendra Sarkar","X-ray Structure of Physiological Copper(II)-Bis(l-histidinato) Complex","Inorganic Chemistry","2004","43","","3338","3340","10.1021/ic035413q","","","0.71073","MoKα","","0.0435","0.0359","","","0.074","0.0779","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311093","8.4511","0.0004","10.6848","0.0004","8.7458","0.0005","90","","118.143","0.002","90","","696.36","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl4 O2 P2 -","- C10 H6 Cl4 O2 P2 -","- C20 H12 Cl8 O4 P4 -","2","1","","Sabine Weinrich; Holger Piotrowski; Martin Vogt; Axel Schulz; Matthias Westerhausen","Dimeric (Tris(tert-butyl)silyl)phosphanyl (Tris(tert-butyl)silyl)phosphanediyl Gallane: A Molecule with a Ga-P-Ga Heteroallyl System","Inorganic Chemistry","2004","43","","3756","3762","10.1021/ic0303284","","","0.71073","MoKα","","0.0519","0.0449","","","0.1103","0.1146","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311119","6.9479","0.0001","21.1986","0.0002","18.9244","0.0002","90","","93.987","0.001","90","","2780.55","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","silver(I) di(glutaronitrile) cobalt(III) bis(dicarbollide)","","","- C28 H68 Ag2 B36 Co2 N8 -","- C28 H68 Ag2 B36 Co2 N8 -","- C56 H136 Ag4 B72 Co4 N16 -","2","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.04","0.0353","","","0.0917","0.1017","","","","","","1.09","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311121","10.5596","0.0001","20.4064","0.0002","10.9089","0.0001","90","","95.368","0.001","90","","2340.38","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","silver adiponitrile cobalt(III) bis(carbollide)","","","- C20 H60 Ag2 B36 Co2 N4 -","- C20 H60 Ag2 B36 Co2 N4 -","- C40 H120 Ag4 B72 Co4 N8 -","2","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0471","0.041","","","0.1035","0.108","","","","","","1.028","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311150","7.122","0.002","20.983","0.008","10.758","0.005","90","","108.96","0.04","90","","1520.5","1.1","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H37 Cl2 Mo N3 O3 -","- C31 H37 Cl2 Mo N3 O3 -","- C62 H74 Cl4 Mo2 N6 O6 -","2","1","","Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan","Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes","Inorganic Chemistry","2004","43","","4072","4079","10.1021/ic035318h","","","0.71073","MoKα","","0.0265","0.0223","","","0.0592","0.0628","","","","","","1.087","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311160","4.88","0.004","10.827","0.005","18.012","0.007","90","","91.13","0.07","90","","951.5","1","298","","298","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H8 Cl2 Cu I2 N2 O2 -","- C18 H8 Cl2 Cu I2 N2 O2 -","- C36 H16 Cl4 Cu2 I4 N4 O4 -","2","1","","Massimo Di Vaira; Carla Bazzicalupi; Pierluigi Orioli; Luigi Messori; Bruno Bruni; Paolo Zatta","Clioquinol, a Drug for Alzheimer's Disease Specifically Interfering with Brain Metal Metabolism: Structural Characterization of Its Zinc(II) and Copper(II) Complexes","Inorganic Chemistry","2004","43","","3795","3797","10.1021/ic0494051","","","0.71069","MoKα","","0.0722","0.0317","","0.089","0.0678","","","","1.051","1.055","1.055","","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311211","12.444","0.002","26.662","0.004","12.924","0.002","90","","94.354","0.003","90","","4275.6","1.1","153.2","","153.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H51 Br2 N2 O2 Sn -","- C42.9985 H51 Br2 N2 O2 Sn -","- C171.994 H204 Br8 N8 O8 Sn4 -","4","2","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.1343","0.039","","0.097","","0.035","","","1.258","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311227","9.5207","0.0004","12.1629","0.0005","16.0064","0.0007","90","","99.78","0.001","90","","1826.59","0.13","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H58 Cl2 N8 O9 Zn2 -","- C29 H58 Cl2 N8 O9 Zn2 -","- C58 H116 Cl4 N16 O18 Zn4 -","2","1","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.0442","0.0353","","","0.0772","0.0855","","","","","","1.022","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4311350","16.9604","0.0003","13.2836","0.0002","26.5637","0.0005","90","","101.603","0.001","90","","5862.37","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 Cl4 Cu N4 O3.5 -","- C21 H29 Cl4 Cu N4 O3.5 -","- C168 H232 Cl32 Cu8 N32 O28 -","8","4","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.103","0.0708","","","0.1862","0.2029","","","","","","1.35","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311439","10.0348","0.0007","13.5631","0.0009","12.4213","0.001","90","","95.336","0.004","90","","1683.2","0.2","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H35 Cu N5 O16 -","- C28 H35 Cu N5 O16 -","- C56 H70 Cu2 N10 O32 -","2","1","","Yuji Mikata; Yuko Sugai; Shigenobu Yano","Control of Oxygen Atom Chirality and Chelate Ring Conformation by Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant Dipicolylamine-Copper(II) Complexes","Inorganic Chemistry","2004","43","","4778","4780","10.1021/ic0496323","","","0.7107","MoKalpha","","","0.033","","","","0.073","","","","","","0.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311440","8.7208","0.0007","16.3103","0.0011","9.8981","0.0008","90","","104.383","0.004","90","","1363.77","0.18","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 Cu N5 O12 -","- C22 H33 Cu N5 O12 -","- C44 H66 Cu2 N10 O24 -","2","1","","Yuji Mikata; Yuko Sugai; Shigenobu Yano","Control of Oxygen Atom Chirality and Chelate Ring Conformation by Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant Dipicolylamine-Copper(II) Complexes","Inorganic Chemistry","2004","43","","4778","4780","10.1021/ic0496323","","","0.7107","MoKalpha","","","0.033","","","","0.086","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311447","17.4581","0.0008","16.678","0.0008","18.0894","0.0009","90","","115.654","0.001","90","","4747.8","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H56 B2 Cl2 F4 O4 P4 Pd2 -","- C40 H56 B2 Cl2 F4 O4 P4 Pd2 -","- C160 H224 B8 Cl8 F16 O16 P16 Pd8 -","4","2","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0323","0.0303","","","0.0669","0.0679","","","","","","1.017","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311449","14.925","0.0017","10.5019","0.0012","16.968","0.0019","90","","112.281","0.002","90","","2461","0.5","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C40 H56 B2 F4 O4 P4 Pd2 S4 W -","- C40 H56 B2 F4 O4 P4 Pd2 S4 W -","- C80 H112 B4 F8 O8 P8 Pd4 S8 W2 -","2","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0595","0.0388","","","0.0687","0.0739","","","","","","0.843","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311475","7.766","0.0007","13.6581","0.0012","9.408","0.0008","90","","96.365","0.002","90","","991.74","0.15","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 N3 Nd O12 -","- C12 H24 N3 Nd O12 -","- C24 H48 N6 Nd2 O24 -","2","1","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0244","0.0234","","","0.0665","0.073","","","","","","1.108","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311478","10.68","0.003","15.024","0.004","11.683","0.003","90","","110.248","0.004","90","","1758.8","0.8","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H47 K N3 Nd O16 -","- C26 H47 K N3 Nd O16 -","- C52 H94 K2 N6 Nd2 O32 -","2","1","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0716","0.0685","","","0.1794","0.1835","","","","","","1.09","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311689","8.847","0.006","7.434","0.005","9.51","0.006","90","","111.89","0.05","90","","580.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H14 Bi N O2 S2 -","- C7 H14 Bi N O2 S2 -","- C14 H28 Bi2 N2 O4 S4 -","2","1","","Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson","Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth","Inorganic Chemistry","2004","43","","6495","6500","10.1021/ic049594n","","","1.54178","CuKα","","0.0497","0.0484","","","0.1258","0.1272","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311719","10.0013","0.0013","13.9969","0.0018","12.0911","0.0015","90","","97.52","0.002","90","","1678","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H24 Cl6 Cu2 N4 -","- C33 H24 Cl6 Cu2 N4 -","- C66 H48 Cl12 Cu4 N8 -","2","1","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0499","0.045","","","0.1022","0.1052","","","","","","1.083","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311797","8.4908","0.0004","14.1916","0.0005","8.4937","0.0004","90","","113.513","0.004","90","","938.49","0.08","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H25 Cl2 Co N6 O11 S -","- C7 H25 Cl2 Co N6 O11 S -","- C14 H50 Cl4 Co2 N12 O22 S2 -","2","1","","Margaret J. Sisley; Robert McDonald; Robert B. Jordan","Linkage Isomerism, Structure, and Reactivity Studies of Sulfenamide Complexes of Cobalt(III)","Inorganic Chemistry","2004","43","","5339","5350","10.1021/ic0350584","","","1.54178","CuKa","","0.0428","0.0415","","0.1148","0.1135","","","","1.038","1.043","1.043","","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311874","10.2939","0.0011","19.369","0.002","11.1354","0.0012","90","","105.122","0.002","90","","2143.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H39 O12 P Pt Ru5 -","- C37 H39 O12 P Pt Ru5 -","- C74 H78 O24 P2 Pt2 Ru10 -","2","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu","Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity","Inorganic Chemistry","2004","43","","7243","7249","10.1021/ic049004l","","","0.71073","MoKα","","0.0472","0.037","","","0.0753","0.0798","","","","","","1.003","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311887","12.6573","0.0011","13.2668","0.0012","17.925","0.0015","90","","105.802","0.002","90","","2896.2","0.4","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","(DAniF)3(CH2DAniF)W2(mu-CO)2","","","- C63 H62 N8 O10 W2 -","- C63 H62 N8 O10 W2 -","- C126 H124 N16 O20 W4 -","2","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.1036","0.072","","","0.1349","0.1509","","","","","","1.04","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311978","9.4372","0.0004","11.7832","0.0004","16.7231","0.0006","90","","105.476","0.001","90","","1792.19","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H60 B Fe P3 -","- C34 H60 B Fe P3 -","- C68 H120 B2 Fe2 P6 -","2","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.0667","0.0479","","","0.0814","0.0839","","","","","","1.473","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312006","6.6678","0.001","19.959","0.003","12.5422","0.0018","90","","93.115","0.003","90","","1666.7","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Pt(C~8~H~15~N~6~)]Cl^.^4H~2~O","","","- C8 H23 Cl N6 O4 Pt -","- C8 H23 Cl N6 O4 Pt -","- C32 H92 Cl4 N24 O16 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand","Inorganic Chemistry","2004","43","","7508","7515","10.1021/ic049226j","","","0.71073","MoKα","","0.023","0.0204","","","0.0435","0.044","","","","","","1.013","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312111","9.4021","0.0003","8.2761","0.0003","12.2393","0.0004","90","","108.886","0.002","90","","901.1","0.05","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl2 Fe N6 -","- C15 H26 Cl2 Fe N6 -","- C30 H52 Cl4 Fe2 N12 -","2","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0262","0.0238","","","0.066","0.0693","","","","","","0.628","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312183","8.697","0.003","16.353","0.003","12.652","0.004","90","","102.78","0.02","90","","1754.8","0.9","288.2","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H42 Cl2 F6 N6 O P Ru -","- C28 H40 Cl2 F6 N6 O P Ru -","- C56 H80 Cl4 F12 N12 O2 P2 Ru2 -","2","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0844","","","","0.2174","","","","","","1.056","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312184","8.93","0.002","11.658","0.002","13.548","0.002","90","","107.59","0.02","90","","1344.5","0.5","273.2","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl F6 N5 O P Ru -","- C23 H27 Cl F6 N5 O P Ru -","- C46 H54 Cl2 F12 N10 O2 P2 Ru2 -","2","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0383","","","","0.0958","","","","","","1.403","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312190","17.718","0.005","13.533","0.002","21.447","0.004","90","","96.38","0.02","90","","5110.7","1.9","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C91 H90 Ag2 Cl8 Fe2 N8 O8 -","- C88 Ag2 Cl2 Fe2 N8 O8 -","- C176 Ag4 Cl4 Fe4 N16 O16 -","2","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.2998","0.1155","","","0.1935","0.2545","","","","","","0.75","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312191","11.8843","0.0008","27.3956","0.0014","16.7683","0.0013","90","","110.565","0.008","90","","5111.5","0.6","153","2","153","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C111 H112 Cl4 Cu2 F12 Fe2 N8 P2 -","- C111 H110 Cl4 Cu2 F12 Fe2 N8 P2 -","- C222 H220 Cl8 Cu4 F24 Fe4 N16 P4 -","2","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.062","0.0478","","","0.1095","0.1138","","","","","","0.965","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4312214","8.6876","0.0004","7.3158","0.0004","16.3376","0.0008","90","","93.7285","0.0009","90","","1036.17","0.09","293","2","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H25 F13 N4 O4 U3 -","- C6 F13 N4 O4 U3 -","- C12 F26 N8 O8 U6 -","2","1","","Chih-Min Wang; Chia-Hsien Liao; Hsiu-Mei Lin; Kwang-Hwa Lii","[N(CH2CH2NH3)3][U3O2F13].2H2O: A Novel Organically Templated Mixed-Valent Uranium Oxyfluoride with a Hybrid Network Structure","Inorganic Chemistry","2004","43","","8239","8241","10.1021/ic0488280","","","0.71073","MoKα","","0.0479","0.0463","","","0.123","0.1239","","","","","","1.052","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312252","12.0778","0.0002","22.9808","0.0006","13.1273","0.0003","90","","97.835","0.002","90","","3609.57","0.14","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 6","","","- C56 H77 Br N12 Na3 Ni4 O21.5 -","- C56 H77 Br N12 Na3 Ni4 O21.5 -","- C112 H154 Br2 N24 Na6 Ni8 O43 -","2","1","","Håkan Carlsson; Matti Haukka; Azzedine Bousseksou; Jean-Marc Latour; Ebbe Nordlander","Nickel Complexes of Carboxylate-Containing Polydentate Ligands as Models for the Active Site of Urease","Inorganic Chemistry","2004","43","","8252","8262","10.1021/ic049048u","","","0.71073","MoKα","","0.0545","0.0478","","","0.1144","0.1174","","","","","","1.103","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4312285","11.504","0.002","13.725","0.0008","13.217","0.0014","90","0.007","105.232","0.013","90","0.01","2013.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 N3 Ru -","- C20 H21 Cl2 N3 Ru -","- C80 H84 Cl8 N12 Ru4 -","4","2","","Sanjay K. Singh; Manoj Trivedi; M. Chandra; Abhaya N. Sahay; Daya Shankar Pandey","Luminescent Piano-Stool Complexes Incorporating 1-(4-Cyanophenyl)imidazole: Synthesis, Spectral, and Structural Studies","Inorganic Chemistry","2004","43","","8600","8608","10.1021/ic049256m","","","0.7093","MoKα","","0.0299","0.027","","","0.0689","0.0717","","","","","","1.019","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312302","15.4537","0.0011","31.618","0.002","16.6979","0.0011","90","","101.66","0.003","90","","7990.5","0.9","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H89 Cu4 N11 O45 P2 -","- C60 H46 Cu4 N11 O45 P2 -","- C240 H184 Cu16 N44 O180 P8 -","4","2","","Merii Kato; Tomoaki Tanase","Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP","Inorganic Chemistry","2005","44","","8","10","10.1021/ic0487631","","","0.7107","MoKα","","0.0686","0.0517","","","0.1241","0.1357","","","","","","1.02","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4312366","13.5973","0.0009","13.9288","0.0009","14.0516","0.0009","90","","90.286","0.001","90","","2661.3","0.3","568","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K8 O27 S6 V2 -","- K8 O27 S6 V2 -","- K32 O108 S24 V8 -","4","2","","Søren B. Rasmussen; Rikke Mattsson Rasmussen; Rasmus Fehrmann; Kurt Nielsen","Crystal Structure and Spectroscopic Characterization of K8(VO)2O(SO4)6","Inorganic Chemistry","2003","42","","7123","7128","10.1021/ic0301674","","","0.71073","MoKα","","0.0772","0.0417","","","0.0749","0.0859","","","","","","0.947","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4312389","14.708","0.004","9.219","0.002","17.087","0.005","90","","110.62","0.003","90","","2168.5","1","153.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 Br9 Cl Cu6 S16 -","- C20 H16 Br9 Cl Cu6 S16 -","- C40 H32 Br18 Cl2 Cu12 S32 -","2","1","","Ryo Kanehama; Masamichi Umemiya; Fumiyasu Iwahori; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita; Yasukata Yokochi; Hiroshi Ito; Shin-ichi Kuroda; Hideo Kishida; Hiroshi Okamoto","Novel ET-Coordinated Copper(I) Complexes: Syntheses, Structures, and Physical Properties (ET = BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)","Inorganic Chemistry","2003","42","","7173","7181","10.1021/ic0344362","","","0.7107","MoKα","","","0.1002","","","","0.2438","","","","","","1.356","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312400","17.33","0.0003","12.09","0.0002","20.767","0.0004","90","","114.132","0.001","90","","3970.84","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H50 Cl2 N2 P2 Ru2 -","- C41 H50 Cl2 N2 P2 Ru2 -","- C164 H200 Cl8 N8 P8 Ru8 -","4","2","","Andrew D. Burrows; Mary F. Mahon; Steven P. Nolan; Maurizio Varrone","Diphosphines Possessing Electronically Different Donor Groups: Synthesis and Coordination Chemistry of the Unsymmetrical Di(N-pyrrolyl)phosphino-Functionalized dppm Analogue Ph2PCH2P(NC4H4)2","Inorganic Chemistry","2003","42","","7227","7238","10.1021/ic034487z","","","0.71073","MoKα","","0.0945","0.0508","","","0.1028","0.1186","","","","","","1.011","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312558","7.7008","0.0015","15.198","0.003","14.866","0.003","90","","94.03","0.03","90","","1735.6","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H22 F3 Mo N3 O6 S -","- C10 H21 F3 Mo N3 O6 S -","- C40 H84 F12 Mo4 N12 O24 S4 -","4","2","","David V. Partyka; Richard J. Staples; R. H. Holm","Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)","Inorganic Chemistry","2003","42","","7877","7886","10.1021/ic030185l","","","0.71073","MoKα","","0.0324","0.0311","","","0.0753","0.0779","","","","","","0.442","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312591","16.0495","0.0016","14.8692","0.0015","16.8874","0.0016","90","","98.977","0.002","90","","3980.7","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H16 Ag11 F45 N2 O25 -","- C49 H16 Ag11 F45 N2 O25 -","- C98 H32 Ag22 F90 N4 O50 -","2","1","","Xiao-Li Zhao; Quan-Ming Wang; Thomas C. W. Mak","Self-Assembled Silver Polyhedra with Embedded Acetylide Dianion Stabilized by Perfluorocarboxylate and 4-Hydroxyquinoline Ligands","Inorganic Chemistry","2003","42","","7872","7876","10.1021/ic034595l","","","0.71073","MoKα","","0.0697","0.0484","","","0.1081","0.1218","","","","","","1.056","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312601","9.055","0.0006","19.829","0.0014","12.2059","0.0008","90","","92.945","0.001","90","","2188.7","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Cl2 Mn N4 O8 -","- C18 H20 Cl2 Mn N4 O8 -","- C72 H80 Cl8 Mn4 N16 O32 -","4","2","","Sébastien Schoumacker; Olivier Hamelin; Jacques Pécaut; Marc Fontecave","Catalytic Asymmetric Sulfoxidation by Chiral Manganese Complexes: Acetylacetonate Anions as Chirality Switches","Inorganic Chemistry","2003","42","","8110","8116","10.1021/ic0346533","","","0.71073","MoKα","","0.0619","0.0357","","","0.0678","0.0753","","","","","","0.943","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312748","14.3873","0.0015","11.9307","0.0012","19.289","0.002","90","","102.69","0.01","90","","3230.1","0.6","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 Lu N8 O17 S3 -","- C51 H72 F9 Lu N8 O17 S3 -","- C102 H144 F18 Lu2 N16 O34 S6 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.0312","0.0292","","","0.0569","0.0588","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312749","14.761","0.003","11.596","0.002","19.354","0.003","90","","101.58","0.01","90","","3245.4","1","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 N8 O17 Pr S3 -","- C51 H72 F9 N8 O17 Pr S3 -","- C102 H144 F18 N16 O34 Pr2 S6 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.0328","0.0296","","","0.071","0.0731","","","","","","1.048","","","","has coordinates,has disorder","179166","2020-10-21","18:00:00",""
"4312750","14.757","0.003","11.587","0.003","19.305","0.005","90","","101.55","0.01","90","","3234.1","1.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 N8 Nd O17 S3 -","- C51 H72 F9 N8 Nd O17 S3 -","- C102 H144 F18 N16 Nd2 O34 S6 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.0259","0.0247","","","0.0645","0.0654","","","","","","1.072","","","","has coordinates,has disorder","179166","2020-10-21","18:00:00",""
"4312751","14.685","0.004","11.658","0.003","19.302","0.006","90","","101.78","0.01","90","","3234.9","1.6","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 N8 O17 S3 Sm -","- C51 H72 F9 N8 O17 S3 Sm -","- C102 H144 F18 N16 O34 S6 Sm2 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.1014","0.0559","","","0.0678","0.0772","","","","","","0.813","","","","has coordinates,has disorder","179166","2020-10-21","18:00:00",""
"4312752","14.6738","0.0005","11.6677","0.0004","19.2758","0.0006","90","","101.767","0.001","90","","3230.85","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 Eu F9 N8 O17 S3 -","- C51 H72 Eu F9 N8 O17 S3 -","- C102 H144 Eu2 F18 N16 O34 S6 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.0292","0.0268","","","0.0639","0.0656","","","","","","1.023","","","","has coordinates,has disorder","179166","2020-10-21","18:00:00",""
"4312753","14.666","0.003","11.674","0.002","19.236","0.004","90","","101.78","0.01","90","","3224","1.1","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 Gd N8 O17 S3 -","- C51 H72 F9 Gd N8 O17 S3 -","- C102 H144 F18 Gd2 N16 O34 S6 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.0303","0.0279","","","0.0655","0.0667","","","","","","1.045","","","","has coordinates,has disorder","179166","2020-10-21","18:00:00",""
"4312754","14.532","0.002","11.805","0.002","19.247","0.003","90","","102.16","0.01","90","","3227.7","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 Dy F9 N8 O17 S3 -","- C51 H72 Dy F9 N8 O17 S3 -","- C102 H144 Dy2 F18 N16 O34 S6 -","2","1","","David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake","Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series","Inorganic Chemistry","2003","42","","8646","8651","10.1021/ic030203z","","","0.71073","MoKα","","0.035","0.0302","","","0.0722","0.0745","","","","","","1.053","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312784","8.8022","0.0007","15.0721","0.0011","8.8024","0.0007","90","","99.612","0.002","90","","1151.4","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[H2B(3,5-(CF3)2Pz)2]Ag(2,4,6-collidine)","","","- C18 H15 Ag B F12 N5 -","- C18 H15 Ag B F12 N5 -","- C36 H30 Ag2 B2 F24 N10 -","2","1","","Mohammad A. Omary; Manal A. Rawashdeh-Omary; Himashinie V. K. Diyabalanage; H. V. Rasika Dias","Blue Phosphors of Dinuclear and Mononuclear Copper(I) and Silver(I) Complexes of 3,5-Bis(trifluoromethyl)pyrazolate and the Related Bis(pyrazolyl)borate","Inorganic Chemistry","2003","42","","8612","8614","10.1021/ic0347586","","","0.71073","MoKα","","0.0298","0.0297","","","0.0736","0.0737","","","","","","1.066","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312823","11.2008","0.0006","19.9816","0.0011","15.475","0.0009","90","","105.083","0.002","90","","3344.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 Ag F3 N2 O3 -","- C22 H21.3333 Ag F3 N2 O3 -","- C132 H128 Ag6 F18 N12 O18 -","6","3","","Nate Schultheiss; Douglas R. Powell; Eric Bosch","Anion Control of the Self-Assembly of 2,3-Diarylpyrazines with Silver(I) Salts","Inorganic Chemistry","2003","42","","8886","8890","10.1021/ic034994g","","","0.71073","MoKα","","0.049","0.0433","","","0.1033","0.1062","","","","","","1.057","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4312874","9.04","0.003","9.024","0.002","18.266","0.003","90","","92","0.03","90","","1489.2","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H34 Ce N4 Na2 O19 -","- C17 H24 Ce N4 Na2 O19 -","- C34 H48 Ce2 N8 Na4 O38 -","2","1","","F. Benetollo; Gabriella Bombieri; L. Calabi; S. Aime; M. Botta","Structural Variations Across the Lanthanide Series of Macrocyclic DOTA Complexes: Insights into the Design of Contrast Agents for Magnetic Resonance Imaging","Inorganic Chemistry","2003","42","","148","157","10.1021/ic025790n","","","0.71073","MoKα","","0.0712","0.0712","","","0.18511","0.1851","","","","","","1.033","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312901","7.5425","0.0006","13.12","0.001","9.4021","0.0007","90","","101.005","0.002","90","","913.3","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 Ag2 N14 O4 -","- C10 H12 Ag2 N14 O4 -","- C20 H24 Ag4 N28 O8 -","2","1","","Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic Characterization of Silver(I) Complexes with the Bis(1,2,4-triazol-1-yl)alkane Ligand tz2(CH2). X-ray Structures of Two- and Three-Dimensional Coordination Polymers","Inorganic Chemistry","2003","42","","112","117","10.1021/ic025981q","","","0.71073","MoKα","","0.037","0.032","","0.038","","0.036","","","1.067","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312920","9.467","0.001","13.846","0.001","11.616","0.001","90","","95.205","0.007","90","","1516.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Cl2 N6 O10 Zn2 -","- C22 H36 Cl2 N6 O10 Zn2 -","- C44 H72 Cl4 N12 O20 Zn4 -","2","1","","Elisabetta Berti; Andrea Caneschi; Carole Daiguebonne; Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Ni(II), Cu(II), and Zn(II) Dinuclear Metal Complexes with an Aza-Phenolic Ligand: Crystal Structures, Magnetic Properties, and Solution Studies","Inorganic Chemistry","2003","42","","348","357","10.1021/ic0204070","","","1.5418","CuKα","","0.0781","0.0643","","","0.1638","0.1818","","","","","","1.013","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4312984","6.9383","0.0005","14.0279","0.0009","7.0397","0.0005","90","","114.89","0.001","90","","621.53","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","NEODYMIUM MOLYBDENYL IODATE","","","- H I4 Mo Nd O15 -","- I4 Mo Nd O15 -","- I8 Mo2 Nd2 O30 -","2","1","","Thomas C. Shehee; Richard E. Sykora; Kang M. Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Hydrothermal Preparation, Structures, and NLO Properties of the Rare Earth Molybdenyl Iodates, RE(MoO2)(IO3)4(OH) [RE= Nd, Sm, Eu]","Inorganic Chemistry","2003","42","","457","462","10.1021/ic025992j","","","0.71073","MoKα","","0.0242","0.0235","","","0.05","0.0502","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312985","6.9243","0.0006","13.9633","0.0011","7.0229","0.0006","90","","114.681","0.001","90","","616.99","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","SAMARIUM MOLYBDENYL IODATE","","","- H I4 Mo O15 Sm -","- I4 Mo O15 Sm -","- I8 Mo2 O30 Sm2 -","2","1","","Thomas C. Shehee; Richard E. Sykora; Kang M. Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Hydrothermal Preparation, Structures, and NLO Properties of the Rare Earth Molybdenyl Iodates, RE(MoO2)(IO3)4(OH) [RE= Nd, Sm, Eu]","Inorganic Chemistry","2003","42","","457","462","10.1021/ic025992j","","","0.71073","MoKα","","0.0154","0.015","","","0.0329","0.033","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312986","6.9169","0.0006","13.9434","0.0011","7.017","0.0006","90","","114.542","0.001","90","","615.62","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","EUROPIUM MOLYBDENYL IODATE","","","- Eu H I4 Mo O15 -","- Eu I4 Mo O15 -","- Eu2 I8 Mo2 O30 -","2","1","","Thomas C. Shehee; Richard E. Sykora; Kang M. Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Hydrothermal Preparation, Structures, and NLO Properties of the Rare Earth Molybdenyl Iodates, RE(MoO2)(IO3)4(OH) [RE= Nd, Sm, Eu]","Inorganic Chemistry","2003","42","","457","462","10.1021/ic025992j","","","0.71073","MoKα","","0.0242","0.0223","","","0.0394","0.0399","","","","","","0.872","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313046","8.094","0.003","11.71","0.003","8.319","0.002","90","","114.982","0.014","90","","714.7","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Ni(GLABOH~3~)Cl~2~","Nickel(II) (N,N-bis(1-propan-2-onyl oxime)glycine N'-methylamide) chloride","","- C9 H18 Cl2 N4 Ni O3 -","- C9 H18 Cl2 N4 Ni O3 -","- C18 H36 Cl4 N8 Ni2 O6 -","2","1","","Michael J. Goldcamp; Sara E. Edison; Leah N. Squires; Dell T. Rosa; Neil K. Vowels; Nathan L. Coker; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of Nickel(II) Complexes with a Library of Bis(oxime)amine-Containing Ligands","Inorganic Chemistry","2003","42","","717","728","10.1021/ic025860q","","","0.71073","MoKα","","0.0272","0.0248","","","0.0579","0.0586","","","","","","1.046","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313049","7.9618","0.0003","16.6749","0.0006","11.0062","0.0004","90","","100.249","0.001","90","","1437.89","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Ni(PAMABPOH~3~)Cl~2~","Nickel(II) (N,N-bis(1-acetophenone oxime)-L-phenylalanine N'-methylamide) chloride ethanol solvate","","- C28 H34 Cl2 N4 Ni O4 -","- C28 H34 Cl2 N4 Ni O4 -","- C56 H68 Cl4 N8 Ni2 O8 -","2","1","","Michael J. Goldcamp; Sara E. Edison; Leah N. Squires; Dell T. Rosa; Neil K. Vowels; Nathan L. Coker; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of Nickel(II) Complexes with a Library of Bis(oxime)amine-Containing Ligands","Inorganic Chemistry","2003","42","","717","728","10.1021/ic025860q","","","0.71073","MoKα","","0.0429","0.0366","","","0.0917","0.0949","","","","","","1.02","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313097","17.117","0.003","16.692","0.005","17.399","0.004","90","","91.45","0.07","90","","4970","2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C83 H148 N4 O16 Si8 Zn4 -","- C83 H148 N4 O16 Si8 Zn4 -","- C166 H296 N8 O32 Si16 Zn8 -","2","1","","Ganapathi Anantharaman; Herbert W. Roesky; Hans-Georg Schmidt; Mathias Noltemeyer; Jiri Pinkas","Synthesis and X-ray Crystal Structure of [(THF)Zn(O2(OH)SiR)]4 (R = (2,6-i-Pr2C6H3)N(SiMe3)): Enroute to Larger Aggregates","Inorganic Chemistry","2003","42","","970","973","10.1021/ic020514u","","","0.71073","MoKα","","0.0775","0.0569","","","0.1386","0.1536","","","","","","1.05","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313116","11.7122","0.001","15.2306","0.001","15.0457","0.001","90","","112.433","0.01","90","","2480.8","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 B10 P -","- C20 H31 B10 P -","- C80 H124 B40 P4 -","4","2","","Sheldon G. Shore; Ewan J. M. Hamilton; Adam N. Bridges; Joseph Bausch; Jeanette A. Krause-Bauer; Danan Dou; Jianping Liu; Shengming Liu; Bin Du; Heather Hall; Edward A. Meyers; Karl E. Vermillion","The Solid State Structure of [B10H11]- and Its Dynamic NMR Spectra in Solution","Inorganic Chemistry","2003","42","","1175","1186","10.1021/ic020540s","","","0.71073","MoKα","","0.0593","0.0461","","","0.1098","0.1164","","","","","","1.029","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313182","8.222","0.003","13.983","0.004","9.332","0.003","90","","103.24","0.03","90","","1044.4","0.6","293.2","","293.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cu N5 O6 -","- C20 H21 Cu N5 O6 -","- C40 H42 Cu2 N10 O12 -","2","1","","Masahito Kodera; Yuuji Kajita; Yoshimitsu Tachi; Koji Kano","Structural Modulation of Cu(I) and Cu(II) Complexes of Sterically Hindered Tripyridine Ligands by the Bridgehead Alkyl Groups","Inorganic Chemistry","2003","42","","1193","1203","10.1021/ic026008m","","","0.7107","MoKα","","0.0395","0.04","","0.041","","0.041","","","1.985","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313288","11.5024","0.0002","18.4184","0.0003","23.658","0.0006","90","","102.898","0.0006","90","","4885.63","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H56 Fe N6 O4 -","- C56 H56 Fe N6 O4 -","- C224 H224 Fe4 N24 O16 -","4","2","","Gérard Simonneaux; Marwan Kobeissi; Loîc Toupet","Electronic Structure of Iron Chlorins: Characterization of Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(III)triflate and Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(II)","Inorganic Chemistry","2003","42","","1644","1651","10.1021/ic026039h","","","0.71069","MoKα","","0.1288","0.0591","","","0.14","0.1744","","","","","","1.005","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313308","7.175","0.005","17.555","0.012","7.663","0.005","90","","115.857","0.011","90","","868.6","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs2SnAs2Se9","","- As2 Cs2 Se9 Sn -","- As2 Cs2 Se9 Sn -","- As4 Cs4 Se18 Sn2 -","2","1","","Ratnasabapathy G. Iyer; Junghwan Do; Mercouri G. Kanatzidis","Flux Synthesis of the Noncentrosymmetric Cluster Compounds Cs2SnAs2Q9 (Q = S, Se) Containing Two Different Polychalcoarsenite β-[AsQ4]3- and [AsQ5]3- Ligands","Inorganic Chemistry","2003","42","","1475","1482","10.1021/ic0260771","","","0.71073","MoKα","","0.2744","0.0848","","","0.1594","0.2332","","","","","","0.802","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313328","9.096","0.002","15.374","0.003","10.9","0.002","90","","100.26","0.02","90","","1499.9","0.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[LOETiCl3]","","","- C17 H35 Cl3 Co O9 P3 Ti -","- C17 H35 Cl3 Co O9 P3 Ti -","- C34 H70 Cl6 Co2 O18 P6 Ti2 -","2","1","","Tony C. H. Lam; Eddie Y. Y. Chan; Wing-Leung Mak; Samuel M. F. Lo; Ian D. Williams; Wing-Tak Wong; Wa-Hung Leung","Half-Sandwich Titanium(IV) Complexes with Kläui's Tripod Ligand","Inorganic Chemistry","2003","42","","1842","1847","10.1021/ic020287w","","","0.71073","MoKα","","0.0807","0.0507","","0.1398","0.1155","","","","1.031","1.073","1.073","","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313432","10.3594","0.0008","13.51","0.0007","13.7923","0.0008","90","","94.701","0.002","90","","1923.8","0.2","298.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H28 Co N6 O11 P3 -","- C6 H24 Co N6 O11 P3 -","- C24 H96 Co4 N24 O44 P12 -","4","2","","Toshio Nakashima; Junichi Mishiro; Masami Ito; Genichiro Kura; Yuichi Ikuta; Naohide Matsumoto; Kiyohiko Nakajima; Masaaki Kojima","Homochiral Column Structure of rac- and Λ-Tris(ethylenediamine)cobalt(III) Cyclotriphosphate Dihydrate in Crystal Structures and Cation-Anion Association in Aqueous Solution","Inorganic Chemistry","2003","42","","2323","2330","10.1021/ic0260623","","","0.7107","MoKα","","","0.0425","","","","0.1133","","","","","","1.35","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313559","7.101","0.002","9.989","0.003","9.209","0.003","90","","93.932","0.006","90","","651.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tetrakis(imidazolyl)borate conjugate acid","","","- C12 H13 B N8 -","- C12 H13 B N8 -","- C24 H26 B2 N16 -","2","1","","Barton H. Hamilton; Kathryn A. Kelly; Wilhelm Malasi; Christopher J. Ziegler","Tetrakis(imidazolyl)borate-Based Coordination Polymers: Group II Network Solids, M[B(Im)4]2(H2O)2 (M = Mg, Ca, Sr)","Inorganic Chemistry","2003","42","","3067","3073","10.1021/ic026244x","","","0.71073","MoKα","","0.0597","0.0559","","","0.1502","0.1522","","","","","","1.137","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4313568","11.516","0.002","19.117","0.004","21.765","0.004","90","","98.754","0.005","90","","4735.8","1.6","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H56 Cl4 Cu6 N4.5 O0.5 S4 -","- C31 H56 Cl4 Cu6 N4.5 O0.5 S4 -","- C124 H224 Cl16 Cu24 N18 O2 S16 -","4","2","","Matthew L. Miller; Said A. Ibrahim; Melissa L. Golden; Marcetta Y. Darensbourg","Adamantane-like Cluster Complexes of Mixed-Valent Copper-Copper and Nickel-Copper Thiolates","Inorganic Chemistry","2003","42","","2999","3007","10.1021/ic0262684","","","0.71073","MoKα","","0.0864","0.0611","","","0.1482","0.1594","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313569","11.427","0.002","19.027","0.004","21.759","0.004","90","","98.842","0.004","90","","4674.7","1.5","110","2","110","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29.5 H60 Cl4 Cu4 N4 Ni2 O1.5 S4 -","- C29.5 H60 Cl4 Cu4 N4 Ni2 O1.5 S4 -","- C118 H240 Cl16 Cu16 N16 Ni8 O6 S16 -","4","2","","Matthew L. Miller; Said A. Ibrahim; Melissa L. Golden; Marcetta Y. Darensbourg","Adamantane-like Cluster Complexes of Mixed-Valent Copper-Copper and Nickel-Copper Thiolates","Inorganic Chemistry","2003","42","","2999","3007","10.1021/ic0262684","","","0.71073","MoKα","","0.0945","0.0709","","","0.1657","0.1752","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313602","11.1128","0.0001","14.2208","0.0002","13.1669","0.0002","90","0.0006","75.2424","0.0005","90","0.0006","2012.16","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H48 N O5 P -","- C46 H48 N O5 P -","- C92 H96 N2 O10 P2 -","2","1","","A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes","Influence of Hydrogen Bonding in Competition with Lattice Interactions on Carbonyl Coordination at Phosphorus. Implications for Phosphoryl Transfer Activated States1","Inorganic Chemistry","2003","42","","3285","3292","10.1021/ic020666p","","","0.71073","MoKα","","0.0524","0.0411","","","0.1016","0.1091","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4313648","6.8729","0.0001","9.0444","0.0002","14.4899","0.0001","90","","103.42","0.001","90","","876.12","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O2 Pd -","- C17 H26 N2 O2 Pd -","- C34 H52 N4 O4 Pd2 -","2","1","","Yongxin Li; S. Selvaratnam; Jagadese J. Vittal; Pak-Hing Leung","A Rational Approach to the Design and Synthesis of Chiral Organopalladium-Amine Complexes","Inorganic Chemistry","2003","42","","3229","3236","10.1021/ic030018l","","","0.71073","MoKα","","0.0226","0.0212","","","0.0556","0.0561","","","","","","1.015","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313685","7.5982","0.0001","12.3969","0.0003","20.9815","0.0005","90","","90.34","0.02","90","","1976.3","0.07","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C41 H44 Mn2 N4 O13 -","- C41 H44 Mn2 N4 O13 -","- C82 H88 Mn4 N8 O26 -","2","1","","Changneng Chen; Deguang Huang; Xiaofeng Zhang; Feng Chen; Hongping Zhu; Qiutian Liu; Cunxi Zhang; Daizheng Liao; Licun Li; Licheng Sun","Aggregate Manganese Schiff Base Moieties by Terephthalate or Acetate: Dinuclear Manganese and Trinuclear Mixed Metal Mn2/Na Complexes","Inorganic Chemistry","2003","42","","3540","3548","10.1021/ic025944z","","","0.71073","MoKα","","","0.0522","","","0.1369","0.1555","","","","","","1.076","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4313774","12.0548","0.0011","16.139","0.002","12.1804","0.001","90","","100.742","0.009","90","","2328.2","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H57 B2 F12 N3 O2 P Rh -","- C45 H57 B2 F12 N3 O2 P Rh -","- C90 H114 B4 F24 N6 O4 P2 Rh2 -","2","1","","M. Aránzazu Alonso; Juan A. Casares; Pablo Espinet; Katerina Soulantica; A. Guy Orpen; Hirihattaya Phetmung","Conformational Preferences Driven by the C-Methyl Substituent in Chelated o-Diphenylphosphino-α-methyl-N,N-dimethylbenzylamine Rhodium Complexes","Inorganic Chemistry","2003","42","","3856","3864","10.1021/ic034117a","","","0.71073","MoKα","","0.0373","0.031","","0.0688","0.0668","","","","1.001","1.033","1.033","","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313847","8.434","0.004","18.966","0.008","10.336","0.005","90","","96.686","0.009","90","","1642.1","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Fe2 I6 O4 Si2 -","- C18 H20 Fe2 I6 O4 Si2 -","- C36 H40 Fe4 I12 O8 Si4 -","2","1","","Huailin Sun; Zhensheng Zhang; Yanbin Pan; Jian Yang; Xiuzhong Zhou","Chemistry of the Si-Si and Fe-Fe Bonds in the Cyclic Structure (Me2SiSiMe2)[η5-C5H4Fe(CO)2]2. Selective Cleavage of the Fe-Fe Bond by I2 and Unexpected Properties of the Iodide","Inorganic Chemistry","2003","42","","4076","4081","10.1021/ic034156m","","","0.71073","MoKα","","0.096","0.0504","","","0.093","0.1088","","","","","","0.992","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313896","10.8085","0.0003","11.1557","0.0003","14.8947","0.0004","90","","103.075","0.002","90","","1749.39","0.08","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl F3 N2 O3 Pt S Te -","- C33 H40 Cl F3 N2 O3 Pt S Te -","- C66 H80 Cl2 F6 N4 O6 Pt2 S2 Te2 -","2","1","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Oxidative Addition of Ph2TeCl2 to a Dimethylplatinum(II) Complex: Effects of Secondary Bonding in the Platinum-Tellurium Products","Inorganic Chemistry","2003","42","","4553","4558","10.1021/ic030057x","","","0.71073","MoKα","","0.0635","0.0599","","","0.1513","0.1543","","","","","","1.028","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313986","9.6367","0.0005","17.1252","0.0011","10.4777","0.0005","90","","108.144","0.0028","90","","1643.17","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","[W{(2-C5NH4)C(Me)(CH2NSiMe3)2}(NPh)Ph2]","","- C33 H44 N4 Si2 W -","- C33 H44 N4 Si2 W -","- C66 H88 N8 Si4 W2 -","2","1","","Benjamin D. Ward; Stuart R. Dubberley; Lutz H. Gade; Philip Mountford","Group 6 Imido Complexes Supported by Diamido-Donor Ligands","Inorganic Chemistry","2003","42","","4961","4969","10.1021/ic034377s","","","0.71073","MoKα","","","0.0642","","","","0.0683","","","","","","0.9146","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4314005","14.962","0.003","16.981","0.003","15.52","0.003","90","","95.289","0.006","90","","3926.4","1.3","82","2","82","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C80 H64 Cl3 N5.33 -","- C72.6667 H42 Cl2.02067 N2.66667 -","- C218 H126 Cl6.062 N8 -","3","1.5","","Tilak Chandra; Brian J. Kraft; John C. Huffman; Jeffrey M. Zaleski","Synthesis and Structural Characterization of Porphyrinic Enediynes: Geometric and Electronic Effects on Thermal and Photochemical Reactivity","Inorganic Chemistry","2003","42","","5158","5172","10.1021/ic030035a","","","0.71073","MoKα","","0.1661","0.1152","","","0.2942","0.3256","","","","","","1.048","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314052","9.698","0.004","6.53","0.003","10.034","0.004","90","","101.368","0.006","90","","623","0.5","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","[K(DIP)]infinite","","","- C12 H17 K O -","- C12 H17 K O -","- C24 H34 K2 O2 -","2","1","","Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu","Structural Variations of Potassium Aryloxides","Inorganic Chemistry","2003","42","","5357","5366","10.1021/ic034222k","","","0.71073","MoKα","","0.0434","0.0338","","","0.0741","0.078","","","","","","1.037","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314089","10.188","0.003","11.726","0.004","16.051","0.005","90","","106.969","0.006","90","","1834","1","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H57 Ag2 P3 S3 Si2 -","- C22 H32 Ag2 P3 S3 Si2 -","- C44 H64 Ag4 P6 S6 Si4 -","2","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Coordination Chemistry of Silanedithiolato Ligands Derived from Cyclotrisilathiane: Synthesis and Structures of Complexes of Iron(II), Cobalt(II), Palladium(II), Copper(I), and Silver(I)","Inorganic Chemistry","2003","42","","5340","5347","10.1021/ic0343253","","","0.7107","MoKα","","","0.042","","","","0.097","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314091","12.013","0.0002","10.931","0.0002","16.879","0.0004","90","","110.486","0.001","90","","2076.28","0.07","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","1',1'''-bis((R)-2-phenylbutyl)-1,1''- biferrocenium pentaiodide","","- C40 H42 Fe2 I5 -","- C40 H42 Fe2 I5 -","- C80 H84 Fe4 I10 -","2","1","","Takashi Oda; Satoru Nakashima; Tsutomu Okuda","Mixed-Valence State of Optically Active 1',1'''-Bis(2-phenylbutyl)-1,1''-biferrocenium Pentaiodide: Effects of Cation Symmetry and Intermolecular Interaction on Trapped-/Detrapped-Valence States","Inorganic Chemistry","2003","42","","5376","5383","10.1021/ic0343455","","","0.7107","MoKα","","","0.054","","","","0.065","","","","","","6.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314092","12.014","0.0002","10.917","0.0002","16.89","0.0005","90","","110.525","0.001","90","","2074.61","0.08","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","1',1'''-bis((S)-2-phenylbutyl)-1,1''- biferrocenium pentaiodide","","- C40 H42 Fe2 I5 -","- C40 H42 Fe2 I5 -","- C80 H84 Fe4 I10 -","2","1","","Takashi Oda; Satoru Nakashima; Tsutomu Okuda","Mixed-Valence State of Optically Active 1',1'''-Bis(2-phenylbutyl)-1,1''-biferrocenium Pentaiodide: Effects of Cation Symmetry and Intermolecular Interaction on Trapped-/Detrapped-Valence States","Inorganic Chemistry","2003","42","","5376","5383","10.1021/ic0343455","","","0.7107","MoKα","","","0.067","","","","0.071","","","","","","5.513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314093","12.039","0.0006","10.933","0.0006","16.856","0.001","90","","110.378","0.002","90","","2079.8","0.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Racemic Modification of 1',1'''-Bis(2-phenylbutyl)-1,1''- biferrocenium pentaiodide","","- C40 H42 Fe2 I5 -","- C40 H40 Fe2 I5 -","- C80 H80 Fe4 I10 -","2","1","","Takashi Oda; Satoru Nakashima; Tsutomu Okuda","Mixed-Valence State of Optically Active 1',1'''-Bis(2-phenylbutyl)-1,1''-biferrocenium Pentaiodide: Effects of Cation Symmetry and Intermolecular Interaction on Trapped-/Detrapped-Valence States","Inorganic Chemistry","2003","42","","5376","5383","10.1021/ic0343455","","","0.7107","MoKα","","","0.079","","","","0.086","","","","","","5.721","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314136","13.2976","0.0005","10.9599","0.0004","13.9542","0.0005","90","","112.72","0.01","90","","1875.88","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 Fe N5 O2 -","- C40 H50 Fe N5 O2 -","- C80 H100 Fe2 N10 O4 -","2","1","","Hyungphil Chun; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","S =3/2 <‒> S =1/2 Spin Crossover Behavior in Five-Coordinate Halido- and Pseudohalido-bis(o-iminobenzosemiquinonato)iron(III) Complexes","Inorganic Chemistry","2003","42","","5612","5620","10.1021/ic0301526","","","0.71073","MoKα","","0.0363","0.0337","","","0.085","0.0867","","","","","","1.047","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314137","13.2961","0.0004","11.1489","0.0004","14.1492","0.0004","90","","112.94","0.01","90","","1931.55","0.18","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 Fe N5 O2 -","- C40 H50 Fe N5 O2 -","- C80 H100 Fe2 N10 O4 -","2","1","","Hyungphil Chun; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","S =3/2 <‒> S =1/2 Spin Crossover Behavior in Five-Coordinate Halido- and Pseudohalido-bis(o-iminobenzosemiquinonato)iron(III) Complexes","Inorganic Chemistry","2003","42","","5612","5620","10.1021/ic0301526","","","0.71073","MoKα","","0.0495","0.0355","","","0.0858","0.093","","","","","","1.01","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314201","7.5158","0.0006","7.5207","0.0006","17.9669","0.0015","90","","100.012","0.001","90","","1000.1","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H24 Cl4 Cu2 N4 O -","- C15 H24 Cl4 Cu2 N4 O -","- C30 H48 Cl8 Cu4 N8 O2 -","2","1","","Arunendu Mondal; Eric L. Klein; Masood A. Khan; Robert P. Houser","TACN-Amino Acid Conjugates and Their Copper(II) Complexes","Inorganic Chemistry","2003","42","","5462","5464","10.1021/ic034598y","","","0.71073","MoKα","","0.0238","0.0221","","","0.0492","0.0497","","","","","","1.005","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314300","8.7021","0.0001","21.066","0.0003","12.5399","0.0002","90","0.0006","105.507","0.0007","90","0.001","2215.11","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H81 Cl O4 Si3 W -","- C36 H81 Cl O4 Si3 W -","- C72 H162 Cl2 O8 Si6 W2 -","2","1","","Adam S. Veige; LeGrande M. Slaughter; Emil B. Lobkovsky; Peter T. Wolczanski; Nikita Matsunaga; Stephen A. Decker; Thomas R. Cundari","Symmetry and Geometry Considerations of Atom Transfer: Deoxygenation of (silox)3WNO and R3PO (R = Me, Ph,tBu) by (silox)3M (M = V, NbL (L = PMe3, 4-Picoline), Ta; silox =tBu3SiO)","Inorganic Chemistry","2003","42","","6204","6224","10.1021/ic0300114","","","0.71073","MoKα","","0.0364","0.0345","","","0.0904","0.0915","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314347","5.249","0.001","14.133","0.003","5.275","0.001","90","","105.55","0.02","90","","377","0.13","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C2 H9 Cl Cr N O4 P -","- C2 H7 Cl Cr N O4 P -","- C4 H14 Cl2 Cr2 N2 O8 P2 -","2","1","","Elvira M. Bauer; Carlo Bellitto; Marcello Colapietro; Gustavo Portalone; Guido Righini","Cr[(H3N-(CH2)2-PO3)(Cl)(H2O)]: X-Ray Single-Crystal Structure and Magnetism of a Polar Organic-Inorganic Hybrid Chromium(II) Organophosphonate","Inorganic Chemistry","2003","42","","6345","6351","10.1021/ic0343197","","","0.71069","MoKα","","0.024","0.024","","0.035","0.035","0.035","","","0.84","0.84","0.84","0.84","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314488","7.0712","0.0003","15.8916","0.0007","9.497","0.0004","90","","105.493","0.001","90","","1028.42","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 Cu N5 O2 -","- C24 H19 Cu N5 O2 -","- C48 H38 Cu2 N10 O4 -","2","1","","Dmitry Pogozhev; Stéphane A. Baudron; Mir Wais Hosseini","Assembly of Heteroleptic Copper Complexes with Silver Salts: From Discrete Trinuclear Complexes to Infinite Networks","Inorganic Chemistry","2010","49","","331","338","10.1021/ic902057d","","","0.71073","MoKα","","0.029","0.0272","","","0.0661","0.0678","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314522","19.4806","0.0019","15.6254","0.0015","23.555","0.002","90","","105.766","0.002","90","","6900.2","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Er F15 O3 Se3 -","- C30 H24 Er F15 O3 Se3 -","- C240 H192 Er8 F120 O24 Se24 -","8","4","","Karsten Krogh-Jespersen; Michael D. Romanelli; Jonathan H. Melman; Thomas J. Emge; John G. Brennan","Covalent Bonding and the Trans Influence in Lanthanide Compounds","Inorganic Chemistry","2010","49","","552","560","10.1021/ic901571m","","","0.71073","MoKα","","0.0623","0.0433","","","0.0966","0.1035","","","","","","1.009","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314575","10.9527","0.0017","39.602","0.006","13.043","0.002","90","","113.813","0.003","90","","5175.8","1.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H93 Cl Mn8 N12 O35 -","- C88 H85 Cl Mn8 N12 O35 -","- C176 H170 Cl2 Mn16 N24 O70 -","2","1","","Constantinos C. Stoumpos; Olivier Roubeau; Guillem Aromí; Anastasios J. Tasiopoulos; Vassilios Nastopoulos; Albert Escuer; Spyros P. Perlepes","""Depolymerization"" Approach in Mn Cluster Chemistry: Controlled Cleavage of a 1D Coordination Polymer Consisting of Mn8 Units in Its Constituent, Discrete Mn8 Complex","Inorganic Chemistry","2010","49","","359","361","10.1021/ic901974d","","","0.7749","synchrotron","","0.0839","0.0694","","","0.1749","0.1838","","","","","","1.013","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314655","10.1909","0.0019","19.015","0.004","12.082","0.002","90","","113.902","0.004","90","","2140.5","0.7","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H30 Dy F9 N2 O6 S3 -","- C41 H30 Dy F9 N2 O6 S3 -","- C82 H60 Dy2 F18 N4 O12 S6 -","2","1","","Ying Wang; Xi-Li Li; Tian-Wei Wang; You Song; Xiao-Zeng You","Slow Relaxation Processes and Single-Ion Magnetic Behaviors in Dysprosium-Containing Complexes","Inorganic Chemistry","2010","49","","969","976","10.1021/ic901720a","","","0.71073","MoKα","","0.0635","0.0474","","","0.0929","0.0963","","","","","","1.067","","","","has coordinates,has disorder","179224","2020-10-21","18:00:00",""
"4314658","9.604","0.003","10.305","0.004","15.223","0.006","90","","92.857","0.008","90","","1504.7","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 N6 P S3 V -","- C30 H30 N6 P S3 V -","- C60 H60 N12 P2 S6 V2 -","2","1","","Shengfa Ye; Frank Neese; Andrew Ozarowski; Dmitry Smirnov; J. Krzystek; Joshua Telser; Ju-Hsiou Liao; Chen-Hsiung Hung; Wei-Chen Chu; Yi-Feng Tsai; Rong-Chin Wang; Kun-Yuan Chen; Hua-Fen Hsu","Family of V(III)-Tristhiolato Complexes Relevant to Functional Models of Vanadium Nitrogenase: Synthesis and Electronic Structure Investigations by Means of High-Frequency and -Field Electron Paramagnetic Resonance Coupled to Quantum Chemical Computations.","Inorganic Chemistry","2010","49","","977","988","10.1021/ic9017745","","","0.71073","MoKα","","0.193","0.0813","","","0.19","0.2734","","","","","","0.885","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314664","9.6961","0.0004","10.1443","0.0004","22.3638","0.0009","90","","91.964","0.002","90","","2198.41","0.15","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H46 Cl5 N O5 P2 Pd -","- C43 H46 Cl5 N O5 P2 Pd -","- C86 H92 Cl10 N2 O10 P4 Pd2 -","2","1","","Mingjun Yuan; Na Zhang; Sumod A. Pullarkat; Yongxin Li; Fengli Liu; Phuong-Tu Pham; Pak-Hing Leung","Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral Palladium Complex Promoted Hydrophosphination of Activated Olefins","Inorganic Chemistry","2010","49","","989","996","10.1021/ic9018053","","","0.71073","MoKα","","0.0499","0.0465","","","0.0931","0.0959","","","","","","1.155","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314695","9.024","0.005","24.784","0.005","9.108","0.005","90","0.005","106.965","0.005","90","0.005","1948.4","1.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H55 Cu N4 S3 Si -","- C38 H55 Cu N4 S3 Si -","- C76 H110 Cu2 N8 S6 Si2 -","2","1","","Stanislav Groysman; Amit Majumdar; Shao-Liang Zheng; R. H. Holm","Reactions of Monodithiolene Tungsten(VI) Sulfido Complexes with Copper(I) in Relation to the Structure of the Active Site of Carbon Monoxide Dehydrogenase","Inorganic Chemistry","2010","49","","1082","1089","10.1021/ic902066m","","","0.71073","MoKα","","0.0799","0.0509","","","0.0808","0.0851","","","","","","1.06","","","","has coordinates,has disorder","179224","2020-10-21","18:00:00",""
"4314698","12.8405","0.0015","11.762","0.0013","14.3373","0.0017","90","","106.866","0.002","90","","2072.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H41 N S Si -","- C17 H41 N S Si -","- C68 H164 N4 S4 Si4 -","4","2","","Stanislav Groysman; Amit Majumdar; Shao-Liang Zheng; R. H. Holm","Reactions of Monodithiolene Tungsten(VI) Sulfido Complexes with Copper(I) in Relation to the Structure of the Active Site of Carbon Monoxide Dehydrogenase","Inorganic Chemistry","2010","49","","1082","1089","10.1021/ic902066m","","","0.71073","MoKα","","0.0553","0.0421","","","0.0895","0.0946","","","","","","1.046","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314766","10.499","0.002","5.9685","0.0012","17.833","0.004","90","","90.79","0.03","90","","1117.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 As N2 O2 -","- C24 H27 As N2 O2 -","- C48 H54 As2 N4 O4 -","2","1","","Antonio R. Tapia-Benavides; Luis H. Mendoza-Huizar; Francisco Pérez-García; Hugo Tlahuext; Alejandro Alvarez; Margarita Tlahuextl","Do Spiroarsoranes Exhibit Polytopal Equilibrium in Solution?","Inorganic Chemistry","2010","49","","1496","1502","10.1021/ic901740d","","","0.71073","MoKα","","0.0538","0.0486","","","0.1305","0.1527","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314826","9.7139","0.0014","17.114","0.003","18.083","0.003","90","","91.271","0.002","90","","3005.4","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H66 N5 Na Ni2 O10 S -","- C66 H66 N5 Na Ni2 O10 S -","- C132 H132 N10 Na2 Ni4 O20 S2 -","2","1","","Yan Sui; Dong-Ping Li; Cheng-Hui Li; Xin-Hui Zhou; Tao Wu; Xiao-Zeng You","Ionic Ferroelectrics Based on Nickel Schiff Base Complexes","Inorganic Chemistry","2010","49","","1286","1288","10.1021/ic902136f","","","0.71073","MoKα","","0.0831","0.0589","","","0.1399","0.1501","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314827","9.729","0.005","17.13","0.008","18.095","0.009","90","","91.143","0.007","90","","3015","3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H66 N5 Na Ni2 O10 S -","- C66 H66 N5 Na Ni2 O10 S -","- C132 H132 N10 Na2 Ni4 O20 S2 -","2","1","","Yan Sui; Dong-Ping Li; Cheng-Hui Li; Xin-Hui Zhou; Tao Wu; Xiao-Zeng You","Ionic Ferroelectrics Based on Nickel Schiff Base Complexes","Inorganic Chemistry","2010","49","","1286","1288","10.1021/ic902136f","","","0.71073","MoKα","","0.1033","0.0722","","","0.1586","0.1704","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314845","10.65689","0.00011","13.57473","0.00013","18.59207","0.00017","90","","101.329","0.0009","90","","2637.21","0.05","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H61 Au F6 N2 O P2 S2 -","- C50 H61 Au F6 N2 O P2 S2 -","- C100 H122 Au2 F12 N4 O2 P4 S4 -","2","1","","Saira Naeem; Lionel Delaude; Andrew J. P. White; James D. E. T. Wilton-Ely","The Use of Imidazolium-2-dithiocarboxylates in the Formation of Gold(I) Complexes and Gold Nanoparticles","Inorganic Chemistry","2010","49","4","1784","1793","10.1021/ic9021504","","","0.71073","MoKα","","0.0281","0.021","","","0.0323","0.0328","","","","","","0.896","","","","has coordinates,has disorder","179228","2020-10-21","18:00:00",""
"4315005","10.7937","0.0014","12.3268","0.0016","15.0167","0.0019","90","","105.631","0.002","90","","1924.1","0.4","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H41 Cl6 N3 Ti -","- C36 H41 Cl6 N3 Ti -","- C72 H82 Cl12 N6 Ti2 -","2","1","","Kensha Marie Clark; Joseph W. Ziller; Alan F. Heyduk","Steric Control of Coordination Geometry in Titanium-Imido Complexes of N,N'-bis(arylimino)acenaphthylene Ligands","Inorganic Chemistry","2010","49","","2222","2231","10.1021/ic902101z","","","0.71073","MoKα","","0.074","0.0557","","","0.1299","0.1421","","","","","","1.033","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315039","10.616","0.003","18.225","0.004","17.992","0.004","90","","91.995","0.013","90","","3478.9","1.5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H114 N6 O2 Si4 Zn2 -","- C58 H114 N6 O2 Si4 Zn2 -","- C116 H228 N12 O4 Si8 Zn4 -","2","1","","Donald J. Darensbourg; Osit Karroonnirun","Ring-Opening Polymerization of Lactides Catalyzed by Natural Amino-Acid Based Zinc Catalysts","Inorganic Chemistry","2010","49","","2360","2371","10.1021/ic902271x","","","1.54178","CuKα","","0.0515","0.0402","","","0.0963","0.103","","","","","","1.077","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315040","15.315","0.007","10.089","0.005","26.19","0.013","90","","104.946","0.006","90","","3910","3","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H67 N3 O S Si2 Zn -","- C33 H67 N3 O S Si2 Zn -","- C132 H268 N12 O4 S4 Si8 Zn4 -","4","2","","Donald J. Darensbourg; Osit Karroonnirun","Ring-Opening Polymerization of Lactides Catalyzed by Natural Amino-Acid Based Zinc Catalysts","Inorganic Chemistry","2010","49","","2360","2371","10.1021/ic902271x","","","0.71073","MoKα","","0.0408","0.0347","","","0.0899","0.0927","","","","","","1.032","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315076","12.4671","0.0005","13.1459","0.0005","19.7961","0.0008","90","","98.983","0.001","90","","3204.6","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(NEt4)3[Mo2(Cl4C6O2)4(OCH3)(O)]","","","- C49 H63 Cl16 Mo2 N3 O10 -","- C49 H63 Cl16 Mo2 N3 O10 -","- C98 H126 Cl32 Mo4 N6 O20 -","2","1","","Jason Christ; Corinne Epps; Victoria Pritchard; Derek Schmeh; Cortlandt Pierpont; Ebbe Nordlander","Synthesis and Reactivity of Catecholate Complexes Containing Quadruply Bonded Metal Ions","Inorganic Chemistry","2010","49","","2029","2031","10.1021/ic902328m","","","0.71073","MoKα","","0.0743","0.0596","","0.1454","0.1352","","","","1.016","1.049","1.049","","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315093","11.1505","0.0006","12.2155","0.0006","19.0791","0.001","90","","105.752","0.002","90","","2501.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H82 Gd N3 O2 -","- C55 H82 Gd N3 O2 -","- C110 H164 Gd2 N6 O4 -","2","1","","Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm","Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2010","49","","2435","2446","10.1021/ic9024052","","","0.71073","MoKα","","0.0223","0.0198","","","0.0442","0.0448","","","","","","1.045","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315114","5.18114","0.0002","6.34786","0.00019","23.7254","0.0018","90","","102.569","0.007","90","","761.61","0.07","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- O10 P2 Ti -","- O10 P2 Ti -","- O40 P8 Ti4 -","4","2","","Santiago García-Granda; Sergei A. Khainakov; Aranzazu Espina; José R. García; Germán R. Castro; João Rocha; Luís Mafra","Revisiting the Thermal Decomposition of Layered γ-Titanium Phosphate and Structural Elucidation of Its Intermediate Phases","Inorganic Chemistry","2010","49","","2630","2638","10.1021/ic901254j","","x-ray","0.82626","","","","","","","","","","","1.28","","","","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315115","5.036","","6.264","","23.67","","90","","102.41","","90","","729.236","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 O9 P2 Ti -","- H2 O9 P2 Ti -","- H8 O36 P8 Ti4 -","4","2","","Santiago García-Granda; Sergei A. Khainakov; Aranzazu Espina; José R. García; Germán R. Castro; João Rocha; Luís Mafra","Revisiting the Thermal Decomposition of Layered γ-Titanium Phosphate and Structural Elucidation of Its Intermediate Phases","Inorganic Chemistry","2010","49","","2630","2638","10.1021/ic901254j","","","","","","","","","","","","","","","","","","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315130","9.6394","0.0019","8.3158","0.0016","22.717","0.005","90","","93.117","0.003","90","","1818.3","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C25 H40 Ga4 N2 O18 P6 -","- C25 H40 Ga4 N2 O18 P6 -","- C50 H80 Ga8 N4 O36 P12 -","2","1","","Martin P. Attfield; Zhanhui Yuan; Howard G. Harvey; William Clegg","Structural Variety within Gallium Diphosphonates Affected by the Organic Linker Length","Inorganic Chemistry","2010","49","","2656","2666","10.1021/ic901651d","","x-ray","0.71073","MoKα","","0.0402","0.0376","","","0.102","0.1045","","","","","","1.075","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315185","6.4534","0.0004","21.2535","0.0012","6.4548","0.0004","90","","119.874","0.001","90","","767.68","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Uranyl borate","","","- B9 O22 U2 -","- B9 O22 U2 -","- B18 O44 U4 -","2","1","","Shuao Wang; Evgeny V. Alekseev; Jared T. Stritzinger; Wulf Depmeier; Thomas E. Albrecht-Schmitt","How are Centrosymmetric and Noncentrosymmetric Structures Achieved in Uranyl Borates?","Inorganic Chemistry","2010","49","","2948","2953","10.1021/ic902480n","","","0.71073","MoKα","","0.0328","0.0316","","","0.0721","0.0725","","","","","","1.24","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315212","11.485","0.004","20.61","0.008","14.784","0.005","90","","99.118","0.007","90","","3455","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis Fe(III)porphyrin perchlorato, 2c","","","- C74 H92 Cl2 Fe2 N8 O9 -","- C74 H92 Cl2 Fe2 N8 O9 -","- C148 H184 Cl4 Fe4 N16 O18 -","2","1","","Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath","Synthesis and Characterization of anti-bisFe(III) Porphyrins, syn-bisFe(III)-μ-oxo Porphyrin, and syn-bisFe(III)-μ-oxo Porphyrin Cation Radical","Inorganic Chemistry","2010","49","","3449","3460","10.1021/ic100002c","","","0.71073","MoKα","","0.1311","0.0912","","","0.2107","0.2421","","","","","","1.038","","","","has coordinates,has disorder","179232","2020-10-21","18:00:00",""
"4315217","9.7882","0.0006","10.3914","0.0006","10.3951","0.0007","90","","97.54","0.002","90","","1048.18","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07223","","","- C20 H33 Cu N2 O3 -","- C20 H33 Cu N2 O3 -","- C40 H66 Cu2 N4 O6 -","2","1","","Aalo K. Gupta; William B. Tolman","Copper/α-Ketocarboxylate Chemistry With Supporting Peralkylated Diamines: Reactivity of Copper(I) Complexes and Dicopper-Oxygen Intermediates","Inorganic Chemistry","2010","49","","3531","3539","10.1021/ic100032n","","","0.71073","MoKα","","0.0309","0.0249","","","0.0599","0.0632","","","","","","1.007","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315242","10.1477","0.0006","19.4929","0.0012","14.3962","0.0008","90","","109.867","0.004","90","","2678.2","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 B2 Li N7 O -","- C26 H30 B2 Li N7 O -","- C104 H120 B8 Li4 N28 O4 -","4","2","","Elena V. Mutseneck; Susanne Bieller; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Fourth Generation Scorpionates: Coordination Behavior of a New Class of Conformationally Flexible Mixed-Donor (Pyrazol-1-yl)borates","Inorganic Chemistry","2010","49","","3540","3552","10.1021/ic100104t","","","0.71073","MoKα","","0.0548","0.0452","","","0.1093","0.1141","","","","","","1.026","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315355","11.011","0.003","19.446","0.003","16.276","0.003","90","","91.85","0.03","90","","3483.2","1.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-(methoxycarbonyl)-(nitrato,O)-bis(triphenylphosphine)-palladium(II)","","- C38 H33 N O5 P2 Pd -","- C38 H33 N O5 P2 Pd -","- C152 H132 N4 O20 P8 Pd4 -","4","2","","Emanuele Amadio; Gianni Cavinato; Alessandro Dolmella; Luigi Toniolo","Catalytic Properties of [Pd(COOMe)nX2-n(PPh3)2] (n= 0, 1, 2; X = Cl, NO2, ONO2, OAc and OTs) in the Oxidative Carbonylation of MeOH","Inorganic Chemistry","2010","49","","3721","3729","10.1021/ic901569w","","","0.71073","MoKα","","0.0522","0.0447","","","0.098","0.105","","","","","","1.19","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315406","11.2706","0.0012","12.7184","0.0014","11.9508","0.0013","90","","116.957","0.001","90","","1526.9","0.3","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 N4 O3 P2 Ru -","- C32 H34 N4 O3 P2 Ru -","- C64 H68 N8 O6 P4 Ru2 -","2","1","","Lindsay J. Hounjet; Matthias Bierenstiel; Michael J. Ferguson; Robert McDonald; Martin Cowie","Coordinatively Diverse ortho-Phosphinoaniline Complexes of Ruthenium and Isolation of a Putative Intermediate in Ketone Transfer Hydrogenation Catalysis","Inorganic Chemistry","2010","49","","4288","4300","10.1021/ic100165t","","","0.71073","MoKα","","0.0253","0.0239","","","0.0594","0.0601","","","","","","1.097","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315438","18.0047","0.0005","16.1217","0.0005","20.3657","0.0007","90","","90.002","0.002","90","","5911.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C30 H41 B Cl Cu P2 -","- C30 H41 B Cl Cu P2 -","- C240 H328 B8 Cl8 Cu8 P16 -","8","4","","M. Sircoglou; S. Bontemps; M. Mercy; K. Miqueu; S. Ladeira; N. Saffon; L. Maron; G. Bouhadir; D. Bourissou","Copper(I) Complexes derived from Mono- and Diphosphino-Boranes: Cu\ρightarrowB Interactions Supported by Arene Coordination","Inorganic Chemistry","2010","49","","3983","3990","10.1021/ic901896z","","x-ray","0.71073","MoKα","","0.041","0.0318","","","0.068","0.0728","","","","","","1.036","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315459","13.451","0.002","20.757","0.003","16.969","0.003","90","","101.126","0.002","90","","4648.7","1.3","169","2","169","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H115.5 N16 O38.75 Yb2 -","- C78 H80 N16 O38.75 Yb2 -","- C156 H160 N32 O77.5 Yb4 -","2","1","","Evan G. Moore; Jide Xu; Sheel C. Dodani; Christoph J. Jocher; Anthony D'Aléo; Michael Seitz; Kenneth N. Raymond","1-Methyl-3-hydroxy-pyridin-2-one Complexes of Near Infra-Red Emitting Lanthanides: Efficient Sensitization of Yb(III) and Nd(III) in Aqueous Solution","Inorganic Chemistry","2010","49","","4156","4166","10.1021/ic902219t","","","0.71073","MoKα","","0.0275","0.0257","","","0.0654","0.0664","","","","","","1.033","","","","has coordinates,has disorder","179234","2020-10-21","18:00:00",""
"4315589","9.4899","0.0004","8.7444","0.0004","9.9711","0.0004","90","","95.364","0.004","90","","823.81","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 Au Cl N3 O -","- C15 H19 Au Cl N3 O -","- C30 H38 Au2 Cl2 N6 O2 -","2","1","","Chandrakanta Dash; Mobin M. Shaikh; Ray J. Butcher; Prasenjit Ghosh","Highly Convenient Regioselective Intermolecular Hydroamination of Alkynes Yielding Ketimines Catalyzed by Gold(I) Complexes of 1,2,4-triazole Based N-heterocyclic Carbenes","Inorganic Chemistry","2010","49","","4972","4983","10.1021/ic100087d","","","0.71073","MoKα","","0.0439","0.037","","","0.0892","0.0926","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315648","13.814","0.003","11.993","0.002","15.922","0.003","90","","92.37","0.03","90","","2635.6","0.9","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H63 B12 Cl12 O2 S Si3 -","- C27 H63 B12 Cl12 O2 S Si3 -","- C54 H126 B24 Cl24 O4 S2 Si6 -","2","1","","Mathias Kessler; Carsten Knapp; Vanessa Sagawe; Harald Scherer; Rabiya Uzun","Synthesis, Characterization, and Crystal Structures of Silylium Compounds of the Weakly Coordinating Dianion [B12Cl12]2-","Inorganic Chemistry","2010","49","","5223","5230","10.1021/ic100337k","","","0.71073","MoKα","","0.0746","0.0535","","","0.1422","0.1609","","","","","","1.122","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315681","9.8681","0.0006","18.7002","0.001","11.1568","0.0006","90","","106.783","0.003","90","","1971.13","0.19","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H60 Mn N3 O P2 -","- C42 H60 Mn N3 O P2 -","- C84 H120 Mn2 N6 O2 P4 -","2","1","","Deborha Bacciu; Chun-Hsing Chen; Panida Surawatanawong; Bruce M. Foxman; Oleg V. Ozerov","High-Spin Manganese(II) Complexes of an Amido/Bis(Phosphine) PNP Ligand","Inorganic Chemistry","2010","49","","5328","5334","10.1021/ic1004424","","","0.71073","MoKα","","0.0379","0.0333","","0.091","0.0855","0.091","","","","","","1.0297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315773","8.1859","0.001","12.5249","0.0015","8.3319","0.001","90","","117.085","0.004","90","","760.57","0.16","90","","90","","","","","","","","local laboratory","7","P 1 21 1","P 2yb","4","","","","- C9 H15 F6 N3 O3 P Re -","- C9 H15 F6 N3 O3 P Re -","- C18 H30 F12 N6 O6 P2 Re2 -","2","1","","Theshini Perera; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","NH NMR Shifts of New Structurally Characterized fac-[Re(CO)3(polyamine)]n+ Complexes Probed via Outer-Sphere Hydrogen-Bonding Interactions to Anions, Including the Paramagnetic [ReIVBr6]2- Anion","Inorganic Chemistry","2010","49","","5560","5572","10.1021/ic100386c","","","0.71073","MoKα","","0.027","0.025","","","0.055","0.056","","","","","","1.119","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315777","12.5607","0.0014","9.4615","0.0011","13.7266","0.0016","90","","114.062","0.001","90","","1489.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Bi6 O28 S6 -","- C6 H12 Bi6 O28 S6 -","- C12 H24 Bi12 O56 S12 -","2","1","","David L. Rogow; Honghan Fei; Daniel P. Brennan; Mariko Ikehata; Peter Y. Zavalij; Allen G. Oliver; Scott R. J. Oliver","Hydrothermal Synthesis of Two Cationic Bismuthate Clusters: An Alkylenedisulfonate Bridged Hexamer, [Bi6O4(OH)4(H2O)2][(CH2)2(SO3)2]3 and a Rare Nonamer Templated by Triflate, [Bi9O8(OH)6][CF3SO3]5","Inorganic Chemistry","2010","49","","5619","5624","10.1021/ic1004402","","","0.71073","MoKα","","0.0296","0.0286","","","0.0712","0.0716","","","","","","1.074","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315822","13.958","0.007","28.393","0.015","14.333","0.008","90","","91.368","0.007","90","","5679","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H176 Er2 N12 O2 S2 Si8 -","- C84 H176 Er2 N12 O2 S2 Si8 -","- C168 H352 Er4 N24 O4 S4 Si16 -","2","1","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0776","0.0663","","","0.1631","0.169","","","","","","1.091","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315823","13.926","0.007","28.273","0.013","14.308","0.007","90","","91.525","0.007","90","","5631","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H176 N12 O2 S2 Si8 Yb2 -","- C84 H176 N12 O2 S2 Si8 Yb2 -","- C168 H352 N24 O4 S4 Si16 Yb4 -","2","1","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0607","0.0495","","","0.1144","0.1204","","","","","","1.008","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315891","15.779","0.003","13.251","0.003","18.21","0.004","90","","111.45","0.002","90","","3543.8","1.3","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H42 Cd2 Cl2 N4 O2 -","- C34 H42 Cd2 Cl2 N4 O2 -","- C136 H168 Cd8 Cl8 N16 O8 -","4","2","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.0397","0.0315","","","0.0641","0.0666","","","","","","0.96","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315892","15.771","0.002","13.2493","0.0018","18.21","0.003","90","","111.418","0.002","90","","3542.3","0.9","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 Cd2 Cl4 N4 O2 -","- C32 H34.5 Cd2 Cl4 N4 O2 -","- C128 H138 Cd8 Cl16 N16 O8 -","4","2","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.1143","0.0674","","","0.1699","0.2547","","","","","","0.934","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315894","10.9803","0.0009","14.8931","0.0012","14.0487","0.0011","90","","93.05","0.001","90","","2294.1","0.3","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H53 Cd2 Cl2 N5 O9 -","- C39 H53 Cd2 Cl2 N5 O9 -","- C78 H106 Cd4 Cl4 N10 O18 -","2","1","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.1075","0.0542","","","0.0938","0.1044","","","","","","0.946","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315895","9.385","0.003","16.564","0.005","11.729","0.004","90","","105.117","0.005","90","","1760.2","1","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H44 Br2 Cd2 N4 O3 -","- C34 H44 Br2 Cd2 N4 O3 -","- C68 H88 Br4 Cd4 N8 O6 -","2","1","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.1592","0.0699","","","0.1442","0.1638","","","","","","0.982","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315898","10.352","0.009","13.226","0.01","15.015","0.01","90","","95.631","0.019","90","","2046","3","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 N8 O2 S2 Zn2 -","- C38 H42 Cl2 N8 O2 S2 Zn2 -","- C76 H84 Cl4 N16 O4 S4 Zn4 -","2","1","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.0957","0.057","","","0.1374","0.1804","","","","","","1.034","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315899","15.2803","0.0012","13.3198","0.001","18.1822","0.0014","90","","110.482","0.001","90","","3466.7","0.5","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl4 Mn2 N4 O2 -","- C32 H36 Cl4 Mn2 N4 O2 -","- C128 H144 Cl16 Mn8 N16 O8 -","4","2","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.0721","0.0477","","","0.1051","0.1307","","","","","","0.986","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315900","10.4354","0.0017","13.368","0.002","14.919","0.002","90","","95.824","0.002","90","","2070.5","0.5","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Mn2 N8 O2 S2 -","- C38 H42 Cl2 Mn2 N8 O2 S2 -","- C76 H84 Cl4 Mn4 N16 O4 S4 -","2","1","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.0868","0.0449","","","0.0835","0.0989","","","","","","0.87","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315909","12.0152","0.0009","19.737","0.0015","15.0015","0.0012","90","","98.248","0.002","90","","3520.7","0.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42.5 H85 Br4 Cl P6 S4 W3 -","- C42.5 H85 Br4 Cl P6 S4 W3 -","- C85 H170 Br8 Cl2 P12 S8 W6 -","2","1","","Andrés G. Algarra; Manuel G. Basallote; M. Jesús Fernández-Trujillo; Marta Feliz; Eva Guillamón; Rosa Llusar; Ivan Sorribes; Cristian Vicent","Chiral [Mo3S4H3(diphosphine)3]+ Hydrido Clusters and Study of the Effect of the Metal Atom on the Kinetics of the Acid-Assisted Substitution of the Coordinated Hydride: Mo vs W","Inorganic Chemistry","2010","49","","5935","5942","10.1021/ic100381u","","","0.71073","MoKα","","0.0815","0.0564","","","0.1484","0.1684","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315912","25.491","0.005","9.8057","0.0018","27.192","0.005","90","","112.122","0.003","90","","6296","2","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","ubjm01","","","- C48 H74 Eu F3 N8 O27 P2 S -","- C48 H74 Eu F3 N8 O27 P2 S -","- C192 H296 Eu4 F12 N32 O108 P8 S4 -","4","2","","Ching-Hui Huang; Jacob Hammell; S. James Ratnakar; A. Dean Sherry; Janet R. Morrow","Activation of a PARACEST Agent for MRI through Selective Outersphere Interactions with Phosphate Diesters","Inorganic Chemistry","2010","49","","5963","5970","10.1021/ic1004616","","","0.71073","MoKα","","0.0932","0.0763","","","0.1382","0.144","","","","","","1.161","","","","has coordinates,has disorder","179239","2020-10-21","18:00:00",""
"4316265","8.76","0.0004","13.481","0.0007","15.621","0.0008","90","","97.534","0.003","90","","1828.81","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H56 Cl N2 O3 V -","- C35 H56 Cl N2 O3 V -","- C70 H112 Cl2 N4 O6 V2 -","2","1","","Sónia Barroso; Pedro Adão; Filipe Madeira; M. Teresa Duarte; João Costa Pessoa; Ana M. Martins","Vanadium Diaminebis(phenolate) Complexes: Syntheses, Structures, and Reactivity in Sulfoxidation Catalysis","Inorganic Chemistry","2010","49","","7452","7463","10.1021/ic1007704","","x-ray","0.71073","MoKα","","0.0493","0.0385","","","0.0812","0.0852","","","","","","1.043","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316283","14.3242","0.0006","16.2707","0.0009","19.9354","0.001","90","","110.157","0.003","90","","4361.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C92 H68 Cl12 Fe N12 O4 S0 -","- C92 H68 Cl12 Fe N12 O4 -","- C184 H136 Cl24 Fe2 N24 O8 -","2","1","","Hijazi, Ismail; Roisnel, Thierry; Even-Hernandez, Pascale; Geneste, Florence; Cador, Olivier; Guizouarn, Thierry; Boitrel, Bernard","Structural Characterization of Zinc and Iron (II/III) Complexes of a Porphyrin Bearing Two Built-in Nitrogen Bases. An Example of High-Spin Diaqua-Iron(III) Bromo Complex","Inorganic Chemistry","2010","49","16","7536","7544","10.1021/ic1009384","","x-ray","0.71073","MoKα","","0.1089","0.0669","","","0.1513","0.1733","","","","","","1.031","","","","has coordinates","210347","2020-10-21","18:00:00",""
"4316309","16.512","0.001","21.437","0.001","19.547","0.001","90","","103.945","0.002","90","","6715.1","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H120 N18 Ni3 O12 -","- C90 H120 N18 Ni3 O12 -","- C180 H240 N36 Ni6 O24 -","2","1","","Jae Jeong Ryoo; Jong Won Shin; Hwan-Seok Dho; Kil Sik Min","Self-Assembly and Chiral Recognition of a Two-Dimensional Coordination Polymer from a Chiral Nickel(II) Macrocyclic Complex and Trimesic Acid","Inorganic Chemistry","2010","49","","7232","7234","10.1021/ic101127z","","","0.9","","","0.1372","0.1098","","","0.3038","0.3479","","","","","","1.564","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316383","12.173","0.0003","17.3557","0.0004","12.9747","0.0003","90","","103.361","0.001","90","","2666.98","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H70 Cu F6 O P5 -","- C57 H70 Cu F6 O P5 -","- C114 H140 Cu2 F12 O2 P10 -","2","1","","Matthew F. Cain; Russell P. Hughes; David S. Glueck; James A. Golen; Curtis E. Moore; Arnold L. Rheingold","Synthesis and Structure of Intermediates in Copper-Catalyzed Alkylation of Diphenylphosphine","Inorganic Chemistry","2010","49","","7650","7662","10.1021/ic100816u","","","1.54178","CuKα","","0.0392","0.0365","","","0.0958","0.0981","","","","","","1.016","","","","has coordinates,has disorder","179243","2020-10-21","18:00:00",""
"4316544","7.225","0.002","9.392","0.003","8.069","0.002","90","","106.734","0.005","90","","524.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- F12 Sb2 Xe -","- F12 Sb2 Xe -","- F24 Sb4 Xe2 -","2","1","","Hugh St. A. Elliott; John F. Lehmann; Hélène P.A. Mercier; H. Donald Brooke Jenkins; Gary J. Schrobilgen","X-ray Crystal Structures of [XeF][MF6] (M = As, Sb, Bi), [XeF][M2F11] (M = Sb, Bi) and Estimated Thermochemical Data and Predicted Stabilities for Noble-Gas Fluorocation Salts using Volume-Based Thermodynamics","Inorganic Chemistry","2010","49","","8504","8523","10.1021/ic101152x","","","0.71073","MoKα","","0.0241","0.0219","","","0.0485","0.0491","","","","","","1.032","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316578","9.6454","0.0006","13.9259","0.0008","14.9197","0.0008","90","","90.161","0.001","90","","2004","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H34 Cl4 F2 Ir N2 P -","- C46 H34 Cl4 F2 Ir N2 P -","- C92 H68 Cl8 F4 Ir2 N4 P2 -","2","1","","Bo-Sian Du; Chen-Huey Lin; Yun Chi; Jui-Yi Hung; Min-Wen Chung; Tsung-Yi Lin; Gene-Hsiang Lee; Ken-Tsung Wong; Pi-Tai Chou; Wen-Yi Hung; Hao-Chih Chiu","Diphenyl(1-naphthyl)phosphine Ancillary for Assembling of Red and Orange-Emitting Ir(III) Based Phosphors; Strategic Synthesis, Photophysics, and Organic Light-Emitting Diode Fabrication","Inorganic Chemistry","2010","49","","8713","8723","10.1021/ic100935b","","","0.71073","MoKα","","0.0439","0.0391","","","0.0857","0.0975","","","","","","1.046","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316596","15.612","0.003","14.33","0.003","16.271","0.003","90","","92.58","0.03","90","","3636.5","1.2","95","2","95","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H50 Br4 N21 O40 Tb3 -","- C44 H40 Br4 N21 O40 Tb3 -","- C88 H80 Br8 N42 O80 Tb6 -","2","1","","Ana de Bettencourt-Dias; Patrick S. Barber; Subha Viswanathan; Daniel T. de Lill; Alexandra Rollett; George Ling; Sultan Altun","Para-Derivatized Pybox Ligands As Sensitizers in Highly Luminescent Ln(III) Complexes","Inorganic Chemistry","2010","49","","8848","8861","10.1021/ic101034y","","","0.71073","MoKα","","0.0857","0.0625","","","0.1472","0.1613","","","","","","1.027","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4316720","8.807","0.002","16.647","0.003","9.424","0.002","90","","114.82","0.03","90","","1254","0.5","240","2","240","2","","","","","","","","6","P 1 21 1","P 2yb","4","complex7 (Sinay)","","","- C23 H24 F9 Li N4 O -","- C23 H24 F9 Li N4 O -","- C46 H48 F18 Li2 N8 O2 -","2","1","","Sinai Aharonovich; Mark Botoshansky; Robert M. Waymouth; Moris S. Eisen","Chemoselectivity Diversity in the Reaction of LiNC6F5SiMe3 with Nitriles and the Synthesis, Structure, and Reactivity of Zirconium Mono- and Tris[2-(2-pyridyl)tetrafluorobenzimidazolate] Complexes","Inorganic Chemistry","2010","49","","9217","9229","10.1021/ic100696r","","","0.71073","MoKα","","0.0576","0.0411","","","0.1107","0.1186","","","","","","1.031","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316750","9.1167","0.0003","17.5349","0.0006","10.811","0.0004","90","","106.01","0.001","90","","1661.22","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H13 Eu F18 O10 -","- C25 H13 Eu F18 O10 -","- C50 H26 Eu2 F36 O20 -","2","1","","Svetlana V. Eliseeva; Dmitry N. Pleshkov; Konstantin A. Lyssenko; Leonid S. Lepnev; Jean-Claude G. Bünzli; Natalia P. Kuzmina","Highly Luminescent and Triboluminescent Coordination Polymers Assembled from Lanthanide β-Diketonates and Aromatic Bidentate O-Donor Ligands","Inorganic Chemistry","2010","49","","9300","9311","10.1021/ic100974e","","","0.71073","MoKα","","0.0193","0.0186","","","0.0443","0.0445","","","","","","1.023","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316799","12.1087","0.0008","20.8959","0.0014","13.09","0.0009","90","","111.19","0.002","90","","3088.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H76 N20 Ni4 O8 -","- C56 H76 N20 Ni4 O8 -","- C112 H152 N40 Ni8 O16 -","2","1","","Sujit Sasmal; Susanta Hazra; Parimal Kundu; Samit Majumder; Núria Aliaga-Alcalde; Eliseo Ruiz; Sasankasekhar Mohanta","Magneto-Structural Correlation Studies and Theoretical Calculations of a Unique Family of Single End-to-End Azide-Bridged NiII4 Cyclic Clusters","Inorganic Chemistry","2010","49","","9517","9526","10.1021/ic101209m","","","0.71073","MoKα","","0.0537","0.04","","","0.1043","0.115","","","","","","0.786","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316800","12.164","0.003","21.065","0.005","12.646","0.003","90","","109.628","0.009","90","","3052.1","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H68 N20 Ni4 O12 -","- C52 H68 N20 Ni4 O12 -","- C104 H136 N40 Ni8 O24 -","2","1","","Sujit Sasmal; Susanta Hazra; Parimal Kundu; Samit Majumder; Núria Aliaga-Alcalde; Eliseo Ruiz; Sasankasekhar Mohanta","Magneto-Structural Correlation Studies and Theoretical Calculations of a Unique Family of Single End-to-End Azide-Bridged NiII4 Cyclic Clusters","Inorganic Chemistry","2010","49","","9517","9526","10.1021/ic101209m","","","0.71073","MoKα","","0.0659","0.0441","","","0.1163","0.1336","","","","","","0.872","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316851","10.5347","0.0009","15.308","0.0013","12.1157","0.001","90","","111.695","0.001","90","","1815.4","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 2","","","- C42 H46 N2 Si3 -","- C42 H46 N2 Si3 -","- C84 H92 N4 Si6 -","2","1","","S. M. Ibrahim Al-Rafia; Paul A. Lummis; Michael J. Ferguson; Robert McDonald; Eric Rivard","Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically Tunable Bis(amido)silyl Ligands","Inorganic Chemistry","2010","49","","9709","9717","10.1021/ic101485a","","","0.71073","MoKα","","0.0378","0.0349","","","0.0917","0.094","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316872","7.7251","0.001","12.5474","0.0016","12.373","0.0016","90","","103.315","0.004","90","","1167.1","0.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 Fe P2 Se2 -","- C22 H32 Fe P2 Se2 -","- C44 H64 Fe2 P4 Se4 -","2","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0326","0.0262","","","0.0514","0.0532","","","","","","1.036","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316875","10.6457","0.0015","16.942","0.002","17.134","0.002","90","","91.259","0.004","90","","3089.5","0.7","135","2","135","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 Cl2 Fe P2 Pt -","- C30 H48 Cl2 Fe P2 Pt -","- C120 H192 Cl8 Fe4 P8 Pt4 -","4","2","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0447","0.0361","","","0.0647","0.0682","","","","","","1.013","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316999","8.038","0.002","27.87","0.007","10.955","0.003","90","","110.422","0.004","90","","2299.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H40 Ni P2 S2 -","- C19 H40 Ni P2 S2 -","- C76 H160 Ni4 P8 S8 -","4","2","","John S. Anderson; Vlad M. Iluc; Gregory L. Hillhouse","Reactions of CO2 and CS2 with 1,2-Bis(di-tert-butylphosphino)ethane Complexes of Nickel(0) and Nickel(I)","Inorganic Chemistry","2010","49","","10203","10207","10.1021/ic101652e","","","0.71073","MoKα","","0.0761","0.07","","","0.1695","0.1734","","","","","","1.025","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4317062","10.9897","0.0008","21.4876","0.0015","11.0705","0.0008","90","","100.552","0.001","90","","2570","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(1,7-Dicarba-closo-dodecaboran-9-yl)trifluoroacetamide","","- C4 H12 B10 F3 N O -","- C4 H12 B10 F3 N O -","- C32 H96 B80 F24 N8 O8 -","8","4","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.0586","0.0527","","","0.1364","0.1428","","","","","","1.091","","","","has coordinates,has disorder","179250","2020-10-21","18:00:00",""
"4317090","8.4044","0.0003","13.85","0.0005","9.1581","0.0003","90","","108.296","0.001","90","","1012.12","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H16 Ge6 In2 N4 O15 -","- C4 H16 Ge6 In2 N4 O15 -","- C8 H32 Ge12 In4 N8 O30 -","2","1","","Chih-Min Wang; Ciao-Wei Yang; Chia-Hui Lin; Kwang-Hwa Lii","Solvothermal Synthesis of Two Polymorphs of an Indium Germanate Incorporating an Organic Amine Ligand: β- and γ-In2Ge6O15(NH2CH2CH2NH2)2","Inorganic Chemistry","2010","49","","10229","10231","10.1021/ic1017856","","","0.71073","MoKα","","0.0255","0.0227","","","0.0504","0.0511","","","","","","1.034","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317135","10.7521","0.0017","18.481","0.003","14.477","0.002","90","","105.692","0.002","90","","2769.5","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","HfONep CHCl3","","","- C45 H99 Hf2 O9 -","- C45 H99 Hf2 O9 -","- C90 H198 Hf4 O18 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Sarah M. Hoppe; Charles F. Campana","Series of Comparable Dinuclear Group 4 Neo-pentoxide Precursors for Production of pH Dependent Group 4 Nanoceramic Morphologies","Inorganic Chemistry","2010","49","","10798","10808","10.1021/ic101205d","","","0.71073","MoKα","","0.0654","0.0487","","","0.123","0.1361","","","","","","1.02","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317136","10.7608","0.0015","18.481","0.003","14.522","0.002","90","","105.945","0.002","90","","2776.9","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","ZrOnep Hex","","","- C45 H99 O9 Zr2 -","- C45 H99 O9 Zr2 -","- C90 H198 O18 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Sarah M. Hoppe; Charles F. Campana","Series of Comparable Dinuclear Group 4 Neo-pentoxide Precursors for Production of pH Dependent Group 4 Nanoceramic Morphologies","Inorganic Chemistry","2010","49","","10798","10808","10.1021/ic101205d","","","0.71073","MoKα","","0.1214","0.1097","","","0.3415","0.3793","","","","","","1.739","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317212","9.541","0.004","10.734","0.004","14.07","0.006","90","","109.289","0.005","90","","1360.1","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 B N6 O Rh -","- C32 H32 B N6 O Rh -","- C64 H64 B2 N12 O2 Rh2 -","2","1","","Riccardo Pettinari; Claudio Pettinari; Fabio Marchetti; Roberto Gobetto; Carlo Nervi; Michele R. Chierotti; Eric J. Chan; Brian W. Skelton; Allan H. White","Solid-State 15N CPMAS NMR and Computational Analysis of Ligand Hapticity in Rhodium(η-diene) Poly(pyrazolyl)borate Complexes","Inorganic Chemistry","2010","49","","11205","11215","10.1021/ic101830e","","","0.71073","MoKα","","0.1053","0.0897","","","0.2208","0.2263","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317295","5.768","0.003","21.66","0.01","13.15","0.007","90","","93.02","0.02","90","","1640.6","1.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H46 Co2 O25 -","- C28 H45 Co2 O25 -","- C56 H90 Co4 O50 -","2","1","","M. Menelaou; A. Konstantopai; N. Lalioti; C. P. Raptopoulou; V. Psycharis; A. Terzis; C. Mateescu; K. Tsarhopoulos; P. Rigas; A. Salifoglou","Hydrothermal Synthesis and Characterization of 2D M(II)-Quinate (M = Co,Zn) Metal-Organic Lattice Assemblies: Solid-State Solution Structure Correlation in M(II)-Hydroxycarboxylate Systems","Inorganic Chemistry","2010","49","","11449","11462","10.1021/ic1013945","","","0.71073","MoKα","","0.0237","0.0236","","","0.0633","0.0634","","","","","","1.075","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317296","5.7095","0.0001","32.3254","0.0006","13.2471","0.0002","90","","93.036","0.001","90","","2441.48","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H68 O37 Zn3 -","- C42 H66 O37 Zn3 -","- C84 H132 O74 Zn6 -","2","1","","M. Menelaou; A. Konstantopai; N. Lalioti; C. P. Raptopoulou; V. Psycharis; A. Terzis; C. Mateescu; K. Tsarhopoulos; P. Rigas; A. Salifoglou","Hydrothermal Synthesis and Characterization of 2D M(II)-Quinate (M = Co,Zn) Metal-Organic Lattice Assemblies: Solid-State Solution Structure Correlation in M(II)-Hydroxycarboxylate Systems","Inorganic Chemistry","2010","49","","11449","11462","10.1021/ic1013945","","","1.54187","CuKα","","0.0679","0.0655","","","0.1554","0.1577","","","","","","1.055","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317554","11.6569","0.0007","10.9364","0.0007","12.8998","0.0008","90","","108.885","0.001","90","","1556","0.17","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 F4 N4 O4 Zn -","- C34 H26 F4 N4 O4 Zn -","- C68 H52 F8 N8 O8 Zn2 -","2","1","","Donald J. Darensbourg; Jacob R. Wildeson; Jason C. Yarbrough","Solid-State Structures of Zinc(II) Benzoate Complexes. Catalyst Precursors for the Coupling of Carbon Dioxide and Epoxides","Inorganic Chemistry","2002","41","","973","980","10.1021/ic0107983","","","0.71073","MoKα","","0.0258","0.0256","","","0.066","0.0663","","","","","","1.136","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317562","7.394","0.0001","12.2973","0.0002","16.4","0.0003","90","","102.711","0.0003","90","","1454.64","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 F6 Fe N2 O4 -","- C28 H38 F6 Fe N2 O4 -","- C56 H76 F12 Fe2 N4 O8 -","2","1","","Sam Bradley; Kenneth D. Camm; Xiaoming Liu; Patrick C. McGowan; Raheela Mumtaz; Karrie A. Oughton; Thomas J. Podesta; Mark Thornton-Pett","Synthesis and Structural Studies of 1,1'-Bis-Amino-Functionalized Ferrocenes, Ferrocene Salts, and Ferrocenium Salts","Inorganic Chemistry","2002","41","","715","726","10.1021/ic010821k","","","0.71069","MoKα","","0.0484","0.0425","","","0.1233","0.131","","","","","","1.058","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4317771","10.818","0.001","12.224","0.0007","12.162","0.002","90","","110.436","0.01","90","","1507.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl5 N Pt S -","- C30 H28 Cl5 N Pt S -","- C60 H56 Cl10 N2 Pt2 S2 -","2","1","","Paul V. Bernhardt; Carlos Gallego; Manuel Martinez; Teodor Parella","Substitution Reactions on Cyclometalated Pt(IV) Complexes. Associative Tuning by Fluoro Ligands and Fluorinated Substituents","Inorganic Chemistry","2002","41","","1747","1754","10.1021/ic0108179","","","0.71073","MoKα","","0.021","0.0185","","","0.0462","0.0471","","","","","","1.112","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317786","12.91","0.002","8.5064","0.0015","19.699","0.004","90","","105.383","0.002","90","","2085.8","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound3","","","- C36 H40 Cl4 Mo2 N4 O8 -","- C36 H40 Cl4 Mo2 N4 O8 -","- C72 H80 Cl8 Mo4 N8 O16 -","2","1","","Federico Roncaroli; Luis M. Baraldo; Leonardo D. Slep; José A. Olabe","Metallonitrosyl Fragment as Electron Acceptor: Intramolecular Charge Transfer, Long Range Electronic Coupling, and Electrophilic Reactivity in the trans-[NCRu(py)4(CN)Ru(py)4NO]3+ Ion","Inorganic Chemistry","2002","41","","1930","1939","10.1021/ic0109896","","","0.71073","MoKα","","0.0515","0.0489","","0.1265","0.1225","","","","1.065","1.049","1.049","","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317843","7.836","0.002","20.214","0.001","10.622","0.002","90","","91.45","0.01","90","","1682","0.5","291.2","","291.2","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C16 H50 Cl2 Co2 N6 O10 Pt S4 -","- C16 H38 Cl2 Co2 N6 O10 Pt S4 -","- C32 H76 Cl4 Co4 N12 O20 Pt2 S8 -","2","1","","Hirokazu Honda; Takashi Yoshimura; Masakazu Hirotsu; Tatsuya Kawamoto; Takumi Konno","Synthesis, Characterization, and Chiral Behavior of S-Bridged CoIIIPtIICoIII Trinuclear Complexes Composed of Bis(thiolato)-Type Octahedral Units cis(S)-[Co(aet)2(en)]+ and/or trans(N)-[Co(d-pen-N,O,S)2]- (aet = 2-Aminoethanethiolate, d-pen =d-Penicillaminate)","Inorganic Chemistry","2002","41","","2229","2237","10.1021/ic010696c","","","0.7107","MoKα","","","0.0365","","","0.0401","","","","","1.372","1.372","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318063","13.146","0.002","22.738","0.002","16.971","0.003","90","","90","0.001","90","","5072.9","1.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H84 Al3 Eu O12 -","- C36 H84 Al3 Eu O12 -","- C144 H336 Al12 Eu4 O48 -","4","2","","G. Westin; M. Moustiakimov; M. Kritikos","Synthesis, Characterization, and Properties of Three Europium 2-Propoxides: [Eu4(OPri)10(HOPri)3]*2HOPri, Eu5O(OPri)13, and EuAl3(OPri)12","Inorganic Chemistry","2002","41","","3249","3258","10.1021/ic010745l","","","0.71073","MoKα","","0.0364","0.0336","","","0.0924","0.0953","","","","","","1.026","","","","has coordinates,has disorder","179260","2020-10-21","18:00:00",""
"4318065","6.5297","0.0009","7.6212","0.0015","11.6114","0.0014","90","","93.637","0.01","90","","576.67","0.16","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","","Yong-Rong Xie; Ren-Gen Xiong; Xiang Xue; Xue-Tai Chen; Ziling Xue; Xiao-Zeng You","Two Chiral Coordination Polymers: Preparation and X-ray Structures of Mono(4-sulfo-l-phenylalanine)(diaqua) Zinc(II) and Copper(II) Complexes","Inorganic Chemistry","2002","41","","3323","3326","10.1021/ic010862g","","","0.71073","MoKα","","0.0625","0.0427","","","0.1023","0.1129","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4318068","15.3847","0.0018","18.4434","0.0012","12.773","0.003","90","","89.987","0.013","90","","3624.3","1","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Dioxo)trans-di-2,6-diphenylphenoxy(ditetrahydrofuran)uranium(VI)","","- C44 H42 O6 U -","- C44 O6 U -","- C176 O24 U4 -","4","2","","Marianne P. Wilkerson; Carol J. Burns; David E. Morris; Robert T. Paine; Brian L. Scott","Steric Control of Substituted Phenoxide Ligands on Product Structures of Uranyl Aryloxide Complexes","Inorganic Chemistry","2002","41","","3110","3120","10.1021/ic011080q","","","0.71073","MoKα","","0.0646","0.0451","","","0.114","0.1208","","","","","","1.332","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318351","8.9299","0.0016","18.308","0.004","10.3473","0.0017","90","","91.905","0.013","90","","1690.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H32 Cl N5 O7 Ru -","- C35 H32 Cl N5 O7 Ru -","- C70 H64 Cl2 N10 O14 Ru2 -","2","1","","Kanchana Majumder; Ray J. Butcher; Samaresh Bhattacharya","Chemistry of Some Amino Acid Complexes of Ruthenium. Synthesis, Characterization, and DNA Binding Properties","Inorganic Chemistry","2002","41","","4605","4609","10.1021/ic010775o","","","0.71073","MoKα","","0.062","0.0414","","","0.0902","0.1001","","","","","","1.036","","","","has coordinates,has disorder","179263","2020-10-21","18:00:00",""
"4318438","8.073","0.001","8.583","0.002","11.148","0.001","90","","94.36","0.01","90","","770.2","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","TAOS-Fluoride","Tris(dimethylamino)oxosulfonium-trimethyldifluorosilicate","","- C9 H27 F2 N3 O S Si -","- C9 H27 F2 N3 O S Si -","- C18 H54 F4 N6 O2 S2 Si2 -","2","1","","Jens Wessel; Ulrich Behrens; Enno Lork; Tobias Borrmann; Wolf-Dieter Stohrer; Rüdiger Mews","Tris(dimethylamino)oxosulfonium Difluorotrimethylsilicate, (Me2N)3SO+Me3SiF2- (TAOS Fluoride)","Inorganic Chemistry","2002","41","","4715","4721","10.1021/ic0201755","","","0.71073","MoKα","","0.0479","0.0455","","0.1145","0.1132","","","","1.016","1.043","1.043","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4318458","7.5395","0.0003","11.4621","0.0006","12.2168","0.0006","90","","99.4","0.002","90","","1041.58","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H20 F2 Ge -","- C26 H20 F2 Ge -","- C52 H40 F4 Ge2 -","2","1","","Alan K. Brisdon; Ian R. Crossley; Robin G. Pritchard; John E. Warren","Spectroscopic and Structural Assignment of the Absolute Stereochemistry in a Series of 1,2-Difluorovinyl Organometalloids. The First Crystallographic Characterization and Structural Series of Group 14 Fluorovinyl Compounds","Inorganic Chemistry","2002","41","","4748","4755","10.1021/ic025593o","","x-ray","0.71073","MoKα","","0.0319","0.0284","","","0.0635","0.0656","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4318544","9.1686","0.0003","18.279","0.0005","15.4814","0.0006","90","","93.5637","0.0011","90","","2589.55","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H36 N3 P -","- C27 H36 N3 P -","- C108 H144 N12 P4 -","4","2","","A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes","Pseudoheptacoordination and Pseudohexacoordination in Tris(2-N,N-dimethylbenzylamino)phosphane","Inorganic Chemistry","2002","41","","5235","5240","10.1021/ic020153i","","","0.71073","MoKα","","0.0712","0.0478","","","0.0982","0.1065","","","","","","1.297","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318606","9.5651","0.0003","24.1074","0.0007","11.4952","0.0004","90","","90.9181","0.0014","90","","2650.33","0.15","293","2","200","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C52 H62 F6 N3 O4 P3 Rh -","- C52 H62 F6 N3 O4 P3 Rh -","- C104 H124 F12 N6 O8 P6 Rh2 -","2","1","","Darío Cuervo; Josefina Díez; M. Pilar Gamasa; S. García-Granda; José Gimeno","Rhodium(I) and Rhodium(III) Complexes Containing the Chiral Ligand 2,6-Bis[4'(S)-isopropyloxazolin-2'-yl]pyridine (Pybox): An Unprecedented Monohapto Coordination of Pybox","Inorganic Chemistry","2002","41","","4999","5001","10.1021/ic025569a","","","1.5418","CuKα","","0.0788","0.0662","","","0.1689","0.1814","","","","","","1.064","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318607","7.893","0.003","17.052","0.006","9.592","0.006","90","","90.59","0.05","90","","1290.9","1","293","2","293","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C19 H26 F6 I N3 O3 P Rh -","- C19 H26 F6 I N3 O3 P Rh -","- C38 H52 F12 I2 N6 O6 P2 Rh2 -","2","1","","Darío Cuervo; Josefina Díez; M. Pilar Gamasa; S. García-Granda; José Gimeno","Rhodium(I) and Rhodium(III) Complexes Containing the Chiral Ligand 2,6-Bis[4'(S)-isopropyloxazolin-2'-yl]pyridine (Pybox): An Unprecedented Monohapto Coordination of Pybox","Inorganic Chemistry","2002","41","","4999","5001","10.1021/ic025569a","","","0.71073","MoKα","","0.0319","0.0274","","","0.0714","0.0736","","","","","","1.062","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318651","11.0636","0.0006","6.6545","0.0004","15.963","0.0009","90","","101.069","0.001","90","","1153.38","0.11","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Cl4 N10 O3 Zn2 -","- C14 H20 Cl4 N10 O3 Zn2 -","- C28 H40 Cl8 N20 O6 Zn4 -","2","1","","Felix Zamora; Michal Sabat","Simultaneous N7,O6-Binding of Guanine to Two Zinc Centers and Its Possible Biological Significance","Inorganic Chemistry","2002","41","","4976","4977","10.1021/ic0258532","","","0.71073","MoKα","","0.0308","0.027","","","0.0471","0.0476","","","","","","0.831","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318654","15.8364","0.0003","8.4592","0.0002","15.952","","90","","101.907","0.001","90","","2091","0.06","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H48 Cu3 F12 N6 O9 P2 -","- C21 H48 Cu3 F12 N6 O9 P2 -","- C42 H96 Cu6 F24 N12 O18 P4 -","2","1","","Javier Tercero; Carmen Diaz; Joan Ribas; José Mahía; Miguel Angel Maestro","New Oxamato-Bridged Trinuclear CuII-CuII-CuII Complexes with Hydrogen-Bond Supramolecular Structures: Synthesis and Magneto-Structural Studies","Inorganic Chemistry","2002","41","","5373","5381","10.1021/ic011081i","","","0.71073","MoKα","","0.1009","0.0662","","","0.1731","0.2058","","","","","","1.018","","","","has coordinates,has disorder","179266","2020-10-21","18:00:00",""
"4318658","8.4198","0.0005","10.9214","0.0008","11.3218","0.0007","90","","99.201","0.009","90","","1027.71","0.12","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Br2 Cl2 Fe N4 -","- C18 H16 Br2 Cl2 Fe N4 -","- C36 H32 Br4 Cl4 Fe2 N8 -","2","1","","Dominique Mandon; Ahmed Machkour; Sandrine Goetz; Richard Welter","Trigonal Bipyramidal Geometry and Tridentate Coordination Mode of the Tripod in FeCl2 Complexes with Tris(2-pyridylmethyl)amine Derivatives Bis-α-Substituted with Bulky Groups. Structures and Spectroscopic Comparative Studies","Inorganic Chemistry","2002","41","","5364","5372","10.1021/ic011104t","","","0.71073","Mo-Kα","","0.061","0.034","","0.045","","0.038","","","1.214","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4318673","8.9621","0.001","16.6582","0.001","10.2459","0.001","90","","93.522","0.01","90","","1526.7","0.2","473","2","473","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H53 B2 Cl O Zr -","- C30 H53 B2 Cl O Zr -","- C60 H106 B4 Cl2 O2 Zr2 -","2","1","","Errun Ding; Fu-Chen Liu; Shengming Liu; Edward A. Meyers; Sheldon G. Shore","Synthesis, Structural Characterization, and Reactions of Cyclic Organohydroborate Half-Zirconocene Compounds","Inorganic Chemistry","2002","41","","5329","5335","10.1021/ic0202817","","","0.71073","MoKα","","0.0416","0.0329","","","0.0789","0.0841","","","","","","1.053","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318679","9.5413","0.0014","16.493","0.002","9.8218","0.0014","90","","108.149","0.002","90","","1468.7","0.3","89","2","89","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H51 Mg N O2 Si -","- C27 H51 Mg N O2 Si -","- C54 H102 Mg2 N2 O4 Si2 -","2","1","","Wilda Vargas; Ulrich Englich; Karin Ruhlandt-Senge","A Novel Group of Alkaline Earth Metal Amides: Syntheses and Characterization of M[N(2,6-iPr2C6H3)(SiMe3)]2(THF)2 (M = Mg, Ca, Sr, Ba) and the Linear, Two-Coordinate Mg[N(2,6-iPr2C6H3)(SiMe3)]2","Inorganic Chemistry","2002","41","","5602","5608","10.1021/ic0203668","","","0.71073","MoKα","","0.1232","0.0828","","","0.1891","0.2069","","","","","","1.106","","","","has coordinates,has disorder","179266","2020-10-21","18:00:00",""
"4318688","8.031","0.0002","10.2475","0.0003","10.57","","90","","109.651","0.001","90","","819.22","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H19 N2 O13 P3 Zn2 -","- C5 H19 N2 O13 P3 Zn2 -","- C10 H38 N4 O26 P6 Zn4 -","2","1","","Srinivasan Natarajan","Hydro/Solvothermal Synthesis and Structures of New Zinc Phosphates of Varying Dimensionality","Inorganic Chemistry","2002","41","","5530","5537","10.1021/ic0203872","","","0.71073","MoKα","","0.0301","0.0274","","","0.0605","0.0617","","","","","","0.93","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318957","11.38","0.002","8.0274","0.0016","15.67","0.003","90","","92.82","0.03","90","","1429.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 Co N4 O11 S2 -","- C22 H20 Co N4 O11 S2 -","- C44 H40 Co2 N8 O22 S4 -","2","1","","Yonghui Wang; Liyun Feng; Yangguang Li; Changwen Hu; Enbo Wang; Ninghai Hu; Hengqing Jia","Novel Hydrogen-Bonded Three-Dimensional Networks Encapsulating One-Dimensional Covalent Chains: [M(4,4'-bipy)(H2O)4](4-abs)2.nH2O (4,4'-bipy = 4,4'-Bipyridine; 4-abs = 4-Aminobenzenesulfonate) (M = Co, n = 1; M = Mn, n = 2)","Inorganic Chemistry","2002","41","","6351","6357","10.1021/ic025915o","","","0.71073","MoKα","","0.1003","0.0814","","","0.1977","0.2078","","","","","","0.987","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4319131","8.7978","0.0009","9.0493","0.0014","20.303","0.002","90","","98.049","0.007","90","","1600.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl2 Co N6 O11 -","- C30 H22 Cl2 Co N6 O11 -","- C60 H44 Cl4 Co2 N12 O22 -","2","1","","Ana B. Gaspar; M. Carmen Muñoz; Virginie Niel; José Antonio Real","[CoII(4-terpyridone)2]X2: A Novel Cobalt(II) Spin Crossover System [4-Terpyridone = 2,6-Bis(2-pyridyl)-4(1H)-pyridone]","Inorganic Chemistry","2001","40","","9","10","10.1021/ic000788m","","","0.71073","MoKα","","0.0629","0.0468","","0.1516","0.1257","","","","1.06","1.101","1.101","","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319140","6.101","0.002","18.822","0.003","6.229","0.002","90","0","98.6","0.1","90","0","707.3","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Br4 N2 Pb -","- Br4 Pb -","- Br8 Pb2 -","2","1","","Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto","An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines","Inorganic Chemistry","2001","40","","218","223","10.1021/ic000319k","","","0.71069","X","","","0.029","","","","0.031","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4319231","9.38","0.001","16.678","0.002","13.689","0.002","90","","95.61","0.02","90","","2131.2","0.5","213","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H64 In2 Ni2 Si6 -","- C30 H64 In2 Ni2 Si6 -","- C60 H128 In4 Ni4 Si12 -","2","1","","Werner Uhl; Sandra Melle; Gernot Frenking; Michael Hartmann","Reaction of Ni2Cp2(μ-CO)2 with the Alkylgallium(I) and Alkylindium(I) Compounds E4[C(SiMe3)3]4 (E = Ga, In). Insertion of E-R Groups into the Ni-Ni Bond versus Replacement of CO by the Isolobal E-R Ligands","Inorganic Chemistry","2001","40","","750","755","10.1021/ic0005947","","","0.71073","MoKα","","0.0509","0.0457","","0.0977","0.0969","","","","2.059","2.151","2.151","","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319353","8.8102","0.0006","8.8967","0.0006","19.9231","0.0013","90","","100.712","0.001","90","","1534.39","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 Cl2 Fe N6 O8 -","- C30 H22 Cl2 Fe N6 O8.5 -","- C60 H44 Cl4 Fe2 N12 O17 -","2","1","","Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich","Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study","Inorganic Chemistry","2001","40","","1143","1150","10.1021/ic000714a","","","0.71073","MoKα","","0.047","0.0435","","","0.1115","0.1138","","","","","","1.023","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319377","17.431","0.002","19.63","0.01","31.801","0.006","90","","104.83","0.02","90","","10519","6","213","2","213","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","","","","- C103.5 H111 Cl7 F4 Mo4 N12 O16 -","- C101.5 H97 Cl7 F4 Mo4 N12 O16 -","- C406 H388 Cl28 F16 Mo16 N48 O64 -","4","2","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0536","0.0508","","0.132","0.1268","","","","1.102","1.086","1.086","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319394","12.001","0.002","14.964","0.003","15.128","0.003","90","","102.5","0.03","90","","2652.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 F6 Mo6 O6 S13 -","- C37.634 H40.896 F6 Mo6 O5.95 S13.002 -","- C75.268 H81.792 F12 Mo12 O11.9 S26.004 -","2","1","","L. D. Vasquez; B. C. Noll; M. Rakowski DuBois","Synthesis and Characterization of a Tetranuclear Cyclopentadienyl Molybdenum Compound with a μ4-Sulfido Ligand","Inorganic Chemistry","2001","40","","1391","1393","10.1021/ic001043j","","","0.71073","MoKα","","0.0625","0.0529","","","0.1261","0.1325","","","","","","1.011","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00",""
"4319457","10.1231","0.0002","16.5442","0.0006","13.6701","0.0005","90","","104.446","0.002","90","","2217.06","0.12","150","2","150","2","","","","","","","see text","6","P 1 21 1","P 2yb","4","","3A: (nitrato-O)[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II) nitrate 3B: (nitrato-O)(methanol)[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II) nitrate","","- C25 H51 N12 Ni2 O19 S2 -","- C25 H51 N12 Ni2 O19 S2 -","- C50 H102 N24 Ni4 O38 S4 -","2","1","","Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^","Inorganic Chemistry","2001","40","","1606","1613","10.1021/ic000971f","","","0.71073","MoKα","","0.0702","0.0563","","","0.1323","0.1392","","","","","","1.091","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319576","9.2339","0.0005","14.2902","0.0008","9.3986","0.0005","90","","108.808","0.002","90","","1173.96","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Cu N7 O6 S2 -","- C21 H17 Cu N7 O6 S2 -","- C42 H34 Cu2 N14 O12 S4 -","2","1","","Ramalingam Balamurugan; Mallayan Palaniandavar; R. Srinivasa Gopalan","Trigonal Planar Copper(I) Complex: Synthesis, Structure, and Spectra of a Redox Pair of Novel Copper(II/I) Complexes of Tridentate Bis(benzimidazol-2'-yl) Ligand Framework as Models for Electron-Transfer Copper Proteins","Inorganic Chemistry","2001","40","","2246","2255","10.1021/ic0003372","","","0.71073","MoKα","","0.0647","0.0403","","0.1098","0.0998","","","","0.992","1.041","1.041","","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319605","10.2524","0.0006","32.468","0.0018","14.6747","0.0008","90","","100.008","0.0009","90","","4810.5","0.5","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cs4 Se13 Ti3 -","- Cs4 Se13 Ti3 -","- Cs32 Se104 Ti24 -","8","4","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0543","0.0431","","","0.0913","0.0949","","","","","","1.077","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319625","14.424","0.003","24.772","0.005","18.473","0.004","90","","107.88","0.03","90","","6282","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C115 H121 Ga2 K N16 O18 -","- C125.5 H121 Ga2 K N16 O21 -","- C251 H242 Ga4 K2 N32 O42 -","2","1","","Robert M. Yeh; Marco Ziegler; Darren W. Johnson; Andreas J. Terpin; Kenneth N. Raymond","Imposition of Chirality in a Dinuclear Triple-Stranded Helicate by Ion Pair Formation1","Inorganic Chemistry","2001","40","","2216","2217","10.1021/ic001215c","","","0.71073","MoKα","","0.1265","0.0933","","","0.2282","0.2426","","","","","","1.528","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319634","6.426","0.004","6.582","0.005","8.566","0.007","90","","107.83","0.06","90","","344.9","0.5","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Eu K S4 Si -","- Eu K S4 Si -","- Eu2 K2 S8 Si2 -","2","1","","Evenson; Peter K. Dorhout","Synthesis and Characterization of Four New Europium Group XIV Chalcogenides: K2EuTSe5 and KEuTS4(T = Si, Ge)","Inorganic Chemistry","2001","40","","2409","2414","10.1021/ic001248s","","","0.71073","MoKα","","0.0483","0.0471","","0.1335","0.125","","","","1.152","1.1","1.1","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319635","6.51","0.002","6.649","0.002","8.603","0.003","90","","107.8","0.02","90","","354.6","0.2","167","2","167","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Eu Ge K S4 -","- Eu Ge K S4 -","- Eu2 Ge2 K2 S8 -","2","1","","Evenson; Peter K. Dorhout","Synthesis and Characterization of Four New Europium Group XIV Chalcogenides: K2EuTSe5 and KEuTS4(T = Si, Ge)","Inorganic Chemistry","2001","40","","2409","2414","10.1021/ic001248s","","","0.71073","MoKα","","0.0356","0.0346","","0.0862","0.0857","","","","1.051","1.064","1.064","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319688","12.613","0.003","8.9876","0.0018","15.109","0.003","90","","107.01","0.03","90","","1637.8","0.7","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 O S5 Sb -","- C13 H13 O S5 Sb -","- C52 H52 O4 S20 Sb4 -","4","2","","Narcis Avarvari; Eric Faulques; Marc Fourmigué","Two Successive Single Crystal Phase Transitions Involving the Coordination Sphere of Antimony in PhSb(dmit), the First Organo-Antimony(III) Dithiolene Complex","Inorganic Chemistry","2001","40","","2570","2577","10.1021/ic001439v","","","0.71073","MoKα","","0.0411","0.0352","","","0.0796","0.0813","","","","","","0.983","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319735","8.4292","0.0003","14.199","0.0005","11.377","0.0004","90","","98.851","0.001","90","","1345.46","0.08","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Fe(III)(PaPy3)Cl)]ClO4.2CH3CN","","","- C24 H26 Cl2 Fe N7 O5 -","- C24 H26 Cl2 Fe N7 O5 -","- C48 H52 Cl4 Fe2 N14 O10 -","2","1","","John M. Rowland; Marilyn Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivity of Low Spin Iron(III) Complexes Containing a Single Carboxamido Nitrogen in a [FeN5L] Chromophore","Inorganic Chemistry","2001","40","","2810","2817","10.1021/ic001127s","","","0.71073","MoKα","","0.0377","0.0328","","","0.073","0.0746","","","","","","0.996","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319750","9.7802","0.0008","9.1039","0.0008","13.9235","0.0012","90","","108.024","0.002","90","","1178.88","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","diprotonated 1,2-diaminocyclohexane gallium phosphate","","- C12 H31 Ga2 N4 O12 P3 -","- C12 H Ga2 N4 O12 P3 -","- C24 H2 Ga4 N8 O24 P6 -","2","1","","Chia-Her Lin; Sue-Lein Wang","[(1S,2S)-H2DACH][Ga2(1S,2S-DACH)(HPO4)(PO4)2]: A Layered Chiral Gallophosphate Containing Chiral Ligand and Chiral Template","Inorganic Chemistry","2001","40","","2918","2921","10.1021/ic001234m","","","0.71073","MoKα","","0.0751","0.0603","","","0.14","0.1485","","","","","","1.003","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319754","13.435","0.003","11.973","0.002","16.352","0.003","90","","103.71","0.03","90","","2555.4","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H33 N5 -","- C29 H33 N5 -","- C116 H132 N20 -","4","2","","Gilles Muller; Jean-Claude G. Bünzli; Kurt J. Schenk; Claude Piguet; Gérard Hopfgartner","Influence of Bulky N-Substituents on the Formation of Lanthanide Triple Helical Complexes with a Ligand Derived from Bis(benzimidazole)pyridine: Structural and Thermodynamic Evidence","Inorganic Chemistry","2001","40","","2642","2651","10.1021/ic001289o","","","0.71073","MoKα","","0.0752","0.0391","","","0.0903","0.1134","","","","","","1.118","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319830","9.8833","0.0005","9.6719","0.0005","12.1136","0.0007","90","","107.29","0.001","90","","1105.62","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H27 N4 O15 Pr -","- C14 H27 N4 O15 Pr -","- C28 H54 N8 O30 Pr2 -","2","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.025","0.0231","","","0.0578","0.0586","","","","","","1.018","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319831","9.8771","0.0002","9.6617","0.0003","12.0966","0.0003","90","","107.313","0.001","90","","1102.07","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H27 N4 Nd O15 -","- C14 H24 N4 Nd O15 -","- C28 H48 N8 Nd2 O30 -","2","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.0247","0.0235","","","0.0584","0.0643","","","","","","1.083","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319837","9.343","0.0004","19.9349","0.0005","10.3519","0.0004","90","","109.988","0.001","90","","1811.92","0.11","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H38 La2 N6 O28 -","- C18 H36 La2 N6 O28 -","- C36 H72 La4 N12 O56 -","2","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.0407","0.04","","","0.0981","0.0985","","","","","","1.066","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319854","8.919","0.002","15.782","0.003","9.021","0.002","90","","103.06","0.03","90","","1236.9","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H35 Br4 Co N4 O4 Zn -","- C16 H33 Br4 Co N4 O4 Zn -","- C32 H66 Br8 Co2 N8 O8 Zn2 -","2","1","","Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion","Inorganic Chemistry","2001","40","","3124","3129","10.1021/ic001208o","","","0.71073","MoKα","","0.0898","0.0667","","0.164","0.1526","","","","1.003","1.07","1.07","","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319885","16.299","0.004","18.902","0.004","16.313","0.004","90","","90.214","0.006","90","","5026","2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H149 N14 O14.5 S -","- C86 H149 N14 O14.5 S -","- C172 H298 N28 O29 S2 -","2","1","","Md. Alamgir Hossain; José M. Llinares; Douglas Powell; Kristin Bowman-James","Multiple Hydrogen Bond Stabilization of a Sandwich Complex of Sulfate between Two Macrocyclic Tetraamides","Inorganic Chemistry","2001","40","","2936","2937","10.1021/ic015508x","","","0.71073","MoKα","","0.2349","0.0648","","","0.1337","0.1697","","","","","","0.708","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319903","10.6378","0.0005","22.0466","0.0011","10.9585","0.0005","90","","94.214","0.001","90","","2563.1","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Co(TPP)(PhCH2CH2NH2)2]SbF6","bis(phenethylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C60 H50 Co F6 N6 Sb -","- C60 H50 Co F6 N6 Sb -","- C120 H100 Co2 F12 N12 Sb2 -","2","1","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.0388","0.0334","","","0.0708","0.0745","","","","","","1.109","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4319922","17.718","0.003","15.838","0.003","25.509","0.003","90","","99.2","0.02","90","","7066","2","301.2","","301.2","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C129 H118 B2 Cu6 F8 N4 O3 P8 Se4 -","- C129 H118 B2 Cu6 F8 N4 O3 P8 Se4 -","- C258 H236 B4 Cu12 F16 N8 O6 P16 Se8 -","2","1","","Vivian Wing-Wah Yam; Chi-Ho Lam; Wendy Kit-Mai Fung; Kung-Kai Cheung","Syntheses, Photophysics, and Photochemistry of Trinuclear Copper(I) Thiolate and Hexanuclear Copper(I) Selenolate Complexes: X-ray Crystal Structures of [Cu6(μ-dppm)4(μ3-SePh)4](BF4)2 and [Cu6{μ-(Ph2P)2NH}4(μ3-SePh)4](BF4)2","Inorganic Chemistry","2001","40","","3435","3442","10.1021/ic0012322","","","0.7107","MoKalpha","","","0.0793","","","0.1071","","","","","2.357","2.357","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319942","11.7551","0.0005","16.799","0.0006","18.7648","0.0009","90","","104.621","0.008","90","","3585.6","0.3","294","","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H97 Cl5 N2 O29 Pt -","- C53 H90 Cl5 N2 O29 Pt -","- C106 H180 Cl10 N4 O58 Pt2 -","2","1","","Dominique Armspach; Dominique Matt","Metal-Capped α-Cyclodextrins: Squaring the Circle","Inorganic Chemistry","2001","40","","3505","3509","10.1021/ic001414w","","","0.71073","Mo-Kα","","0.094","0.05","","1.387","","0.063","","","9.83","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320007","15.4831","0.0004","30.1771","0.0007","16.2334","0.0004","90","","97.208","0.001","90","","7524.9","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C132 H124 Cl8 Fe4 N30 O43 -","- C132 H91 Cl8 Fe4 N30 O43 -","- C264 H182 Cl16 Fe8 N60 O86 -","2","1","","Pramatha Payra; Shao-Ching Hung; Wai Him Kwok; Dean Johnston; Judith Gallucci; Michael K. Chan","Structural, Magnetic and Catalytic Properties of a Self-Recognized μ-Oxo-Bridged Diiron(III) Bis(benzimidazole) Complex","Inorganic Chemistry","2001","40","","4036","4039","10.1021/ic0013781","","","0.71073","MoKα","","0.1056","0.0819","","0.2413","0.2214","","","","1.065","1.105","1.105","","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320078","7.422","0.007","11.397","0.005","12.61","0.002","90","","102.1","0.05","90","","1043","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl Cu N3 O7 -","- C19 H18 Cl Cu N3 O7 -","- C38 H36 Cl2 Cu2 N6 O14 -","2","1","","P. S. Subramanian; E. Suresh; P. Dastidar; S. Waghmode; D. Srinivas","Conformational Isomerism and Weak Molecular and Magnetic Interactions in Ternary Copper(II) Complexes of [Cu(AA)L']ClO4.nH2O, Where AA = l-Phenylalanine and l-Histidine, L' = 1,10-Phenanthroline and 2,2-Bipyridine, and n = 1 or 1.5: Synthesis, Single-Crystal X-ray Structures, and Magnetic Resonance Investigations","Inorganic Chemistry","2001","40","","4291","4301","10.1021/ic010182d","","","0.7107","MoK/a","","0.0644","0.0574","","","0.1657","0.174","","","","","","1.157","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320146","19.83","0.003","18.193","0.002","30.101","0.004","90","","100.28","0.02","90","","10685","3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C132 H200 Cu29 P9 Te21 -","- C132 Cu29 P9 Te21 -","- C264 Cu58 P18 Te42 -","2","1","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.093","0.0836","","","0.2237","0.231","","","","","","1.112","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00",""
"4320260","7.9485","0.0003","18.7082","0.0007","13.993","0.0006","90","","104.341","0.001","90","","2015.95","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H27 Au Cl4 O8 -","- C10 H20 Au Cl4 O8 -","- C40 H80 Au4 Cl16 O32 -","4","2","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.0762","0.0582","","","0.1574","0.1743","","","","","","1.046","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320278","10.885","0.005","14.577","0.006","12.064","0.006","90","","92.72","0.03","90","","1912","1.5","297","","297","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H48 B Cl2 F4 P4 Rh -","- C32 H40 B Cl2 F4 P4 Rh -","- C64 H80 B2 Cl4 F8 P8 Rh2 -","2","1","","Clinton Hunt; Frank R. Fronczek; Damon R. Billodeaux; George G. Stanley","A Monometallic Rh(III) Tetraphosphine Complex: Reductive Activation of CH2Cl2 and Selective Meso to Racemic Tetraphosphine Ligand Isomerization","Inorganic Chemistry","2001","40","","5192","5198","10.1021/ic010003s","","","1.54184","Cu-Kα","","0.193","0.083","","0.139","0.074","","","","1.964","1.033","1.033","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320284","15.042","0.003","5.018","0.0006","10.3051","0.0014","90","","90.884","0.019","90","","777.7","0.2","200","3","200","3","","","","","","","provided by O. Ruscitti","3","P 1 21 1","P 2yb","4","TeCF3","","","- C14 F14 Te -","- C14 F14 Te -","- C28 F28 Te2 -","2","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0555","0.045","","","0.1071","0.1113","","","","","","0.99","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320288","9.324","0.002","7.512","0.003","9.687","0.002","90","0.03","106.82","0.02","90","0.02","649.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 F10 Te -","- C12 F10 Te -","- C24 F20 Te2 -","2","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0287","0.0273","","0.0784","0.0739","","","","1.278","1.225","1.225","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320339","11.8267","0.0009","13.0023","0.0014","12.0219","0.001","90","","114.373","0.009","90","","1683.9","0.3","200","3","200","3","","","","","","","provided by O. Ruscetti","3","P 1 21 1","P 2yb","4","Te-F","","","- C14 F16 Te -","- C14 F16 Te -","- C56 F64 Te4 -","4","2","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0299","0.0284","","","0.073","0.0737","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320392","8.223","0.0009","12.959","0.002","12.577","0.0015","90","","100.2","0.009","90","","1319","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-Bis-propyl-di-pinene-[5,6]-bipyridine","","","- C30 H40 N2 -","- C30 H40 N2 -","- C60 H80 N4 -","2","1","","Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger","Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry","Inorganic Chemistry","2001","40","","5675","5681","10.1021/ic010411w","","","0.71069","MoKα","","0.1976","0.0826","","0.2261","0.1629","","","","1.04","1.19","1.19","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320418","9.244","0.005","14.891","0.009","9.648","0.005","90","","100.879","0.011","90","","1304.2","1.3","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H34 Cl Ir O P2 -","- C25 H34 Cl Ir O P2 -","- C50 H68 Cl2 Ir2 O2 P4 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0381","0.0364","","","0.0991","0.1003","","","","","","1.095","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00",""
"4320419","9.1715","0.0006","14.7803","0.001","9.7107","0.0006","90","","101.541","0.001","90","","1289.74","0.15","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 Ir O P2 -","- C26 H37 Ir O P2 -","- C52 H74 Ir2 O2 P4 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0224","0.021","","","0.0534","0.0541","","","","","","1.027","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320423","6.392","0.007","7.497","0.008","12.274","0.012","90","","100.712","0.019","90","","577.9","1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 O P -","- C12 H17 O P -","- C24 H34 O2 P2 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0949","0.0518","","","0.0885","0.0985","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320440","10.99","0.003","15.57","0.004","10.251","0.003","90","","98.05","0.03","90","","1736.8","0.8","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N4 O2 P -","- C38 H51 N4 O2 P -","- C76 H102 N8 O4 P2 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0737","","","","0.1103","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320532","9.712","0.002","10.0849","0.0014","14.7712","0.0016","90","","90.437","0.013","90","","1446.7","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-dichloro(1,2-etanediolato)bis(2,6- diisopropylphenolato)tungsten(VI)","","- C26 H38 Cl2 O4 W -","- C26 H38 Cl2 O4 W -","- C52 H76 Cl4 O8 W2 -","2","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.0377","0.027","","","0.0545","0.0572","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320682","12.6843","0.0002","18.3911","0.0003","13.1692","0.0003","90","","112.85","0.001","90","","2831","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H67 N14 Nb -","- C47 H67 N14 Nb -","- C94 H134 N28 Nb2 -","2","1","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.0682","0.0523","","0.1459","0.1388","","","","1.041","1.107","1.107","","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00",""
"4320712","13.4002","0.0007","11.4675","0.0006","13.7739","0.0008","90","","97.01","","90","","2100.8","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H29 N O13 P2 Pt Ru4 -","- C37 H29 N O13 P2 Pt Ru4 -","- C74 H58 N2 O26 P4 Pt2 Ru8 -","2","1","","Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters","Inorganic Chemistry","2001","40","","6731","6736","10.1021/ic0106423","","","0.7093","","","0.0697","0.0392","","","0.0542","0.0589","","","","","","0.802","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320718","9.377","0.002","13.071","0.002","10.818","0.002","90","","94.65","0.02","90","","1321.6","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","Tris-(mu-chloro)-bis-chloro-tetrakis-trimethylphosphine- di-rhenium(II,III)","","- C12 H36 Cl5 P4 Re2 -","- C12 H36 Cl5 P4 Re2 -","- C24 H72 Cl10 P8 Re4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4","Inorganic Chemistry","2001","40","","6825","6831","10.1021/ic010653w","","","0.71073","MoKα","","0.0637","0.063","","0.1642","0.1625","","","","1.042","1.04","1.04","","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320729","7.1121","0.0007","20.541","0.002","20.923","0.002","90","","99.785","0.001","90","","3012.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H2 N3 O Se2 -","- C6 H2 N3 O Se2 -","- C96 H32 N48 O16 Se32 -","16","8","","J. F. Britten; O. P. Clements; A. W. Cordes; R. C. Haddon; R. T. Oakley; J. F. Richardson","Stacking Efficiency of Diselenadiazolyl π-Dimers. Consequences for Electronic Structure and Transport Properties","Inorganic Chemistry","2001","40","","6820","6824","10.1021/ic010678v","","","0.71073","MoKα","","0.0443","0.0315","","","0.0764","0.0825","","","","","","1.036","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320740","9.286","0.003","18.759","0.006","9.957","0.003","90","","102.817","0.006","90","","1691.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 N3 O5 Re -","- C40 H38 N3 O5 Re -","- C80 H76 N6 O10 Re2 -","2","1","","Virginie M. Béreau; Saeed I. Khan; Mahdi M. Abu-Omar","Synthesis of Enantiopure Oxorhenium(V) and Arylimidorhenium(V) ""3 + 2"" Schiff Base Complexes. X-ray Diffraction, Cyclic Voltammetry, UV-Vis, and Circular Dichroism Characterizations","Inorganic Chemistry","2001","40","","6767","6773","10.1021/ic0108033","","","0.71073","MoKα","","0.0322","0.023","","","0.0362","0.0381","","","","","","0.802","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320772","12.781","0.007","21.254","0.011","14.342","0.008","90","","104.886","0.009","90","","3765","4","298","2","298","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C31.5 H33 B Cl F4 O4 P Ru2 Si2 -","- C31.5 H33 B Cl F4 O4 P Ru2 Si2 -","- C126 H132 B4 Cl4 F16 O16 P4 Ru8 Si8 -","4","2","","Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici","Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles","Inorganic Chemistry","2001","40","","7014","7019","10.1021/ic010644n","","","0.71073","MoKα","","0.0673","0.0526","","","0.122","0.1302","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320818","11.2627","0.0004","20.5992","0.0008","22.2126","0.0008","90","","102.572","0.001","90","","5029.8","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H132 N21 Nd3 O39 -","- C66 H97 N21 Nd3 O39 -","- C132 H194 N42 Nd6 O78 -","2","1","","C. Den Auwer; M. C. Charbonnel; M. G. B. Drew; M. Grigoriev; M. J. Hudson; P. B. Iveson; C. Madic; M. Nierlich; M. T. Presson; R. Revel; M. L. Russell; P. Thuéry","Crystallographic, X-ray Absorption, and IR Studies of Solid- and Solution-State Structures of Tris(nitrato)N,N,N',N'-Tetraethylmalonamide Complexes of Lanthanides. Comparison with the Americium Complex","Inorganic Chemistry","2000","39","","1487","1495","10.1021/ic990817x","","","0.71073","MoKα","","0.0608","0.0351","","0.1115","","0.0822","","","1.008","","","1.055","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320823","11.357","0.007","9.613","0.005","12.326","0.007","90","","97.66","0.05","90","","1333.7","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N2 O9 V -","- C28 H27 N2 O9 V -","- C56 H54 N4 O18 V2 -","2","1","","Kajal Krishna Rajak; Bharat Baruah; Sankar Prasad Rath; Animesh Chakravorty","Sugar Binding to VO3+. Synthesis and Structure of a New Mannopyranoside Vanadate","Inorganic Chemistry","2000","39","","1598","1601","10.1021/ic9910460","","","0.71073","MoKα","","0.08","0.0536","","0.1243","0.1012","","","","1.036","1.069","1.069","","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320873","11.36","0.006","8.9614","0.0017","11.405","0.009","90","","97.22","0.09","90","","1151.8","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H18 K2 Mn O25 U -","- C8 K2 Mn O25 U -","- C16 K4 Mn2 O50 U2 -","2","1","","Klaus P. Mörtl; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Olivier Kahn","Structure and Magnetic Characteristics of an Oxalate-Bridged U(IV)-Mn(II) Three-Dimensional Network","Inorganic Chemistry","2000","39","","1626","1627","10.1021/ic9911825","","","0.71073","MoKα","","0.0219","0.0199","","","0.0532","0.0548","","","","","","0.684","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320945","10.666","0.002","16.27","0.003","12.002","0.003","90","0.02","114.81","0.02","90","0.02","1890.5","0.8","153","5","153","5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 O3 Se4 Sm Zn -","- C36 H44 O3 Se4 Sm Zn -","- C72 H88 O6 Se8 Sm2 Zn2 -","2","1","","Deborah Freedman; Anna Kornienko; Thomas J. Emge; John G. Brennan","Divalent Samarium Compounds with Heavier Chalcogenolate (EPh; E = Se, Te) Ligands","Inorganic Chemistry","2000","39","","2168","2171","10.1021/ic9913278","","","0.71073","MoKα","","0.0579","0.0366","","","0.0812","0.0858","","","","","","1.026","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320946","8.2051","0.0012","16.511","0.003","8.1432","0.0002","90","","111.597","0.0006","90","","1025.7","0.2","180.2","","180.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 F17 O6 Sb3 W -","- C6 F17 O6 Sb3 W -","- C12 F34 O12 Sb6 W2 -","2","1","","Raimund Bröchler; Iona H. T. Sham; Matthias Bodenbinder; Volker Schmitz; Steven J. Rettig; James Trotter; Helge Willner; Friedhelm Aubke","The Synthesis and the Molecular Structure of Hexakis(carbonyl)hexafluoroantimonato(V)tungsten(II) Undecafluorodiantimonate(V), [W(CO)6(FSbF5)][Sb2F11]","Inorganic Chemistry","2000","39","","2172","2177","10.1021/ic991331j","","","0.7107","MoKα","","0.0428","","","0.0475","","","","","1.124","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320985","4.762","0.001","16.086","0.003","8.698","0.002","90","","90.65","0.03","90","","666.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Compound1","","- C2 H16 As3 Fe N2 O13 -","- C2 H16 As3 Fe N2 O13 -","- C4 H32 As6 Fe2 N4 O26 -","2","1","","S. Ekambaram; Slavi C. Sevov","Synthesis and Characterization of Four Ethylenediamine-Templated Iron Arsenates","Inorganic Chemistry","2000","39","","2405","2410","10.1021/ic991367b","","","0.71073","MoKα","","0.0283","0.0244","","","0.0533","0.0548","","","","","","1.046","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321071","7.3387","0.0009","17.969","0.002","7.4432","0.0009","90","","97.814","0.002","90","","972.4","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl Cu O4 S4 -","- C13 H24 Cl Cu O4 S4 -","- C26 H48 Cl2 Cu2 O8 S8 -","2","1","","Prabodha Wijetunge; Chandrika P. Kulatilleke; Luke T. Dressel; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Effect of Conformational Constraints on Gated Electron-Transfer Kinetics. 3. Copper(II/I) Complexes with cis- and trans-Cyclopentanediyl-1,4,8,11-tetrathiacyclotetradecane1","Inorganic Chemistry","2000","39","","2897","2905","10.1021/ic0000909","","","0.71073","MoKα","","0.0602","0.0564","","","0.1677","0.17","","","","","","1.086","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4321111","11.721","0.002","21.801","0.003","12.027","0.005","90","","111.93","0.02","90","","2850.9","1.4","163","2","163","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C50 H61 Co3 F12 N15 O2 P2 -","- C50 H32 Co3 F12 N15 O2 P2 -","- C100 H64 Co6 F24 N30 O4 P4 -","2","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","New Linear Tricobalt Complex of Di(2-pyridyl)amide (dpa), [Co3(dpa)4(CH3CN)2][PF6]2","Inorganic Chemistry","2000","39","","3065","3070","10.1021/ic000042o","","","0.71073","MoKα","","0.0552","0.0425","","0.117","0.1104","","","","1.077","1.082","1.082","","","","","has coordinates,has disorder","179314","2020-10-21","18:00:00",""
"4321113","11.7576","0.0007","21.9059","0.0006","12.0621","0.0005","90","","111.883","0.003","90","","2882.9","0.2","213","2","213","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C50 H61 Co3 F12 N15 O2 P2 -","- C50 H32 Co3 F12 N15 O2 P2 -","- C100 H64 Co6 F24 N30 O4 P4 -","2","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","New Linear Tricobalt Complex of Di(2-pyridyl)amide (dpa), [Co3(dpa)4(CH3CN)2][PF6]2","Inorganic Chemistry","2000","39","","3065","3070","10.1021/ic000042o","","","0.71073","MoKα","","0.0445","0.0428","","0.116","0.1141","","","","1.128","1.129","1.129","","","","","has coordinates,has disorder","179314","2020-10-21","18:00:00",""
"4321160","5.2051","0.0008","12.736","0.002","9.773","0.001","90","","95.162","0.006","90","","645.25","0.16","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 Ag2 N2 O6 -","- C10 H12 Ag2 N2 O6 -","- C20 H24 Ag4 N4 O12 -","2","1","","Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke; Nemoto, Satomi; Takayama, Toshio; Oda, Munehiro","Synthesis and Characterization of Water-Soluble Silver(I) Complexes with l-Histidine (H2his) and (S)-(-)-2-Pyrrolidone-5-carboxylic Acid (H2pyrrld) Showing a Wide Spectrum of Effective Antibacterial and Antifungal Activities. Crystal Structures of Chiral Helical Polymers [Ag(Hhis)]n and {[Ag(Hpyrrld)]2}n in the Solid State","Inorganic Chemistry","2000","39","","3301","3311","10.1021/ic990526o","","","0.7107","MoKα","","0.0262","0.026","","0.03","","0.03","","","1.091","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4321184","10.658","0.01","32.862","0.006","13.787","0.005","90","0.005","96.47","0.005","90","0.005","4798","5","208","2","208","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H51 B9 Cl N P2 -","- C50 H51 B9 Cl N P2 -","- C200 H204 B36 Cl4 N4 P8 -","4","2","","Katja Siegburg; Wilhelm Preetz","Synthesis of Monohalogeno Derivatives of closo-[B~9~H~9~]^2-^. Crystal Structures of (Ph~4~P)~2~[1-XB~9~H~8~]*CH~3~CN (X = Cl, Br, I)","Inorganic Chemistry","2000","39","","3280","3282","10.1021/ic9913334","","","0.71069","MoKα","","0.0482","0.0388","","","0.1137","0.1361","","","","","","1.052","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321185","10.673","0.002","32.875","0.003","13.802","0.004","90","","96.47","0.014","90","","4811.9","1.7","208","2","208","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C100 H102 B18 Br2 N2 P4 -","- C100 H102 B18 Br2 N2 P4 -","- C200 H204 B36 Br4 N4 P8 -","2","1","","Katja Siegburg; Wilhelm Preetz","Synthesis of Monohalogeno Derivatives of closo-[B~9~H~9~]^2-^. Crystal Structures of (Ph~4~P)~2~[1-XB~9~H~8~]*CH~3~CN (X = Cl, Br, I)","Inorganic Chemistry","2000","39","","3280","3282","10.1021/ic9913334","","","0.71069","MoKα","","0.0496","0.0364","","","0.0983","0.1123","","","","","","1.062","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321192","5.739","0.001","7.671","0.002","9.04","0.001","90","","104.73","0.01","90","","384.9","0.13","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 Ag N3 O2 -","- C6 H8 Ag N3 O2 -","- C12 H16 Ag2 N6 O4 -","2","1","","Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke; Nemoto, Satomi; Takayama, Toshio; Oda, Munehiro","Synthesis and Characterization of Water-Soluble Silver(I) Complexes with l-Histidine (H2his) and (S)-(-)-2-Pyrrolidone-5-carboxylic Acid (H2pyrrld) Showing a Wide Spectrum of Effective Antibacterial and Antifungal Activities. Crystal Structures of Chiral Helical Polymers [Ag(Hhis)]n and {[Ag(Hpyrrld)]2}n in the Solid State","Inorganic Chemistry","2000","39","","3301","3311","10.1021/ic990526o","","","0.7107","MoKα","","0.0241","0.024","","0.028","","0.028","","","1.289","","","1.29","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4321221","7.494","0.001","11.649","0.002","7.584","0.001","90","","92.03","0.01","90","","661.65","0.17","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 2b","","","- C8 H18 N3 S3 V -","- C8 H18 N3 S3 V -","- C16 H36 N6 S6 V2 -","2","1","","Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota","Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes","Inorganic Chemistry","2000","39","","3485","3498","10.1021/ic9909476","","","0.71073","MoKα","","0.0321","0.0311","","0.089","0.0868","","","","1.2","1.183","1.183","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321324","7.5134","0.0001","14.2737","0.0003","8.2653","0.0002","90","","98.264","0.001","90","","877.2","0.03","173","2","173","2","","","","","","","B. Lam / Prof. W. Tolman","6","P 1 21 1","P 2yb","4","97328aaa","","","- C12 H26 Cl Cu N4 O4 -","- C12 H26 Cl Cu N4 O4 -","- C24 H52 Cl2 Cu2 N8 O8 -","2","1","","Bernice M. T. Lam; Jason A. Halfen; Victor G. Young,; John R. Hagadorn; Patrick L. Holland; Agustí Lledós; Lourdes Cucurull-Sánchez; Juan J. Novoa; Santiago Alvarez; William B. Tolman","Ligand Macrocycle Structural Effects on Copper-Dioxygen Reactivity","Inorganic Chemistry","2000","39","","4059","4072","10.1021/ic000248p","","","0.71073","MoKα","","0.0596","0.0562","","0.1611","0.1561","","","","1.075","1.081","1.081","","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321400","6.957","0.002","23.774","0.002","7.758","0.003","90","","94.72","0.03","90","","1278.8","0.6","296.2","","296.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl Cu2 N4 O6 S -","- C24 H26 Cl Cu2 N4 O6 S -","- C48 H52 Cl2 Cu4 N8 O12 S2 -","2","1","","Misato Shinoura; Satoru Kita; Masaaki Ohba; Hisashi Ōkawa; Hideki Furutachi; Masatatsu Suzuki","A Heterodinuclear CoIICuI Complex with Co(salen) in a Macrocyclic Framework. Oxygenation Studies in Comparison with Analogous CuIICuI and CoIIPbII Complexes","Inorganic Chemistry","2000","39","","4520","4526","10.1021/ic000305e","","","0.7107","MoKα","","0","0","","","0","0.041","","","","","","1.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321405","16.962","0.002","13.933","0.005","17.125","0.004","90","","93.262","0.015","90","","4040.6","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H56 N4 O4 P4 S4 -","- C26 H56 N4 O4 P4 S4 -","- C104 H224 N16 O16 P16 S16 -","4","2","","Praveen Kommana; K. C. Kumara Swamy","Synthesis and Structural Characterization of a New Class of Macrocycles Based on a Cyclodiphosphazane Skeleton","Inorganic Chemistry","2000","39","","4384","4385","10.1021/ic000359o","","","0.71073","MoKα","","0.0622","0.0392","","","0.0801","0.0952","","","","","","1.077","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321452","13.176","0.004","13.08","0.004","14.546","0.004","90","","95.363","0.006","90","","2495.9","1.3","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H76 O5 P2 Si4 Sm -","- C38 H76 O5 P2 Si4 Sm -","- C76 H152 O10 P4 Si8 Sm2 -","2","1","","Keith Izod; Paul O'Shaughnessy; Joanne M. Sheffield; William Clegg; Stephen T. Liddle","Synthesis and Structural Characterization of Sm(II) and Yb(II) Complexes Containing Sterically Demanding, Chelating Secondary Phosphide Ligands","Inorganic Chemistry","2000","39","","4741","4748","10.1021/ic0002871","","","0.71073","MoKα","","0.1251","0.1015","","","0.2418","0.2533","","","","","","1.033","","","","has coordinates,has disorder","179317","2020-10-21","18:00:00",""
"4321571","12.347","0.004","20.884","0.004","12.62","0.007","90","","119.02","0.04","90","","2846","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","(K-crypt)2[InBi3]","","","- C38 H72 Bi3 In K2 N6 O12 -","- C38 H72 Bi3 In K2 N6 O12 -","- C76 H144 Bi6 In2 K4 N12 O24 -","2","1","","Li Xu; Slavi C. Sevov","Heteroatomic Deltahedral Clusters of Main-Group Elements: Synthesis and Structure of the Zintl Ions [In4Bi5]3-, [InBi3]2-, and [GaBi3]2-","Inorganic Chemistry","2000","39","","5383","5389","10.1021/ic000925f","","","0.71073","MoKα","","0.107","0.0605","","","0.1444","0.1697","","","","","","1.014","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321582","9.83","0.002","9.516","0.001","10.696","0.001","90","","106.994","0.01","90","","956.8","0.2","293.2","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Ichiro Ino; Liang Ping Wu; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Ryusuke Sakai","Bridged Silver(I) Complexes of the Polycyclic Aromatic Compounds Tetraphenylethylene and 1,1,4,4-Tetraphenyl-1,3-butadiene","Inorganic Chemistry","2000","39","","5430","5436","10.1021/ic000263u","","","0.7107","MoKα","","","0.0472","","","","0.15","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4321608","13.9375","0.0014","20.6604","0.0018","16.6684","0.0019","90","","110.619","0.012","90","","4492.3","0.9","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H88 N14 Ni8 O25.5 S4 -","- C61 H88 N14 Ni8 O25.5 S4 -","- C122 H176 N28 Ni16 O51 S8 -","2","1","","Juan M. Clemente-Juan; Benoît Chansou; Bruno Donnadieu; Jean-Pierre Tuchagues","Synthesis, Structure, and Magnetic Properties of the Low-Symmetry Tetranuclear Cubane-like Nickel Complex [Ni4(pypentO)(pym)(μ3-OH)2(μ-Oac)2(NCS)2(OH2)]","Inorganic Chemistry","2000","39","","5515","5519","10.1021/ic0005442","","","0.71073","MoKα","","0.0491","0.0434","","","0.1127","0.1161","","","","","","1.021","","","","has coordinates","201169","2020-10-21","18:00:00",""
"4321777","21.224","0.005","10.7537","0.0008","22.723","0.005","90","","116.76","0.01","90","","4630.8","1.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H37 Co Fe N11 Na O4 -","- C18 H29 Co Fe N11 Na O4 -","- C108 H174 Co6 Fe6 N66 Na6 O24 -","6","3","","Paul V. Bernhardt; Manuel Martinez","The First Structurally Characterized Discrete Dinuclear μ-Cyano Hexacyanoferrate Complex","Inorganic Chemistry","1999","38","","424","425","10.1021/ic981019u","","","0.71073","MoKα","","0.1928","0.0923","","0.3227","0.2453","","","","1.017","1.155","1.155","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321797","8.9041","0.0006","19.6838","0.0012","14.3184","0.0009","90","","106.523","0.001","90","","2405.9","0.3","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","4b","","- C54 H49 N O4 P2 Pt S -","- C55 H49 N O5 P2 Pt S -","- C110 H98 N2 O10 P4 Pt2 S2 -","2","1","","Jennifer J. Becker; Peter S. White; Michel R. Gagné","Synthesis and Characterization of Chiral Platinum(II) Sulfonamides: (dppe)Pt(NN) and (dppe)Pt(NO) Complexes","Inorganic Chemistry","1999","38","","798","801","10.1021/ic981287s","","","0.7093","MolybdenumKα","","0.039","0.034","","0.045","0.036","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321820","13.0052","0.0002","11.224","0.0002","14.307","0.0003","90","","93.19","0.001","90","","2085.16","0.07","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H41 In N2 P2 S4 -","- C42 H41 In N2 P2 S4 -","- C84 H82 In2 N4 P4 S8 -","2","1","","Paulo Pérez-Lourido; Jaime Romero; José Arturo García-Vázquez; Antonio Sousa; Kevin Maresca; Jon Zubieta","Synthesis and Characterization of Indium Compounds with Phosphinothiol Ligands. The Crystal and Molecular Structures of [In{2-(Ph2P)C6H4S}3], [In{2-(Ph2P)-6-(Me3Si)C6H3S}2{2-(Ph2PO)-6-(Me3Si)C6H3S}], and [NMe4][In{PhP(C6H4S-2)2}2].CH3CN","Inorganic Chemistry","1999","38","","1293","1298","10.1021/ic980282s","","","0.71073","MoKα","","0.0381","0.0352","","0.0929","0.0869","","","","1.122","1.1","1.1","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321827","10.0295","0.0005","26.3564","0.0013","14.1032","0.0007","90","","94.6914","0.001","90","","3715.6","0.3","153","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~]","Di-(Bis-triphenylphosphonium iminium)(hexacarbonyl μ-sulfur dioxide diferrate)","","- C80 H63 Fe2 N3 O10 P4 S2 -","- C80 H63 Fe2 N3 O10 P4 S2 -","- C160 H126 Fe4 N6 O20 P8 S4 -","2","1","","Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver","New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors.","Inorganic Chemistry","1999","38","","1282","1287","10.1021/ic980762j","","","0.71069","MoKα","","0.0889","0.0663","","","0.1717","0.1825","","","","","","0.996","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321930","11.064","0.004","7.51","0.002","13.779","0.003","90","0.02","90.6","0.02","90","0.03","1144.8","0.6","293","2","293","2","","","","","","","Dichloromethane/Petrolether 60/70","7","P 1 21 1","P 2yb","4","(2-Dimethylaminobenzaldehyde)-zinc-bis(pentafluorothiophenolate)","","","- C21 H11 F10 N O S2 Zn -","- C21 H11 F10 N O S2 Zn -","- C42 H22 F20 N2 O2 S4 Zn2 -","2","1","","Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp","Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase","Inorganic Chemistry","1999","38","","1900","1907","10.1021/ic981227m","","","0.71073","MoKα","","0.2373","0.058","","","0.1354","0.188","","","","","","1.02","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4321944","11.617","0.001","10.124","0.002","17.473","0.004","90","","100.75","0.01","90","","2018.9","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H4 Cs6 Mo4 N12 O2 Te4 -","- C12 Cs6 Mo4 N12 O2 Te4 -","- C24 Cs12 Mo8 N24 O4 Te8 -","2","1","","V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes","Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores","Inorganic Chemistry","1999","38","","1956","1965","10.1021/ic980956z","","","0.71069","MoKα","","0.0939","0.0634","","","0.1466","0.1542","","","","","","0.826","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4321967","7.303","","14.337","0.001","8.167","0.001","90","","92.25","0.01","90","","854.45","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","3a","","","- C17 H23 N2 O3 Ru -","- C17 H23 N2 O3 Ru -","- C34 H46 N4 O6 Ru2 -","2","1","","Heather D. Hansen; Kalyani Maitra; John H. Nelson","Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry","Inorganic Chemistry","1999","38","","2150","2156","10.1021/ic981304d","","","0.71073","MoKα","","0.0191","0.0184","","0.047","0.0462","","","","1.016","1.018","1.018","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4321968","10.1105","0.0012","10.1873","0.001","15.66","0.002","90","","91.524","0.008","90","","1612.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4a","","","- C17 H20 N2 Ru S -","- C17 H20 N2 Ru S -","- C68 H80 N8 Ru4 S4 -","4","2","","Heather D. Hansen; Kalyani Maitra; John H. Nelson","Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry","Inorganic Chemistry","1999","38","","2150","2156","10.1021/ic981304d","","","0.71073","MoKα","","0.0554","0.0402","","0.0882","0.0786","","","","1.072","1.016","1.016","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4322061","10.983","0.005","16.96","0.006","9.058","0.004","90","","98.03","0.07","90","","1670.7","1.2","295","2","295","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","","","- C23 H39 Ce Cl3 N3 O10 -","- C23 H27 Ce Cl3 N3 O10 -","- C46 H54 Ce2 Cl6 N6 O20 -","2","1","","Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta","Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site","Inorganic Chemistry","1999","38","","2906","2916","10.1021/ic980715r","","","0.71073","MoKα","","0.0922","0.0813","","0.2379","0.2084","","","","2.392","2.392","2.392","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322062","10.87","0.005","16.785","0.006","9.046","0.004","90","","97.91","0.07","90","","1634.8","1.2","295","2","295","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","","","- C23 H39 Cl3 Dy N3 O10 -","- C22 H27 Cl3 Dy N3 O10 -","- C44 H54 Cl6 Dy2 N6 O20 -","2","1","","Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta","Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site","Inorganic Chemistry","1999","38","","2906","2916","10.1021/ic980715r","","","0.71073","MoKα","","0.0541","0.0467","","0.1816","0.1423","","","","1.484","1.484","1.484","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322124","13.645","0.004","7.022","0.002","15.5","0.004","90","","113.98","0.02","90","","1356.9","0.7","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N O11 V -","- C25 H32 N O11 V -","- C50 H64 N2 O22 V2 -","2","1","","Kajal Krishna Rajak; Sankar Prasad Rath; Sujit Mondal; Animesh Chakravorty","Carbohydrate Binding to VO3+. Sugar Vanadate Esters Incorporating l-Amino Acid Schiff Bases as Coligands","Inorganic Chemistry","1999","38","","3283","3289","10.1021/ic981344h","","","0.71073","MoKα","","0.0962","0.063","","0.1891","0.1375","","","","1.03","1.079","1.079","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322158","17.311","0.006","34.761","0.01","18.052","0.006","90","","94.73","0.02","90","","10826","6","133","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","Au~3~(PhCH~2~N=COCH~3~)~3~","","","- C27 H30 Au3 N3 O3 -","- C27 H30 Au3 N3 O3 -","- C432 H480 Au48 N48 O48 -","16","8","","Alan L. Balch; Marilyn M. Olmstead; Jess C. Vickery","Gold(I) Compounds without Significant Aurophilic Intermolecular Interactions: Synthesis, Structure, and Electronic Properties of Ph~3~PAuC(O)NHCH~3~ and Au~3~(PhCH~2~N=COCH~3~)~3~: Comparative Monomeric and Trimeric Analogues of the Solvoluminescent Trimer, Au~3~(CH~3~N=COCH~3~)~3~.","Inorganic Chemistry","1999","38","","3494","3499","10.1021/ic990080b","","","0.71073","MoKα","","0.1145","0.0735","","0.2149","0.1775","","","","1.002","","","1.032","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322178","11.187","0.001","12.172","0.003","11.661","0.001","90","","114.96","0.01","90","","1439.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","aquabis(L-prolinate)copper(II) diaquabis(L-prolinate)copper(II) monohydrate","","- C20 H42 Cu2 N4 O13 -","- C20 Cu2 N4 O13 -","- C40 Cu4 N8 O26 -","2","1","","R. P. Sartoris; L. Ortigoza; N. M. C. Casado; Rafael Calvo; E. E. Castellano; O. E. Piro","Structure, Single Crystal EPR Spectra, and Exchange Interactions in [Cu(l-proline)2]2.5H2O and Cu(d,l-proline)2.2H2O","Inorganic Chemistry","1999","38","","3598","3604","10.1021/ic9900758","","","0.71073","MoKα","","","0.038","","","0.04","","","","","1.23","1.23","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322191","22.7553","0.001","15.1678","0.001","22.7921","0.001","90","","116.69","","90","","7028.5","0.6","210","2","210","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H57 Cl N4 Si3 U -","- C24 H57 Cl N4 Si3 U -","- C192 H456 Cl8 N32 Si24 U8 -","8","4","","Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott","Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands","Inorganic Chemistry","1999","38","","3651","3656","10.1021/ic990563f","","","0.71073","MoKα","","0.0738","0.0611","","","0.1574","0.1718","","","","","","1.242","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322296","11.054","0.002","28.14","0.006","12.566","0.002","90","","90.583","0.01","90","","3908.6","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C89 H76 N7 O3 P4 S W -","- C89 H77 N7 O3 P4 S W -","- C178 H154 N14 O6 P8 S2 W2 -","2","1","","Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies","Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands","Inorganic Chemistry","1999","38","","4705","4714","10.1021/ic9804216","","","0.71073","MoKα","","0.0471","0.0362","","0.0975","0.0854","","","","1.051","1.031","1.031","","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4322407","10.7986","0.0002","12.0402","0.0003","19.9108","0.0005","90","","98.259","0.001","90","","2561.9","0.1","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H53 B5 Cl3 O Os P3 -","- C51 H46 B5 Cl3 O Os P3 -","- C102 H92 B10 Cl6 O2 Os2 P6 -","2","1","","Paul McQuade; Kevin Hupp; Jonathan Bould; Hong Fang; Nigam P. Rath; Rhodri Ll. Thomas; Lawrence Barton","Degradation and Modification of Metallaboranes: Reactions of the Hexaborane(10) Analogue nido-(PPh3)2(CO)OsB5H9 with Phosphines and the Crystal and Molecular Structure of [2,2,2-(PPh3)2(CO)-nido-2-OsB4H7-3-BH2.PPh2Me]","Inorganic Chemistry","1999","38","","5415","5424","10.1021/ic990688k","","","0.71073","MoKα","","0.1099","0.0741","","","0.1676","0.1855","","","","","","1.018","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322491","7.8145","0.0018","24.201","0.006","7.9925","0.0014","90","","117.991","0.016","90","","1334.7","0.5","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","O-ethylcysteinato(hydrotris(3,5-dimethyl-1-pyrazolyl)borato)nickel(II)","","- C21 H36 B N7 Ni O3 S -","- C23 H31 B N7 Ni O3 S -","- C46 H62 B2 N14 Ni2 O6 S2 -","2","1","","Patrick J. Desrochers; Russell W. Cutts; Phillip K. Rice; Melissa L. Golden; James B. Graham; Tosha M. Barclay; A. W. Cordes","Characteristics of Five-Coordinate Nickel-Cysteine Centers","Inorganic Chemistry","1999","38","","5690","5694","10.1021/ic990059a","","","0.7107","MolybdenumKα","","0.064","0.063","","0.067","0.067","","","","","1.06","1.06","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322501","11.3256","0.001","20.735","0.003","13.5741","0.0015","90","","91.086","0.008","90","","3187.1","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H68 Fe Na3 O10 -","- C72 H66 Fe Na3 O10 -","- C144 H132 Fe2 Na6 O20 -","2","1","","Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor","Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates","Inorganic Chemistry","1999","38","","5698","5702","10.1021/ic990414x","","","0.71073","MoKα","","0.1007","0.0505","","","0.1095","0.1243","","","","","","0.942","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322576","10.27","0.002","15.014","0.003","39.908","0.008","90","","96.23","0.03","90","","6117","2","173","0.1","173","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H48 B2 F8 Fe O P4 -","- C21 H48 B2 F8 Fe O P4 -","- C168 H384 B16 F64 Fe8 O8 P32 -","8","4","","Shaun E. Landau; Robert H. Morris; Alan J. Lough","Acidic Dicationic Iron(II) Dihydrogen Complexes and Compounds Related by H2 Substitution","Inorganic Chemistry","1999","38","","6060","6068","10.1021/ic990876a","","","0.71073","MoKα","","0.0716","0.0608","","","0.1485","0.156","","","","","","1.063","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322739","6.577","0.001","13.269","0.002","9.686","0.002","90","","105","0.02","90","","816.5","0.3","296","","296.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl2 N3 O2 Re -","- C14 H16 Cl2 N3 O2 Re -","- C28 H32 Cl4 N6 O4 Re2 -","2","1","","J. Mattheus Botha; Keisuke Umakoshi; Yoichi Sasaki; Gert J. Lamprecht","Chelation Processes to an Oxorhenium(V) Center by N,N,N,O-Tetradentate and N,N,O-Tridentate Ligands As Verified by Structural and Mechanistic Studies of Intermediate Species","Inorganic Chemistry","1998","37","","1609","1615","10.1021/ic971477n","","","0.71069","MoKα","","","0.0277","","","0.0211","","","","","1.537","1.537","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322763","8.613","0.002","21.714","0.004","15.87","0.004","90","","91.02","0.02","90","","2967.6","1.2","293","2","293","2","","","","","","","Synthetic route","5","P 1 21 1","P 2yb","4","","","","- C30 H44 N4 Ni O3 -","- C30 H38 N4 Ni O3 -","- C120 H152 N16 Ni4 O12 -","4","2","","Géraldine Lenoble; Pascal G. Lacroix; Jean-Claude Daran; Santo Di Bella; Keitaro Nakatani","Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation","Inorganic Chemistry","1998","37","","2158","2165","10.1021/ic970481w","","","0.71073","MoKα","","","0.0405","","","0.0444","","","","","1.0117","1.0117","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322777","10.993","0.002","19.66","0.01","15.145","0.007","90","","95.66","0.06","90","","3257","2","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H46 As N4 O6 Se6 -","- C20 H46 As N4 O6 Se6 -","- C80 H184 As4 N16 O24 Se24 -","4","2","","Donna M. Smith; Michael A. Pell; James A. Ibers","Se22-, Se52-, and Se72- Ligands in [NEt4]2[As2Se6], [enH][AsSe6].2.2.2-cryptand, [NEt4][AsSe8], and [(en)2In(SeAs(Se)Se2)].en","Inorganic Chemistry","1998","37","","2340","2343","10.1021/ic971181h","","","1.54056","","","0.0512","0.049","","0.1361","0.1353","","","","2.285","2.319","2.319","","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4322848","9.1237","0.0008","5.5531","0.0014","12.439","0.001","90","","91.182","0.008","90","","630.09","0.18","298","2","298","2","","","","","","","From silver(I) p-toluene sulfonate and pyridine in ethanol","6","P 1 21 1","P 2yb","4","silver(I) p-toluenesulfonate:pyridine adduct","Silver(I) p-toluenesulfonate: pyridine (1:1)","","- C12 H12 Ag N O3 S -","- C12 H12 Ag N O3 S -","- C24 H24 Ag2 N2 O6 S2 -","2","1","","Graham Smith; Brett A. Cloutt; Daniel E. Lynch; Karl A. Byriel; Colin H. L. Kennard","Nitrogen Base Adducts with Silver(I) p-Toluenesulfonate: Syntheses and Single Crystal X-ray Characterizations of the Adducts with Pyridine (1:1), 2-Aminopyridine (1:2), 2-Aminopyrimidine (1:1), 4,6-Dimethyl-2-aminopyrimidine (2:3), and 3-Aminobenzoic Acid (1:2) and the Crystal Structure of the Parent Silver(I) p-Toluenesulfonate","Inorganic Chemistry","1998","37","","3236","3242","10.1021/ic9706461","","","0.71073","MoKα","","0.02","0.0173","","0.0455","0.0442","","","","1.042","1.05","1.05","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4323043","6.7756","0.0005","4.9147","0.0007","8.4539","0.0008","90","","91.092","0.007","90","","281.46","0.05","298","","298","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- H6 N O6 P V -","- H6 N O6 P V -","- H12 N2 O12 P2 V2 -","2","1","","Zsolt Bircsk; William T. A. Harrison","NH4VOPO4.H2O, a New One-Dimensional Ammonium Vanadium(IV) Phosphate Hydrate","Inorganic Chemistry","1998","37","","5387","5389","10.1021/ic971481z","","","0.71073","MoKα","","","0.0305","","","0.0396","","","","","1.7323","1.7323","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4323051","9.748","0.012","26.05","0.03","12.5","0.02","90","","107.5","0.02","90","","3027","7","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H82 Fe3 O12 -","- C60 H82 Fe3 O12 -","- C120 H164 Fe6 O24 -","2","1","","Umberto Piarulli; Carlo Floriani; Nazzareno Re; Giuliana Gervasio; Davide Viterbo","Diacetoneglucose Complexes of Manganese(II) and Iron(II) and Their Organometallic Derivatization","Inorganic Chemistry","1998","37","","5142","5148","10.1021/ic980301y","","","0.71073","MoKα","","0.1181","0.0631","","0.0998","","0.0719","","","","","","1.11","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323052","10.289","0.005","20.878","0.005","14.015","0.005","90","","93.18","0.02","90","","3006","2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H82 Mn3 O12 -","- C60 H82 Mn3 O12 -","- C120 H164 Mn6 O24 -","2","1","","Umberto Piarulli; Carlo Floriani; Nazzareno Re; Giuliana Gervasio; Davide Viterbo","Diacetoneglucose Complexes of Manganese(II) and Iron(II) and Their Organometallic Derivatization","Inorganic Chemistry","1998","37","","5142","5148","10.1021/ic980301y","","","0.71073","MoKα","","0.1044","0.057","","0.0679","","0.056","","","","","","1.06","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323132","8.374","0.002","12.811","0.004","8.407","0.003","90","","106.19","0.03","90","","866.1","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H15 Na Ni4 O22 P4 -","- Na Ni4 O22 P4 -","- Na2 Ni8 O44 P8 -","2","1","","Nobuaki Hamanaka; Hideo Imoto","Syntheses, Structures, and Magnetic Properties of Metal(II) Phosphates with M(OH)(PO4)2- Layers (M = Ni, Co, Mg)","Inorganic Chemistry","1998","37","","5844","5850","10.1021/ic980595n","","","0.7107","Mo_Kα","","0.0854","0.0688","","0.0935","0.0865","","","","1.248","1.306","1.306","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323163","14.75","0.003","14.846","0.006","17.382","0.002","90","","103.452","0.011","90","","3701.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H39 Cu N2 O5 P2 -","- C42 H38 Cu N2 O5 P2 -","- C168 H152 Cu4 N8 O20 P8 -","4","2","","Donald J. Darensbourg; David L. Larkins; Joseph H. Reibenspies","Bis(triphenylphosphine)copper(I) Complexes of Orotate and l-Dihydroorotate","Inorganic Chemistry","1998","37","","6125","6128","10.1021/ic980464m","","","0.71073","MoKα","","0.0807","0.0575","","0.1641","0.143","","","","1.017","1.025","1.025","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323164","10.088","0.002","14.727","0.003","12.562","0.003","90","","100.34","0.03","90","","1836","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H47 Cu N2 O5 P2 -","- C42 H33 Cu N2 O5 P2 -","- C84 H66 Cu2 N4 O10 P4 -","2","1","","Donald J. Darensbourg; David L. Larkins; Joseph H. Reibenspies","Bis(triphenylphosphine)copper(I) Complexes of Orotate and l-Dihydroorotate","Inorganic Chemistry","1998","37","","6125","6128","10.1021/ic980464m","","","1.54178","CuKα","","0.2836","0.0947","","0.2518","0.2064","","","","0.968","1.681","1.681","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323188","12.399","0.001","22.229","0.002","13.275","0.001","90","","111.208","0.006","90","","3411","0.5","183","","183","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H74 Cl2 F12 O4 Ti2 -","- C70 H58 Cl2 F12 O4 Ti2 -","- C140 H116 Cl4 F24 O8 Ti4 -","2","1","","David L. Clark; Damon R. Click; Steven K. Grumbine; Brian L. Scott; John G. Watkin","Mono(pentamethylcyclopentadienyl)titanium and -zirconium Complexes Supported by Chiral Diolate Ligands. X-ray Crystal Structures of [(η-C5Me5)TiCl(μ-η1,η1-2-CF3-dpbd)]2 and [HNEt3][(η-C5Me5)2Zr2Cl2(μ-Cl)(μ-η1,η2-3,5-Me2-dpbd)2]","Inorganic Chemistry","1998","37","","6237","6243","10.1021/ic980645o","","","0.71073","MoKα","","0.1094","0.0671","","0.1877","0.1607","","","","1.033","1.089","1.089","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323199","12.933","0.002","17.598","0.003","16.996","0.003","90","","107.69","0.01","90","","3685.3","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","ArpyNi","","","- C71 H77 N13 Ni O16 -","- C71 H55 N13 Ni O16 -","- C142 H110 N26 Ni2 O32 -","2","1","","Philippe Richard; Eric Rose; Bernard Boitrel","Characterization and Crystal Structure of a Chiral Ruffled Basket-Handle Porphyrin","Inorganic Chemistry","1998","37","","6532","6534","10.1021/ic980499m","","","0.71073","MoKα","","0.0755","0.0575","","0.1708","0.1567","","","","1.112","1.12","1.12","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323207","5.985","0.003","12.476","0.003","11.876","0.003","90","","94.09","0.04","90","","884.5","0.5","23","","23","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Fe Ni P S2 -","- C36 Fe2 Ni2 P2 S4 -","- C36 Fe2 Ni2 P2 S4 -","","","","Shin Takemoto; Shigeki Kuwata; Yoshiaki Nishibayashi; Masanobu Hidai","Synthesis of Heterobimetallic Fe-M (M = Ni, Pd, Pt) Complexes Containing the 1,1'-Ferrocenedithiolato Ligand and Their Conversion to Trinuclear Complexes","Inorganic Chemistry","1998","37","","6428","6434","10.1021/ic9806129","","","0.7107","MoKalpha","","","0.03","","","0.021","","","","","1.85","1.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323269","18.077","0.004","13.904","0.004","20.516","0.005","90","","96.98","0.02","90","","5118","2","296.2","","296.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H72 Li N4 S2 Sm -","- C48 H72 Li N4 S2 Sm -","- C192 H288 Li4 N16 S8 Sm4 -","4","2","","Hiroyasu Sugiyama; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Synthesis of Alkynechalcogenolato Complexes of Titanocene(IV) and Samarocene(III) and Formation of a Ti2Ni Trinuclear Cluster [Cp2Ti(μ-SC\τbCPh)2]2Ni","Inorganic Chemistry","1998","37","","6773","6779","10.1021/ic980901x","","","0.7107","MoKα","","0","0","","","0","0.042","","","","","","1.8","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323372","10.841","0.003","13.668","0.002","22.33","0.003","90","","103.09","0.01","90","","3222.8","1.1","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","[SP-4-4-[(R~C~),(R~P~,R~P~)]]-bis[1-[1-dimethylamino)ethyl]-2-phenyl- C^2^,N](1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane- P,P,P,P)dipalladium(II) hexafluorophosphate","","- C62 H70 F12 N2 P6 Pd2 -","- C62 H70 F12 N2 P6 Pd2 -","- C124 H140 F24 N4 P12 Pd4 -","2","1","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","0.71069","MoKα","","0.054","0.036","","0.039","0.034","","","","2.01","2.043","2.043","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323379","6.65","0.004","7.313","0.002","14.687","0.009","90","","101.62","0.03","90","","699.6","0.6","291","","291","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-phenyl,1-sulfido(1-phospha-4,7-dithiacyclononane)","","- C12 H17 P S3 -","- C12 H17 P S3 -","- C24 H34 P2 S6 -","2","1","","Philip J. Blower; John C. Jeffery; John R. Miller; Spencer N. Salek; Dirk Schmaljohann; Raymond J. Smith; Michael J. Went","Template Synthesis and Reactions of Tricarbonylmolybdenum Phosphadithiamacrocycle Complexes","Inorganic Chemistry","1997","36","","1578","1582","10.1021/ic961143i","","","0.71073","Mo-Kα","","0.077","0.07","","","0.096","","","","","3.857","3.857","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323448","10.539","0.005","16.216","0.009","11.011","0.008","90","","106.04","0.02","90","","1808.5","1.9","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H43 F6 P3 Ru S -","- C37 H43 F6 P3 Ru S -","- C74 H86 F12 P6 Ru2 S2 -","2","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.71073","MoKα","","0.0379","0.0376","","0.0992","0.0983","","","","1.101","1.094","1.094","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323500","12.324","0.002","10.934","0.002","13.334","0.003","90","","91.19","0.03","90","","1796.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Catena-[Tetra(pentafluorophenoxy)bismuth]Sodium","","- C28 H8 Bi F20 Na O5 -","- C28 H8 Bi F20 Na O5 -","- C56 H16 Bi2 F40 Na2 O10 -","2","1","","Jennifer L. Jolas; Silke Hoppe; Kenton H. Whitmire","Oligomerization and Oxide Formation in Bismuth Aryloxides: Synthesis, Characterization, and Structures of [NaBi(OC6F5)4(THF)]∞and Na4Bi2(μ6-O)(OC6F5)8(THF)4","Inorganic Chemistry","1997","36","","3335","3340","10.1021/ic961481j","","","0.71069","MoKα","","0.0727","0.058","","0.1821","0.1558","","","","1.016","1.014","1.014","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323522","11.976","0.002","11.745","0.002","16.646","0.002","90","","110.05","0.01","90","","2199.5","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H32 N2 O6 W -","- C18 H32 N2 O6 W -","- C72 H128 N8 O24 W4 -","4","2","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","1.54178","CuKα","","0.0737","0.0582","","0.1808","0.1368","","","","1.1","0.926","0.926","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323525","11.922","0.004","26.592","0.01","13.511","0.005","90","","93.05","0.03","90","","4277","3","294","2","294","2","","","","","","","Brown synthesis","7","P 1 21 1","P 2yb","4","Aqua 10-chlorocobalamin perchlorate solvate","Aqua 10-chlorocobalamin perchlorate solvate","","- C68 H123 Cl2 Co N13 O32 P -","- C68 H104 Cl2 Co N13 O31.4 P -","- C136 H208 Cl4 Co2 N26 O62.8 P2 -","2","1","","Kenneth L. Brown; Shifa Cheng; Xiang Zou; Jeffrey D. Zubkowski; Edward J. Valente; Leanne Knapton; Helder M. Marques","Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin","Inorganic Chemistry","1997","36","","3666","3675","10.1021/ic9615077","","","0.71073","MoKα","","0.0708","0.0426","","0.105","0.0887","","","","0.736","0.966","0.966","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323617","10.7687","0.0002","21.032","0.0002","8.5936","0.0002","90","","102.683","0.001","90","","1898.85","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H46 Cl2 N6 O3 Ru -","- C37 H46 Cl2 N6 O3 Ru -","- C74 H92 Cl4 N12 O6 Ru2 -","2","1","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0996","0.0623","","0.1102","0.0981","","","","1.023","1.091","1.091","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323618","10.8474","0.0007","21.0021","0.0013","8.3646","0.0005","90","","103.571","0.001","90","","1852.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N5 O3 Ru -","- C38 H50 N5 O3 Ru -","- C76 H100 N10 O6 Ru2 -","2","1","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0997","0.0674","","0.1539","0.1384","","","","1.033","1.097","1.097","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323710","8.796","0.002","14.508","0.003","10.097","0.002","90","","96.49","0.03","90","","1280.2","0.5","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","HF-[3.1.1]-cryptand x NaCF3SO3","","- C24 H31 Cl F N2 Na O7 -","- C24 H31 Cl F N2 Na O7 -","- C48 H62 Cl2 F2 N4 Na2 O14 -","2","1","","Herbert Plenio; Jörg Hermann; Ralph Diodone","The Coordination Chemistry of Fluorocarbons: Difluoro-m-cyclophane-Based Fluorocryptands and Their Group I and II Metal Ion Complexes","Inorganic Chemistry","1997","36","","5722","5729","10.1021/ic9708069","","","0.71069","MoKα","","0.0732","0.0722","","","0.1931","0.1945","","","","","","1.063","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323721","12.71","0.003","23.251","0.003","18.702","0.004","90","","101.16","0.02","90","","5422.3","1.9","183","2","190","2","","","","","","","CH2Cl2","8","P 1 21 1","P 2yb","4","","","","- C88 H85 B2 Cl4 Co3 F48 N9 O4 -","- C88 H85 B2 Cl4 Co3 F48 N9 O4 -","- C176 H170 B4 Cl8 Co6 F96 N18 O8 -","2","1","","Randolf D. Köhn; Matthias Haufe; Gabriele Kociok-Köhn; Alexander C. Filippou","The Chemistry of 1,3,5-Triazacyclohexane Complexes. 6.1Synthesis and Characterization of the Cobalt(II) Methoxide Core {Co3(OMe)4}2+","Inorganic Chemistry","1997","36","","6064","6069","10.1021/ic9704593","","","0.71073","MoKα","","0.1024","0.0715","","0.2071","0.184","","","","1.03","1.131","1.131","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323923","9.959","0.001","20.1","0.001","11.678","0.001","90","","107.61","","90","","2228.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H48 N12 O16 Rh2 -","- C36 H45 N12 O16 Rh2 -","- C72 H90 N24 O32 Rh4 -","2","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0367","0.0306","","0.0768","0.074","","","","1.066","1.077","1.077","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323925","11.589","0.001","12.225","0.001","21.802","0.002","90","","94.429","0.008","90","","3079.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H66 N10 O16 Rh2 -","- C60 H66 N10 O16 Rh2 -","- C120 H132 N20 O32 Rh4 -","2","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0763","0.0455","","0.0772","0.069","","","","1.004","1.045","1.045","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323928","10.371","0.002","19.599","0.004","12.363","0.002","90","","109.56","0.03","90","","2367.9","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe((DMG)BPh2)2(TCNE)(PY)].2CH2Cl2","mono(pyridine)mono(tetracyanoethene)bis(dimethylglyoximato(diphenyborato) )iron(II)","","- C45 H41 B2 Cl4 Fe N9 O4 -","- C45 H41 B2 Cl4 Fe N9 O4 -","- C90 H82 B4 Cl8 Fe2 N18 O8 -","2","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0669","0.0424","","0.0906","0.0839","","","","0.929","1.042","1.042","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323944","9.288","0.002","18.356","0.004","15.566","0.002","90","","90.278","0.015","90","","2653.8","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H36 N3 Sb -","- C27 H36 N3 Sb -","- C108 H144 N12 Sb4 -","4","2","","Smuruthi Kamepalli; Claire J. Carmalt; Robert D. Culp; Alan H. Cowley; Richard A. Jones; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Aryl Group 15 Compounds","Inorganic Chemistry","1996","35","","6179","6183","10.1021/ic960516c","","","0.71073","MoKα","","0.1237","0.052","","0.1247","0.0906","","","","1.033","1.141","1.141","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323945","9.2996","0.0012","18.445","0.003","15.601","0.002","90","","90.076","0.011","90","","2676.1","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H36 Bi N3 -","- C27 H36 Bi N3 -","- C108 H144 Bi4 N12 -","4","2","","Smuruthi Kamepalli; Claire J. Carmalt; Robert D. Culp; Alan H. Cowley; Richard A. Jones; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Aryl Group 15 Compounds","Inorganic Chemistry","1996","35","","6179","6183","10.1021/ic960516c","","","0.71073","MoKα","","0.1492","0.0783","","0.2132","0.1716","","","","1.081","1.209","1.209","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324057","11.086","0.002","15.269","0.001","12.133","0.001","90","","93.51","0.01","90","","2049.9","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H32 B2 Cl2 N20 O3 Re2 -","- C31 H30 B2 Cl2 N20 O3 Re2 -","- C62 H60 B4 Cl4 N40 O6 Re4 -","2","1","","António Paulo; Ângela Domingos; Isabel Santos","Coordination of Tetrakis(pyrazolyl)borate in Rhenium Complexes Containing the [ReVO]3+ Core","Inorganic Chemistry","1996","35","","1798","1807","10.1021/ic950972l","","","0.71069","MoKα","","0.0371","0.0299","","0.0843","0.0741","","","","1.074","1.066","1.066","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324135","12.6057","0.0006","20.2225","0.001","16.4417","0.0008","90","","90.328","0.001","90","","4191.2","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C91 H57 Cl2 F20 P5 Pd Pt2 -","- C91 H57 Cl2 F20 P5 Pd Pt2 -","- C182 H114 Cl4 F40 P10 Pd2 Pt4 -","2","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0869","0.0729","","","0.1724","0.1831","","","","","","1.006","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324269","19.1503","0.0004","19.7093","0.0004","26.1294","0.0006","90","","111.494","0.001","90","","9176.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H200 Dy Mn21 N3 O86 -","- C104 H184 Dy Mn21 N3 O87 -","- C208 H368 Dy2 Mn42 N6 O174 -","2","1","","Constantina Papatriantafyllopoulou; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Mn21Dy Cluster with a Record Magnetization Reversal Barrier for a Mixed 3d/4f Single-Molecule Magnet","Inorganic Chemistry","2011","50","","421","423","10.1021/ic102378u","","","0.71073","MoKα","","0.1151","0.0518","","","0.0816","0.0924","","","","","","0.791","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324419","5.3471","0.0003","35.9423","0.0011","8.7245","0.0004","90","","106.483","0.002","90","","1607.83","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H21 O8 P S Sn -","- C9 H21 O8 P S Sn -","- C36 H84 O32 P4 S4 Sn4 -","4","2","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0572","0.0453","","","0.1009","0.107","","","","","","1.042","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324429","8.3212","0.0003","12.8894","0.0008","9.5294","0.0003","90","","100.849","0.002","90","","1003.81","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl2 P Pt Se -","- C20 H19 Cl2 P Pt Se -","- C40 H38 Cl4 P2 Pt2 Se2 -","2","1","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","1.54178","CuKα","","0.0329","0.0328","","","0.0804","0.0805","","","","","","1.066","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324441","3.6562","0.0003","8.1552","0.0008","13.9458","0.0011","90","","95.919","0.008","90","","413.61","0.06","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","guanidinium 2-methyl-5-nitriminotetrazolate","guanidinium 2-methyl-5-nitriminotetrazolate","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C6 H18 N18 O4 -","2","1","","Tobias Fendt; Thomas M. Klapötke","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0547","0.0371","","","0.0726","0.0767","","","","","","0.915","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324458","10.1559","0.0005","16.5857","0.0008","10.8949","0.0006","90","","106.383","0.002","90","","1760.65","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 B N -","- C22 H24 B N -","- C88 H96 B4 N4 -","4","2","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0548","0.046","","","0.1114","0.1166","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324520","10.371","0.002","19.001","0.004","15.118","0.003","90","","96.642","0.007","90","","2959.1","1","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H41 F Li N5 O -","- C31 H41 F Li N5 O -","- C124 H164 F4 Li4 N20 O4 -","4","2","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.2428","0.085","","","0.1588","0.2283","","","","","","0.952","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324556","6.611","0.004","9.95","0.005","13.216","0.007","90","","90.38","0.007","90","","869.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 Ge O9 Rb2 -","- B4 Ge O9 Rb2 -","- B16 Ge4 O36 Rb8 -","4","2","","Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","1973","1982","10.1021/ic102451n","","","0.71073","MoKα","","0.0677","0.0537","","","0.0992","0.1054","","","","","","1.006","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324599","9.707","0.0004","36.8631","0.0015","9.7894","0.0004","90","","101.05","0.002","90","","3438","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34.5 H44 Fe N2 O4 Sn -","- C34.5 H44 Fe N2 O4 Sn -","- C138 H176 Fe4 N8 O16 Sn4 -","4","2","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.1253","0.0576","","","0.0922","0.1102","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324633","9.789","0.003","24.528","0.008","16.262","0.005","90","","106.721","0.005","90","","3739","2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H49 N5 Ni O3 -","- C41 H49 N5 Ni O3 -","- C164 H196 N20 Ni4 O12 -","4","2","","Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao","Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation","Inorganic Chemistry","2011","50","","2191","2198","10.1021/ic102181h","","","0.71073","MoKα","","0.089","0.0524","","","0.0989","0.1164","","","","","","0.992","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324728","8.5157","0.0002","12.6961","0.0004","11.001","0.0003","90","","99.679","0.001","90","","1172.46","0.06","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","N,N',N'-tris(trimethylsilyl)hydrazino-methyl(chloro)phosphane Galliumtrichloride addukt","","- C10 H30 Cl4 Ga N2 P Si3 -","- C10 H30 Cl4 Ga N2 P Si3 -","- C20 H60 Cl8 Ga2 N4 P2 Si6 -","2","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.0192","0.0177","","","0.0459","0.0464","","","","","","1.014","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324746","7.4258","0.0007","28.522","0.003","10.8529","0.001","90","","100.61","0.0013","90","","2259.3","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H53 N19 O31 Pb2 -","- C18 H53 N19 O31 Pb2 -","- C36 H106 N38 O62 Pb4 -","2","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0234","0.0218","","","0.0465","0.047","","","","","","0.968","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324762","15.7617","0.0004","11.4631","0.0003","19.3934","0.0005","90","","91.829","0.001","90","","3502.17","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H49 Fe N5 -","- C38 H49 Fe N5 -","- C152 H196 Fe4 N20 -","4","2","","Sarah K. Russell; Carsten Milsmann; Emil Lobkovsky; Thomas Weyhermüller; Paul J. Chirik","Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation","Inorganic Chemistry","2011","50","","3159","3169","10.1021/ic102186q","","","0.71073","MoKα","","0.0404","0.0319","","","0.0764","0.0807","","","","","","1.02","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324782","10.6139","0.0008","26.9865","0.0019","11.2087","0.0008","90","","99.814","0.004","90","","3163.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27.94 H44 Cl N O4 Zr -","- C27.94 H44 Cl N O4 Zr -","- C111.76 H176 Cl4 N4 O16 Zr4 -","4","2","","Tanmoy Kumar Saha; Venkatachalam Ramkumar; Debashis Chakraborty","Salen Complexes of Zirconium and Hafnium: Synthesis, Structural Characterization, Controlled Hydrolysis, and Solvent-Free Ring-Opening Polymerization of Cyclic Esters and Lactides","Inorganic Chemistry","2011","50","","2720","2722","10.1021/ic1025262","","","0.71073","MoKα","","0.1162","0.0881","","","0.2212","0.2373","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324788","9.106","0.002","4.7383","0.0014","10.307","0.003","90","","115.677","0.015","90","","400.8","0.19","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-{[(oxo-λ^4^-sulfanylidene)amino]sulfanyl}aniline","","- C6 H6 N2 O S2 -","- C6 H6 N2 O S2 -","- C12 H12 N4 O2 S4 -","2","1","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0573","0.0437","","","0.101","0.1132","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324811","18.0923","0.0007","7.0254","0.0003","26.498","0.0011","90","","104.031","0.001","90","","3267.6","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 10","","","- C24.5 H40.5 Cl2 F2 N7.5 O7.5 Pt -","- C24.5 H40.5 Cl2 F2 N7.5 O7.5 Pt -","- C98 H162 Cl8 F8 N30 O30 Pt4 -","4","2","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0283","0.0227","","","0.0508","0.057","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324917","9.8857","0.0007","15.837","0.001","19.114","0.001","90","","97.081","0.002","90","","2969.7","0.3","100","0.2","100","0.2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N4 O11.5 Zn -","- C26 H41 N4 O11.5 Zn -","- C104 H164 N16 O46 Zn4 -","4","2","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Showing Extremely High Sr(II)/Ca(II) and Pb(II)/Ca(II) Selectivities with Potential Application in Chelation Treatment of Metal Intoxication","Inorganic Chemistry","2011","50","","3772","3784","10.1021/ic200182e","","x-ray","0.71073","MoKα","","0.0382","0.0321","","","0.0759","0.079","","","","","","1.04","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324956","8.282","0.003","13.35","0.004","11.66","0.004","90","","95.55","0.02","90","","1283.1","0.7","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H34 B2 Cu F8 N6 O -","- C19 H30 B2 Cu F8 N6 O -","- C38 H60 B4 Cu2 F16 N12 O2 -","2","1","","Abir El Majzoub; Cyril Cadiou; Isabelle Déchamps-Olivier; Bernard Tinant; Françoise Chuburu","Cyclam-methylbenzimidazole: a Selective OFF-ON Fluorescent Sensor for Zinc","Inorganic Chemistry","2011","50","","4029","4038","10.1021/ic102521g","","","0.71069","MoKα","","0.0879","0.0836","","","0.1943","0.1983","","","","","","0.352","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324958","10.5591","0.0002","10.3507","0.0002","24.2916","0.0005","90","","93.3972","0.0019","90","","2650.26","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Co2 N4 O22 S12 -","- C38 H36 Co2 N4 O22 S12 -","- C76 H72 Co4 N8 O44 S24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.0607","0.0511","","","0.1134","0.1158","","","","","","0.984","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324960","16.4999","0.0008","10.7581","0.0004","18.9837","0.0009","90","","102.388","0.002","90","","3291.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H74 Cr4 N8 O45 -","- C40 H48 Cr4 N8 O45 -","- C80 H96 Cr8 N16 O90 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1383","0.0778","","","0.177","0.2084","","","","","","1.039","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324961","10.3219","0.0005","24.9435","0.0011","10.7594","0.0005","90","","90.399","0.003","90","","2770.1","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Co2 N4 O22 Se12 -","- C38 H36 Co2 N4 O22 Se12 -","- C76 H72 Co4 N8 O44 Se24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1059","0.0731","","","0.1648","0.1847","","","","","","1.04","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324962","10.9413","0.0005","10.4374","0.0004","25.0015","0.0011","90","","94.188","0.002","90","","2847.5","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Fe2 N4 O22 Se12 -","- C38 H36 Fe2 N4 O22 Se12 -","- C76 H72 Fe4 N8 O44 Se24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1506","0.0876","","","0.1619","0.1889","","","","","","1.043","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324963","10.8846","0.0005","10.3773","0.0005","25.0263","0.001","90","","94.094","0.003","90","","2819.6","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Cr2 N4 O22 Se12 -","- C38 H36 Cr2 N4 O22 Se12 -","- C76 H72 Cr4 N8 O44 Se24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1383","0.095","","","0.1884","0.2145","","","","","","1.081","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324971","5.8342","0.0004","10.4766","0.0007","10.5591","0.0007","90","","96.879","0.002","90","","640.75","0.07","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H22 B10 O -","- C4 H22 B10 O -","- C8 H44 B20 O2 -","2","1","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.0361","0.0346","","","0.0929","0.0937","","","","","","1.113","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325005","12.2405","0.001","6.6058","0.0005","31.33","0.003","90","","99.54","0.001","90","","2498.3","0.4","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B10 N2 O2 -","- C22 H30 B10 N2 O2 -","- C88 H120 B40 N8 O8 -","4","2","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.0504","0.0402","","","0.0939","0.0999","","","","","","1.012","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325013","6.3908","0.0004","13.9355","0.0005","23.4274","0.0006","90","","90.623","0.005","90","","2086.3","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl S8 -","- C18 H16 Cl S8 -","- C72 H64 Cl4 S32 -","4","2","","Marc Fourmigué; Eric W. Reinheimer; Ali Assaf; Olivier Jeannin; Ali Saad; Pascale Auban-Senzier; Pere Alemany; Antonio Rodríguez-Fortea; Enric Canadell","Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets","Inorganic Chemistry","2011","50","","4171","4181","10.1021/ic2002964","","","0.71073","MoKα","","0.0497","0.034","","","0.0684","0.0742","","","","","","1.087","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325090","15.69","0.003","13.955","0.003","21.083","0.005","90","","111.454","0.003","90","","4296.4","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H84 N18 O19 Zn3 -","- C78 H84 N18 O19 Zn3 -","- C156 H168 N36 O38 Zn6 -","2","1","","I. Ravikumar; Pradyut Ghosh","Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions","Inorganic Chemistry","2011","50","","4229","4231","10.1021/ic200314t","","","0.71073","MoKα","","0.0599","0.0408","","","0.0829","0.0911","","","","","","0.955","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325160","16.948","0.003","11.7427","0.0016","20.249","0.003","90","","114.88","0.003","90","","3655.9","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25.5 H32.25 N5.5 O8.13 Ru S -","- C25.5 H26 N5.5 O8 Ru S -","- C102 H104 N22 O32 Ru4 S4 -","4","2","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.1993","0.1089","","","0.2448","0.2864","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325255","13.374","0.0004","25.7135","0.0006","14.7678","0.0005","90","","106.709","0.003","90","","4864.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H78 N2 S15 Zn8 -","- C94 H78 N2 S15 Zn8 -","- C188 H156 N4 S30 Zn16 -","2","1","","Ziyi Chen; Daibing Luo; Maoping Kang; Zhien Lin","New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains","Inorganic Chemistry","2011","50","","4674","4676","10.1021/ic2004003","","","0.71073","MoKα","","0.1346","0.0794","","","0.1787","0.2107","","","","","","1.022","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325257","13.3685","0.0004","25.7159","0.0006","14.7774","0.0006","90","","106.772","0.004","90","","4864.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H78 N2 S15 Zn8 -","- C94 N2 S15 Zn8 -","- C188 N4 S30 Zn16 -","2","1","","Ziyi Chen; Daibing Luo; Maoping Kang; Zhien Lin","New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains","Inorganic Chemistry","2011","50","","4674","4676","10.1021/ic2004003","","","0.71073","MoKα","","0.1081","0.0678","","","0.1582","0.1833","","","","","","1.019","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325258","8.3435","0.0003","15.097","0.0005","8.7707","0.0003","90","","99.007","0.002","90","","1091.15","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Mo N4 O3 -","- C23 H26 Mo N4 O3 -","- C46 H52 Mo2 N8 O6 -","2","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0204","0.0198","","","0.0462","0.0464","","","","","","1.016","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325262","13.1291","0.0003","14.0587","0.0003","13.2317","0.0003","90","","92.302","0.001","90","","2440.31","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H26 F6 Mo N5 O2 P -","- C21 H26 F6 Mo N5 O2 P -","- C84 H104 F24 Mo4 N20 O8 P4 -","4","2","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0336","0.0321","","","0.0783","0.079","","","","","","1.029","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325286","5.1809","0.0004","8.3238","0.0007","7.1541","0.0006","90","","98.413","0.001","90","","305.2","0.04","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Mo O7 Se Zn2 -","- Mo O7 Se Zn2 -","- Mo2 O14 Se2 Zn4 -","2","1","","Sau Doan Nguyen; Sang-Hwan Kim; P. Shiv Halasyamani","Synthesis, Characterization, and Structure-Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)","Inorganic Chemistry","2011","50","","5215","5222","10.1021/ic200511q","","","0.71073","MoKα","","0.0182","0.0179","","","0.0435","0.0437","","","","","","1.075","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325287","5.178","0.004","8.409","0.006","7.241","0.005","90","","99.351","0.008","90","","311.1","0.4","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Mo O7 Te Zn2 -","- Mo O7 Te Zn2 -","- Mo2 O14 Te2 Zn4 -","2","1","","Sau Doan Nguyen; Sang-Hwan Kim; P. Shiv Halasyamani","Synthesis, Characterization, and Structure-Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)","Inorganic Chemistry","2011","50","","5215","5222","10.1021/ic200511q","","","0.71073","MoKα","","0.0212","0.0209","","","0.0541","0.0542","","","","","","1.099","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325398","7.78","0.001","5.723","0.005","14.27","0.009","90","","95.05","0.02","90","","632.9","0.7","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C36 H28 N4 -","2","1","","Sumanta Kumar Padhi; Katsuaki Kobayashi; Shinya Masuno; Koji Tanaka","Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote n-Heterocyclic Carbene) Tautomers with an NAD+/NADH Function","Inorganic Chemistry","2011","50","","5321","5323","10.1021/ic200315f","","","0.7107","MoKα","","0.0562","0.0561","","","0.1248","0.1248","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325427","9.478","0.004","20.23","0.009","10.652","0.005","90","","96.111","0.009","90","","2030.8","1.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H26 As2 Mn3 O S7 n6 -","- C36 H26 As2 Mn3 N6 O S7 -","- C72 H52 As4 Mn6 N12 O2 S14 -","2","1","","Guang-Ning Liu; Xiao-Ming Jiang; Mei-Feng Wu; Guan-E Wang; Guo-Cong Guo; Jin-Shun Huang","Stabilization of noncondensed (AsIIIS3)3- Anions by Coordinating to [MnII(phen)]2+ Complex Cations: a Mixed-Valent Thioarsenate (III, V) {[Mn(phen)]3(AsVS4)(AsIIIS3)}n.nH2O Showing the Coexistence of Antiferromagnetic Order, Photoluminescence, and nonlinear Optical Properties","Inorganic Chemistry","2011","50","","5740","5746","10.1021/ic2005562","","","0.71073","MoKα","","0.0419","0.0385","","","0.0829","0.0848","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325455","9.3791","0.0008","14.967","0.0014","10.9142","0.0009","90","","106.91","0.004","90","","1465.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H33 B3 Fe2 O6 Ru2 -","- C26 H33 B3 Fe2 O6 Ru2 -","- C52 H66 B6 Fe4 O12 Ru4 -","2","1","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.014","0.0136","","","0.0341","0.0343","","","","","","1.036","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325463","7.3694","0.0006","19.797","0.003","12.1347","0.0018","90","","102.388","0.012","90","","1729.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35.5 H32.25 Fe N6.75 O6 -","- C35.5 H32.25 Fe N6.75 O6 -","- C71 H64.5 Fe2 N13.5 O12 -","2","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.1659","0.0487","","","0.0833","0.099","","","","","","0.689","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325480","7.497","0.002","16.765","0.005","11.495","0.004","90","","90.351","0.005","90","","1444.7","0.8","300","2","300","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H30 B Cl F4 N8 O2 Ru -","- C22 H30 B Cl F4 N8 O2 Ru -","- C44 H60 B2 Cl2 F8 N16 O4 Ru2 -","2","1","","Isabel Serrano; M. Isabel López; Íngrid Ferrer; Albert Poater; Teodor Parella; Xavier Fontrodona; Miquel Solà; Antoni Llobet; Montserrat Rodríguez; Isabel Romero","New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance","Inorganic Chemistry","2011","50","","6044","6054","10.1021/ic200053f","","","0.71073","MoKα","","0.0504","0.0287","","","0.0719","0.0971","","","","","","1.055","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325481","7.7404","0.0018","17.076","0.004","11.628","0.003","90","","97.103","0.004","90","","1525.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H39 Cl N8 O5 Ru -","- C25 H39 Cl N8 O5 Ru -","- C50 H78 Cl2 N16 O10 Ru2 -","2","1","","Isabel Serrano; M. Isabel López; Íngrid Ferrer; Albert Poater; Teodor Parella; Xavier Fontrodona; Miquel Solà; Antoni Llobet; Montserrat Rodríguez; Isabel Romero","New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance","Inorganic Chemistry","2011","50","","6044","6054","10.1021/ic200053f","","","0.71073","MoKα","","0.0491","0.0374","","","0.0741","0.077","","","","","","1.019","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325556","14.989","0.003","10.953","0.003","17.171","0.004","90","","96.398","0.009","90","","2801.5","1.2","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H63 B2 F8 N9 O4 Pd -","- C54 H63 B2 F8 N9 O4 Pd -","- C108 H126 B4 F16 N18 O8 Pd2 -","2","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71069","MoKα","","0.1111","0.0732","","","0.1731","0.1977","","","","","","1.024","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325714","13.357","0.005","35.402","0.013","14.629","0.006","90","","101.776","0.007","90","","6772","5","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N6 O2 -","- C38 H42 N6 O2 -","- C304 H336 N48 O16 -","8","4","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.1275","0.0563","","","0.1371","0.1755","","","","","","0.978","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325735","11.1838","0.0008","8.8057","0.0008","16.4636","0.0013","90","","97.681","0.007","90","","1606.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 Cu N4 P S -","- C34 H38 Cu N4 P S -","- C68 H76 Cu2 N8 P2 S2 -","2","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1029","0.0451","","","0.0389","0.0453","","","","","","0.687","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325746","13.0365","0.0018","16.629","0.002","13.4697","0.0018","90","","100.572","0.002","90","","2870.4","0.7","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H66 Cl Cs N24 O23 -","- C40 H44 Cl Cs N24 O14 -","- C80 H88 Cl2 Cs2 N48 O28 -","2","1","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0445","0.0402","","","0.1019","0.1044","","","","","","1.052","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325822","8.5221","0.0006","6.4754","0.0004","11.5083","0.0008","90","","108.673","0.002","90","","601.64","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H8 Cu N4 O2 -","- C12 H8 Cu N4 O2 -","- C24 H16 Cu2 N8 O4 -","2","1","","Xiu-Mei Zhang; Yan-Qin Wang; You Song; En-Qing Gao","Synthesis, Structures, and Magnetism of Copper(II) and Manganese(II) Coordination Polymers with Azide and Pyridylbenzoates","Inorganic Chemistry","2011","50","","7284","7294","10.1021/ic2008842","","","0.71073","MoKα","","0.0473","0.0344","","","0.0687","0.0734","","","","","","1.012","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325876","12.9937","0.0007","10.5037","0.0006","13.4237","0.0007","90","","91.495","0.001","90","","1831.47","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 F4 Ir N6 O -","- C36 H34 Cl3 F4 Ir N6 O -","- C72 H68 Cl6 F8 Ir2 N12 O2 -","2","1","","Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager","""Click"" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents","Inorganic Chemistry","2011","50","","7598","7609","10.1021/ic2005985","","","0.71073","MoKα","","0.0186","0.0178","","","0.0441","0.0445","","","","","","1.045","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325911","19.16","0.003","18.454","0.002","19.596","0.003","90","","92.228","0.006","90","","6923.5","1.7","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H70.5 Cu5 N11.5 O25.5 Sm -","- C45 H50 Cu5 N11.5 O19.75 Sm -","- C180 H200 Cu20 N46 O79 Sm4 -","4","2","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.1033","0.0765","","","0.2009","0.2197","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325999","9.4427","0.0008","20.7633","0.0017","10.9105","0.0009","90","","115.444","0.002","90","","1931.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H44 Cl3 Cu N8 O13 -","- C27 H44 Cl3 Cu N8 O13 -","- C54 H88 Cl6 Cu2 N16 O26 -","2","1","","Oindrila Das; Ennio Zangrando; Tapan Kanti Paine","Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction","Inorganic Chemistry","2011","50","","8012","8019","10.1021/ic200261j","","","0.71073","MoKα","","0.0626","0.0481","","","0.1303","0.14","","","","","","1.042","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326011","8.2224","0.001","8.3638","0.0014","15.8628","0.0004","90","","93.905","0.001","90","","1088.4","0.2","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H28 Br2 P4 Pd2 S -","- C10 H28 Br2 P4 Pd2 S -","- C20 H56 Br4 P8 Pd4 S2 -","2","1","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates","Inorganic Chemistry","2011","50","","8094","8105","10.1021/ic200503d","","","0.71069","MoKα","","0.0368","0.0364","","","0.0903","0.0906","","","","","","1.152","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326040","9.3218","0.0002","10.3132","0.0002","11.6323","0.0002","90","","108.441","0.0009","90","","1060.88","0.04","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N3 Pt -","- C26 H18 Cl N3 Pt -","- C52 H36 Cl2 N6 Pt2 -","2","1","","Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo","Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching","Inorganic Chemistry","2011","50","","8261","8273","10.1021/ic200794b","","","0.71073","MoKα","","0.0517","0.0257","","","0.0416","0.0463","","","","","","0.959","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326131","10.645","0.003","32.016","0.008","13.969","0.003","90","","106.057","0.004","90","","4575","2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N6 O3 Re -","- C16 H18 Cl N6 O3 Re -","- C128 H144 Cl8 N48 O24 Re8 -","8","4","","Laura Ion; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Jesús Díaz; Ramón López; Kirsty M. Anderson; Jonathan W. Steed","Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts","Inorganic Chemistry","2011","50","","8524","8531","10.1021/ic201120s","","","0.71073","MoKα","","0.1382","0.0981","","","0.259","0.2866","","","","","","1.021","","","","has coordinates","207199","2020-10-21","18:00:00",""
"4326184","7.6385","0.0005","10.3591","0.001","14.0457","0.0014","90","","98.715","0.008","90","","1098.58","0.17","173","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(3R,4S,5R,9S,10R)-1,1-dibromido-3,10-diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)","","","- C22 H33 Br N2 O2 -","- C22 H33 Br N2 O2 -","- C44 H66 Br2 N4 O4 -","2","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0727","0.0358","","","0.044","0.0469","","","","","","0.689","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326185","7.0576","0.0003","17.9392","0.0006","10.6368","0.0004","90","","101.899","0.004","90","","1317.76","0.09","173","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(3R,4S,5R,8S,9S,10R)-3,10-Diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)","","","- C28 H36 N2 O2 Sn -","- C28 H36 N2 O2 Sn -","- C56 H72 N4 O4 Sn2 -","2","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0213","0.0197","","","0.0472","0.0475","","","","","","0.989","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326274","8.4771","0.0002","26.3184","0.0006","12.1893","0.0003","90","","109.68","","90","","2560.63","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 La2 O51 Sb6 -","- C24 H12 La2 O51 Sb6 -","- C48 H24 La4 O102 Sb12 -","2","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0189","0.0187","","","0.0496","0.0497","","","","","","1.087","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326275","8.475","0.003","26.271","0.008","12.204","0.004","90","","110.32","","90","","2548.1","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 Ce2 O51 Sb6 -","- C24 H12 Ce2 O51 Sb6 -","- C48 H24 Ce4 O102 Sb12 -","2","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0286","0.0269","","","0.0731","0.0747","","","","","","1.034","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326276","8.469","0.002","26.3","0.007","12.198","0.003","90","","110.31","","90","","2548","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 O51 Pr2 Sb6 -","- C24 H12 O51 Pr2 Sb6 -","- C48 H24 O102 Pr4 Sb12 -","2","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0303","0.029","","","0.0745","0.0752","","","","","","1.003","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326332","12.0398","0.0013","22.128","0.002","12.1003","0.0013","90","","104.802","0.002","90","","3116.7","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","jonsk05","[(PONOP)NiCl]2 NiCl4","","- C44 H82 Cl10 N2 Ni3 O4 P4 -","- C44 H82 Cl10 N2 Ni3 O4 P4 -","- C88 H164 Cl20 N4 Ni6 O8 P8 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0928","0.0507","","","0.1066","0.1238","","","","","","1.018","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326335","11.635","0.003","23.104","0.006","17.868","0.004","90","","95.038","0.005","90","","4785","2","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","jonsk45","[(PONOP)PtCl] BPh4.C6H6","","- C51 H65 B Cl N O2 P2 Pt -","- C51 H65 B Cl N O2 P2 Pt -","- C204 H260 B4 Cl4 N4 O8 P8 Pt4 -","4","2","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0949","0.0571","","","0.0955","0.1095","","","","","","1.003","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326344","7.869","0.0012","5.445","0.0011","10.9081","0.0012","90","","108.799","0.014","90","","442.44","0.13","150","1","150","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 N2 -","- C9 H14 N2 -","- C18 H28 N4 -","2","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0575","0.0471","","","0.1131","0.1229","","","","","","1.14","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326375","11.073","0.006","26.684","0.015","11.873","0.007","90","","104.451","0.007","90","","3397","3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H106 N Na3 O8 -","- C65 H106 N Na3 O8 -","- C130 H212 N2 Na6 O16 -","2","1","","Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu","Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex","Inorganic Chemistry","2011","50","","9564","9570","10.1021/ic2013123","","","0.71073","MoKα","","0.3677","0.0742","","","0.1663","0.3245","","","","","","0.782","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326445","10.5855","0.0004","16.8551","0.0005","17.7704","0.0004","90","","104.576","0.003","90","","3068.54","0.17","100.1","","100.1","","","","","","","","","7","P 1 21 1","P 2yb","4","[(2-(diphenylphosphine)thiaphenolato)(m-methylphenylethane -1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate","","","- C64.5 H52 Cl3 F6 P4 Ru S3 -","- C64.5 H52 Cl3 F6 P4 Ru S3 -","- C129 H104 Cl6 F12 P8 Ru2 S6 -","2","1","","Kagna Ouch; Mark S. Mashuta; Craig A. Grapperhaus","Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage","Inorganic Chemistry","2011","50","","9904","9914","10.1021/ic200416y","","","0.7107","MoKα","","0.0563","0.0438","","","0.1042","0.1136","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326473","12.6836","0.0003","14.5643","0.0002","14.3913","0.0003","90","","107.029","0.002","90","","2541.92","0.09","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H39 Ag Cd O3 P2 S6 -","- C51 H39 Ag Cd O3 P2 S6 -","- C102 H78 Ag2 Cd2 O6 P4 S12 -","2","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0592","0.0393","","","0.0881","0.0933","","","","","","0.922","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326475","12.7887","0.0002","14.7387","0.0002","14.1904","0.0003","90","","107.071","0.002","90","","2556.89","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H45 Ag Cd O3 P2 S3 -","- C57 H45 Ag Cd O3 P2 S3 -","- C114 H90 Ag2 Cd2 O6 P4 S6 -","2","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0293","0.0229","","","0.042","0.043","","","","","","0.95","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326513","15.0013","0.0008","23.3563","0.0012","23.8248","0.0012","90","","90.658","0.001","90","","8347.1","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H80 Cu2 N4 O20 -","- C96 H80 Cu2 N4 O20 -","- C384 H320 Cu8 N16 O80 -","4","2","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0873","0.0678","","","0.1838","0.2014","","","","","","1.045","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326522","8.4605","0.0007","14.9365","0.0013","17.6616","0.0015","90","","96.117","0.001","90","","2219.2","0.3","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H58 Cl2 N4 O6 Ti2 -","- C45 H58 Cl2 N4 O6 Ti2 -","- C90 H116 Cl4 N8 O12 Ti4 -","2","1","","Cesar M. Manna; Gad Armony; Edit Y. Tshuva","New Insights on the Active Species and Mechanism of Cytotoxicity of Salan-Ti(IV) Complexes: A Stereochemical Study","Inorganic Chemistry","2011","50","","10284","10291","10.1021/ic201340m","","","0.71073","MoKα","","0.0329","0.032","","","0.0856","0.0864","","","","","","1.045","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326650","9.86","0.001","16.751","0.002","13.817","0.001","90","","90.526","0.002","90","","2282","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H53 Ag B F4 N4 P S -","- C44 H53 Ag B F4 N4 P S -","- C88 H106 Ag2 B2 F8 N8 P2 S2 -","2","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0721","0.0429","","","0.0852","0.0973","","","","","","1.004","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326703","11.06","0.002","7.7694","0.0016","12.055","0.002","90","","114.69","0.03","90","","941.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 N12 O Zn -","- C17 H12 N12 O Zn -","- C34 H24 N24 O2 Zn2 -","2","1","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.0668","0.0506","","","0.0761","0.0807","","","","","","1.049","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326711","8.81","0.0007","15.981","0.0008","10.112","0.0006","90","","91.449","0.004","90","","1423.24","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C21 H28 N5 Ni O15 Y -","- C21 H28 N5 Ni O15 Y -","- C42 H56 N10 Ni2 O30 Y2 -","2","1","","Rémi Maurice; Laure Vendier; Jean-Pierre Costes","Magnetic Anisotropy in NiII-YIII Binuclear Complexes: On the Importance of Both the First Coordination Sphere of the NiII Ion and the YIII Ion Belonging to the Second Coordination Sphere","Inorganic Chemistry","2011","50","","11075","11081","10.1021/ic201623e","","","0.71073","MoKα","","0.0452","0.0273","","","0.043","0.0457","","","","","","0.817","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326775","14.516","0.003","10.013","0.002","14.518","0.003","90","","112.545","0.003","90","","1948.9","0.7","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H38 Cl2 Fe3 Mo N3 S5 -","- C21 H38 Cl2 Fe3 Mo N3 S5 -","- C42 H76 Cl4 Fe6 Mo2 N6 S10 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0996","0.0787","","","0.2229","0.2349","","","","","","1.065","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326796","14.3766","0.0005","15.0916","0.0003","14.934","0.0005","90","","101.118","0.002","90","","3179.36","0.17","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H71 N28 Nd O37 S -","- C39 H67 N28 Nd O37 S -","- C78 H134 N56 Nd2 O74 S2 -","2","1","","Pierre Thuéry","l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies","Inorganic Chemistry","2011","50","","10558","10560","10.1021/ic201965k","","","0.71073","MoKα","","0.0378","0.0339","","","0.0824","0.0843","","","","","","1.033","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326797","14.9552","0.0002","15.4216","0.0002","28.7508","0.0004","90","","101.002","0.002","90","","6509.01","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H148 Eu2 N56 O77 S2 -","- C78 H116 Eu2 N56 O77 S2 -","- C156 H232 Eu4 N112 O154 S4 -","2","1","","Pierre Thuéry","l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies","Inorganic Chemistry","2011","50","","10558","10560","10.1021/ic201965k","","","0.71073","MoKα","","0.0657","0.0538","","","0.153","0.16","","","","","","1.031","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326798","14.9551","0.0004","15.3965","0.0004","28.7244","0.0005","90","","101.091","0.002","90","","6490.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H148 N56 O77 S2 Tb2 -","- C78 H120 N56 O77 S2 Tb2 -","- C156 H240 N112 O154 S4 Tb4 -","2","1","","Pierre Thuéry","l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies","Inorganic Chemistry","2011","50","","10558","10560","10.1021/ic201965k","","","0.71073","MoKα","","0.0557","0.0487","","","0.1365","0.1413","","","","","","1.014","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326828","7.4213","0.0013","10.3844","0.0016","16.476","0.003","90","","102.732","0.005","90","","1238.5","0.4","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N10 O3 S2 -","- C24 H20 N10 O3 S2 -","- C48 H40 N20 O6 S4 -","2","1","","Ludivine Garcia; Stéphane Maisonneuve; Jennifer Oudinet-Sin Marcu; Régis Guillot; François Lambert; Juan Xie; Clotilde Policar","Intrinsically Fluorescent Glycoligands To Study Metal Selectivity","Inorganic Chemistry","2011","50","","11353","11362","10.1021/ic200897v","","x-ray","0.71073","MoKα","","0.1221","0.0925","","","0.1961","0.3017","","","","","","1.104","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326829","14.226","0.005","5.587","0.005","16.82","0.005","90","","92.784","0.005","90","","1335.3","1.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl3 N9 O3 S -","- C24 H22 Cl3 N9 O3 S -","- C48 H44 Cl6 N18 O6 S2 -","2","1","","Ludivine Garcia; Stéphane Maisonneuve; Jennifer Oudinet-Sin Marcu; Régis Guillot; François Lambert; Juan Xie; Clotilde Policar","Intrinsically Fluorescent Glycoligands To Study Metal Selectivity","Inorganic Chemistry","2011","50","","11353","11362","10.1021/ic200897v","","x-ray","0.71073","MoKα","","0.0983","0.0483","","","0.0884","0.1008","","","","","","1.007","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326831","8.1814","0.0002","9.9745","0.0002","17.0287","0.0004","90","","90.81","0.002","90","","1389.49","0.05","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Δ-Bis{(S)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C32 H32 N2 O4 Zn -","- C32 H32 N2 O4 Zn -","- C64 H64 N4 O8 Zn2 -","2","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.0648","0.0372","","","0.065","0.0725","","","","","","1.041","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326832","8.244","0.005","10.01","0.006","17.064","0.01","90","","90.974","0.01","90","","1408","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Λ-Bis{(R)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C32 H32 N2 O4 Zn -","- C32 H32 N2 O4 Zn -","- C64 H64 N4 O8 Zn2 -","2","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.047","0.0315","","","0.0566","0.0587","","","","","","0.722","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326849","10.625","0.002","12.091","0.003","10.732","0.002","90","","115.23","0.03","90","","1247.2","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br8 P -","- C18 H15 Br8 P -","- C36 H30 Br16 P2 -","2","1","","Michael Wolff; Alexander Okrut; Claus Feldmann","[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids","Inorganic Chemistry","2011","50","","11683","11694","10.1021/ic201291k","","","0.71073","MoKα","","0.0721","0.0557","","","0.128","0.1416","","","","","","1.029","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326868","19.293","0.004","14.332","0.003","10.3246","0.0014","90","","90.114","0.01","90","","2854.8","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N2 O14 Zn4 -","- C22 H14 N2 O14 Zn4 -","- C44 H28 N4 O28 Zn8 -","2","1","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Serine-Based Homochiral Nanoporous Frameworks for Selective CO2 Uptake","Inorganic Chemistry","2011","50","","11527","11531","10.1021/ic201442u","","","1.5478","MoKα","","0.0631","0.0494","","","0.1235","0.1314","","","","","","0.864","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326869","19.42","0.013","14.437","0.01","10.337","0.007","90","","89.731","0.013","90","","2898","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N2 O14 Zn4 -","- C22 H13 N2 O14 Zn4 -","- C44 H26 N4 O28 Zn8 -","2","1","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Serine-Based Homochiral Nanoporous Frameworks for Selective CO2 Uptake","Inorganic Chemistry","2011","50","","11527","11531","10.1021/ic201442u","","","0.71073","MoKα","","0.101","0.0713","","","0.1904","0.2083","","","","","","0.955","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326890","10.791","0.003","18.425","0.005","14.533","0.004","90","","99.53","0.004","90","","2849.6","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H86 Ce2 N4 O13 -","- C49 H86 Ce2 N4 O13 -","- C98 H172 Ce4 N8 O26 -","2","1","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0347","0.0324","","","0.0831","0.0839","","","","","","1.057","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4327175","10.27","0.002","11.016","0.002","12.46","0.003","90","","112.43","0.03","90","","1303","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H18 F3 N2 O5 P S3 -","- C25 H18 F3 N2 O5 P S3 -","- C50 H36 F6 N4 O10 P2 S6 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.1452","0.0632","","","0.1439","0.1962","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327176","10.342","0.002","10.994","0.002","12.477","0.003","90","","111.88","0.03","90","","1316.4","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H18 As F3 N2 O5 S3 -","- C25 H18 As F3 N2 O5 S3 -","- C50 H36 As2 F6 N4 O10 S6 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0729","0.0501","","","0.1234","0.1428","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327181","10.9527","0.0005","8.636","0.0004","16.0493","0.0006","90","","95.49","0.002","90","","1511.1","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H40 Cl2 N8 Ni O11 -","- C21 H40 Cl2 N8 Ni O11 -","- C42 H80 Cl4 N16 Ni2 O22 -","2","1","","Mingfeng Yu; Jason R. Price; Paul Jensen; Carrie J. Lovitt; Todd Shelper; Sandra Duffy; Louisa C. Windus; Vicky M. Avery; Peter J. Rutledge; Matthew H. Todd","Copper, Nickel, and Zinc Cyclam-Amino Acid and Cyclam-Peptide Complexes May Be Synthesized with ""Click"" Chemistry and Are Noncytotoxic","Inorganic Chemistry","2011","50","","12823","12835","10.1021/ic2020012","","","0.71069","MoKα","","0.0548","0.0407","","","0.1034","0.1145","","","","","","1.056","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327267","10.4282","0.0016","6.4356","0.0009","14.875","0.003","90","","105.027","0.002","90","","964.1","0.3","153.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C38 H54 N2 O12 -","2","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0336","","","","0.0861","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327274","12.7676","0.0013","16.6577","0.0014","22.081","0.002","90","","100.419","0.0016","90","","4618.7","0.7","153.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H110 Cl6 Cu4 N6 O25 -","- C82 H99 Cl6 Cu4 N6 O25 -","- C164 H198 Cl12 Cu8 N12 O50 -","2","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0604","","","","0.0734","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327385","9.774","0.002","9.712","0.002","16.132","0.003","90","","96.583","0.009","90","","1521.2","0.5","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H41 N3 Ni O5 -","- C32 N3 Ni O5 -","- C64 N6 Ni2 O10 -","2","1","","Hideki Ohtsu; Koji Tanaka","Equilibrium of Low- and High-Spin States of Ni(II) Complexes Controlled by the Donor Ability of the Bidentate Ligands","Inorganic Chemistry","2004","43","","3024","3030","10.1021/ic035486+","","","0.7107","MoKα","","","0.034","","","","0.048","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327388","8.9407","0.0003","30.1453","0.001","11.2557","0.0003","90","","112.167","","90","","2809.42","0.15","115","2","115","2","","","","","","","","8","P 1 21 1","P 2yb","4","km2403","","","- C23 H22 B F4 Fe2 N O7 P2 -","- C23 H22 B F4 Fe2 N O7 P2 -","- C92 H88 B4 F16 Fe8 N4 O28 P8 -","4","2","","Pankaj Das; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin; Kenneth W. Muir","Di-Iron Aza Diphosphido Complexes: Mimics for the Active Site of Fe-Only Hydrogenase, and Effects of Changing the Coordinating Atoms of the Bridging Ligand in [Fe2{μ-(ECH2)2NR}(CO)6]","Inorganic Chemistry","2004","43","","8203","8205","10.1021/ic048772+","","x-ray","0.71073","MoKα","","0.0437","0.0327","","","0.0674","0.0713","","","","","","1.046","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327471","7.0182","0.0009","13.8168","0.0017","11.9208","0.0012","90","","94.602","0.002","90","","1152.2","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","Ethanol dithiazinane","O-Dimethylaluminum-O-trimehylaluminum-2-(1,3,5-dithiazinan-5-yl)ethanolate","","- C17 H33 Al2 N O S2 -","- C17 H33 Al2 N O S2 -","- C34 H66 Al4 N2 O2 S4 -","2","1","","Juan Carlos Gálvez-Ruiz; Henrich Nöth; Angelina Flores-Parra","Organometallic Aluminum Compounds Derived from 2-(1,3,5-Dithiazinan-5-yl)ethanol Ligands1","Inorganic Chemistry","2003","42","","7569","7578","10.1021/ic034642+","","","0.71073","MoKα","","0.133","0.0613","","","0.1234","0.1462","","","","","","0.967","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327571","9.197","0.0006","16.752","0.0015","9.36","0.0007","90","","103.806","0.005","90","","1400.42","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1,3,3-tetraphenyl-1,3-diphospha-2-(2-pyridyl)-4-keto-5- carboxymethylcyclopentadiene","","- C34 H27 N O3 P2 -","- C34 H27 N O3 P2 -","- C68 H54 N2 O6 P4 -","2","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0767","0.0387","","","0.068","0.0737","","","","","","0.822","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327610","10.3006","0.0012","9.6465","0.0008","18.479","0.002","90","","102.98","0.02","90","","1789.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Fe N O2 -","- C21 H23 Fe N O2 -","- C84 H92 Fe4 N4 O8 -","4","2","","Alexandra Hess; Jan Sehnert; Thomas Weyhermüller; Nils Metzler-Nolte","Chiral Ferrocene Amines Derived from Amino Acids and Peptides: Synthesis, Solution and X-ray Crystal Structures and Electrochemical Investigations","Inorganic Chemistry","2000","39","","5437","5443","10.1021/ic000089+","","","0.71073","MoKα","","0.0771","0.0599","","0.1648","0.1519","","","","1.062","1.108","1.108","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327644","9.603","0.002","14.304","0.003","11.774","0.002","90","","105.48","0.03","90","","1558.6","0.6","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H38 Cl2 N2 Ni O8 S4 -","- C22 H38 Cl2 N2 Ni O8 S4 -","- C44 H76 Cl4 N4 Ni2 O16 S8 -","2","1","","Chandrika P. Kulatilleke; Scott N. Goldie; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Formation and Dissociation Kinetics and Crystal Structures of Nickel(II)-Macrocyclic Tetrathiaether Complexes in Acetonitrile. Comparison to Nickel(II)-Macrocyclic Tetramines","Inorganic Chemistry","2000","39","","1444","1453","10.1021/ic991019+","","","0.71073","MoKα","","0.0723","0.0618","","0.1761","0.1627","","","","1.028","1.065","1.065","","","","","has coordinates,has disorder","179379","2020-10-21","18:00:00",""
"4327665","8.0228","0.0001","14.4933","0.0003","13.3917","0.0002","90","","106.724","0.001","90","","1491.28","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Ag2 N4 S4 -","- C30 H30 Ag2 N4 S4 -","- C60 H60 Ag4 N8 S8 -","2","1","","Stephen J. Archibald; Nathaniel W. Alcock; Daryle H. Busch; David R. Whitcomb","Synthesis and Characterization of Functionalized N,N'-Diphenylformamidinate Silver(I) Dimers: Solid-State Structures and Solution Properties","Inorganic Chemistry","1999","38","","5571","5578","10.1021/ic981270+","","","0.71073","MoKα","","0.053","0.0341","","0.0613","0.056","","","","0.922","0.961","0.961","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327679","10.1691","0.0009","10.3133","0.0007","12.214","0.001","90","","101.185","0.007","90","","1256.64","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H25 F6 N3 O8 Ru S2 -","- C16 H25 F6 N3 O8 Ru S2 -","- C32 H50 F12 N6 O16 Ru2 S4 -","2","1","","Rob A. T. M. Abbenhuis; Ignacio del Río; Michel M. Bergshoef; Jaap Boersma; Nora Veldman; Anthony L. Spek; Gerard van Koten","16- and 18-Electron Ruthenium(II) Complexes of the Neutral, Potentially Tridentate Triamine Ligand 2,6-[Bis(dimethylamino)methyl]pyridine (NN'N)","Inorganic Chemistry","1998","37","","1749","1758","10.1021/ic971061+","","","0.71073","MoKα","","0.0238","0.0231","","0.0593","0.0589","","","","1.038","1.041","1.041","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327690","12.1175","0.0002","14.9238","0.0002","16.9767","0.0003","90","","90.084","0.001","90","","3070.05","0.08","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Ba F12 N2 O6 -","- C22 H28 Ba F12 N2 O6 -","- C88 H112 Ba4 F48 N8 O24 -","4","2","","Deborah A. Neumayer; John A. Belot; Richard L. Feezel; Charles Reedy; Charlotte L. Stern; Tobin J. Marks; Louise M. Liable-Sands; Arnold L. Rheingold","Approaches to Alkaline Earth Metal-Organic Chemical Vapor Deposition Precursors. Synthesis and Characterization of Barium Fluoro-β-ketoiminate Complexes Having Appended Polyether ""Lariats""","Inorganic Chemistry","1998","37","","5625","5633","10.1021/ic980208+","","","0.71073","MoKα","","0.0507","0.038","","0.0979","0.0803","","","","1.017","1.016","1.016","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327738","18.565","0.002","8.3952","0.0011","19.908","0.002","90","","109.837","0.005","90","","2918.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N3 O3 Ru -","- C32 H36 Cl N3 O3 Ru -","- C128 H144 Cl4 N12 O12 Ru4 -","4","2","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0397","0.0327","","","0.0704","0.0909","","","","","","1.18","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327739","10.355","0.005","8.834","0.005","15.1","0.005","90","","94.342","0.005","90","","1377.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N3 Ru -","- C32 H36 Cl N3 Ru -","- C64 H72 Cl2 N6 Ru2 -","2","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0531","0.0378","","","0.1032","0.1299","","","","","","1.203","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4328082","7.7588","0.0017","13.72","0.003","8.5521","0.0019","90","","98.168","0.003","90","","901.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","NCr(NiPr2)2(NO3)","","","- C12 H28 Cr N4 O3 -","- C12 H28 Cr N4 O3 -","- C24 H56 Cr2 N8 O6 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0877","0.0525","","","0.1102","0.1262","","","","","","0.984","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328127","11.6011","0.0006","12.9908","0.0007","11.6276","0.0006","90","","101.049","0.002","90","","1719.88","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H44 F6 Mo N3 O2 P -","- C33 H44 F6 Mo N3 O2 P -","- C66 H88 F12 Mo2 N6 O4 P2 -","2","1","","Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions","Inorganic Chemistry","2012","51","","1440","1449","10.1021/ic201681u","","","0.71073","MoKα","","0.0179","0.0167","","","0.0411","0.0417","","","","","","1.032","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328246","6.828","0.002","8.706","0.003","8.441","0.003","90","","100.615","0.003","90","","493.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba2 H4 O13 -","- B6 Ba2 H4 O13 -","- B12 Ba4 H8 O26 -","2","1","","Li Wang; Shilie Pan; Lixian Chang; Jianyang Hu; Hongwei Yu","UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units","Inorganic Chemistry","2012","51","","1852","1858","10.1021/ic2021337","","","0.71073","MoKα","","0.0288","0.0287","","","0.0708","0.0709","","","","","","1.146","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328310","13.3709","0.0017","14.1169","0.0017","20.935","0.003","90","","92.279","0.002","90","","3948.5","0.9","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 B Cr Mn N11 O2 -","- C40 H32 B Cr Mn N11 O2 -","- C160 H128 B4 Cr4 Mn4 N44 O8 -","4","2","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0787","0.0558","","","0.115","0.1215","","","","","","1.063","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328311","13.3781","0.0009","14.1119","0.0009","20.8914","0.0014","90","","92.229","0.001","90","","3941.1","0.5","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 B Cr Mn N11 O2 -","- C40 H32 B Cr Mn N11 O2 -","- C160 H128 B4 Cr4 Mn4 N44 O8 -","4","2","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0768","0.0576","","","0.123","0.1286","","","","","","1.02","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328339","13.271","0.0007","13.739","0.0007","25.72","0.0014","90","","92.509","0.001","90","","4685","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Mo2(DAniF)3]2(Se)2, 2CH2Cl2","","","- C92 H94 Cl4 Mo4 N12 O12 Se2 -","- C92 H94 Cl4 Mo4 N12 O12 Se2 -","- C184 H188 Cl8 Mo8 N24 O24 Se4 -","2","1","","Zhong Fei Tan; Chun Y. Liu; Ziyun Li; Miao Meng; Ng Seik Weng","Abnormally Long-Range Diamagnetic Anisotropy Induced by Cyclic dδ-pππ Conjugation within a Six-Membered Dimolybdenum/Chalcogen Ring","Inorganic Chemistry","2012","51","","2212","2221","10.1021/ic2021947","","","0.71073","MoKα","","0.0503","0.0393","","","0.0937","0.1044","","","","","","1.06","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328354","14.969","0.002","9.0746","0.0012","19.82","0.003","90","","107.679","0.002","90","","2565.2","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H22 Mo6 N2 O48 P4 -","- C10 H22 Mo6 N2 O48 P4 -","- C20 H44 Mo12 N4 O96 P8 -","2","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.0421","0.0391","","","0.0972","0.0988","","","","","","1.011","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328418","17.7791","0.0005","9.7695","0.0003","19.4755","0.0006","90","","110.341","0.002","90","","3171.81","0.17","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Cl N O P Pd -","- C36 H37 Cl N O P Pd -","- C144 H148 Cl4 N4 O4 P4 Pd4 -","4","2","","Yinhua Huang; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Palladacycle-Catalyzed Asymmetric Hydrophosphination of Enones for Synthesis of C*- and P*-Chiral Tertiary Phosphines","Inorganic Chemistry","2012","51","","2533","2540","10.1021/ic202472f","","","0.71073","MoKα","","0.0514","0.0388","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328491","14.965","0.004","12.845","0.003","27.007","0.007","90","","96.342","0.004","90","","5160","2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H128 I K2 N6 U2 -","- C91 H128 I K2 N6 U2 -","- C182 H256 I2 K4 N12 U4 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.04","0.0362","","","0.0854","0.087","","","","","","1.068","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328500","13.388","0.001","23.356","0.002","13.546","0.001","90","","110.329","0.002","90","","3971.9","0.5","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C108 F60 -","- C108 F60 -","- C216 F120 -","2","1","","Maria A. Lanskikh; Nadezhda B. Tamm; Lev N. Sidorov; Sergey I. Troyanov","Capturing C84 Isomers as Chlorides and Pentafluoroethyl Derivatives: C84Cl22 and C84(C2F5)12","Inorganic Chemistry","2012","51","","2719","2721","10.1021/ic202210s","","","0.905","","","0.2202","0.1034","","","0.219","0.2521","","","","","","1.129","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328611","6.8561","0.0008","8.8022","0.0011","14.1076","0.0017","90","","95.396","0.002","90","","847.6","0.18","153","2","153","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 Cl5 F5 Ga P5 -","- C6 Cl5 F5 Ga P5 -","- C12 Cl10 F10 Ga2 P10 -","2","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0271","0.0253","","","0.0611","0.0621","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328685","10.0354","0.0013","16.15","0.002","13.1828","0.0019","90","","102.261","0.007","90","","2087.8","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","LHL26110","","","- C42 H59 B N2 P4 Ru -","- C42 H59 B N2 P4 Ru -","- C84 H118 B2 N4 P8 Ru2 -","2","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.0514","0.0444","","","0.0857","0.089","","","","","","1.052","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328761","11.17374","0.00016","41.2997","0.0005","12.37007","0.00019","90","","106.557","0.0015","90","","5471.76","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H48 N12 Ni2 S29 Sb18 -","- C72 H48 N12 Ni2 S29 Sb18 -","- C144 H96 N24 Ni4 S58 Sb36 -","2","1","","Ke-Zhao Du; Mei-Ling Feng; Long-Hua Li; Bing Hu; Zu-Ju Ma; Peng Wang; Jian-Rong Li; Yu-Long Wang; Guo-Dong Zou; Xiao-Ying Huang","[Ni(phen)~3~]~2~Sb~18~S~29~: A Novel Three-Dimensional Framework Thioantimonate(III) Templated by [Ni(phen)~3~] Complexes","Inorganic Chemistry","2012","51","","3926","3928","10.1021/ic202246q","","","0.71073","MoKα","","0.0326","0.0304","","","0.0716","0.0729","","","","","","1.024","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328764","6.4093","0.0013","8.2898","0.0017","9.3656","0.0019","90","","101.51","0.03","90","","487.6","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 F2 O11 Sr3 -","- B6 F2 O11 Sr3 -","- B12 F4 O22 Sr6 -","2","1","","Colin D. McMillen; Jared T. Stritzinger; Joseph W. Kolis","Two Novel Acentric Borate Fluorides: M3B6O11F2 (M = Sr, Ba)","Inorganic Chemistry","2012","51","","3953","3955","10.1021/ic202318b","","","0.71073","MoKα","","0.0251","0.023","","","0.0482","0.0492","","","","","","0.972","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328765","6.5572","0.0013","8.5107","0.0017","9.6726","0.0019","90","","101.21","0.03","90","","529.49","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba3 F2 O11 -","- B6 Ba3 F2 O11 -","- B12 Ba6 F4 O22 -","2","1","","Colin D. McMillen; Jared T. Stritzinger; Joseph W. Kolis","Two Novel Acentric Borate Fluorides: M3B6O11F2 (M = Sr, Ba)","Inorganic Chemistry","2012","51","","3953","3955","10.1021/ic202318b","","","0.71073","MoKα","","0.0402","0.0397","","","0.0946","0.0954","","","","","","1.069","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328887","15.5616","0.0014","30.839","0.003","30.729","0.003","90","","100.62","0.007","90","","14494","2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","La[15-MC Cu(II), L-phenylglycineHA-5](bithiophene dicarboxylate)","","- C237 H282 Cu20 La4 N50 O103.5 S12 -","- C237 H227 Cu20 La4 N45 O95.5 S12 -","- C474 H454 Cu40 La8 N90 O191 S24 -","2","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.7749","synchrotron","","0.1076","0.0558","","","0.1246","0.161","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328888","16.7609","0.0009","35.759","0.002","17.9482","0.001","90","","107.712","0.001","90","","10247.4","1","85","2","85","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Gd[15-MC Cu(II), L-homopheHA-5](btDC)","","- C154.25 H225 Cu10 Gd2 N28 O58.25 S6 -","- C154.75 H188.25 Cu10 Gd2 N28 O58.25 S6 -","- C309.5 H376.5 Cu20 Gd4 N56 O116.5 S12 -","2","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0592","0.055","","","0.154","0.158","","","","","","1.154","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328893","21.897","0.003","16.791","0.002","23.454","0.003","90","","98.896","0.002","90","","8519.7","1.9","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","La[15-MC Cu(II), L-homopheHA-5](terephthalate)","","- C130.5 H211.5 Cu10 La2 N20 O65.25 -","- C132.75 H172.25 Cu10 La2 N20 O60.5 -","- C265.5 H344.5 Cu20 La4 N40 O121 -","2","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0518","0.0482","","","0.1324","0.1364","","","","","","1.204","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328974","5.319","0.0011","9.5535","0.0019","9.7302","0.0019","90","","101.23","0.03","90","","484.97","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H11 N Ni O7 S -","- C5 H11 N Ni O7 S -","- C10 H22 N2 Ni2 O14 S2 -","2","1","","Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng","Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone","Inorganic Chemistry","2012","51","","4784","4790","10.1021/ic300106k","","","0.71073","MoKα","","0.0328","0.0295","","","0.0583","0.0602","","","","","","1.013","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329033","11.034","0.002","9.1616","0.0018","19.84","0.004","90","","95.6","0.03","90","","1996","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H26 Eu F9 N2 O6 -","- C43 H26 Eu F9 N2 O6 -","- C86 H52 Eu2 F18 N4 O12 -","2","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0381","0.0339","","","0.0819","0.0855","","","","","","1.081","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329036","11.018","0.002","9.1465","0.0018","19.8","0.004","90","","95.8","0.03","90","","1985.2","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H26 F9 N2 O6 Sm -","- C43 H26 F9 N2 O6 Sm -","- C86 H52 F18 N4 O12 Sm2 -","2","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0552","0.0448","","","0.1015","0.1063","","","","","","1.087","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329221","11.69","0.002","14.252","0.002","19.351","0.003","90","","107.082","0.002","90","","3081.8","0.8","90","","90","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 Ag B F4 O2 P4 -","- C72 H72 Ag B F4 O2 P4 -","- C144 H144 Ag2 B2 F8 O4 P8 -","2","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Photoluminescence Properties, Molecular Structures, and Theoretical Study of Heteroleptic Silver(I) Complexes Containing Diphosphine Ligands","Inorganic Chemistry","2012","51","","5805","5813","10.1021/ic300333c","","","0.71073","MoKα","","0.1004","0.0914","","","0.2357","0.242","","","","","","1.095","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329229","18.3246","0.0006","32.1089","0.001","39.6037","0.0012","90","","94.488","0.001","90","","23230.7","1.3","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","[LPd2]_19/7(Me2NCHO)_1/7(Et2O)_16/7(H2O)","","","- C70.71 H71 N6.71 O11.14 Pd2 -","- C70.7143 H71 N6.71429 O11.1429 Pd2 -","- C990 H994 N94 O156 Pd28 -","14","7","","Shigehisa Akine; Hiroki Nagumo; Tatsuya Nabeshima","Hierarchical Helix of Helix in the Crystal: Formation of Variable-Pitch Helical π-Stacked Array of Single-Helical Dinuclear Metal Complexes","Inorganic Chemistry","2012","51","","5506","5508","10.1021/ic3004273","","","0.71073","MoKα","","0.0907","0.0726","","","0.1749","0.1867","","","","","","1.091","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329384","5.445","0.0001","11.4384","0.0003","10.0709","0.0003","90","","104.629","0.002","90","","606.9","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 Cl N2 O -","- C10 H21 Cl N2 O -","- C20 H42 Cl2 N4 O2 -","2","1","","David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt","Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3","Inorganic Chemistry","2012","51","","6385","6395","10.1021/ic3006794","","","0.71073","MoKα","","0.0888","0.0874","","","0.2442","0.2449","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329412","10.0931","0.0003","13.4287","0.0003","22.2764","0.0005","90","","95.8361","0.0007","90","","3003.63","0.13","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H65 Eu F9 N3 O8 -","- C61 H65 Eu F9 N3 O8 -","- C122 H130 Eu2 F18 N6 O16 -","2","1","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.0313","","","","0.0746","","","","","","1.175","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329413","16.3485","0.0003","12.6514","0.0002","22.9499","0.0004","90","","99.71","0.0007","90","","4678.76","0.14","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H50 Eu F9 N2 O6 -","- C48 H50 Eu F9 N2 O6 -","- C192 H200 Eu4 F36 N8 O24 -","4","2","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.023","","","","0.0556","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329414","21.3203","0.0004","23.1025","0.0004","22.3797","0.0004","90","","90.2315","0.0007","90","","11023.1","0.3","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H65 Eu F9 N3 O8 -","- C53 H65 Eu F9 N3 O8 -","- C424 H520 Eu8 F72 N24 O64 -","8","4","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.0229","","","","0.057","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329621","8.053","0.005","30.944","0.019","8.073","0.005","90","","113.82","0.006","90","","1840","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","11087a","","","- C31 H44 B2 N12 Ni2 O3 -","- C31 H44 B2 N12 Ni2 O3 -","- C62 H88 B4 N24 Ni4 O6 -","2","1","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0718","0.0525","","","0.1114","0.1194","","","","","","1.061","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329636","8.4411","0.0011","11.2137","0.0015","14.493","0.002","90","","91.529","0.009","90","","1371.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 Cl4 N2 O6 Sn2 -","- C18 H36 Cl4 N2 O6 Sn2 -","- C36 H72 Cl8 N4 O12 Sn4 -","2","1","","Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines","Cationic Cryptand Complexes of Tin(II)","Inorganic Chemistry","2012","51","","7306","7316","10.1021/ic3006713","","","0.71073","MoKα","","0.1004","0.055","","","0.1115","0.1318","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329637","8.4816","0.0017","11.541","0.002","14.656","0.003","90","","90.21","0.03","90","","1434.6","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 Br4 N2 O6 Sn2 -","- C18 H36 Br4 N2 O6 Sn2 -","- C36 H72 Br8 N4 O12 Sn4 -","2","1","","Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines","Cationic Cryptand Complexes of Tin(II)","Inorganic Chemistry","2012","51","","7306","7316","10.1021/ic3006713","","","0.71073","MoKα","","0.0416","0.0373","","","0.0953","0.1129","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329650","14.9501","0.0007","28.1633","0.0012","18.2359","0.0008","90","","110.183","0.002","90","","7206.6","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C145.5 H177 Au8 F12 O10.5 P6 -","- C145.5 H177 Au8 F12 O10.5 P6 -","- C291 H354 Au16 F24 O21 P12 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou","Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives","Inorganic Chemistry","2012","51","","7392","7403","10.1021/ic300856h","","","0.71073","MoKα","","0.0404","0.03","","","0.0549","0.0572","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329762","8.899","0.0018","26.29","0.005","15.472","0.003","90","","103.45","0.03","90","","3520.5","1.3","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 Ca O2 P2 Se4 -","- C32 H36 Ca O2 P2 Se4 -","- C128 H144 Ca4 O8 P8 Se16 -","4","2","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.0553","0.0389","","","0.077","0.0817","","","","","","1.038","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329763","15.7762","0.0004","13.1205","0.0005","20.0254","0.0006","90","","108.406","0.002","90","","3933","0.2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 O3 P2 S4 Sr -","- C36 H44 O3 P2 S4 Sr -","- C144 H176 O12 P8 S16 Sr4 -","4","2","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.1264","0.0586","","","0.0988","0.1136","","","","","","0.948","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329844","12.6565","0.0003","13.1801","0.0004","16.2711","0.0004","90","","92.582","0.002","90","","2711.49","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7.5 H22 Cl9 Ga2 Sb3 -","- C7.5 H22 Cl9 Ga2 Sb3 -","- C30 H88 Cl36 Ga8 Sb12 -","4","2","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.143","0.0612","","","0.0723","0.0858","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329860","11.918","0.0005","14.0156","0.0006","11.966","0.0005","90","","103.443","0.002","90","","1944.01","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 B O S -","- C23 H25 B O S -","- C92 H100 B4 O4 S4 -","4","2","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0249","0.0241","","","0.0611","0.0616","","","","","","1.02","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329935","12.3903","0.0018","12.8524","0.0019","12.6936","0.0019","90","","116.785","0.002","90","","1804.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H30 Cl2 N2 Zn -","- C14 H30 Cl2 N2 Zn -","- C56 H120 Cl8 N8 Zn4 -","4","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0275","0.0251","","","0.0629","0.0642","","","","","","1.026","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329940","12.0059","0.0011","8.2368","0.0005","19.3045","0.001","90","","99.499","0.007","90","","1882.9","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H29 Br2 Hg N2 -","- C14 H29 Br2 Hg N2 -","- C56 H116 Br8 Hg4 N8 -","4","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0377","0.027","","","0.0384","0.0392","","","","","","1.002","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329941","8.7499","0.0006","15.8447","0.0009","13.4635","0.0011","90","","92.018","0.008","90","","1865.4","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H30 Br2 Hg N2 -","- C14 H30 Br2 Hg N2 -","- C56 H120 Br8 Hg4 N8 -","4","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0909","0.0564","","","0.1062","0.1107","","","","","","1.032","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329958","14.949","0.003","15.745","0.003","21.602","0.004","90","","104.93","0.03","90","","4912.9","1.8","149","2","149","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H142 Li2 N0 O11 Si8 Sn9 -","- C62 H142 Li2 O11 Si8 Sn9 -","- C124 H284 Li4 O22 Si16 Sn18 -","2","1","","Claudio Schrenk; Florian Winter; Rainer Pöttgen; Andreas Schnepf","{Sn9[Si(SiMe3)3]2}2-: A Metalloid Tin Cluster Compound With a Sn9 Core of Oxidation State Zero","Inorganic Chemistry","2012","51","","8583","8588","10.1021/ic3011647","","","0.71073","MoKα","","0.0425","0.0394","","","0.0999","0.1023","","","","","","1.078","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329994","10.4927","0.0018","15.606","0.003","10.6505","0.0018","90","","111.242","0.004","90","","1625.5","0.5","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H49 B F4 N2 Ni P2 -","- C28 H49 B F4 N2 Ni P2 -","- C56 H98 B2 F8 N4 Ni2 P4 -","2","1","","Oana R. Luca; James D. Blakemore; Steven J. Konezny; Jeremy M. Praetorius; Timothy J. Schmeier; Glendon B. Hunsinger; Victor S. Batista; Gary W. Brudvig; Nilay Hazari; Robert H. Crabtree","Organometallic Ni Pincer Complexes for the Electrocatalytic Production of Hydrogen","Inorganic Chemistry","2012","51","","8704","8709","10.1021/ic300009a","","","0.71075","MoKα","","","0.0581","","","","0.1264","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330001","12.2986","0.0012","25.4641","0.0024","20.5721","0.002","90","","95.684","0.015","90","","6410.9","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H82 Co2 O26 P8 V2 -","- C46 H81.5 Co2 O26 P8 V2 -","- C184 H326 Co8 O104 P32 V8 -","4","2","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0777","0.0582","","","0.1345","0.1498","","","","","","1.024","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330111","10.532","0.0012","22.212","0.003","12.7322","0.0014","90","","94.212","0.002","90","","2970.5","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H76 Dy N5 O9 -","- C59 H76 Dy N5 O9 -","- C118 H152 Dy2 N10 O18 -","2","1","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0677","0.0582","","","0.1242","0.1271","","","","","","1.076","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330114","10.5293","0.0013","22.104","0.003","12.761","0.0016","90","","94.213","0.002","90","","2962","0.7","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H76 Dy N5 O9 -","- C59 H76 Dy N5 O9 -","- C118 H152 Dy2 N10 O18 -","2","1","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0635","0.0549","","","0.1072","0.1088","","","","","","1.091","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330117","8.4626","0.001","19.083","0.002","10.7638","0.0013","90","","107.14","0.001","90","","1661.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Me2NN]CuSCPh3","","","- C40 H40 Cu N2 S -","- C40 H40 Cu N2 S -","- C80 H80 Cu2 N4 S2 -","2","1","","Marie M. Melzer; Susanne Mossin; Allan Jay P. Cardenas; Kamille D. Williams; Shiyu Zhang; Karsten Meyer; Timothy H. Warren","A Copper(II) Thiolate from Reductive Cleavage of an S-Nitrosothiol","Inorganic Chemistry","2012","51","","8658","8660","10.1021/ic301356h","","","0.71073","MoKα","","0.0329","0.0296","","","0.0647","0.0659","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330130","10.72917","0.00011","25.2968","0.0003","17.3108","0.0002","90","","94.5232","0.001","90","","4683.75","0.09","179.9","","179.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C83.68 H96.93 Co4 N16 O17.29 -","- C83.672 H96.902 Co4 N16 O17.514 -","- C167.344 H193.804 Co8 N32 O35.028 -","2","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.0569","0.0544","","","0.1442","0.147","","","","","","1.028","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330164","7.313","0.0003","21.8734","0.0008","11.7535","0.0005","90","","99.423","0.002","90","","1854.72","0.13","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Chlorido-(3-methyl-D-prolinium-5-methyl-2-oxido-benzaldehyde- thiosemicarbazone)copper(II)]chloride","","- C15 H20 Cl2 Cu N4 O3 S -","- C15 H20 Cl2 Cu N4 O3 S -","- C60 H80 Cl8 Cu4 N16 O12 S4 -","4","2","","Miljan N. M. Milunovic; Éva A. Enyedy; Nóra V. Nagy; Tamás Kiss; Robert Trondl; Michael A. Jakupec; Bernhard K. Keppler; Regina Krachler; Ghenadie Novitchi; Vladimir B. Arion","l- andd-Proline Thiosemicarbazone Conjugates: Coordination Behavior in Solution and the Effect of Copper(II) Coordination on Their Antiproliferative Activity","Inorganic Chemistry","2012","51","","9309","9321","10.1021/ic300967j","","","0.71073","MoKα","","0.0533","0.0356","","","0.0728","0.0795","","","","","","1.014","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330365","9.99632","0.00027","6.79999","0.00022","8.63549","0.00024","90","","92.0371","0.0026","90","","586.63","0.03","298","","298","","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-(4,4'-bipyrazolyl)-ag(i) trifluoromethanesulfonate","","- C7 H6 Ag F3 N4 O3 S -","- C7 H6 Ag F3 N4 O3 S -","- C14 H12 Ag2 F6 N8 O6 S2 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330381","13.278","0.003","21.664","0.002","14.129","0.003","90","","107.72","0.01","90","","3871.4","1.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75 H80 Br4 Cu4 S10 -","- C75 H80 Br4 Cu4 S10 -","- C150 H160 Br8 Cu8 S20 -","2","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","x-ray","0.71073","MoKα","","","0.054","","","","0.1242","","","","","","1.059","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330412","14.0011","0.0005","18.2927","0.0006","14.4932","0.0005","90","","106.071","0.003","90","","3566.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H32 F6 N5 O2 P Ru -","- C41 H32 F6 N5 O2 P Ru -","- C164 H128 F24 N20 O8 P4 Ru4 -","4","2","","Chen Fu; Marianne Wenzel; Elisabeth Treutlein; Klaus Harms; Eric Meggers","Proline as Chiral Auxiliary for the Economical Asymmetric Synthesis of Ruthenium(II) Polypyridyl Complexes","Inorganic Chemistry","2012","51","","10004","10011","10.1021/ic3015157","","","0.71073","MoKα","","0.0488","0.0304","","","0.0485","0.0506","","","","","","0.688","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330485","8.705","0.0005","6.6081","0.0004","11.1731","0.0007","90","","99.1048","0.001","90","","634.62","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 K N O5 -","- C15 H10 K N O5 -","- C30 H20 K2 N2 O10 -","2","1","","Daniel L. Reger; Andrew P. Leitner; Mark D. Smith","Homochiral Helical Metal-Organic Frameworks of Potassium","Inorganic Chemistry","2012","51","","10071","10073","10.1021/ic301228j","","","0.71073","MoKα","","0.0318","0.0311","","","0.0819","0.0824","","","","","","1.102","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330503","11.0206","0.0008","36.583","0.003","12.9112","0.0009","90","","102.393","0.001","90","","5084.1","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H135 Co6 N12 P6 -","- C105 H135 Co6 N12 P6 -","- C210 H270 Co12 N24 P12 -","2","1","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.034","0.0312","","","0.0886","0.0899","","","","","","1.087","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330525","12.674","0.004","13.068","0.005","13.067","0.005","90","","102.7","0.05","90","","2111.3","1.4","298","2","298","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C42 H37 B Cl2 F4 O P2 S W2 -","- C42 H35 B Cl2 F4 O P2 S W2 -","- C84 H70 B2 Cl4 F8 O2 P4 S2 W4 -","2","1","","Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio","Reactions of the Unsaturated Hydroxo Complex [W2Cp2(OH)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, N)","Inorganic Chemistry","2012","51","","10427","10436","10.1021/ic301674k","","","0.71073","MoKα","","0.0525","0.0355","","","0.0804","0.0858","","","","","","0.928","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330526","10.553","0.005","18.183","0.004","19.853","0.005","90","","98.31","0.03","90","","3769","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C83 H70 Cl2 O6 P4 W4 -","- C83 H68 Cl2 O6 P4 W4 -","- C166 H136 Cl4 O12 P8 W8 -","2","1","","Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio","Reactions of the Unsaturated Hydroxo Complex [W2Cp2(OH)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, N)","Inorganic Chemistry","2012","51","","10427","10436","10.1021/ic301674k","","","0.71073","MoKα","","0.0765","0.0415","","","0.1022","0.1088","","","","","","0.929","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330553","10.338","0.001","14.007","0.002","13.438","0.002","90","","104.88","0.01","90","","1880.6","0.4","200","","200","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30.46 H44.82 Cl1.64 Co F6 N2 O5.68 Sb -","- C30.46 H44.82 Cl1.64 Co F6 N2 O5.68 Sb -","- C60.92 H89.64 Cl3.28 Co2 F12 N4 O11.36 Sb2 -","2","1","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.0708","0.047","","","0.1092","0.1272","","","","","","1.212","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330556","11.658","0.002","9.7453","0.0019","18.061","0.004","90","","96.74","0.03","90","","2037.7","0.7","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H60 Cl Co N6 O8 -","- C38 H60 Cl Co N6 O8 -","- C76 H120 Cl2 Co2 N12 O16 -","2","1","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.1222","0.0815","","","0.2045","0.2219","","","","","","1.062","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330603","8.0052","0.0007","24.325","0.002","14.2675","0.0012","90","","100.117","0.003","90","","2735.1","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","dinitro{2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}cadmium(II) dimtheylformamide clathrate","","- C48 H53 Cd N7 O17 -","- C48 H53 Cd N7 O17 -","- C96 H106 Cd2 N14 O34 -","2","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.0729","0.0583","","","0.1602","0.1705","","","","","","1.036","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330654","10.969","0.0008","17.125","0.0013","11.841","0.0008","90","","105.713","0.004","90","","2141.1","0.3","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","tt4_77","tt4_77","","- C34 H51 Cl4 F3 N2 O6 P2 Ru S -","- C34 H51 Cl4 F3 N2 O6 P2 Ru S -","- C68 H102 Cl8 F6 N4 O12 P4 Ru2 S2 -","2","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.052","0.039","","","0.0827","0.0885","","","","","","1.023","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330776","10.0202","0.0011","15.9443","0.0014","8.8542","0.001","90","","90.942","0.013","90","","1414.4","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 N5 Ni O15 Yb -","- C21 H28 N5 Ni O15 Yb -","- C42 H56 N10 Ni2 O30 Yb2 -","2","1","","Fanica Cimpoesu; Françoise Dahan; Sonia Ladeira; Marilena Ferbinteanu; Jean-Pierre Costes","Chiral Crystallization of a Heterodinuclear Ni-Ln Series: Comprehensive Analysis of the Magnetic Properties.","Inorganic Chemistry","2012","51","","11279","11293","10.1021/ic3001784","","","0.71073","MoKα","","0.0208","0.0205","","","0.0483","0.0485","","","","","","1.043","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330850","18.1007","0.0002","26.6281","0.0003","22.7005","0.0003","90","","89.971","0.001","90","","10941.4","0.2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H0 Cu2 N6 O73 Si2 W20 -","- C96 Cu2 N6 O73 Si2 W20 -","- C192 Cu4 N12 O146 Si4 W40 -","2","1","","Kosuke Suzuki; Masahiro Shinoe; Noritaka Mizuno","Synthesis and Reversible Transformation of Cun-Bridged (n= 1, 2, or 4) Silicodecatungstate Dimers","Inorganic Chemistry","2012","51","","11574","11581","10.1021/ic301488a","","","0.71069","MoKα","","0.1012","0.0707","","","0.1822","0.2077","","","","","","1.103","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330943","6.0033","0.0012","7.4485","0.0015","8.5108","0.0017","90","","96.739","0.002","90","","377.94","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","thiocyanatobenzene","","","- C8 H7 N S -","- C8 H7 N S -","- C16 H14 N2 S2 -","2","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0365","0.0323","","","0.0906","0.1003","","","","","","0.833","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330969","6.1363","0.0013","15.109","0.004","9.7475","0.0017","90","","94.37","0.015","90","","901.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H27 Cr N Na O6 -","- C15 H27 Cr N Na O6 -","- C30 H54 Cr2 N2 Na2 O12 -","2","1","","Ruben Bartholomäus; Klaus Harms; Aviva Levina; Peter A. Lay","Synthesis and Characterization of a Chromium(V) cis-1,2-Cyclohexanediolato Complex: A Model of Reactive Intermediates in Chromium-Induced Cancers","Inorganic Chemistry","2012","51","","11238","11240","10.1021/ic301900q","","","0.71073","MoKα","","0.1704","0.0632","","","0.1151","0.1494","","","","","","0.799","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4331029","10.3675","0.0004","20.5572","0.0006","11.7116","0.0004","90","","105.64","0.004","90","","2403.64","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H45 Cu2 I2 P3 -","- C54 H45 Cu2 I2 P3 -","- C108 H90 Cu4 I4 P6 -","2","1","","K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou","Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations","Inorganic Chemistry","2012","51","","12248","12259","10.1021/ic3014255","","","0.71073","MoKα","","0.0715","0.0488","","","0.0656","0.0723","","","","","","0.971","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331065","21.267","0.002","11.483","0.0013","26.049","0.003","90","","111.875","0.002","90","","5903.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H95 Fe N10 O6 -","- C54 H83 Fe N10 O6 -","- C216 H332 Fe4 N40 O24 -","4","2","","Anangamohan Panja; Philippe Guionneau; Ie-Rang Jeon; Stephen M. Holmes; Rodolphe Clérac; Corine Mathonière","Syntheses, Structures, and Magnetic Properties of a Novel mer-[(bbp)FeIII(CN)3]2- Building Block (bbp: bis(2-benzimidazolyl)pyridine dianion) and Its Related Heterobimetallic Fe(III)-Ni(II) Complexes","Inorganic Chemistry","2012","51","","12350","12359","10.1021/ic301661x","","","0.71073","MoKα","","0.1395","0.0846","","","0.2127","0.2525","","","","","","1.028","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331195","15.171","0.007","7.052","0.003","16.168","0.007","90","","113.144","0.007","90","","1590.5","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C80 H74 N10 O4 -","2","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0453","0.0422","","","0.1091","0.1128","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331199","18.41594","0.00017","14.0269","0.00011","25.7679","0.0002","90","","102.075","0.0009","90","","6509.06","0.1","119.94","0.18","119.94","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C320 H296 N40 O16 -","8","4","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0309","0.0304","","","0.0772","0.0778","","","","","","1.018","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331200","18.41746","0.00012","14.028","0.00009","25.77018","0.00017","90","","102.086","0.0006","90","","6510.41","0.07","119.96","0.19","119.96","0.19","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C320 H296 N40 O16 -","8","4","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0357","0.0346","","","0.0766","0.0778","","","","","","1.007","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331281","7.485","0.005","14.76","0.005","13.57","0.005","90","0.005","104.648","0.005","90","0.005","1450.5","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H36 Cl2 Cu2 N6 O10 -","- C20 H36 Cl2 Cu2 N6 O10 -","- C40 H72 Cl4 Cu4 N12 O20 -","2","1","","Sukanta Mandal; Jhumpa Mukherjee; Francesc Lloret; Rabindranath Mukherjee","Modeling Tyrosinase and Catecholase Activity Using Newm-Xylyl-Based Ligands with Bidentate Alkylamine Terminal Coordination","Inorganic Chemistry","2012","51","","13148","13161","10.1021/ic3013848","","","0.71073","MoKα","","0.0361","0.0335","","","0.0723","0.0734","","","","","","1.005","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331341","7.2317","0.0005","17.7138","0.0009","13.4488","0.0009","90","","93.637","0.008","90","","1719.33","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H22 N4 Ni P4 S16 -","- C12 H22 N4 Ni P4 S16 -","- C24 H44 N8 Ni2 P8 S32 -","2","1","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.0625","0.0478","","","0.1122","0.1194","","","","","","0.994","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331379","6.1671","0.0012","10.707","0.002","7.1427","0.0014","90","","113.24","0.03","90","","433.37","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylaminemonochloroborane","","","- C6 H17 B Cl N -","- C6 H17 B Cl N -","- C12 H34 B2 Cl2 N2 -","2","1","","Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore","New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl","Inorganic Chemistry","2012","51","","13430","13436","10.1021/ic302308v","","","0.71073","MoKα","","0.024","0.0222","","","0.0523","0.0532","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331392","4.6441","","4.6292","","23.765","","90","","101.28","","90","","501.042","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(K0.345 Ba0.655) Ag Te2","","- Ag Ba0.655 K0.345 Te2 -","- Ag Ba0.6555 K0.3445 Te2 -","- Ag4 Ba2.622 K1.378 Te8 -","4","2","","Hanko, J.; Gourdon, O.; Whangbo Myunghwan; Evain, M.; Petricek, V.; Kanatzidis, M.G.; Boucher, F.","A unique distortion in K1/3 Ba 2/3 Ag Te2: X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure","Inorganic Chemistry","2000","39","","1398","1409","10.1021/ic991457g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331531","6.16","0.0002","15.474","0.0004","9.722","0.0003","90","","108.18","0.0015","90","","880.44","0.05","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21 1","P 2yb","4","","","","- C15 H20 F6 N O2 P V -","- C15 H20 F6 N O2 P V -","- C30 H40 F12 N2 O4 P2 V2 -","2","1","","Vinklárek, Jaromír; Paláčková, Hana; Honzíček, Jan; Holubová, Jana; Holčapek, Michal; Císařová, Ivana","Investigation of Vanadocene(IV) α-Amino Acid Complexes: Synthesis, Structure, and Behavior in Physiological Solutions, Human Plasma, and Blood","Inorganic Chemistry","2006","45","5","2156","2162","10.1021/ic050687u","","","0.71073","MoKα","","0.0349","0.0319","","","0.0722","0.0744","","","","","","1.038","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331532","6.275","0.0001","15.88","0.0004","9.894","0.0003","90","","105.768","0.0016","90","","948.81","0.04","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21 1","P 2yb","4","","","","- C16 H22 F6 N O2 P V -","- C16 H22 F6 N O2 P V -","- C32 H44 F12 N2 O4 P2 V2 -","2","1","","Vinklárek, Jaromír; Paláčková, Hana; Honzíček, Jan; Holubová, Jana; Holčapek, Michal; Císařová, Ivana","Investigation of Vanadocene(IV) α-Amino Acid Complexes: Synthesis, Structure, and Behavior in Physiological Solutions, Human Plasma, and Blood","Inorganic Chemistry","2006","45","5","2156","2162","10.1021/ic050687u","","","0.71073","MoKα","","0.0579","0.0555","","","0.1534","0.157","","","","","","1.033","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331647","6.6624","0.0007","23.145","0.002","16.511","0.002","90","","102.433","0.006","90","","2486.3","0.5","120","5","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Co2 Mo O2 Se4 -","- C24 H18 Co2 Mo O2 Se4 -","- C96 H72 Co8 Mo4 O8 Se16 -","4","2","","Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi","Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls","Inorganic Chemistry","2006","45","3","1108","1116","10.1021/ic0513282","","","0.7107","MoKα","","","0.033","","","","0.053","","","","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331688","9.961","0.002","18.067","0.003","13.206","0.003","90","","102.72","0.003","90","","2318.3","0.8","453","2","453","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28.67 B0.67 Cu0.67 F2.67 N2 P1.33 -","- C36 H28.6667 B0.666667 Cu0.666667 F2.66667 N2 P1.33333 -","- C108 H86 B2 Cu2 F8 N6 P4 -","3","1.5","","McCormick, Theresa; Jia, Wen-Li; Wang, Suning","Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes","Inorganic Chemistry","2006","45","1","147","155","10.1021/ic051412h","","","0.71073","MoKα","","0.1031","0.0538","","","0.0996","0.1156","","","","","","0.997","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331714","5.163","0.002","9.083","0.004","5.262","0.002","90","","112.223","0.008","90","","228.43","0.16","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F5 H2 N Te -","- F5 H2 N Te -","- F10 H4 N2 Te2 -","2","1","","Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.","Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]","Inorganic Chemistry","2006","45","5","1978","1996","10.1021/ic051451t","","","0.71073","MoKα","","0.0463","0.0413","","","0.1118","0.1147","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331752","9.33","0.0002","17.701","0.0004","9.9319","0.0002","90","","101.221","0.001","90","","1608.9","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^1^-dichloro-titanium","","- C14 H42 Cl2 O2 Si7 Ti -","- C14 H42 Cl2 O2 Si7 Ti -","- C28 H84 Cl4 O4 Si14 Ti2 -","2","1","","Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.","Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†","Inorganic Chemistry","2006","45","8","3203","3211","10.1021/ic0514997","","","0.71073","MoKα","","0.037","0.0271","","","0.0663","0.0697","","","","","","1.037","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331761","7.1328","0.0015","20.059","0.004","10.117","0.002","90","","110.642","0.003","90","","1354.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N2 O14 -","- C26 H24 Cd2 N2 O14 -","- C52 H48 Cd4 N4 O28 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Ni, Zhaoping; Meng, Qingjin","Assemblies of a New Flexible Multicarboxylate Ligand and d10Metal Centers toward the Construction of Homochiral Helical Coordination Polymers: Structures, Luminescence, and NLO-Active Properties","Inorganic Chemistry","2006","45","1","174","180","10.1021/ic051502m","","","0.71073","MoKα","","0.0571","0.0465","","","0.089","0.0908","","","","","","1.077","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331830","10.3434","0.0005","5.82833","0.00027","5.19818","0.00028","90","","104.278","0.006","90","","303.69","0.03","344","","","","","","","","","","","5","P 1 21 1","P 2yb","4","rubidium triflate","rubidium trifluoromethyl sulfonate","","- C F3 O3 Rb S -","- C F3 O3 Rb S -","- C2 F6 O6 Rb2 S2 -","2","1","","Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin","Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3","Inorganic Chemistry","2006","45","8","3217","3223","10.1021/ic0516313","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331875","16.081","0.013","15.937","0.013","25.45","0.02","90","","95.526","0.011","90","","6492","9","273","2","273","2","","","","","","","","9","P 1 21 1","P 2yb","4","EBDC-F4-","","","- C96 H189 B2 F4 Fe6 Mo2 N23 O2 S8 -","- C96 H182 B2 F4 Fe6 Mo2 N23 O2 S8 -","- C192 H364 B4 F8 Fe12 Mo4 N46 O4 S16 -","2","1","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.1582","0.0697","","","0.1141","0.1482","","","","","","1.008","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331957","11.34","0.004","18.197","0.007","12.859","0.005","90","","100.336","0.007","90","","2610.4","1.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H71 Cl2 N8 O12.5 Pt2 Tl2 -","- C33 H71 Cl2 N8 O12.5 Pt2 Tl2 -","- C66 H142 Cl4 N16 O25 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0403","0.0371","","","0.0939","0.0952","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331958","11.291","0.002","17.955","0.004","12.984","0.003","90","","102.386","0.004","90","","2571","0.9","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H68 F12 N8 O4 P2 Pt2 Tl2 -","- C32 H68 F12 N8 O4 P2 Pt2 Tl2 -","- C64 H136 F24 N16 O8 P4 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0366","0.0318","","","0.0749","0.0767","","","","","","1.009","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331959","9.697","0.005","21.176","0.012","9.896","0.005","90","","107.115","0.009","90","","1942.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H46 N10 O11 Pt2 Tl2 -","- C20 H44 N10 O11 Pt2 Tl2 -","- C40 H88 N20 O22 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0488","0.0432","","","0.1282","0.132","","","","","","1.055","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331960","11.83","0.007","21.66","0.012","12.683","0.007","90","","103.34","0.01","90","","3162","3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H90 Fe N8 O15 Pt2 Tl2 -","- C44 H76 Fe N8 O15 Pt2 Tl2 -","- C88 H152 Fe2 N16 O30 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.1234","0.069","","","0.1507","0.1727","","","","","","0.937","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4332060","15.055","0.0002","5.854","0.0001","23.4593","0.0003","90","","106.884","0.0004","90","","1978.39","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H58 F O8 P -","- C39 H39 F O8 P -","- C78 H78 F2 O16 P2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.0577","0.0534","","","0.1461","0.1505","","","","","","1.045","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332063","11.0122","0.0002","11.9486","0.0002","17.6226","0.0003","90","","105.816","0.0006","90","","2231","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H65 O9 P -","- C45 H65 O9 P -","- C90 H130 O18 P2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.0414","0.0346","","","0.0792","0.0829","","","","","","1.045","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332066","9.392","0.0012","8.3861","0.0012","15.617","0.002","90","","92.332","0.002","90","","1229","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 Mo N2 O3 -","- C25 H32 Mo N2 O3 -","- C50 H64 Mo2 N4 O6 -","2","1","","Cross, Warren B.; Anderson, James C.; Wilson, Claire; Blake, Alexander J.","Molybdenum Oxo−Imido Aryloxide Complexes: Oxo Analogues of Olefin Metathesis Catalysts","Inorganic Chemistry","2006","45","11","4556","4561","10.1021/ic0521269","","","0.71073","MoKα","","0.025","0.0245","","","0.0613","0.0616","","","","","","1.07","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332107","11.0754","0.0005","17.8315","0.0008","11.7455","0.0006","90","","108.49","0.001","90","","2199.89","0.18","153","1","153","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H50 B N6 O2 S2 W -","- C47 H50 B N6 O2 S2 W -","- C94 H100 B2 N12 O4 S4 W2 -","2","1","","Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania","Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)","Inorganic Chemistry","2006","45","12","4791","4800","10.1021/ic052178y","","","0.71073","MoKα","","0.0283","0.0267","","","0.062","0.0625","","","","","","1.007","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332128","13.534","0.0011","15.2811","0.0014","13.5539","0.0011","90","","93.727","0.001","90","","2797.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H72 Ag2 I8 N2 Pb2 -","- C32 H72 Ag2 I8 N2 Pb2 -","- C64 H144 Ag4 I16 N4 Pb4 -","2","1","","Fan, Le-Qing; Wu, Li-Ming; Chen, Ling","Syntheses, Crystal Structures, and Properties of Heterometallic Iodoplumbates: Bicubane, Ribbon, and Chain Configurations","Inorganic Chemistry","2006","45","8","3149","3151","10.1021/ic052211g","","","0.71073","Molybdenum","","0.0415","0.0363","","","0.0828","0.085","","","","","","1.023","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332230","9.6431","0.0007","13.9031","0.0012","11.4677","0.0012","90","","99.851","0.009","90","","1514.8","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H31 F6 Fe N3 O12 S2 -","- C21 H31 F6 Fe N3 O12 S2 -","- C42 H62 F12 Fe2 N6 O24 S4 -","2","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0313","0.026","","","0.0638","0.0655","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332231","9.7266","0.0004","11.7644","0.0005","12.5504","0.0006","90","","92.7912","0.0017","90","","1434.41","0.11","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H27 F6 N3 O10 S2 Zn -","- C21 H27 F6 N3 O10 S2 Zn -","- C42 H54 F12 N6 O20 S4 Zn2 -","2","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0598","0.0503","","","0.1153","0.1225","","","","","","1.046","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332280","9.171","0.003","14.59","0.005","15.752","0.005","90","","101.126","0.0016","90","","2068.1","1.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","phosphine sulfide","Diphenyl[2-(phenylazo)phenyl]phosphine sulfide","","- C24 H19 N2 P S -","- C24 H19 N2 P S -","- C96 H76 N8 P4 S4 -","4","2","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0222","0.0218","","","0.0557","0.0561","","","","","","1.048","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332351","12.153","0.003","28.295","0.007","13.516","0.004","90","","115.801","0.004","90","","4184.4","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H77 F20 N P4 Pt3 -","- C88 H76 F20 N P4 Pt3 -","- C176 H152 F40 N2 P8 Pt6 -","2","1","","Forniés, Juan; Fortuño, Consuelo; Ibáñez, Susana; Martín, Antonio","From a Trinuclear Platinum(III) Phosphido Derivative to a Platinum(II) Cluster: Formation of a P−C Bond†","Inorganic Chemistry","2006","45","12","4850","4858","10.1021/ic0602695","","","0.71073","MoKα","","0.0535","0.0455","","","0.1012","0.1045","","","","","","1.012","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332360","15.782","0.0007","13.297","0.0006","21.129","0.0012","90","","94.314","0.0016","90","","4421.4","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H49 Cl4 Cu2 N8 O23.5 -","- C28 H37 Cl4 Cu2 N8 O23.5 -","- C112 H148 Cl16 Cu8 N32 O94 -","4","2","","Verdejo, Begoña; Aguilar, Juan; García-España, Enrique; Gaviña, Pablo; Latorre, Julio; Soriano, Conxa; Llinares, José M.; Doménech, Antonio","CO2Fixation by Cu2+and Zn2+Complexes of a Terpyridinophane Aza Receptor. Crystal Structures of Cu2+Complexes, pH-Metric, Spectroscopic, and Electrochemical Studies","Inorganic Chemistry","2006","45","9","3803","3815","10.1021/ic060278d","","","0.71073","MoKα","","0.1259","0.0749","","","0.1775","0.2152","","","","","","1.191","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332402","9.7823","0.0006","19.4732","0.0014","12.2177","0.001","90","","92.099","0.005","90","","2325.8","0.3","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Cs7 Ge H12 K O42 W10 -","- Cs6.3 Ge K0.7 O42 W10 -","- Cs12.6 Ge2 K1.4 O84 W20 -","2","1","","Nsouli, Nadeen H.; Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Synthesis and Structure of Dilacunary Decatungstogermanate, [γ-GeW10O36]8-","Inorganic Chemistry","2006","45","10","3858","3860","10.1021/ic0603252","","","0.71073","MoKα","","0.0809","0.0667","","","0.1698","0.1821","","","","","","1.026","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332506","9.5024","0.0007","18.733","0.001","14.092","0.001","90","","96.217","0.001","90","","2493.7","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chlorobis(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy) -[1,3,2,4]-diazadiphosphetidine)copper(I)","","- C44 H64 Cl Cu N4 O8 P4 -","- C44 H64 Cl Cu N4 O8 P4 -","- C88 H128 Cl2 Cu2 N8 O16 P8 -","2","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0393","0.0351","","","0.0774","0.0793","","","","","","0.999","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332507","9.607","0.001","18.694","0.002","14.084","0.002","90","","96.547","0.002","90","","2512.9","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bromobis(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy) -[1,3,2,4]-diazadiphosphetidine)copper(I)","","- C44 H64 Br Cu N4 O8 P4 -","- C44 H64 Br Cu N4 O8 P4 -","- C88 H128 Br2 Cu2 N8 O16 P8 -","2","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0499","0.0418","","","0.0811","0.0844","","","","","","0.979","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332514","10.6141","0.001","19.8178","0.0018","16.727","0.0015","90","","106.87","0.002","90","","3367.1","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H46 B10 N2 Ti -","- C29 H46 B10 N2 Ti -","- C116 H184 B40 N8 Ti4 -","4","2","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.1412","0.061","","","0.1373","0.1808","","","","","","0.963","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332603","9.2743","0.0014","7.6104","0.0011","11.8112","0.0018","90","","104.755","0.003","90","","806.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H21 Cd Cl2 N5 O5 -","- C9 H19 Cd Cl2 N5 O5 -","- C18 H38 Cd2 Cl4 N10 O10 -","2","1","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71073","MoKα","","0.0801","0.0682","","","0.1646","0.1752","","","","","","1.1","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332614","7.2672","0.0003","11.636","0.0005","19.6965","0.0008","90","","99.852","0.004","90","","1641","0.12","110","","110","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Mo8 N4 O26 -","- C14 H32 Mo8 N4 O26 -","- C28 H64 Mo16 N8 O52 -","2","1","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.0318","0.0211","","0.0412","0.0382","0.0382","","","","","","0.8085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332615","7.2685","0.0003","11.6423","0.0005","19.6887","0.0009","90","","99.948","0.004","90","","1641.05","0.12","110","","110","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Mo8 N4 O26 -","- C14 H32 Mo8 N4 O26 -","- C28 H64 Mo16 N8 O52 -","2","1","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.0333","0.0225","","0.0477","0.0438","0.0438","","","","","","0.8776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332622","7.1098","0.0012","8.9256","0.0016","13.823","0.002","90","","93.57","0.009","90","","875.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N O9 Re -","- C15 H15.917 N O9 Re -","- C30 H31.834 N2 O18 Re2 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Bayly, Simon R.; Patrick, Brian O.; Steele, Jennifer; Adam, Michael J.; Orvig, Chris","Glucosamine Conjugates of Tricarbonylcyclopentadienyl Rhenium(I) and Technetium(I) Cores","Inorganic Chemistry","2006","45","17","6979","6987","10.1021/ic0605672","","","0.71069","MoKα","","0.0312","0.023","","","0.0373","0.0385","","","","","","0.765","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332755","9.502","0.005","16.326","0.005","10.807","0.005","90","","94","0.05","90","","1672.4","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H50 N6 O2 Ti -","- C32 H50 N6 O2 Ti -","- C64 H100 N12 O4 Ti2 -","2","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71069","MoKα","","0.102","0.0662","","","0.1299","0.1634","","","","","","1.009","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332756","11.8179","0.0008","12.6276","0.0009","12.8169","0.0009","90","","98.651","0.002","90","","1890.9","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C38 H56 N6 O2 Ti -","- C38 H56 N6 O2 Ti -","- C76 H112 N12 O4 Ti2 -","2","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71073","MoKα","","0.064","0.0471","","0.1129","0.1012","0.1129","","","","","","0.9849","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332799","9.1842","0.0001","19.8044","0.0003","14.2977","0.0002","90","","101.851","0.001","90","","2545.14","0.06","200","","200","","","","","","","","?","6","P 1 21 1","P 2yb","4","","","","- C45 H54 Fe N8 O17 S2 -","- C45 H54 Fe N8 O17 S2 -","- C90 H108 Fe2 N16 O34 S4 -","2","1","","Warr, Rebecca J.; Willis, Anthony C.; Wild, S. Bruce","Inorganic Asymmetric Synthesis: Asymmetric Synthesis of a Two-Bladed Propeller, Octahedral Metal Complex","Inorganic Chemistry","2006","45","21","8618","8627","10.1021/ic060856q","","","0.71073","MoKα","","0.0461","0.0341","","0.0458","0.0401","0.0401","","","","","","1.1059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332871","9.1584","0.0007","9.8828","0.0008","14.2428","0.0012","90","","104.519","0.001","90","","1247.96","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl8 Cs5 O6 Pu -","- Cl8 Cs5 O6 Pu -","- Cl16 Cs10 O12 Pu2 -","2","1","","Wilson, Richard E.; Almond, Philip M.; Burns, Peter C.; Soderholm, L.","The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution","Inorganic Chemistry","2006","45","21","8483","8485","10.1021/ic060979a","","","0.71073","MoKα","","0.0217","0.0211","","","0.0542","0.0543","","","","","","1.046","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332994","13.6309","0.0011","11.5596","0.0007","16.6061","0.0012","90","","96.355","0.006","90","","2600.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H71 Mo2 N2 Ni O21.5 -","- C40 H60 Mo2 N2 Ni O21.25 -","- C80 H120 Mo4 N4 Ni2 O42.5 -","2","1","","Khatua, Snehadrinarayan; Stoeckli-Evans, Helen; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Helicity Induction through Hydrogen Bonding and Spontaneous Resolution of a Bimetallic Nickel Complex Coordinated to an Octahedral Metalloligand","Inorganic Chemistry","2006","45","24","9619","9621","10.1021/ic061226r","","","0.71073","MoKα","","0.0639","0.0519","","","0.1239","0.1323","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332995","13.699","0.002","11.691","0.002","16.783","0.003","90","","96.635","0.012","90","","2669.9","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H71 Mo2 N2 Ni O21.5 -","- C40 H60 Mo2 N2 Ni O21.5 -","- C80 H120 Mo4 N4 Ni2 O43 -","2","1","","Khatua, Snehadrinarayan; Stoeckli-Evans, Helen; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Helicity Induction through Hydrogen Bonding and Spontaneous Resolution of a Bimetallic Nickel Complex Coordinated to an Octahedral Metalloligand","Inorganic Chemistry","2006","45","24","9619","9621","10.1021/ic061226r","","","0.71073","MoKα","","0.069","0.0502","","","0.1319","0.147","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333003","6.2497","0.0013","9.7754","0.0019","8.3621","0.0014","90","","108.911","0.009","90","","483.29","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 I N2 -","- C7 H11 I N2 -","- C14 H22 I2 N4 -","2","1","","Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.","A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells","Inorganic Chemistry","2006","45","26","10407","10409","10.1021/ic061232n","","","0.71073","MoKα","","0.0207","0.0183","","","0.0385","0.0396","","","","","","1.067","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333012","8.4927","0.0001","17.2736","0.0002","13.006","0.0001","90","","103.685","0.0006","90","","1853.81","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Sp)-2-(diphenylphosphino)ferrocenecarboxaldehyde","","- C23 H19 Fe O P -","- C23 H19 Fe O P -","- C92 H76 Fe4 O4 P4 -","4","2","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0256","0.0243","","","0.0584","0.0594","","","","","","1.042","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333014","9.0782","0.0002","14.3355","0.0002","12.4391","0.0002","90","","105.508","0.001","90","","1559.89","0.05","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl Fe N O4 P Pd -","- C33 H33 Cl Fe N O4 P Pd -","- C66 H66 Cl2 Fe2 N2 O8 P2 Pd2 -","2","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0305","0.0265","","","0.0558","0.0576","","","","","","1.048","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333018","9.0837","0.0014","8.6975","0.0013","15.876","0.002","90","","97.064","0.003","90","","1244.8","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 Cl4 O2 Os2 -","- C20 H38 Cl4 O2 Os2 -","- C40 H76 Cl8 O4 Os4 -","2","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0449","0.0394","","","0.0831","0.0848","","","","","","0.961","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333098","8.3663","0.0005","8.3379","0.0005","11.3364","0.0008","90","","101.869","0.003","90","","773.89","0.09","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C12 H16 B N6 O3 Re -","- C12 H16 B N6 O3 Re -","- C24 H32 B2 N12 O6 Re2 -","2","1","","Lassen, Peter R.; Guy, Laure; Karame, Iyad; Roisnel, Thierry; Vanthuyne, Nicolas; Roussel, Christian; Cao, Xiaolin; Lombardi, Rosina; Crassous, Jeanne; Freedman, Teresa B.; Nafie, Laurence A.","Synthesis and Vibrational Circular Dichroism of Enantiopure Chiral Oxorhenium(V) Complexes Containing the Hydrotris(1-pyrazolyl)borate Ligand","Inorganic Chemistry","2006","45","25","10230","10239","10.1021/ic061418m","","x-ray","0.71073","MoKα","","0.0392","0.0352","","","0.0891","0.0905","","","","","","1.105","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333111","10.1411","0.0006","24.0087","0.0013","11.1545","0.0006","90","","102.462","0.001","90","","2651.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H45 Fe N2 O P2 S3 -","- C54 H45 Fe N2 O P2 S3 -","- C108 H90 Fe2 N4 O2 P4 S6 -","2","1","","Lu, Tsai-Te; Chiou, Show-Jen; Chen, Chun-Yu; Liaw, Wen-Feng","Mononitrosyl Tris(Thiolate) Iron Complex [Fe(NO)(SPh)3]-and Dinitrosyl Iron Complex [(EtS)2Fe(NO)2]-: Formation Pathway of Dinitrosyl Iron Complexes (DNICs) from Nitrosylation of Biomimetic Rubredoxin [Fe(SR)4]2-/1-(R = Ph, Et)","Inorganic Chemistry","2006","45","21","8799","8806","10.1021/ic061439g","","","0.71073","MoKα","","0.0815","0.0592","","","0.1535","0.1607","","","","","","0.969","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333119","12.0991","0.0004","16.7041","0.0006","13.6704","0.0004","90","","113.575","0.002","90","","2532.26","0.15","150","2","150","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C49 H44 Cu2 F12 N6 O5 P2 -","- C49 H44 Cu2 F12 N6 O5 P2 -","- C98 H88 Cu4 F24 N12 O10 P4 -","2","1","","Díez, Josefina; Gamasa, M. Pilar; Panera, María","Tetra-, Di-, and Mononuclear Copper(I) Complexes Containing (S,S)-iPr-pybox and (R,R)-Ph-pybox Ligands","Inorganic Chemistry","2006","45","25","10043","10045","10.1021/ic061453t","","","1.5418","CuKα","","0.0876","0.069","","","0.1833","0.2118","","","","","","1.102","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333148","9.8063","0.0012","14.4563","0.0018","12.8319","0.0012","90","","90.585","0.004","90","","1819","0.4","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H52 Co2 N12 Sb2 Se6 -","- C16 H52 Co2 N12 Sb2 Se6 -","- C32 H104 Co4 N24 Sb4 Se12 -","2","1","","Jia, Dingxian; Zhang, Yong; Zhao, Qianxin; Deng, Jie","Mixed-Valent Selenidoantimonates(III,V) with Transition-Metal Complexes as Counterions: Solvothermal Syntheses and Characterization of [M(dien)2]2Sb4Se9(M = Mn, Fe), [Co(dien)2]2Sb2Se6, and [Ni(dien)2]2Sb2Se5","Inorganic Chemistry","2006","45","24","9812","9817","10.1021/ic061520j","","","0.71073","MoKα","","0.0351","0.0317","","","0.0655","0.0675","","","","","","1.072","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333181","18.463","0.011","12.192","0.008","24.389","0.011","90","","99.902","0.019","90","","5408","5","173","2","95","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H78 Cl2 N3 Nb O3.5 P2 -","- C52 H78 Cl2 N3 Nb O3.5 P2 -","- C208 H312 Cl8 N12 Nb4 O14 P8 -","4","2","","Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex","Inorganic Chemistry","2006","45","26","10712","10721","10.1021/ic061642b","","","0.49595","synchrotron","","0.1156","0.0898","","","0.2345","0.2587","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4333206","10.0373","0.0007","12.0983","0.0008","14.3169","0.001","90","","109.168","0.004","90","","1642.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H19 B11 Br6 Cl6 N3 P3 -","- C7 H19 B11 Br6 Cl6 N3 P3 -","- C14 H38 B22 Br12 Cl12 N6 P6 -","2","1","","Zhang, Yun; Tham, Fook S.; Reed, Christopher A.","Phosphazene Cations","Inorganic Chemistry","2006","45","26","10446","10448","10.1021/ic062077f","","","0.71073","MoKα","","0.0327","0.0252","","","0.0502","0.0518","","","","","","0.984","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333227","10.52","0.002","6.802","0.0014","11.335","0.002","90","","97.84","0.03","90","","803.5","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 N4 O4 Re S -","- C14 H17 N4 O4 Re S -","- C28 H34 N8 O8 Re2 S2 -","2","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0271","0.0252","","","0.0564","0.0574","","","","","","1.034","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333228","9.648","0.0019","10.186","0.002","12.272","0.003","90","","106.36","0.03","90","","1157.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 N5 O6 Re S -","- C18 H30 N5 O6 Re S -","- C36 H60 N10 O12 Re2 S2 -","2","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0492","0.0416","","","0.093","0.0965","","","","","","1.043","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333324","13.259","0.003","13.256","0.003","17.905","0.004","90","","92.74","0.03","90","","3143.4","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Ru(η^5^-C~5~Me~5~){P^i^Pr~2~NC~6~H~10~NP^i^Pr~2~-κ^3^-P,P',N}] [B{C~8~H~3~F~6~}~4~]'","pentahapto-pentamethylcyclopentadienyl-{(R,R)-bis((diisopropylphosphino)amino) cyclohexane-κ^3^-P,P',N}ruthenium(II) tetrakis{3,5-bis(trifluoromethyl)phenyl} borate","","- C60 H67 B F24 N2 P2 Ru -","- C60 H67 B F24 N2 P2 Ru -","- C120 H134 B2 F48 N4 P4 Ru2 -","2","1","","Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro; Lledós, Agustí; Veilly, Edouard","Coordinatively Unsaturated Semisandwich Complexes of Ruthenium with Phosphinoamine Ligands and Related Species: A Complex Containing (R,R)-1,2-Bis((diisopropylphosphino)amino)cyclohexane in a New Coordination Form κ3P,P‘,N-η2-P,N","Inorganic Chemistry","2007","46","17","6958","6967","10.1021/ic700674c","","x-ray","0.71073","MoKα","","0.0408","0.0401","","","0.0869","0.0874","","","","","","1.047","","","","has coordinates,has disorder","194597","2020-10-21","18:00:00",""
"4333325","13.079","0.003","17.54","0.004","26.037","0.005","90","","93.51","0.03","90","","5962","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Ru(η^5^C~5~H~5~)(N~2~){(Κ^2^-P,P')-^i^Pr~2~PNH(C~6~H~10~)NHP^i^Pr~2~}] [B{(C~6~H~3~(CF~3~)~2~}~4~]","","","- C55 H57 B F24 N4 P2 Ru -","- C55 H57 B F24 N4 P2 Ru -","- C220 H228 B4 F96 N16 P8 Ru4 -","4","2","","Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro; Lledós, Agustí; Veilly, Edouard","Coordinatively Unsaturated Semisandwich Complexes of Ruthenium with Phosphinoamine Ligands and Related Species: A Complex Containing (R,R)-1,2-Bis((diisopropylphosphino)amino)cyclohexane in a New Coordination Form κ3P,P‘,N-η2-P,N","Inorganic Chemistry","2007","46","17","6958","6967","10.1021/ic700674c","","x-ray","0.71073","MoKα","","0.0613","0.06","","","0.1373","0.1382","","","","","","1.034","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333344","15.028","0.004","15.526","0.004","16.968","0.004","90","","114.692","0.004","90","","3597.1","1.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","05260m","","","- C44 H96 Cl12 Cu6 N8 S8 -","- C44 H96 Cl12 Cu6 N8 S8 -","- C88 H192 Cl24 Cu12 N16 S16 -","2","1","","York, John T.; Bar-Nahum, Itsik; Tolman, William B.","Structural Diversity in Copper−Sulfur Chemistry: Synthesis of Novel Cu/S Clusters through Metathesis Reactions","Inorganic Chemistry","2007","46","20","8105","8107","10.1021/ic700760p","","","0.71073","MoKα","","0.0358","0.0282","","","0.0522","0.0544","","","","","","1.001","","","","has coordinates,has disorder","179436","2020-10-21","18:00:00",""
"4333345","15.6678","0.001","14.2575","0.0009","26.5917","0.0016","90","","99.427","0.001","90","","5859.9","0.6","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","05288m","","","- C35 H70 Cl4 Cu3 F9 N6 O9 S5 -","- C35 H70 Cl4 Cu3 F9 N6 O9 S5 -","- C140 H280 Cl16 Cu12 F36 N24 O36 S20 -","4","2","","York, John T.; Bar-Nahum, Itsik; Tolman, William B.","Structural Diversity in Copper−Sulfur Chemistry: Synthesis of Novel Cu/S Clusters through Metathesis Reactions","Inorganic Chemistry","2007","46","20","8105","8107","10.1021/ic700760p","","","0.71073","MoKα","","0.064","0.0496","","","0.1122","0.1188","","","","","","1.027","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333346","8.7073","0.0013","21.205","0.003","19.464","0.003","90","","92.307","0.003","90","","3590.9","0.9","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","06193m","","","- C43 H94 Cl8 Cu4 F12 N8 S4 Sb2 -","- C43 H94 Cl8 Cu4 F12 N8 S4 Sb2 -","- C86 H188 Cl16 Cu8 F24 N16 S8 Sb4 -","2","1","","York, John T.; Bar-Nahum, Itsik; Tolman, William B.","Structural Diversity in Copper−Sulfur Chemistry: Synthesis of Novel Cu/S Clusters through Metathesis Reactions","Inorganic Chemistry","2007","46","20","8105","8107","10.1021/ic700760p","","","0.71073","MoKα","","0.0842","0.0613","","","0.1294","0.1382","","","","","","1.075","","","","has coordinates,has disorder","179436","2020-10-21","18:00:00",""
"4333347","12.503","0.005","12.391","0.005","13.242","0.008","90","","118","0.006","90","","1811.4","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","06214","","","- C22 H48 Cl6 Cu2 N4 S4 -","- C22 H48 Cl6 Cu2 N4 S4 -","- C44 H96 Cl12 Cu4 N8 S8 -","2","1","","York, John T.; Bar-Nahum, Itsik; Tolman, William B.","Structural Diversity in Copper−Sulfur Chemistry: Synthesis of Novel Cu/S Clusters through Metathesis Reactions","Inorganic Chemistry","2007","46","20","8105","8107","10.1021/ic700760p","","","0.71073","MoKα","","0.0404","0.0299","","","0.0667","0.0708","","","","","","1.013","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333352","7.1997","0.0008","10.6039","0.001","7.2604","0.0008","90","","98.537","0.006","90","","548.15","0.1","260","2","260","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H8 B4 N2 O12 -","- B4 H12 N2 O10.41 -","- B8 H24 N4 O20.82 -","2","1","","Ramachandran, P. Veeraraghavan; Gagare, Pravin D.","Preparation of Ammonia Borane in High Yield and Purity, Methanolysis, and Regeneration","Inorganic Chemistry","2007","46","19","7810","7817","10.1021/ic700772a","","","0.71073","MoKα","","0.0748","0.0637","","","0.1691","0.1797","","","","","","1.06","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333368","9.711","0.0002","12.275","0.0003","15.639","0.0004","90","","94.782","0.001","90","","1857.72","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H35 Ho N13 O7 W -","- C29 H35 Ho N13 O7 W -","- C58 H70 Ho2 N26 O14 W2 -","2","1","","Przychodzeń, Paweł; Pełka, Robert; Lewiński, Krzysztof; Supel, Justyna; Rams, Michał; Tomala, Krzysztof; Sieklucka, Barbara","Tuning of Magnetic Properties of Polynuclear Lanthanide(III)−Octacyanotungstate(V) Systems: Determination of Ligand-Field Parameters and Exchange Interaction","Inorganic Chemistry","2007","46","21","8924","8938","10.1021/ic700795q","","","0.7107","MoKα","","0.0271","0.0253","","","0.0561","0.057","","","","","","1.066","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333369","9.716","0.0002","12.248","0.0002","15.627","0.0002","90","","94.814","0.001","90","","1853.08","0.05","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H35 Er N13 O7 W -","- C29 H35 Er N13 O7 W -","- C58 H70 Er2 N26 O14 W2 -","2","1","","Przychodzeń, Paweł; Pełka, Robert; Lewiński, Krzysztof; Supel, Justyna; Rams, Michał; Tomala, Krzysztof; Sieklucka, Barbara","Tuning of Magnetic Properties of Polynuclear Lanthanide(III)−Octacyanotungstate(V) Systems: Determination of Ligand-Field Parameters and Exchange Interaction","Inorganic Chemistry","2007","46","21","8924","8938","10.1021/ic700795q","","","0.7107","MoKα","","0.0224","0.0214","","","0.0478","0.0482","","","","","","1.064","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333370","9.718","0.0001","12.211","0.0002","15.636","0.0002","90","","94.763","0.001","90","","1849.06","0.04","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H35 N13 O7 W Yb -","- C29 H33.383 N13 O7 W Yb -","- C58 H66.766 N26 O14 W2 Yb2 -","2","1","","Przychodzeń, Paweł; Pełka, Robert; Lewiński, Krzysztof; Supel, Justyna; Rams, Michał; Tomala, Krzysztof; Sieklucka, Barbara","Tuning of Magnetic Properties of Polynuclear Lanthanide(III)−Octacyanotungstate(V) Systems: Determination of Ligand-Field Parameters and Exchange Interaction","Inorganic Chemistry","2007","46","21","8924","8938","10.1021/ic700795q","","","0.7107","MoKα","","0.025","0.0243","","","0.0593","0.0597","","","","","","1.063","","","","has coordinates,has disorder","179436","2020-10-21","18:00:00",""
"4333416","9.2784","0.0003","16.5598","0.0009","11.3633","0.0006","90","","112.61","0.01","90","","1611.76","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl N9 Ni2 O8 -","- C27 H38 Cl N9 Ni2 O8 -","- C54 H76 Cl2 N18 Ni4 O16 -","2","1","","Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard","Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study","Inorganic Chemistry","2007","46","21","9003","9016","10.1021/ic701073j","","","0.71073","MoKα","","0.0673","0.0484","","","0.0761","0.082","","","","","","1.053","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333420","9.3049","0.0003","16.6595","0.0006","11.3975","0.0004","90","","112.472","0.005","90","","1632.63","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl N9 Ni O8 Zn -","- C27 H38 Cl N9 Ni O8 Zn -","- C54 H76 Cl2 N18 Ni2 O16 Zn2 -","2","1","","Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard","Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study","Inorganic Chemistry","2007","46","21","9003","9016","10.1021/ic701073j","","","0.71073","MoKα","","0.0287","0.0254","","","0.0567","0.0581","","","","","","1.022","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333574","10.821","0.002","20.111","0.004","15.845","0.003","90","","94.334","0.001","90","","3438.3","1.1","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","Au2(dpp-pentane)2I2.3CHCl3","","","- C61 H62 Au2 Cl9 I2 P4 -","- C61 H62 Au2 Cl9 I2 P4 -","- C122 H124 Au4 Cl18 I4 P8 -","2","1","","Sang Ho Lim; Jennifer C. Schmitt; Jason Shearer; Jianhua Jia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n= 3-6)","Inorganic Chemistry","2013","52","","823","831","10.1021/ic301954n","","","0.71073","MoKα","","0.0233","0.0221","","","0.0559","0.0563","","","","","","0.986","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333748","7.5173","0.0002","25.0725","0.0006","17.4342","0.0004","90","","98.219","0.002","90","","3252.2","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","K[CpCr(CO)2(IMe)]","","","- C60 H76 Cr4 K4 N8 O11 -","- C60 H76 Cr4 K4 N8 O11 -","- C120 H152 Cr8 K8 N16 O22 -","2","1","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.0485","0.0389","","","0.091","0.0949","","","","","","1.023","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333806","10.409","0.011","5.664","0.006","16.46","0.019","90","","94.059","0.019","90","","968","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H8 Ag4 As2 N2 O12 -","- C12 H8 Ag4 As2 N2 O12 -","- C24 H16 Ag8 As4 N4 O24 -","2","1","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.0988","0.0668","","","0.1256","0.1453","","","","","","1.039","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333879","7.4088","0.0015","12.268","0.003","34.974","0.007","90","","96.04","0.03","90","","3161.2","1.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Fe Ge3 K2 Se8 -","- Fe Ge3 K2 Se8 -","- Fe8 Ge24 K16 Se64 -","8","4","","Kai Feng; Wendong Wang; Ran He; Lei Kang; Wenlong Yin; Zheshuai Lin; Jiyong Yao; Youguo Shi; Yicheng Wu","K2FeGe3Se8: A New Antiferromagnetic Iron Selenide","Inorganic Chemistry","2013","52","","2022","2028","10.1021/ic302394e","","","0.71073","MoKα","","0.1169","0.0799","","","0.1788","0.203","","","","","","0.999","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333888","10.132","0.0002","19.6549","0.0004","13.9636","0.0004","90","","108.054","0.002","90","","2643.85","0.11","99.9","0.4","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H73 N Ni O2 P2 -","- C61 H73 N Ni O2 P2 -","- C122 H146 N2 Ni2 O4 P4 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","1.5418","CuKα","","0.028","0.0274","","","0.0706","0.0712","","","","","","1.029","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333930","8.9815","0.0002","22.5288","0.0005","12.4191","0.0003","90","","108.848","0.001","90","","2378.17","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[tetrakis[mu-(trimethylacetato)]bis(6-chloro-2aminopurine-kN3)dirhodium(II)] -dimethylformamide (1/2)""","","- C36 H58 Cl2 N12 O10 Rh2 -","- C36 H58 Cl2 N12 O10 Rh2 -","- C72 H116 Cl4 N24 O20 Rh4 -","2","1","","Pilar Amo-Ochoa; Óscar Castillo; Ross W. Harrington; Félix Zamora; Andrew Houlton","Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3","Inorganic Chemistry","2013","52","","2174","2181","10.1021/ic302602c","","","1.54178","CuKα","","0.0594","0.0467","","","0.1202","0.1387","","","","","","1.255","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333967","10.5","0.0006","15.7795","0.0012","12.9565","0.0007","90","","103.844","0.006","90","","2084.3","0.2","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H61 F6 Mo N O7 P4 S2 -","- C28 H61 F6 Mo N O7 P4 S2 -","- C56 H122 F12 Mo2 N2 O14 P8 S4 -","2","1","","Ameli Dreher; Sven Meyer; Christian Näther; Anne Westphal; Henning Broda; Biprajit Sarkar; Wolfgang Kaim; Philipp Kurz; Felix Tuczek","Reduction and Protonation of Mo(IV) Imido Complexes with depe Coligands: Generation and Reactivity of a S=1/2 Mo(III) Alkylnitrene Intermediate","Inorganic Chemistry","2013","52","","2335","2352","10.1021/ic301828e","","","0.71073","MoKα","","0.0412","0.0374","","","0.0918","0.0934","","","","","","1.085","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4334007","10.1046","0.0009","9.942","0.0008","22.717","0.002","90","","99.837","0.002","90","","2248.6","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ag F3 N6 O4 S -","- C48 H48 Ag F3 N6 O4 S -","- C96 H96 Ag2 F6 N12 O8 S2 -","2","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0824","0.067","","","0.1781","0.1898","","","","","","1.085","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334018","9.6503","0.0002","14.9612","0.0002","13.6574","0.0002","90","","108.785","0.002","90","","1866.82","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H56 Ce N4 O10 P4 -","- C24 H56 Ce N4 O10 P4 -","- C48 H112 Ce2 N8 O20 P8 -","2","1","","Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung","Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-","Inorganic Chemistry","2013","52","","2556","2563","10.1021/ic302567e","","","1.54178","CuKα","","0.0534","0.0508","","","0.1196","0.1206","","","","","","1.017","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334055","11.0517","0.0004","30.978","0.0011","21.1989","0.0007","90","","98.685","0.002","90","","7174.4","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C121 H91 N31 Ni3 O8 W2 -","- C121 H91 N31 Ni3 O8 W2 -","- C242 H182 N62 Ni6 O16 W4 -","2","1","","Nayanmoni Gogoi; Mehrez Thlijeni; Carine Duhayon; Jean-Pascal Sutter","Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex","Inorganic Chemistry","2013","52","","2283","2285","10.1021/ic3027368","","","0.71073","MoKα","","0.0609","0.0563","","0.0566","0.0543","0.0528","","","","","","1.1078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334073","10.4633","0.0011","15.6954","0.0016","13.1984","0.0012","90","0.005","106.125","0.004","90","0.005","2082.2","0.4","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H33 B4 F16 N9 O6 Zn2 -","- C29 H33 B4 F16 N9 O6 Zn2 -","- C58 H66 B8 F32 N18 O12 Zn4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71069","MoKα","","0.0415","0.0388","","","0.0876","0.0901","","","","","","1.091","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334089","13.112","0.002","21.904","0.004","13.254","0.002","90","","96.942","0.003","90","","3778.7","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H69 Cl2 La Li2 N6 O6 -","- C54 H69 Cl2 La Li2 N6 O6 -","- C108 H138 Cl4 La2 Li4 N12 O12 -","2","1","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.1412","0.1126","","","0.2993","0.3334","","","","","","1.114","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334198","9.1459","0.0006","16.5341","0.0011","12.1761","0.0008","90","","92.818","0.001","90","","1839","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Fe(ditox)3LiTHF","","","- C34 H65 Fe Li O4 -","- C34.072 H69.608 Fe Li O4 -","- C68.144 H139.216 Fe2 Li2 O8 -","2","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0641","0.0461","","","0.1085","0.1204","","","","","","1.034","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334279","19.386","0.003","29.357","0.005","29.755","0.005","90","","90.469","0.004","90","","16933","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C658 H826 Ag8 Au24 Cl20 O63 P24 -","- C658 H826 Ag8 Au24 Cl20 O63 P24 -","- C658 H826 Ag8 Au24 Cl20 O63 P24 -","1","0.5","","Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen","Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters","Inorganic Chemistry","2013","52","","3663","3673","10.1021/ic302105a","","","0.71073","MoKα","","0.0467","0.0357","","","0.0799","0.0827","","","","","","1.019","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334332","11.024","0.005","11.684","0.005","24.933","0.01","90","","97.362","0.007","90","","3185","2","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H40 Co F3 N2 O7 S -","- C31 H40 Co F3 N2 O7 S -","- C124 H160 Co4 F12 N8 O28 S4 -","4","2","","Takuya Kurahashi; Hiroshi Fujii","Unique Ligand-Radical Character of an Activated Cobalt Salen Catalyst That Is Generated by Aerobic Oxidation of a Cobalt(II) Salen Complex","Inorganic Chemistry","2013","52","","3908","3919","10.1021/ic302677f","","","0.7107","MoKα","","","0.0714","","","","0.1918","","","","","","1.045","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334334","5.1721","0.001","9.773","0.002","9.867","0.002","90","","102.08","0.02","90","","487.7","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H11 Cu N O7 S -","- C5 H11 Cu N O7 S -","- C10 H22 Cu2 N2 O14 S2 -","2","1","","Yan-Yan Yin; Yan-Li Zhao; Jian-Gong Ma; Xiao-Chang Cao; Peng Cheng","Synthesis and Chirality Control of Bulk Crystals and Nanocrystals: From a Right-Handed Nonpolar Chain to a Left-Handed Polar Chain","Inorganic Chemistry","2013","52","","3738","3743","10.1021/ic302711b","","","0.71073","MoKα","","0.1108","0.098","","","0.2289","0.2389","","","","","","1.018","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334427","9.0545","0.0005","17.7259","0.0007","10.9172","0.0005","90","","96.954","0.0016","90","","1739.31","0.14","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H30 Cu F6 N4 O7 S2 -","- C28 H28 Cu F6 N4 O7 S2 -","- C56 H56 Cu2 F12 N8 O14 S4 -","2","1","","Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura","Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand","Inorganic Chemistry","2013","52","","4229","4237","10.1021/ic301949n","","","0.71075","MoKα","","","0.0293","","","","0.0817","","","","","","1.047","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334443","6.901","0.009","13.19","0.02","6.908","0.01","90","","91.836","0.017","90","","628.5","1.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- As F12 Li Xe3 -","- As F12 Li Xe3 -","- As2 F24 Li2 Xe6 -","2","1","","Gašper Tavčar; Boris Žemva","[Li(XeF2)n](AF6) (A = P, As, Ru, Ir), the First Xenon(II) Compounds of Lithium. Synthesis, Raman Spectrum, and Crystal Structure of [Li(XeF2)3](AsF6)","Inorganic Chemistry","2013","52","","4319","4323","10.1021/ic302323j","","","0.71069","MoKα","","0.0531","0.0459","","","0.1209","0.1324","","","","","","1.06","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334545","9.163","0.003","4.794","0.003","16.105","0.01","90","","105.35","0.04","90","","682.2","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H17 Ag2 N3 O5 S2 -","- C6 H17 Ag2 N3 O5 S2 -","- C12 H34 Ag4 N6 O10 S4 -","2","1","","Bonnie O. Leung; Farideh Jalilehvand; Vicky Mah; Masood Parvez; Qiao Wu","Silver(I) Complex Formation with Cysteine, Penicillamine, and Glutathione","Inorganic Chemistry","2013","52","","4593","4602","10.1021/ic400192c","","","0.71073","MoKα","","0.0379","0.0325","","","0.0753","0.0786","","","","","","1.06","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334583","8.1693","0.0017","10.479","0.002","10.576","0.002","90","","91.237","0.002","90","","905.2","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cu N6 Pt S4 -","- C10 H16 Cu N6 Pt S4 -","- C20 H32 Cu2 N12 Pt2 S8 -","2","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0303","0.0271","","0.0311","0.0302","0.0301","","","","","","0.9699","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334592","4.0107","0.0008","3.838","0.0008","14.458","0.003","90","","97.97","0.03","90","","220.4","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Mn0.67 Si7.55 Yb4 -","- Mn0.674 Si7.554 Yb4 -","- Mn0.674 Si7.554 Yb4 -","1","0.5","","Sebastian C. Peter; Christos D. Malliakas; Mercouri G. Kanatzidis","Structure and Unusual Magnetic Properties of YbMn0.17Si1.88","Inorganic Chemistry","2013","52","","4909","4915","10.1021/ic3024925","","","0.71073","MoKα","","0.0337","0.0296","","","0.072","0.0742","","","","","","1.143","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334649","12.8933","0.0003","19.5901","0.0006","17.0399","0.0005","90","","97.881","0.002","90","","4263.3","0.2","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C83 H68 Ag2 Cl4 F6 O8 P6 Pt -","- C82 H66 Ag2 Cl2 F6 O8 P6 Pt -","- C164 H132 Ag4 Cl4 F12 O16 P12 Pt2 -","2","1","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0474","0.0378","","","0.0811","0.0866","","","","","","0.88","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334728","11.2423","0.0009","8.1136","0.0007","31.476","0.003","90","","90","","90","","2871.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H30 Fe N4 O2 -","- C16 H30 Fe N4 O2 -","- C96 H180 Fe6 N24 O12 -","6","3","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0798","0.0792","","","0.2792","0.2796","","","","","","2.567","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334729","9.3866","0.0003","10.9572","0.0003","16.3408","0.0005","90","","91.475","0.003","90","","1680.11","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H30 F6 N6 O8 Ru S4 -","- C25 H30 F6 N6 O8 Ru S4 -","- C50 H60 F12 N12 O16 Ru2 S8 -","2","1","","Vivienne Leigh; Wadi Ghattas; Ralte Lalrempuia; Helge Müller-Bunz; Mary T. Pryce; Martin Albrecht","Synthesis, Photo-, and Electrochemistry of Ruthenium Bis(bipyridine) Complexes Comprising a N-heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","5395","5402","10.1021/ic400347r","","","0.71073","MoKα","","0.0357","0.0335","","","0.0814","0.0829","","","","","","1.063","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334749","10.8605","0.0002","19.3658","0.0004","23.801","0.0005","90","","93.267","0.0012","90","","4997.74","0.17","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H71.5 Cl4 N2.5 Ni O8 P2 -","- C46 H71.5 Cl4 N2.5 Ni O8 P2 -","- C184 H286 Cl16 N10 Ni4 O32 P8 -","4","2","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.1142","0.0692","","","0.1601","0.1868","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334880","11.2921","0.0003","18.1915","0.0004","14.2311","0.0004","90","","113.226","0.001","90","","2686.44","0.12","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H84 Ce O7 -","- C58 H84 Ce O7 -","- C116 H168 Ce2 O14 -","2","1","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0585","0.0381","","","0.0634","0.068","","","","","","0.986","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4335045","12.0686","0.0013","17.212","0.0019","13.7659","0.0015","90","","106.286","0.002","90","","2744.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H60 N12 O10 -","- C58 H44 N12 O6 -","- C116 H88 N24 O12 -","2","1","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0941","0.0545","","","0.1231","0.1365","","","","","","1.011","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335108","10.0553","0.0006","23.8161","0.0014","14.3948","0.0009","90","","103.025","0.001","90","","3358.5","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H54 Mn5 O65 Sb6 V4 -","- C24 H12 Mn5 O65 Sb6 V4 -","- C48 H24 Mn10 O130 Sb12 V8 -","2","1","","Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson","Antimony Tartrate Transition-Metal-Oxo Chiral Clusters","Inorganic Chemistry","2013","52","","6610","6616","10.1021/ic4006345","","","0.71073","MoKα","","0.0717","0.0463","","","0.0665","0.072","","","","","","0.964","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335139","10.323","0.003","9.456","0.003","13.37","0.004","90","","110.902","0.004","90","","1219.2","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 O P S4 W -","- C22 H25 O P S4 W -","- C44 H50 O2 P2 S8 W2 -","2","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.017","0.0167","","","0.0413","0.0415","","","","","","0.807","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335147","18.5335","0.0013","9.9638","0.001","21.866","0.003","90","","114.207","0.009","90","","3682.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H36 O2 P2 S2 W -","- C42 H36 O2 P2 S2 W -","- C168 H144 O8 P8 S8 W4 -","4","2","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0426","0.0377","","","0.0911","0.0942","","","","","","1.062","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335203","9.3139","0.0003","16.3035","0.0005","10.4467","0.0003","90","","103.507","0.002","90","","1542.45","0.08","100","2","100","0.1","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C30 H33 Fe2 O8 P W2 -","- C30 H33 Fe2 O8 P W2 -","- C60 H66 Fe4 O16 P2 W4 -","2","1","","M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega","Heterometallic Derivatives of the Unsaturated Ditungsten Hydride [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2]","Inorganic Chemistry","2013","52","","7068","7077","10.1021/ic400602y","","x-ray","0.71073","MoKα","","0.03","0.0285","","","0.0668","0.0676","","","","","","1.029","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335289","9.6672","0.0005","17.3698","0.0012","14.6146","0.0008","90","","91.36","0.004","90","","2453.4","0.3","150","0.02","150","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H74 I2 N2 O4 U -","- C44 H74 I2 N2 O4 U -","- C88 H148 I4 N4 O8 U2 -","2","1","","Ellen M. Matson; Stacey R. Opperwall; Phillip E. Fanwick; Suzanne C. Bart","""Oxidative Addition"" of Halogens to Uranium(IV) Bis(amidophenolate) Complexes","Inorganic Chemistry","2013","52","","7295","7304","10.1021/ic4009812","","","1.54184","CU-Kα","","0.071","0.07","","","0.19","0.191","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335335","12.5569","0.0003","14.859","0.0003","20.3832","0.0004","90","","104.317","0.0019","90","","3685.04","0.14","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H29 F12 N7 P2 Ru -","- C35 H29 F12 N7 P2 Ru -","- C140 H116 F48 N28 P8 Ru4 -","4","2","","Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard","Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study","Inorganic Chemistry","2013","52","","7448","7459","10.1021/ic400263r","","","0.71073","MoKα","","0.0377","0.0321","","","0.0729","0.0767","","","","","","1.023","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335392","17.1226","0.0015","8.30683","0.00064","9.75239","0.00098","90","","96.502","0.006","90","","1378.2","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O Pt -","- C16 H12 N2 O Pt -","- C64 H48 N8 O4 Pt4 -","4","2","","Antonio Zucca; Diletta Cordeschi; Luca Maidich; Maria Itria Pilo; Elisabetta Masolo; Sergio Stoccoro; Maria Agostina Cinellu; Simona Galli","Rollover Cyclometalation with 2-(2'-Pyridyl)quinoline","Inorganic Chemistry","2013","52","","7717","7731","10.1021/ic400908f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335419","8.7918","0.0019","5.902","0.0013","12.126","0.003","90","","90.288","0.004","90","","629.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","","Wei-Hua Ding; Wei, Cao; Xiang-Jun Zheng; De-Cai Fang; Wing-Tak Wong; Lin-Pei Jin","A Highly Selective Fluorescent Chemosensor for AlIII Ion and Fluorescent Species Formed in the Solution","Inorganic Chemistry","2013","52","","7320","7322","10.1021/ic401028u","","","0.71073","MoKα","","0.0468","0.0387","","","0.0908","0.0959","","","","","","1.049","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335454","14.4077","0.0003","11.9085","0.0003","14.8739","0.0003","90","","95.103","0.001","90","","2541.86","0.1","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H60 Cu4 I4 P4 -","- C40 H60 Cu4 I4 P4 -","- C80 H120 Cu8 I8 P8 -","2","1","","Antony Lapprand; Mathieu Dutartre; Naïma Khiri; Etienne Levert; Daniel Fortin; Yoann Rousselin; Armand Soldera; Sylvain Jugé; Pierre D. Harvey","Luminescent P-Chirogenic Copper Clusters","Inorganic Chemistry","2013","52","","7958","7967","10.1021/ic400498j","","","0.71073","MoKα","","0.0468","0.041","","","0.081","0.0856","","","","","","1.138","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335457","9.9318","0.0008","14.4156","0.0013","11.6055","0.0011","90","","94.726","0.003","90","","1655.9","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H52 B2 Cl2 P2 Pt -","- C30 H52 B2 Cl2 P2 Pt -","- C60 H104 B4 Cl4 P4 Pt2 -","2","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Diboran(4)yl Platinum(II) Complexes","Inorganic Chemistry","2013","52","","7822","7824","10.1021/ic400641a","","","0.71073","MoKα","","0.0112","0.0108","","","0.0253","0.0254","","","","","","1.005","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335459","10.2358","0.0008","14.211","0.0012","11.9534","0.001","90","","90.376","0.004","90","","1738.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H52 B2 I2 P2 Pt -","- C30 H52 B2 I2 P2 Pt -","- C60 H104 B4 I4 P4 Pt2 -","2","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Diboran(4)yl Platinum(II) Complexes","Inorganic Chemistry","2013","52","","7822","7824","10.1021/ic400641a","","","0.71073","MoKα","","0.0185","0.0171","","","0.0439","0.0455","","","","","","1.118","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335474","7.6066","0.0002","8.1217","0.0002","9.9237","0.0003","90","","108.348","0.002","90","","581.9","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Europium(II) Borate","","","- B8 Eu O15 -","- B8 Eu O15 -","- B16 Eu2 O30 -","2","1","","Matthew J. Polinski; Justin N. Cross; Eric M. Villa; Jian Lin; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Synthesis of Divalent Europium Borate via in Situ Reductive Techniques","Inorganic Chemistry","2013","52","","8099","8105","10.1021/ic400781x","","","0.71073","MoKα","","0.0187","0.0177","","","0.0452","0.0455","","","","","","1.189","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335670","10.42","0.1","12.7","0.14","16.65","0.19","90","","104.19","0.16","90","","2136","4","93","1","93","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H55 Co Mn N11 O10 -","- C33 H39 Co Mn N11 O10 -","- C66 H78 Co2 Mn2 N22 O20 -","2","1","","Ryuta Ishikawa; Ryo Miyamoto; Hiroyuki Nojiri; Brian K. Breedlove; Masahiro Yamashita","Slow Relaxation of the Magnetization of an MnIII Single Ion","Inorganic Chemistry","2013","52","","8300","8302","10.1021/ic401351w","","","0.71075","MoKα","","0.12","0.071","","","0.1524","0.183","","","","","","1.017","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335686","11.3789","0.0003","18.0065","0.0004","16.6694","0.0004","90","","109.518","0.001","90","","3219.2","0.14","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 B F15 N P2 -","- C30 H29 B F15 N P2 -","- C120 H116 B4 F60 N4 P8 -","4","2","","Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp","NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture","Inorganic Chemistry","2013","52","","8312","8314","10.1021/ic401498r","","","0.71073","MoKα","","0.0746","0.0535","","","0.133","0.1473","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335688","8.9708","0.0017","17.477","0.004","10.599","0.002","90","","110.448","0.011","90","","1557","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 B F14 N P2 -","- C30 H28 B F14 N P2 -","- C60 H56 B2 F28 N2 P4 -","2","1","","Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp","NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture","Inorganic Chemistry","2013","52","","8312","8314","10.1021/ic401498r","","","0.71073","MoKα","","0.1511","0.0653","","","0.0903","0.1177","","","","","","0.988","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335728","11.4408","0.0019","20.2715","0.0004","19.0446","0.0013","90","","106.297","0.01","90","","4239.4","0.8","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H92 Cu2 N12 O20 -","- C68 H92 Cu2 N12 O20 -","- C136 H184 Cu4 N24 O40 -","2","1","","Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger","Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and ""Boxes"": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure","Inorganic Chemistry","2013","52","","9327","9337","10.1021/ic400829d","","","1.54178","Copper","","0.0971","0.0724","","","0.1867","0.2287","","","","","","1.097","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335761","10.1424","0.0011","13.8621","0.0014","10.6833","0.0011","90","","111.838","0.002","90","","1394.2","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H10 Br4 F12 N4 Ni -","- C22 H10 Br4 F12 N4 Ni -","- C44 H20 Br8 F24 N8 Ni2 -","2","1","","Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton","Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II)","Inorganic Chemistry","2013","52","","9511","9521","10.1021/ic4011746","","","0.71073","MoKα","","0.0613","0.0451","","0.1091","0.1044","0.1091","","","","","","1.0001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335788","12.7141","0.0003","12.5924","0.0003","14.5253","0.0003","90","","97.465","0.001","90","","2305.81","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Au N3 P -","- C25 H27 Au N3 P -","- C100 H108 Au4 N12 P4 -","4","2","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0174","0.016","","","0.0337","0.0341","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335873","9.0674","0.0006","6.565","0.0005","11.2571","0.0008","90","","95.291","0.001","90","","667.25","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 Cs N O4 -","- C15 H10 Cs N O4 -","- C30 H20 Cs2 N2 O8 -","2","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0237","0.0233","","","0.0546","0.0548","","","","","","1.096","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335881","8.705","0.0005","6.6081","0.0004","11.1731","0.0007","90","","99.1048","0.001","90","","634.62","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 K N O5 -","- C15 H10 K N O5 -","- C30 H20 K2 N2 O10 -","2","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0318","0.0311","","","0.0819","0.0824","","","","","","1.102","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335882","9.2965","0.0012","6.6108","0.0009","11.2603","0.0015","90","","99.668","0.002","90","","682.2","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 Cs N O5 -","- C15 H10 Cs N O5 -","- C30 H20 Cs2 N2 O10 -","2","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0242","0.0233","","","0.0552","0.0557","","","","","","1.065","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4336076","8.8235","0.0002","13.1861","0.0003","18.6756","0.0004","90","","93.768","0.001","90","","2168.16","0.08","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H38 F12 N6 O P2 Ru -","- C46 H38 F12 N6 O P2 Ru -","- C92 H76 F24 N12 O2 P4 Ru2 -","2","1","","Nattawut Kaveevivitchai; Lars Kohler; Ruifa Zong; Maya El Ojaimi; Nirja Mehta; Randolph P. Thummel","A Ru(II) Bis-terpyridine-like Complex that Catalyzes Water Oxidation: The Influence of Steric Strain","Inorganic Chemistry","2013","52","","10615","10622","10.1021/ic4016383","","","1.54178","CuKα","","0.0361","0.0354","","","0.0919","0.0928","","","","","","1.025","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336166","8.4009","0.0006","8.0369","0.0006","22.4435","0.0016","90","","95.376","0.001","90","","1508.66","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 O7 Ru -","- C31 H41 O7 Ru -","- C62 H82 O14 Ru2 -","2","1","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0296","0.0276","","","","0.072","","","","","","1.057","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336237","8.85709","0.00018","10.5712","0.0002","10.0588","0.0002","90","","91.029","0.0018","90","","941.65","0.03","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethylammonium 12-cyano-1-carba-closo-dodecaborate (Et4NCB11H11CN)","","- C10 H31 B11 N2 -","- C10 H31 B11 N2 -","- C20 H62 B22 N4 -","2","1","","Aaron J. Rosenbaum; Douglas H. Juers; Marcus A. Juhasz","Copper-Promoted Cyanation of a Boron Cluster: Synthesis, X-ray Structure, and Reactivity of 12-CN-closo-CHB11H10-","Inorganic Chemistry","2013","52","","10717","10719","10.1021/ic4015306","","","1.5418","CuKα","","0.0577","0.0503","","","","0.1446","","","","","","0.9778","","","","has coordinates,has Fobs","179465","2020-10-21","18:00:00",""
"4336250","8.5002","0.0002","24.2243","0.0005","12.2503","0.0002","90","","101.345","0.001","90","","2473.19","0.09","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H46 Ag F3 Ir2 N2 O3 S -","- C43 H46 Ag F3 Ir2 N2 O3 S -","- C86 H92 Ag2 F6 Ir4 N4 O6 S2 -","2","1","","Christopher R. Turlington; Daniel P. Harrison; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents","Inorganic Chemistry","2013","52","","11351","11360","10.1021/ic4016405","","","1.54184","CuKα","","0.036109","0.035448","","","","0.094271","","","","","","1.04332","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336284","6.3588","0.001","17.939","0.003","28.954","0.005","90","","95.088","0.007","90","","3289.8","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-trimethylsilyl-2,6-diisopropylphenylaniline","","- C15 H27 N Si -","- C15 H27 N Si -","- C120 H216 N8 Si8 -","8","4","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.1067","0.0646","","","0.1405","0.1535","","","","","","1.031","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336294","9.7403","0.0003","17.414","0.0006","15.9047","0.0005","90","","103.603","0.002","90","","2622.04","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dichloro-2,4-bis(2,6-disopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane","","- C24 H34 Cl2 N2 P2 -","- C24 H34 Cl2 N2 P2 -","- C96 H136 Cl8 N8 P8 -","4","2","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0658","0.0483","","","0.096","0.1043","","","","","","1.048","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336296","9.915","0.0003","14.6355","0.0004","12.0346","0.0003","90","","90.437","0.002","90","","1746.3","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dichloro-2,4-bis(triphenylmethyl)-cyclo-1,3-diphospha-2,4-diazane dichloromethane solvate","","- C39 H32 Cl4 N2 P2 -","- C39 H32 Cl4 N2 P2 -","- C78 H64 Cl8 N4 P4 -","2","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0447","0.0326","","","0.0636","0.0665","","","","","","1.034","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336309","9.3208","0.0003","14.9396","0.0006","9.7467","0.0004","90","","115.511","0.001","90","","1224.89","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl3 Ga N -","- C23 H35 Cl3 Ga N -","- C46 H70 Cl6 Ga2 N2 -","2","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0234","0.0211","","","0.0476","0.0481","","","","","","0.937","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336333","10.729","0.003","20.878","0.003","12.305","0.002","90","","100.01","0.02","90","","2714.4","1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H44 Cl Co N P2 Si -","- C22 H44 Cl Co N P2 Si -","- C88 H176 Cl4 Co4 N4 P8 Si4 -","4","2","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.1889","0.1012","","","0.2381","0.2818","","","","","","1.039","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336347","12.0896","0.0005","23.3404","0.0012","21.6023","0.0011","90","","97.579","0.003","90","","6042.4","0.5","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68.5 H77.5 F6 O4.75 P5 Ru -","- C63 H61 O2 P4 Ru -","- C252 H244 O8 P16 Ru4 -","4","2","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.1243","0.0703","","","0.1421","0.1625","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336348","12.0349","0.0001","23.1591","0.0003","21.533","0.0003","90","","97.339","0.001","90","","5952.46","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64.88 H68.5 F6 O3.88 P5 Ru -","- C63 H61 O2 P4 Ru -","- C252 H244 O8 P16 Ru4 -","4","2","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.0402","0.0315","","","0.0667","0.0697","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336351","11.3239","0.0002","19.5588","0.0004","12.8717","0.0004","90","","116.088","0.001","90","","2560.4","0.11","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 F6 O2 P5 Ru -","- C56 H55 F6 O2 P5 Ru -","- C112 H110 F12 O4 P10 Ru2 -","2","1","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.058","0.0423","","","0.0819","0.0889","","","","","","1.02","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336358","13.72","0.0012","13.5181","0.0012","51.965","0.005","90","","92.2338","0.0019","90","","9630.5","1.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C69 H48 Ir P3 -","- C69 H48 Ir P3 -","- C414 H288 Ir6 P18 -","6","3","","Leen E. E. Broeckx; Wylliam Delaunay; Camille Latouche; Martin Lutz; Abdou Boucekkine; Muriel Hissler; Christian Müller","C-H Activation of 2,4,6-Triphenylphosphinine: Synthesis and Characterization of the First Homoleptic Phosphinine-Iridium(III) Complex fac-[Ir(C^P)3]","Inorganic Chemistry","2013","52","","10738","10740","10.1021/ic401933m","","","0.71073","MoKα","","0.0503","0.0401","","","0.0762","0.0785","","","","","","1.023","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336368","9.665","0.004","14.527","0.005","9.866","0.004","90","","117.471","0.006","90","","1229","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O2 P2 -","- C28 H27 N O2 P2 -","- C56 H54 N2 O4 P4 -","2","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0309","0.0263","","","0.0583","0.059","","","","","","1.042","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336484","11.6515","0.0003","7.1578","0.0002","17.3543","0.0004","90","","94.349","0.002","90","","1443.17","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 Cd O14 S2 -","- C20 H42 Cd O14 S2 -","- C40 H84 Cd2 O28 S4 -","2","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.046","0.0406","","","0.0928","0.0978","","","","","","1.014","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336491","8.9164","0.0006","18.4649","0.0012","22.3975","0.0015","90","","97.108","0.001","90","","3659.2","0.4","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H88 Cu2 F12 N8 O20 S4 -","- C60 H81 Cu2 F12 N8 O20 S4 -","- C120 H162 Cu4 F24 N16 O40 S8 -","2","1","","Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara","Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex","Inorganic Chemistry","2013","52","","11697","11699","10.1021/ic4021417","","","0.71073","MoKα","","0.0746","0.0501","","","0.1062","0.1282","","","","","","0.968","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336556","14.358","0.005","15.289","0.005","15.568","0.004","90","","105.24","0.03","90","","3297.3","1.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 N9 O11 Sm -","- C26 H42 N9 O11 Sm -","- C104 H168 N36 O44 Sm4 -","4","2","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0467","0.0387","","","0.0659","0.0695","","","","","","1","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336672","16.402","0.01","17.897","0.001","17.528","0.014","90","0","115.99","0.01","90","0","4625","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37.5 H47.5 Cl8.5 Fe2 N4 S Sn2 -","- C37.5 H47.5 Cl8.5 Fe2 N4 S Sn2 -","- C150 H190 Cl34 Fe8 N16 S4 Sn8 -","4","2","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.1341","0.0821","","","0.1871","0.2039","","","","","","0.9","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336686","14.036","0.007","14.916","0.005","14.725","0.008","90","","108.75","0.05","90","","2919","3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.6 H82.2 Cl4 N6 O10 Y3 -","- C48.63 H79.52 Cl4 N6 O10 Y3 -","- C97.26 H159.04 Cl8 N12 O20 Y6 -","2","1","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0643","0.0534","","","0.1276","0.1302","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336697","8.44478","0.00011","8.82388","0.00012","5.15643","0.00007","90","","93.1854","0.0012","90","","383.641","0.009","298","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Al2 Eu O4 -","- Al2 Eu O4 -","- Al8 Eu4 O16 -","4","2","","Keitaro Tezuka; Yoshimi Tokuhara; Makoto Wakeshima; Yue Jin Shan; Hideo Imoto; Yukio Hinatsu","Crystal Structures and Properties of Europium Aluminum Oxynitride Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4","Inorganic Chemistry","2013","52","","12972","12979","10.1021/ic4013334","powder diffraction","","1.54059","CuKa1","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336725","12.512","0.003","10.357","0.003","26.596","0.006","90","","91.662","0.003","90","","3445","1.5","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H39 N3 O2 Pd -","- C42 H39 N3 O2 Pd -","- C168 H156 N12 O8 Pd4 -","4","2","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.144","0.0663","","","0.128","0.1722","","","","","","1","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336748","18.5055","0.0008","11.8182","0.0006","19.9431","0.0009","90","","110.772","0.003","90","","4078.1","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","Mo(eta6-C10H8)(CNArClips2)3","","","- C85 H74 Cl12 Mo N3 O1.5 -","- C79 H59 Cl12 Mo N3 -","- C158 H118 Cl24 Mo2 N6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","1.54178","CuKα","K-L~3~","0.0511","0.0476","","","0.12","0.1221","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336814","9.48681","0.00016","16.4667","0.0003","15.8574","0.0003","90","","106.811","0.0017","90","","2371.33","0.08","110","0.1","110","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H55 B F4 Ir N4 P -","- C52 H55 B F4 Ir N4 P -","- C104 H110 B2 F8 Ir2 N8 P2 -","2","1","","Marianna Fekete; Oliver Bayfield; Simon B. Duckett; Sam Hart; Ryan E. Mewis; Natalie Pridmore; Peter J. Rayner; Adrian Whitwood","Iridium(III) Hydrido N-Heterocyclic Carbene-Phosphine Complexes as Catalysts in Magnetization Transfer Reactions","Inorganic Chemistry","2013","52","","13453","13461","10.1021/ic401783c","","","0.7107","MoKα","","0.0378","0.0324","","","0.0747","0.078","","","","","","1.032","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336954","11.0227","0.0001","18.6158","0.0003","16.4947","0.0003","90","","94.6647","0.0006","90","","3373.44","0.09","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H80 N4 Ni4 O20 -","- C62 H72 N4 Ni4 O20 -","- C124 H144 N8 Ni8 O40 -","2","1","","Aloke Kumar Ghosh; Michael Shatruk; Valerio Bertolasi; Kausikisankar Pramanik; Debashis Ray","Self-Assembled Tetra- and Pentanuclear Nickel(II) Aggregates From Phenoxido-Based Ligand -Bound {Ni2} Fragments: Carboxylate Bridge Controlled Structures","Inorganic Chemistry","2013","52","","13894","13903","10.1021/ic401337q","","","0.71073","MoKα","","0.0508","0.0426","","","0.1154","0.1217","","","","","","1.06","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4337039","18.319","0.002","4.8688","0.0005","20.288","0.002","90","","115.556","0.005","90","","1632.5","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Cd N5 O14 -","- C30 H30 Cd N5 O14 -","- C60 H60 Cd2 N10 O28 -","2","1","","Dani Peri; Jim Ciston; Felipe Gándara; Yingbo Zhao; Omar M. Yaghi","Crystalline Fibers of Metal-Peptide Double Ladders","Inorganic Chemistry","2013","52","","13818","13820","10.1021/ic402435z","","","1.54178","CuKα","","0.1285","0.0946","","","0.2103","0.2327","","","","","","1.126","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337045","11.7463","0.0006","31.863","0.002","12.6664","0.0009","90","","105.994","0.002","90","","4557.2","0.5","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H57 Au2 N2 O11.5 P2 S2 Zn -","- C36 H57 Au2 N2 O11.5 P2 S2 Zn -","- C144 H228 Au8 N8 O46 P8 S8 Zn4 -","4","2","","Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno","Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate","Inorganic Chemistry","2013","52","","14368","14375","10.1021/ic4024629","","","0.71075","MoKα","","0.0846","0.0665","","","0.1237","0.1354","","","","","","1.092","","","","has coordinates","188980","2020-10-21","18:00:00",""
"4337234","15.0673","0.0004","5.2744","0.0002","17.5437","0.0005","90","","108.902","0.001","90","","1319.03","0.07","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O12 Pt S2 -","- C22 H30 N2 O12 Pt S2 -","- C44 H60 N4 O24 Pt2 S4 -","2","1","","Kitani, Naoki; Kuwamura, Naoto; Tsuji, Takaaki; Tsuge, Kiyoshi; Konno, Takumi","Water-Molecule-Driven Vapochromic Behavior of a Mononuclear Platinum(II) System with Mixed Bipyridine and Thioglucose.","Inorganic chemistry","2014","53","4","1949","1951","10.1021/ic402887f","","","0.71075","MoKα","","0.0509","0.0375","","","0.0689","0.0821","","","","","","1.084","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337235","11.3655","0.0006","6.6148","0.0003","19.1243","0.0008","90","","94.696","0.001","90","","1432.95","0.12","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O13 Pt S2 -","- C24 H34 N2 O13 Pt S2 -","- C48 H68 N4 O26 Pt2 S4 -","2","1","","Kitani, Naoki; Kuwamura, Naoto; Tsuji, Takaaki; Tsuge, Kiyoshi; Konno, Takumi","Water-Molecule-Driven Vapochromic Behavior of a Mononuclear Platinum(II) System with Mixed Bipyridine and Thioglucose.","Inorganic chemistry","2014","53","4","1949","1951","10.1021/ic402887f","","","0.71075","MoKα","","0.0365","0.0318","","","0.0625","0.0667","","","","","","1.076","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337323","10.1264","0.001","15.0101","0.0008","17.4862","0.0018","90","","106.359","0.006","90","","2550.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H12 N12 O8 Zn3 -","- C28 H12 N12 O8 Zn3 -","- C56 H24 N24 O16 Zn6 -","2","1","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.0744","0.0597","","","0.1633","0.1794","","","","","","0.97","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337390","11.0435","0.0008","15.2761","0.0011","13.2147","0.0011","90","","107.84","0.006","90","","2122.1","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetraethanido -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)","","- C30 H70 Al2 Cu2 P2 S4 -","- C30 H70 Al2 Cu2 P2 S4 -","- C60 H140 Al4 Cu4 P4 S8 -","2","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0445","0.0327","","","0.0661","0.0689","","","","","","0.922","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337452","7.3527","0.0001","9.7682","0.0002","14.9867","0.0002","90","","94.875","0.001","90","","1072.49","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","KHA Cr(TMC)(OH)(Cl)Cl 100K","","","- C16 H38 Cl2 Cr N5 O2 -","- C16 H38 Cl2 Cr N5 O2 -","- C32 H76 Cl4 Cr2 N10 O4 -","2","1","","Cho, Kyung-Bin; Kang, Hyeona; Woo, Jaeyoung; Park, Young Jun; Seo, Mi Sook; Cho, Jaeheung; Nam, Wonwoo","Mechanistic insights into the C-H bond activation of hydrocarbons by chromium(IV) oxo and chromium(III) superoxo complexes.","Inorganic chemistry","2014","53","1","645","652","10.1021/ic402831f","","","0.71073","","","0.028","0.0235","","","0.0497","0.0509","","","","","","1.033","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337568","29.056","0.006","12.987","0.003","52.124","0.012","90","","90.879","0.003","90","","19667","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[(tpe)Fe(NHC6H4CCH3)][Li(THF)4]","","","- C438 H564 Fe6 Li6 N24 O24 -","- C438 H564 Fe6 Li6 N24 O24 -","- C876 H1128 Fe12 Li12 N48 O48 -","2","1","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","0.71073","MoKα","","0.1171","0.0778","","","0.1695","0.1885","","","","","","1.048","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337583","24.136","0.005","13.526","0.005","24.539","0.005","90","0.005","116.872","0.005","90","0.005","7146","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Zn2DPO.CHDA","","","- C164 H182 N20 O2 Zn4 -","- C164 H182 N20 O2 Zn4 -","- C328 H364 N40 O4 Zn8 -","2","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.0933","0.0593","","","0.1319","0.1501","","","","","","0.984","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337650","15.5716","0.0018","14.0309","0.0015","16.5856","0.0019","90","","95.035","0.006","90","","3609.7","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H74 Er4 N14 O36 -","- C58 H74 Er4 N14 O36 -","- C116 H148 Er8 N28 O72 -","2","1","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Pham, Linh; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Tetranuclear Lanthanide(III) Complexes with a Zigzag Topology from the Use of Pyridine-2,6-dimethanol: Synthetic, Structural, Spectroscopic, Magnetic and Photoluminescence Studies.","Inorganic chemistry","2014","53","6","3220","3229","10.1021/ic5001045","","","0.71073","MoKα","","0.0761","0.0588","","","0.1277","0.1366","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337684","6.7175","0.001","28.871","0.004","8.2254","0.0013","90","","110.207","0.0016","90","","1497.1","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 Cl2 Cu N4 O8 -","- C28 H32 Cl2 Cu N4 O8 -","- C56 H64 Cl4 Cu2 N8 O16 -","2","1","","Merten, Christian; McDonald, Robert; Xu, Yunjie","Strong Solvent-Dependent Preference of Δ and Λ Stereoisomers of a Tris(diamine)nickel(II) Complex Revealed by Vibrational Circular Dichroism Spectroscopy.","Inorganic chemistry","2014","53","6","3177","3182","10.1021/ic4031766","","","0.71073","MoKα","","0.0458","0.0425","","","0.1173","0.1191","","","","","","1.146","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337742","14.6042","0.0016","27.0532","0.0017","15.9969","0.0014","90","","115.288","0.007","90","","5714.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C122 H172 Co2 N2 Na2 O8 -","- C122 H172 Co2 N2 Na2 O8 -","- C244 H344 Co4 N4 Na4 O16 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0789","0.0497","","","0.1037","0.1138","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337747","15.3062","0.0008","17.0885","0.0008","31.366","0.0016","90","","91.371","0.003","90","","8201.7","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrabutylammonium trichlorido-L-alaninato-nitrosyl-ruthenate(III)","","- C114 H254 Cl18 N18 O19 Ru6 -","- C114 H252 Cl18 N18 O19 Ru6 -","- C228 H504 Cl36 N36 O38 Ru12 -","2","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0634","0.0566","","","0.1304","0.1346","","","","","","1.132","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337752","12.6677","0.0012","10.7195","0.001","20.253","0.002","90","","102.943","0.005","90","","2680.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrabutylammonium trichlorido-L-threoninato-nitrosyl-ruthenate(III)","","- C20 H44 Cl3 N3 O4 Ru -","- C20 H44 Cl3 N3 O4 Ru -","- C80 H176 Cl12 N12 O16 Ru4 -","4","2","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0501","0.043","","","0.1059","0.111","","","","","","1.065","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337766","10.9478","0.0003","15.3695","0.0003","15.1896","0.0004","90","","94.351","0.002","90","","2548.47","0.11","192","3","192","3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H60 Cl3 N5 O10 -","- C44.1 H50.9 Cl3 N3.7 O8.7 -","- C88.2 H101.8 Cl6 N7.4 O17.4 -","2","1","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.0553","0.0512","","","0.1434","0.1486","","","","","","1.055","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337933","18.2317","0.0001","14.4825","0.0001","18.6286","0.0002","90","","94.5","","90","","4903.54","0.07","153","2","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 Ge N4 O40 V2 W10 -","- C65 Ge N4 O40 V2 W10 -","- C130 Ge2 N8 O80 V4 W20 -","2","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0388","","","","0.126","","","","","","1.095","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337962","7.5887","0.0007","12.6369","0.0012","10.2193","0.001","90","","92.224","0.006","90","","979.27","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Cl3 N3 P2 -","- C12 H28 Cl3 N3 P2 -","- C24 H56 Cl6 N6 P4 -","2","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0953","0.0518","","","0.0763","0.0902","","","","","","1.025","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4338022","10.252","0.002","20.081","0.005","22.705","0.005","90","","97.656","0.004","90","","4632.6","1.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H50 Na O5 P Sn2 -","- C50 H50 Na O5 P Sn2 -","- C200 H200 Na4 O20 P4 Sn8 -","4","2","","Cummins, Christopher C.; Huang, Chao; Miller, Tabitha J.; Reintinger, Markus W.; Stauber, Julia M.; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang","The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles.","Inorganic chemistry","2014","53","7","3678","","10.1021/ic403178j","","","0.71073","MoKα","","0.0441","0.0344","","","0.0677","0.071","","","","","","1.079","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338035","14.044","0.007","28.147","0.013","14.654","0.007","90","","109.734","0.006","90","","5452","5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H74 Ce N7 Na O76.5 Si2 W19 -","- C20 H61 Ce N7 Na O76.5 Si2 W19 -","- C40 H122 Ce2 N14 Na2 O153 Si4 W38 -","2","1","","Ju, Wei-Wei; Zhang, Hai-Tao; Xu, Xiao; Zhang, Yu; Xu, Yan","Enantiomerically Pure Lanthanide-Organic Polytungstates Exhibiting Two-Photon Absorption Properties.","Inorganic chemistry","2014","53","7","3269","","10.1021/ic500157x","","","0.71073","MoKα","","0.0775","0.0511","","","0.1101","0.123","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338036","14.071","0.009","28.174","0.019","14.788","0.01","90","","109.375","0.009","90","","5530","6","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H46 Ce N3 Na3 O77.5 Si2 W19 -","- C12 H25 Ce N3 Na3 O77.5 Si2 W19 -","- C24 H50 Ce2 N6 Na6 O155 Si4 W38 -","2","1","","Ju, Wei-Wei; Zhang, Hai-Tao; Xu, Xiao; Zhang, Yu; Xu, Yan","Enantiomerically Pure Lanthanide-Organic Polytungstates Exhibiting Two-Photon Absorption Properties.","Inorganic chemistry","2014","53","7","3269","","10.1021/ic500157x","","","0.71073","MoKα","","0.1323","0.0665","","","0.1488","0.1811","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338051","16.08589","0.00016","21.47794","0.00014","17.84876","0.00018","90","","90.1428","0.0009","90","","6166.58","0.1","100","0.1","100","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H60 Cl4 F3 Fe N6 O5 P S -","- C63 H60 Cl4 F3 Fe N6 O5 P S -","- C252 H240 Cl16 F12 Fe4 N24 O20 P4 S4 -","4","2","","Bittner, Michael M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o-Aminophenolate, and o-Phenylenediamine Ligands.","Inorganic chemistry","2014","53","8","4047","4061","10.1021/ic403126p","","","1.5418","CuKα","","0.0395","0.039","","","0.1022","0.1028","","","","","","1.041","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338112","6.60306","0.00075","18.0599","0.0016","10.85793","0.0007","90","","90.3736","0.0087","90","","1294.8","0.2","","","298","","","","1013","","","","","3","P 1 21 1","P 2yb","4","CAU-13(o-xylene)","","","- C24 Al2 O10 -","- C24 Al2 O10 -","- C48 Al4 O20 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4338114","6.61029","0.00034","17.89844","0.00085","11.09887","0.00047","90","","91.2461","0.0036","90","","1312.84","0.11","","","298","","","","1013","","","","","3","P 1 21 1","P 2yb","4","CAU-13(m-xylene)","","","- C24 Al2 O10 -","- C24 Al2 O10 -","- C48 Al4 O20 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4338115","13.2246","0.0016","17.8923","0.0018","11.08364","0.00092","90","","89.801","0.018","90","","2622.6","0.5","","","298","","","","1013","","","","","3","P 1 21 1","P 2yb","4","CAU-13(p-xylene)","","","- C48 Al4 O20 -","- C48 Al4 O20 -","- C96 Al8 O40 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4338220","9.3416","0.0003","14.7835","0.0004","10.2637","0.0003","90","","104.198","0.001","90","","1374.14","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H48 Co N4 Si4 -","- C16 H48 Co N4 Si4 -","- C32 H96 Co2 N8 Si8 -","2","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0178","0.0171","","","0.0468","0.047","","","","","","1.033","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338340","11.876","0.003","9.1984","0.0019","19.792","0.005","90","","95.985","0.017","90","","2150.3","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","compound-3","","","- As8 Cu6 Rb8 S19 -","- As8 Cu6 Rb8 S19 -","- As16 Cu12 Rb16 S38 -","2","1","","Zhang, Chi; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Mild Solvothermal Syntheses and Characterization of Layered Copper Thioantimonates(III) and Thioarsenate(III).","Inorganic chemistry","2014","53","10","4856","4860","10.1021/ic402864s","","","0.71073","MoKα","","0.079","0.0541","","","0.1079","0.1191","","","","","","0.991","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338368","29.5573","0.0006","15.5841","0.0003","29.7037","0.0007","90","","109.032","0.001","90","","12934.3","0.5","123","2","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 N5 O40 Si V2 W10 -","- C80 N5 O40 Si V2 W10 -","- C320 N20 O160 Si4 V8 W40 -","4","2","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0874","","","","0.1788","","","","","","1.066","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338380","10.8093","0.0001","14.3476","0.0002","10.8243","0.0001","90","","103.559","0.001","90","","1631.93","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 Li4 N4 O10 -","- C30 H32 Li4 N4 O10 -","- C60 H64 Li8 N8 O20 -","2","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0324","0.0309","","","0.0863","0.0875","","","","","","0.765","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338477","7.9381","0.0008","15.9889","0.0016","11.4582","0.0011","90","","105.859","0.002","90","","1398.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H30 B N7 Ni O S -","- C28 H30 B N7 Ni O S -","- C56 H60 B2 N14 Ni2 O2 S2 -","2","1","","López-Banet, Luisa; Santana, M. Dolores; Piernas, María José; García, Gabriel; Cerezo, Javier; Requena, Alberto; Zúñiga, José; Pérez, José; García, Luís","Structure and Spectroscopic Properties of Nickel Benzazolate Complexes with Hydrotris(pyrazolyl)borate Ligand.","Inorganic chemistry","2014","53","11","5502","5514","10.1021/ic5001655","","","0.71073","MoKα","","0.0409","0.0385","","","0.0947","0.096","","","","","","1.041","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338478","7.9112","0.0007","15.7485","0.0015","11.4334","0.0011","90","","107.534","0.001","90","","1358.3","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 B N8 Ni O -","- C28 H31 B N8 Ni O -","- C56 H62 B2 N16 Ni2 O2 -","2","1","","López-Banet, Luisa; Santana, M. Dolores; Piernas, María José; García, Gabriel; Cerezo, Javier; Requena, Alberto; Zúñiga, José; Pérez, José; García, Luís","Structure and Spectroscopic Properties of Nickel Benzazolate Complexes with Hydrotris(pyrazolyl)borate Ligand.","Inorganic chemistry","2014","53","11","5502","5514","10.1021/ic5001655","","","0.71073","MoKα","","0.0331","0.0322","","","0.0833","0.0838","","","","","","1.028","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338505","12.179","0.003","21.086","0.004","16.496","0.004","90","","107.62","0.04","90","","4037.5","1.8","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H76 Ce N9 O10 P6 S2 -","- C82 H76 Ce N9 O10 P6 S2 -","- C164 H152 Ce2 N18 O20 P12 S4 -","2","1","","Correa-Ascencio, Marisol; Galván-Miranda, Elizabeth K; Rascón-Cruz, Fernando; Jiménez-Sandoval, Omar; Jiménez-Sandoval, Sergio J; Cea-Olivares, Raymundo; Jancik, Vojtech; Toscano, R. Alfredo; García-Montalvo, Verónica","Lanthanide(III) complexes with 4,5-bis(diphenylphosphinoyl)-1,2,3-triazolate and the use of 1,10-phenanthroline as auxiliary ligand.","Inorganic chemistry","2010","49","9","4109","4116","10.1021/ic902120e","","","0.71073","MoKα","","0.0697","0.057","","","0.1036","0.1088","","","","","","1.012","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338506","12.23","0.005","21.105","0.008","16.403","0.006","90","","107.81","0.02","90","","4031","3","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H76 N9 Nd O10 P6 S2 -","- C82 H76 N9 Nd O10 P6 S2 -","- C164 H152 N18 Nd2 O20 P12 S4 -","2","1","","Correa-Ascencio, Marisol; Galván-Miranda, Elizabeth K; Rascón-Cruz, Fernando; Jiménez-Sandoval, Omar; Jiménez-Sandoval, Sergio J; Cea-Olivares, Raymundo; Jancik, Vojtech; Toscano, R. Alfredo; García-Montalvo, Verónica","Lanthanide(III) complexes with 4,5-bis(diphenylphosphinoyl)-1,2,3-triazolate and the use of 1,10-phenanthroline as auxiliary ligand.","Inorganic chemistry","2010","49","9","4109","4116","10.1021/ic902120e","","","0.71073","MoKα","","0.0952","0.065","","","0.109","0.1206","","","","","","0.992","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338507","12.197","0.003","21.015","0.004","16.447","0.004","90","","107.64","0.04","90","","4017.5","1.8","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H76 N9 O10 P6 S2 Sm -","- C82 H76 N9 O10 P6 S2 Sm -","- C164 H152 N18 O20 P12 S4 Sm2 -","2","1","","Correa-Ascencio, Marisol; Galván-Miranda, Elizabeth K; Rascón-Cruz, Fernando; Jiménez-Sandoval, Omar; Jiménez-Sandoval, Sergio J; Cea-Olivares, Raymundo; Jancik, Vojtech; Toscano, R. Alfredo; García-Montalvo, Verónica","Lanthanide(III) complexes with 4,5-bis(diphenylphosphinoyl)-1,2,3-triazolate and the use of 1,10-phenanthroline as auxiliary ligand.","Inorganic chemistry","2010","49","9","4109","4116","10.1021/ic902120e","","","0.71073","MoKα","","0.0645","0.0545","","","0.107","0.111","","","","","","1.036","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338508","12.11","0.003","21.141","0.004","16.583","0.003","90","","108.13","0.03","90","","4034.8","1.6","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82.47 H77.89 Gd N9 O10.47 P6 S2 -","- C82.471 H77.884 Gd N9 O10.471 P6 S2 -","- C164.942 H155.768 Gd2 N18 O20.942 P12 S4 -","2","1","","Correa-Ascencio, Marisol; Galván-Miranda, Elizabeth K; Rascón-Cruz, Fernando; Jiménez-Sandoval, Omar; Jiménez-Sandoval, Sergio J; Cea-Olivares, Raymundo; Jancik, Vojtech; Toscano, R. Alfredo; García-Montalvo, Verónica","Lanthanide(III) complexes with 4,5-bis(diphenylphosphinoyl)-1,2,3-triazolate and the use of 1,10-phenanthroline as auxiliary ligand.","Inorganic chemistry","2010","49","9","4109","4116","10.1021/ic902120e","","","0.71073","MoKα","","0.0591","0.051","","","0.1064","0.11","","","","","","1.009","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338538","12.009","0.003","15.962","0.003","13.365","0.003","90","","112.938","0.004","90","","2359.3","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H41 N6 Nd O15 Zn -","- C40 H35 N6 Nd O15 Zn -","- C80 H70 N12 Nd2 O30 Zn2 -","2","1","","Zhang, Zhao; Feng, Weixu; Su, Peiyang; Lü, Xingqiang; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.; Su, Chengyong","Near-Infrared Luminescent PMMA-Supported Metallopolymers Based on Zn-Nd Schiff-Base Complexes.","Inorganic chemistry","2014","53","12","5950","5960","10.1021/ic500132n","","","0.71073","MoKα","","0.1374","0.0806","","","0.1861","0.2294","","","","","","1.047","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338548","9.3975","0.0005","9.8036","0.0006","20.7827","0.0011","90","","92.841","0.003","90","","1912.34","0.19","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H44 Cl3 N O4 P2 Pd -","- C39 H44 Cl3 N O4 P2 Pd -","- C78 H88 Cl6 N2 O8 P4 Pd2 -","2","1","","Zhang, Yi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of Diphosphine Ligands Containing Phosphorus and Carbon Stereogenic Centers by Means of a Chiral Palladium Complex Promoted Hydrophosphination Reaction","Inorganic chemistry","2009","48","12","5535","5539","10.1021/ic900461t","","","0.71073","MoKα","","0.0485","0.0379","","","0.0928","0.1037","","","","","","1.071","","","","has coordinates","210020","2020-10-21","18:00:00",""
"4338549","19.48","0.002","9.6937","0.0011","20.358","0.002","90","","109.602","0.007","90","","3621.5","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl N O4 P2 Pd -","- C38 H42 Cl N O4 P2 Pd -","- C152 H168 Cl4 N4 O16 P8 Pd4 -","4","2","","Zhang, Yi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of Diphosphine Ligands Containing Phosphorus and Carbon Stereogenic Centers by Means of a Chiral Palladium Complex Promoted Hydrophosphination Reaction","Inorganic chemistry","2009","48","12","5535","5539","10.1021/ic900461t","","","0.71073","MoKα","","0.099","0.0686","","","0.1644","0.2095","","","","","","1.056","","","","has coordinates","210020","2020-10-21","18:00:00",""
"4338575","11.516","0.002","13.671","0.003","13.296","0.003","90","","99.851","0.009","90","","2062.4","0.7","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N4 O -","- C21 H30 N4 O -","- C84 H120 N16 O4 -","4","2","","Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M; Sánchez-Barba, Luis F; Morante-Zarcero, Sonia; Garcés, Andrés","On the Search for NNO-Donor Enantiopure Scorpionate Ligands and Their Coordination to Group 4 Metals","Inorganic chemistry","2009","48","12","5540","5554","10.1021/ic900352e","","","0.71073","MoKα","","0.2346","0.0634","","","0.126","0.1742","","","","","","0.646","","","","has coordinates","210024","2020-10-21","18:00:00",""
"4338590","8.5892","0.0003","11.3094","0.0004","9.0016","0.0003","90","","101.894","0.001","90","","855.63","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N2 P -","- C18 H25 N2 P -","- C36 H50 N4 P2 -","2","1","","Kornev, Alexander N.; Belina, Natalia V.; Sushev, Vyacheslav V.; Fukin, Georgy K.; Baranov, Evgenii V.; Kurskiy, Yuriy A.; Poddelskii, Andrei I.; Abakumov, Gleb A.; Lönnecke, Peter; Hey-Hawkins, Evamarie","The First Structurally Characterized Metal (κ^2^N,P)-Phosphinohydrazides: The Key to Understanding the Intramolecular Rearrangement R~2~P‒NR'‒NR'‒M → R'N=PR~2~‒NR'‒M. Metalloderivatives of Diisopropylphosphinohydrazines: Synthesis and Properties","Inorganic chemistry","2009","48","12","5574","5583","10.1021/ic900135b","","","0.71073","MoKα","","0.0264","0.0262","","","0.069","0.0693","","","","","","1.058","","","","has coordinates","209994","2020-10-21","18:00:00",""
"4338653","9.481","0.002","10.843","0.003","10.599","0.003","90","","104.965","0.011","90","","1052.6","0.5","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","Znw_fine","","","- C16 H18 N2 O7 S2 W Zn -","- C16 H18 N2 O7 S2 W Zn -","- C32 H36 N4 O14 S4 W2 Zn2 -","2","1","","Almaraz, Elky; Foley, William S.; Denny, Jason A.; Reibenspies, Joseph H.; Golden, Melissa L.; Darensbourg, Marcetta Y.","Development of Five-Coordinate Zinc Mono- and Dithiolates as S-Donor Metalloligands: Formation of a Zn‒W Coordination Polymer","Inorganic Chemistry","2009","48","12","5288","5295","10.1021/ic900261s","","","1.54178","CuKα","","0.1257","0.0719","","","0.1507","0.1853","","","","","","1.013","","","","has coordinates","210050","2020-10-21","18:00:00",""
"4338674","7.06003","0.00017","14.9363","0.0005","12.5084","0.0009","90","","91.448","0.006","90","","1318.6","0.11","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H45 Cl2 Fe N P2 -","- C20 H45 Cl2 Fe N P2 -","- C40 H90 Cl4 Fe2 N2 P4 -","2","1","","Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L.","Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes.","Inorganic chemistry","2014","53","12","6066","6072","10.1021/ic5004275","","","1.54187","CuKα","","","0.0446","","","","0.1187","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338799","10.5055","0.0005","16.0884","0.0006","11.5005","0.0005","90","","113.874","0.0014","90","","1777.46","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H54 Fe Ir N Si Zr -","- C35 H51 Fe Ir N Si Zr -","- C70 H102 Fe2 Ir2 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0375","0.0363","","","0.0884","0.0888","","","","","","1.125","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338819","7.8918","0.0001","12.7006","0.0002","9.3165","0.0002","90","","90.607","0.001","90","","933.75","0.03","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H24 Li2 N2 Ni O13 -","- C11 H24 Li2 N2 Ni O13 -","- C22 H48 Li4 N4 Ni2 O26 -","2","1","","Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K.","Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-).","Inorganic chemistry","2014","53","13","6684","6697","10.1021/ic5004325","","","0.71073","MoKα","","0.0529","0.0343","","","0.0643","0.0689","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338857","8.295","0.002","7.332","0.001","11.095","0.002","90","","100.12","0.03","90","","664.3","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O S Sn -","- C9 H13 N3 O S Sn -","- C18 H26 N6 O2 S2 Sn2 -","2","1","","Gerasimchuk, Nikolay; Maher, Tiffany; Durham, Paul; Domasevitch, Konstantin V.; Wilking, Janet; Mokhir, Andrew","Tin(IV) cyanoximates: synthesis, characterization, and cytotoxicity.","Inorganic chemistry","2007","46","18","7268","7284","10.1021/ic061354f","","","0.71073","MoKα","","0.0302","0.0263","","","0.0724","0.0745","","","","","","1.08","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338872","8.878","0.0011","9.014","0.0011","9.558","0.0012","90","0.0019","116.99","0.0016","90","0.0019","681.58","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H14 Ag N O6 S -","- C10 H14 Ag N O6 S -","- C20 H28 Ag2 N2 O12 S2 -","2","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71073","MoKα","","0.0445","0.033","","","0.0893","0.1411","","","","","","1.002","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338956","7.0267","0.0003","9.6235","0.0007","13.8161","0.0009","90","","91.824","0.004","90","","933.79","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound JF477B","","","- C12 H28 Ag Cl N2 O5 Si -","- C12 H28 Ag Cl N2 O5 Si -","- C24 H56 Ag2 Cl2 N4 O10 Si2 -","2","1","","Fielden, John; Long, De-liang; Slawin, Alexandra M. Z.; Kögerler, Paul; Cronin, Leroy","Ligand and counterion control of Ag(I) architectures: assembly of a {Ag8} ring cluster mediated by hydrophobic and Ag...Ag interactions.","Inorganic chemistry","2007","46","22","9090","9097","10.1021/ic700872b","","","0.71073","MoKα","","0.047","0.036","","","0.068","0.072","","","","","","1.032","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339099","6.5564","0.0005","14.1006","0.0011","10.0027","0.0008","90","","93.029","0.004","90","","923.45","0.12","110","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 Mn N6 O2 -","- C17 H23 Mn N6 O2 -","- C34 H46 Mn2 N12 O4 -","2","1","","Darensbourg, Donald J.; Frantz, Eric B.","Manganese(III) Schiff base complexes: chemistry relevant to the copolymerization of epoxides and carbon dioxide.","Inorganic chemistry","2007","46","15","5967","5978","10.1021/ic7003968","","","1.54178","CuKα","","0.0612","0.0471","","","0.095","0.1045","","","","","","1.005","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339418","15.544","0.002","12.0941","0.0017","16.539","0.002","90","","95.056","0.004","90","","3097.1","0.7","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H52 Co N4 O2 P2 Si2 -","- C22 H52 Co N4 O2 P2 Si2 -","- C88 H208 Co4 N16 O8 P8 Si8 -","4","2","","Ingleson, Michael J.; Pink, Maren; Fan, Hongjun; Caulton, Kenneth G.","Exploring the reactivity of four-coordinate PNPCoX with access to three-coordinate spin triplet PNPCo.","Inorganic chemistry","2007","46","24","10321","10334","10.1021/ic701171p","","","0.71073","MoKα","","0.0421","0.0334","","","0.0747","0.0799","","","","","","1.021","","","","has coordinates,has disorder","179497","2020-10-21","18:00:00",""
"4339426","12.5335","0.0003","27.9272","0.0007","16.6225","0.0004","90","","109.086","0.001","90","","5498.5","0.2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(DIPP-nacnac)CaCN.THF]3","","","- C114 H159 Ca3 N9 O3 -","- C114 H159 Ca3 N9 O3 -","- C228 H318 Ca6 N18 O6 -","2","1","","Ruspic, Christian; Harder, Sjoerd","Big ligands for stabilization of small functionalities in calcium chemistry.","Inorganic chemistry","2007","46","24","10426","10433","10.1021/ic701479r","","","0.71073","MoKα","","0.0704","0.0472","","","0.1063","0.1182","","","","","","1.024","","","","has coordinates,has disorder","179497","2020-10-21","18:00:00",""
"4339431","12.43","0.009","20.105","0.009","14.665","0.008","90","","107.1","0.03","90","","3503","4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C61 H69 B3 Cu3 F12 N11 O3 S3 -","- C61 H69 B3 Cu3 F12 N11 O3 S3 -","- C122 H138 B6 Cu6 F24 N22 O6 S6 -","2","1","","Gennari, Marcello; Lanfranchi, Maurizio; Cammi, Roberto; Pellinghelli, Maria Angela; Marchiò, Luciano","Mononuclear and polynuclear copper(I) complexes with a new N,N',S-donor ligand and with structural analogies to the copper thionein core.","Inorganic chemistry","2007","46","24","10143","10152","10.1021/ic701189b","","","0.71073","MoKα","","0.1436","0.0587","","","0.0675","0.0798","","","","","","0.892","","","","has coordinates,has disorder","179497","2020-10-21","18:00:00",""
"4339453","15.578","0.0002","13.557","0.0002","16.768","0.0003","90","","112.578","0.0006","90","","3269.84","0.09","270","2","270","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H32 Ag4 Fe2 I8 N16 -","- C48 Ag4 Fe2 I8 N16 -","- C96 Ag8 Fe4 I16 N32 -","2","1","","Muñoz, M Carmen; Gaspar, Ana B.; Galet, Ana; Real, José A","Spin-crossover behavior in cyanide-bridged iron(II)-silver(I) bimetallic 2D Hofmann-like metal-organic frameworks.","Inorganic chemistry","2007","46","20","8182","8192","10.1021/ic700607x","","","0.71073","MoKα","","0.1177","0.0999","","","0.2954","0.3149","","","","","","1.3","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339454","15.363","0.0004","13.418","0.0003","16.606","0.0005","90","","112.503","0.001","90","","3162.53","0.15","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H32 Ag4 Fe2 I8 N16 -","- C48 Ag4 Fe2 I8 N16 -","- C96 Ag8 Fe4 I16 N32 -","2","1","","Muñoz, M Carmen; Gaspar, Ana B.; Galet, Ana; Real, José A","Spin-crossover behavior in cyanide-bridged iron(II)-silver(I) bimetallic 2D Hofmann-like metal-organic frameworks.","Inorganic chemistry","2007","46","20","8182","8192","10.1021/ic700607x","","","0.71073","MoKα","","0.1411","0.0984","","","0.2769","0.3117","","","","","","1.089","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339460","12.018","0.007","11.985","0.007","14.529","0.009","90","","90.257","0.01","90","","2093","2","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H56 Cl2 O4 Zr -","- C43 H56 Cl2 O4 Zr -","- C86 H112 Cl4 O8 Zr2 -","2","1","","Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Anisole-diphenoxide ligands and their zirconium dichloride and dialkyl complexes.","Inorganic chemistry","2007","46","20","8426","8434","10.1021/ic7011167","","","0.7107","MoKα","","","0.063","","","","0.0754","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339468","7.995","0.001","17.491","0.006","11.664","0.001","90","","104.55","0.01","90","","1578.8","0.6","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H21 Au N O P S -","- C13 H21 Au N O P S -","- C52 H84 Au4 N4 O4 P4 S4 -","4","2","","Kang, Jun-Gill; Cho, Hyung-Kook; Park, Changmoon; Yun, Sock-Sung; Kim, Jae-Kyung; Broker, Grant A.; Smyth, Douglas R.; Tiekink, Edward R. T.","Supramolecular aggregation of mononuclear triorganophosphinegold(I) 2-mercaptobenzamides: solution structures, thermal decomposition, and photoluminescence.","Inorganic chemistry","2007","46","20","8228","8237","10.1021/ic701022e","","","0.7107","MoKα","","0.047","0.027","","","0.063","0.068","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339472","7.9","0.003","13.041","0.004","10.909","0.004","90","","107.07","0.03","90","","1074.4","0.7","296.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H25 F2 N2 Na O5 S -","- C18 H25 F2 N2 Na O5 S -","- C36 H50 F4 N4 Na2 O10 S2 -","2","1","","Habata, Yoichi; Okazaki, Chizuko; Ogura, Kinuko; Akabori, Sadatoshi; Zhang, Xian X.; Bradshaw, Jerald S.","Polymer-like structures of LiSCN, NaSCN, KSCN, RbSCN, and CsSCN complexes with an armed monoaza-15-crown-5 ether bearing a 3',5'-difluoro-4'-hydroxybenzyl group.","Inorganic chemistry","2007","46","20","8264","8270","10.1021/ic7011606","","","0.71069","MoKα","","","0.058","","","","0.1652","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339518","11.516","0.002","13.671","0.003","13.296","0.003","90","","99.851","0.009","90","","2062.4","0.7","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N4 O -","- C21 H30 N4 O -","- C84 H120 N16 O4 -","4","2","","Otero, Antonio; Fernandez-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sanchez, Agustín; Sanchez-Barba, Luis F; Sanchez-Molina, Margarita; Franco, Sonia; López-Solera, Maria I; Rodríguez, Ana M","Highly diastereoselective nucleophilic addition to myrtenal. Straightforward synthesis of an enantiopure scorpionate ligand.","Inorganic chemistry","2007","46","21","8475","8477","10.1021/ic701388w","","","0.71073","MoKα","","0.2346","0.0634","","","0.126","0.1742","","","","","","0.646","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339710","11.178","0.011","20.786","0.012","12.23","0.02","90","","115.784","0.016","90","","2559","5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H42 Mn6 N15 Na2 O17 -","- C20 H36 Mn6 N15 Na2 O17 -","- C40 H72 Mn12 N30 Na4 O34 -","2","1","","Mondal, Kartik Chandra; Drew, Mike G. B.; Mukherjee, Partha Sarathi","Synthesis of a Mn6 cluster and its self-assembly of an azido-bridged polymer.","Inorganic chemistry","2007","46","14","5625","5629","10.1021/ic0702670","","","0.71073","MoKα","","0.1963","0.1143","","","0.2918","0.3479","","","","","","0.994","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339744","7.5676","0.001","15.352","0.002","8.4817","0.0011","90","","97.101","0.002","90","","977.8","0.2","293","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cu2 N8 O2 -","- C18 H16 Cu2 N8 O2 -","- C36 H32 Cu4 N16 O4 -","2","1","","Gu, Zhi-Guo; Zhou, Xin-Hui; Jin, Yang-Bo; Xiong, Ren-Gen; Zuo, Jing-Lin; You, Xiao-Zeng","Crystal structures and magnetic and ferroelectric properties of chiral layered metal-organic frameworks with dicyanamide as the bridging ligand.","Inorganic chemistry","2007","46","14","5462","5464","10.1021/ic070112s","","","0.71073","MoKα","","0.0751","0.0592","","","0.1259","0.1296","","","","","","1.001","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339769","14.408","0.003","15.04","0.003","15.586","0.003","90","","105.15","0.03","90","","3260","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 N9 O11 Pr -","- C26 H42 N9 O11 Pr -","- C104 H168 N36 O44 Pr4 -","4","2","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.","Inorganic chemistry","2007","46","19","7923","7934","10.1021/ic700831z","","","0.71073","MoKα","","0.0347","0.0287","","","0.0458","0.0468","","","","","","1.01","","","","has coordinates,has disorder","179500","2020-10-21","18:00:00",""
"4339770","14.292","0.003","15.103","0.003","15.524","0.003","90","","105.52","0.03","90","","3228.7","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 Eu N9 O11 -","- C26 H42 Eu N9 O11 -","- C104 H168 Eu4 N36 O44 -","4","2","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.","Inorganic chemistry","2007","46","19","7923","7934","10.1021/ic700831z","","","0.71073","MoKα","","0.0237","0.0215","","","0.0484","0.049","","","","","","1.039","","","","has coordinates,has disorder","179500","2020-10-21","18:00:00",""
"4339771","11.98","0.003","16.215","0.004","21.707","0.004","90","","105.49","0.03","90","","4063.5","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H91 Dy3 N26 O27 -","- C62 H91 Dy3 N26 O27 -","- C124 H182 Dy6 N52 O54 -","2","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.","Inorganic chemistry","2007","46","19","7923","7934","10.1021/ic700831z","","","0.71073","MoKα","","0.0429","0.0342","","","0.0615","0.0633","","","","","","1.002","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339772","11.924","0.003","16.27","0.004","21.642","0.004","90","","105.47","0.03","90","","4046.5","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H91 N26 O27 Yb3 -","- C62 H91 N26 O27 Yb3 -","- C124 H182 N52 O54 Yb6 -","2","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.","Inorganic chemistry","2007","46","19","7923","7934","10.1021/ic700831z","","","0.71073","MoKα","","0.0363","0.0328","","","0.0743","0.0754","","","","","","1.012","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339782","8.1242","0.0005","20.8794","0.0014","8.3519","0.0006","90","","103.673","0.001","90","","1376.57","0.16","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22.6 Cl2 Cu2 N8 O15.8 -","- C17 H13 Cl2 Cu2 N8 O15.8 -","- C34 H26 Cl4 Cu4 N16 O31.6 -","2","1","","Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul","Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.","Inorganic chemistry","2007","46","19","7767","7781","10.1021/ic070336a","","","0.7107","MoKα","","0.0367","0.0363","","","0.0961","0.0966","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339830","14.6487","0.0002","14.4641","0.0002","19.0842","0.0002","90","","90.1252","0.0009","90","","4043.56","0.09","200","","200","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C44 H47 Ni O0.5 P4 -","- C44 H47 Ni O0.5 P4 -","- C176 H188 Ni4 O2 P16 -","4","2","","Kitto, Heather J.; Rae, A. David; Webster, Richard D.; Willis, Anthony C.; Wild, S. Bruce","Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine).","Inorganic chemistry","2007","46","19","8059","8070","10.1021/ic700912q","","","0.71073","MoKα","","0.0336","0.0261","","0.0283","0.025","0.025","","","","","","1.1054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339831","14.7451","0.0002","9.9707","0.0001","25.8889","0.0002","90","","90.3454","0.0005","90","","3806.09","0.07","200","","200","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C86 H89 Ni2 O0.5 P8 -","- C86 H89 Ni2 O0.5 P8 -","- C172 H178 Ni4 O P16 -","2","1","","Kitto, Heather J.; Rae, A. David; Webster, Richard D.; Willis, Anthony C.; Wild, S. Bruce","Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine).","Inorganic chemistry","2007","46","19","8059","8070","10.1021/ic700912q","","","0.71073","MoKα","","0.0306","0.0255","","0.0284","0.0259","0.0259","","","","","","1.1121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339854","13.457","0.005","38.583","0.013","14.127","0.004","90","","116.578","0.011","90","","6560","4","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C112.5 H88 F24 N24 O2 P4 Ru4 -","- C112.5 H88 F24 N24 O2 P4 Ru4 -","- C225 H176 F48 N48 O4 P8 Ru8 -","2","1","","Yin, Jun; Elsenbaumer, Ronald L.","Syntheses of homochiral multinuclear ru complexes based on oligomeric bibenzimidazoles.","Inorganic chemistry","2007","46","17","6891","6901","10.1021/ic062148a","","","1.54184","CuKα","","0.327","0.0766","","","0.1343","0.2855","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339917","9.206","0.003","19.809","0.006","11.727","0.004","90","","99.259","0.003","90","","2110.7","1.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl5.5 I3 N3 O U -","- C30 H34 Cl5.39 I3 N3 O U -","- C60 H68 Cl10.78 I6 N6 O2 U2 -","2","1","","Chomitz, Wayne A.; Minasian, Stefan G.; Sutton, Andrew D.; Arnold, John","Synthesis and reactivity of metal complexes supported by the tetradentate monoanionic ligand bis(2-picolyl)(2-hydroxy-3,5-di-tert-butylbenzyl)amide (BPPA).","Inorganic chemistry","2007","46","17","7199","7209","10.1021/ic700775k","","","0.71073","MoKα","","0.0743","0.0718","","","0.1746","0.1757","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339927","10.4558","0.0001","19.501","0.0002","10.8625","0.0001","90","","96.9912","0.0008","90","","2198.38","0.04","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O2 Pt -","- C26 H24 N4 O2 Pt -","- C104 H96 N16 O8 Pt4 -","4","2","","Chang, Sheng-Yuan; Kavitha, Jakka; Hung, Jui-Yi; Chi, Yun; Cheng, Yi-Ming; Li, Elise Y.; Chou, Pi-Tai; Lee, Gene-Hsiang; Carty, Arthur J.","Luminescent platinum(II) complexes containing isoquinolinyl indazolate ligands: synthetic reaction pathway and photophysical properties.","Inorganic chemistry","2007","46","17","7064","7074","10.1021/ic700877n","","","0.71073","MoKα","","0.0277","0.0262","","","0.064","0.0647","","","","","","1.038","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339951","19.499","0.005","13.546","0.003","28.385","0.005","90","","108.526","0.015","90","","7109","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H45 F3 N7 Na O11 S -","- C26 H45 F3 N7 Na O11 S -","- C208 H360 F24 N56 Na8 O88 S8 -","8","4","","Wiener, Erik C.; Abadjian, Marie-Caline; Sengar, Raghvendra; Vander Elst, Luce; Van Niekerk, Christoffel; Grotjahn, Douglas B.; Leung, Po Yee; Schulte, Christie; Moore, Curtis E.; Rheingold, Arnold L.","Bifunctional chelates optimized for molecular MRI.","Inorganic chemistry","2014","53","13","6554","6568","10.1021/ic500085g","","","1.54178","CuKα","","0.1064","0.0986","","","0.2673","0.285","","","","","","1.056","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339952","10.576","0.0008","13.0209","0.0009","24.2852","0.0017","90","","100.771","0.006","90","","3285.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H39 F3 N7 Na O11 S -","- C23 H39 F3 N7 Na O11 S -","- C92 H156 F12 N28 Na4 O44 S4 -","4","2","","Wiener, Erik C.; Abadjian, Marie-Caline; Sengar, Raghvendra; Vander Elst, Luce; Van Niekerk, Christoffel; Grotjahn, Douglas B.; Leung, Po Yee; Schulte, Christie; Moore, Curtis E.; Rheingold, Arnold L.","Bifunctional chelates optimized for molecular MRI.","Inorganic chemistry","2014","53","13","6554","6568","10.1021/ic500085g","","","1.54184","CuKα","","0.149","0.0831","","","0.2064","0.2504","","","","","","1.019","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339998","14.946","0.003","9.5085","0.0004","15.1008","0.0009","90","","115.749","0.002","90","","1932.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H23 F15 N4 Sn -","- C43 H23 F15 N4 Sn -","- C86 H46 F30 N8 Sn2 -","2","1","","Yun, Lin; Vazquez-Lima, Hugo; Fang, Huayi; Yao, Zhengmin; Geisberger, Georg; Dietl, Christian; Ghosh, Abhik; Brothers, Penelope J.; Fu, Xuefeng","Synthesis and Reactivity Studies of a Tin(II) Corrole Complex.","Inorganic chemistry","2014","53","13","7047","7054","10.1021/ic501103c","","","0.71073","MoKα","","0.0306","0.0301","","","0.0742","0.0747","","","","","","1.079","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340145","10.116","0.0002","16.079","0.0004","13.55","0.0004","90","","98.3","0.002","90","","2180.89","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H56 In4 O11 -","- C36 H56 In4 O11 -","- C72 H112 In8 O22 -","2","1","","Justyniak, Iwona; Bury, Wojciech; Prochowicz, Daniel; Wójcik, Katarzyna; Zachara, Janusz; Lewiński, Janusz","Toward coordination polymers based on fine-tunable group 13 organometallic phthalates.","Inorganic chemistry","2014","53","14","7270","7275","10.1021/ic5005598","","","0.71073","MoKα","","0.0364","0.0292","","","0.0612","0.0627","","","","","","1.003","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340250","8.7824","0.0008","15.7308","0.0014","14.3831","0.0013","90","","94.85","0.002","90","","1980","0.3","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","[W2(hpp)4(μ-CO)2][PF6],(CH2Cl2)","","","- C31 H50 Cl2 F6 N12 O2 P W2 -","- C31 H50 Cl2 F6 N12 O2 P W2 -","- C62 H100 Cl4 F12 N24 O4 P2 W4 -","2","1","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0354","0.0283","","","0.0603","0.0632","","","","","","1.021","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340294","8.5542","0.0003","15.911","0.0006","15.4317","0.0006","90","","102.138","0.001","90","","2053.39","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H29 Cl2 N2 O4 Rh -","- C16 H29 Cl2 N2 O4 Rh -","- C64 H116 Cl8 N8 O16 Rh4 -","4","2","","Vicente, José; Chicote, María-Teresa; Guerrero, Rita; Vicente-Hernández, Inmaculada; Alvarez-Falcón, Miguel M","The first acetimino complexes of Rh(III). 4-imino-2-methylpentan-2-amino-Rh(III) complexes through metal-assisted intramolecular aldol-type condensation of two acetimino ligands.","Inorganic chemistry","2006","45","1","181","188","10.1021/ic051521w","","","0.71073","MoKα","","0.0193","0.0189","","","0.0471","0.0473","","","","","","1.065","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340428","5.1028","0.0002","21.1626","0.0007","8.8581","0.0004","90","","89.9965","0.0016","90","","956.57","0.07","110","","110","","","","","","","","?","7","P 1 21 1","P 2yb","4","","TiGaPO-1a ?","","- C5 H9 Ga N O22 P5 Ti3 -","- C5 H9 Ga N O22 P5 Ti3 -","- C10 H18 Ga2 N2 O44 P10 Ti6 -","2","1","","Chippindale, Ann M.; Grimshaw, Mark R.; Powell, Anthony V.; Cowley, Andrew R.","Topotactic oxidation of TiGaPO-1, a pyridine-templated titanium gallophosphate with a new octahedral-tetrahedral 3-D framework structure containing Ti(III)/Ti(IV).","Inorganic chemistry","2005","44","12","4121","4123","10.1021/ic050399y","","","0.71073","MoKα","","0.0642","0.0456","","0.0727","0.051","0.051","","","","","","1.0995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340435","9.6001","0.001","8.6181","0.0009","11.4781","0.0012","90","","107.693","0.002","90","","904.72","0.16","566","2","566","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Cd N4 O5 -","- C12 H14 Cd N4 O5 -","- C24 H28 Cd2 N8 O10 -","2","1","","Wang, Yong-Tao; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","A solvothermally in situ generated mixed-ligand approach for NLO-active metal-organic framework materials.","Inorganic chemistry","2005","44","12","4148","4150","10.1021/ic0504137","","","0.71073","MoKα","","0.0362","0.0353","","","0.1012","0.102","","","","","","1.141","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340457","5.9655","0.0001","13.0234","0.0002","8.5143","0.0002","90","","105.382","0.002","90","","637.79","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Λ-aqua-bis(pyrazine-2-carboxylato-N,O)-oxidovanadium(IV)","","- C10 H8 N4 O6 V -","- C10 H8 N4 O6 V -","- C20 H16 N8 O12 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","1.54184","CuKα","","0.0249","0.0244","","","0.0645","0.0652","","","","","","1.042","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340458","5.966","0.0001","13.0237","0.0002","8.5124","0.0001","90","","105.377","0.002","90","","637.731","0.017","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Δ-aqua-bis(pyrazine-2-carboxylato-N,O)-oxidovanadium(IV)","","- C10 H8 N4 O6 V -","- C10 H8 N4 O6 V -","- C20 H16 N8 O12 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","1.54184","CuKα","","0.0295","0.0294","","","0.0768","0.0769","","","","","","1.044","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340474","13.3345","0.0003","19.184","0.0004","15.6017","0.0003","90","","100.092","0.001","90","","3929.31","0.14","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H112 K N3 -","- C94 H75 K N3 -","- C188 H150 K2 N6 -","2","1","","Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J","Synthesis of a ""Super Bulky"" Guanidinate Possessing an Expandable Coordination Pocket.","Inorganic chemistry","2014","53","15","8155","","10.1021/ic501219q","","","0.71073","MoKα","","0.1065","0.068","","","0.157","0.1772","","","","","","1.043","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340493","10.5675","0.0008","12.4531","0.0009","10.6929","0.0008","90","","92.773","0.001","90","","1405.52","0.18","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cl2 N5 O8 Pb -","- C27 H27 Cl2 N5 O8 Pb -","- C54 H54 Cl4 N10 O16 Pb2 -","2","1","","Zhang, Kun; Jin, Chao; Sun, Yuchen; Chang, Feifan; Huang, Wei","Base-Induced Self-Assembly for One-Dimensional Coordination Polymers via Chiral Pendant-Armed Schiff Base Mononuclear Pb(II) Macrocycles.","Inorganic chemistry","2014","53","15","7803","","10.1021/ic5008846","","","0.71073","MoKα","","0.0489","0.0357","","","0.0774","0.0823","","","","","","1.004","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340537","11.5792","0.0011","12.8431","0.0009","8.6056","0.0007","90","","107.657","0.009","90","","1219.47","0.19","180","","180","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O14 U2 -","- C13 H25 N O14 U2 -","- C26 H50 N2 O28 U4 -","2","1","","Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song","[(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties.","Inorganic chemistry","2014","53","16","8708","8716","10.1021/ic501336x","","","0.71073","MoKα","","0.0838","0.0744","","","0.1687","0.1768","","","","","","1.034","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340596","6.745","0.003","14.364","0.003","6.759","0.003","90","","90.8","0.02","90","","654.8","0.4","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dimethylimidazolium Tetrabromoferrate","","- C5 H9 Br4 Fe N2 -","- C5 H9 Br4 Fe N2 -","- C10 H18 Br8 Fe2 N4 -","2","1","","García-Saiz, Abel; de Pedro, Imanol; Migowski, Pedro; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesús Angel; Fabelo, Oscar; Sheptyakov, Denis; Waerenborgh, Joao Carlos; Fernández-Díaz, María Teresa; Rius, Jordi; Dupont, Jairton; Gonzalez, Jesús Antonio; Fernández, Jesús Rodríguez","Anion-π and Halide-Halide Nonbonding Interactions in a New Ionic Liquid Based on Imidazolium Cation with Three-Dimensional Magnetic Ordering in the Solid State.","Inorganic chemistry","2014","53","16","8384","8396","10.1021/ic500882z","powder diffraction","","1.8857","","","","","","","","","","0.008","1.291","","","","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340597","6.752","0.0001","14.3717","0.0003","6.75","0.0002","90","","90.676","0.001","90","","654.96","0.03","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dimethylimidazolium Tetrabromoferrate","","- C5 H9 Br4 Fe N2 -","- C5 H9 Br4 Fe N2 -","- C10 H18 Br8 Fe2 N4 -","2","1","","García-Saiz, Abel; de Pedro, Imanol; Migowski, Pedro; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesús Angel; Fabelo, Oscar; Sheptyakov, Denis; Waerenborgh, Joao Carlos; Fernández-Díaz, María Teresa; Rius, Jordi; Dupont, Jairton; Gonzalez, Jesús Antonio; Fernández, Jesús Rodríguez","Anion-π and Halide-Halide Nonbonding Interactions in a New Ionic Liquid Based on Imidazolium Cation with Three-Dimensional Magnetic Ordering in the Solid State.","Inorganic chemistry","2014","53","16","8384","8396","10.1021/ic500882z","powder diffraction","","0.62039","","","","","","","","","","0.019","2.047","","","","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340626","9.9391","0.0016","16.595","0.003","14.119","0.002","90","","109.87","0.003","90","","2190.1","0.6","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H53 B3 F2 O2 -","- C51 H53 B3 F2 O2 -","- C102 H106 B6 F4 O4 -","2","1","","Smith, Larissa F.; Blight, Barry A.; Park, Hee-Jun; Wang, Suning","Sensitizing Tb(III) and Eu(III) Emission with Triarylboron Functionalized 1,3-Diketonato Ligands.","Inorganic chemistry","2014","53","15","8036","","10.1021/ic500944t","","","0.71073","MoKα","","0.1628","0.0653","","","0.1259","0.1702","","","","","","0.998","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340627","7.6816","0.0014","6.3608","0.0011","14.582","0.003","90","","102.898","0.003","90","","694.5","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Cu N3 O3 -","- C13 H13 Cu N3 O3 -","- C26 H26 Cu2 N6 O6 -","2","1","","Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Solvent-Induced Syntheses, Crystal Structures, Magnetic Properties, and Single-Crystal-to-Single-Crystal Transformation of Azido-Cu(II) Coordination Polymers with 2-Naphthoic Acid as Co-ligand.","Inorganic chemistry","2014","53","15","8088","","10.1021/ic5010769","","","0.71073","MoKα","","0.0903","0.0561","","","0.1007","0.1124","","","","","","1.014","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340645","7.1362","0.0001","21.3103","0.0004","7.2004","0.0001","90","","94.887","0.002","90","","1091.02","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H2 O26 Pb4 Se3 V6 -","- H2 O26 Pb4 Se3 V6 -","- H4 O52 Pb8 Se6 V12 -","2","1","","Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.","Inorganic chemistry","2014","53","16","8816","8824","10.1021/ic501548m","","","1.54178","CuKα","","0.0323","0.0317","","","0.0786","0.0789","","","","","","1.043","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340646","8.333","0.003","5.3171","0.0016","10.71","0.004","90","","111.701","0.005","90","","440.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cl O8 Pb2 Se2 V -","- Cl O8 Pb2 Se2 V -","- Cl2 O16 Pb4 Se4 V2 -","2","1","","Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.","Inorganic chemistry","2014","53","16","8816","8824","10.1021/ic501548m","","","0.71073","MoKα","","0.0248","0.0233","","","0.0431","0.0434","","","","","","0.92","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340665","9.8272","0.0004","18.7287","0.0009","10.3022","0.0005","90","","90.438","0.002","90","","1896.07","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H54 O P2 Pd -","- C43 H54 O P2 Pd -","- C86 H108 O2 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0238","0.0217","","","0.0453","0.0462","","","","","","1.03","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340812","12.3543","0.0002","29.5382","0.0006","15.3044","0.0003","90","","111.123","0.001","90","","5209.68","0.17","173","1","173","1","","","","","","","","8","P 1 21 1","P 2yb","4","Compound X","","","- C54.5 H31 F16 N4 O1.5 Pb Pt2 S2 -","- C54.5 H31 F16 N4 O1.5 Pb Pt2 S2 -","- C218 H124 F64 N16 O6 Pb4 Pt8 S8 -","4","2","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","","0.71073","MoKα","","0.0598","0.0437","","","0.0817","0.0882","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340853","11.0539","0.0004","9.1328","0.0003","19.8252","0.0008","90","","95.412","0.003","90","","1992.49","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H26 Dy F9 N2 O6 -","- C43 H26 Dy F9 N2 O6 -","- C86 H52 Dy2 F18 N4 O12 -","2","1","","Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming","Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.","Inorganic chemistry","2014","53","17","8895","8901","10.1021/ic500501r","","","0.71073","MoKα","","0.0527","0.0427","","","0.0924","0.0992","","","","","","1.025","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340864","6.3742","0.0003","3.5963","0.0002","14.3641","0.0007","90","","110.787","0.003","90","","307.84","0.03","100","2","100.05","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F4.67 Na2 O3.33 V2 -","- F4.6666 Na2 O3.3334 V2 -","- F9.3332 Na4 O6.6668 V4 -","2","1","","Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.","Inorganic chemistry","2015","54","3","765","772","10.1021/ic501486x","","","0.71073","MoKα","","0.053","0.0331","","","0.0859","0.1014","","","","","","1.011","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340955","16.916","0.004","20.267","0.005","18.221","0.004","90","","91.699","0.003","90","","6244","3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H99 Cl3 In2 N4 O3 -","- C62 H99 Cl3 In2 N4 O3 -","- C248 H396 Cl12 In8 N16 O12 -","4","2","","Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.","Inorganic chemistry","2014","53","18","9897","9906","10.1021/ic501529f","","","0.71073","MoKα","","0.1172","0.0846","","","0.2044","0.2342","","","","","","1.021","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340956","16.954","0.002","20.345","0.003","18.616","0.002","90","","91.959","0.003","90","","6417.4","1.4","100","1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H95 Br3 In2 N4 O3 -","- C62 H95 Br3 In2 N4 O3 -","- C248 H380 Br12 In8 N16 O12 -","4","2","","Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.","Inorganic chemistry","2014","53","18","9897","9906","10.1021/ic501529f","","","0.71073","MoKα","","0.1209","0.0803","","","0.1978","0.221","","","","","","1.041","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341140","11.6656","0.0003","11.3435","0.0003","14.6475","0.0004","90","","97.391","0.001","90","","1922.18","0.09","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H48 B N6 Rh -","- C45 H48 B N6 Rh -","- C90 H96 B2 N12 Rh2 -","2","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.0225","0.0213","","","0.0543","0.0552","","","","","","1.04","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341143","11.0074","0.0011","24.21","0.002","11.393","0.0011","90","","113.011","0.002","90","","2794.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H66 B Cl2 Ir N12 -","- C59 H66 B Cl2 Ir N12 -","- C118 H132 B2 Cl4 Ir2 N24 -","2","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.0167","0.016","","","0.0394","0.0397","","","","","","1.002","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341315","13.2646","0.0002","15.2234","0.0003","13.7942","0.0003","90","","90.4308","0.0015","90","","2785.42","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Cl Fe N4 O6 -","- C29 H28 Cl Fe N4 O6 -","- C116 H112 Cl4 Fe4 N16 O24 -","4","2","","Kerber, William D.; Perez, Kaitlyn A.; Ren, Chuqiao; Siegler, Maxime A.","Speciation of Ferric Phenoxide Intermediates during the Reduction of Iron(III)-μ-Oxo Dimers by Hydroquinone.","Inorganic chemistry","2014","53","21","11507","11516","10.1021/ic5014347","","","1.54178","CuKα","","0.0647","0.0599","","","0.1604","0.1669","","","","","","1.037","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341370","14.1572","0.0011","13.5823","0.0012","17.1867","0.0017","90","","107.672","0.003","90","","3148.8","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H79 Co N3 O5 P2 -","- C73 H79 Co N3 O5 P2 -","- C146 H158 Co2 N6 O10 P4 -","2","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.0549","0.0425","","","0.0943","0.1005","","","","","","1.026","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341403","8.6566","0.0011","25","0.004","14.566","0.002","90","0.005","90.169","0.003","90","0.005","3152.3","0.8","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H29 Ir N5 O1.5 -","- C41 H29 Ir N5 O1.5 -","- C164 H116 Ir4 N20 O6 -","4","2","","Howarth, Ashlee J.; Davies, David L.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Tuning the Emission Lifetime in Bis-cyclometalated Iridium(III) Complexes Bearing Iminopyrene Ligands.","Inorganic chemistry","2014","","","141027150422006","","10.1021/ic501032t","","","0.71069","MoKα","","0.0611","0.0556","","","0.1241","0.1271","","","","","","1.042","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4341435","7.9731","0.0015","8.6063","0.0016","8.781","0.0016","90","","90.023","0.002","90","","602.54","0.19","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H14 N2 O7 Se2 V -","- C5 H14 N2 O7 Se2 V -","- C10 H28 N4 O14 Se4 V2 -","2","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0326","0.0321","","0.0827","0.0816","0.0814","","","","","","0.9997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341492","13.2894","0.0006","17.7878","0.0008","22.4872","0.0008","90","","105.602","0.002","90","","5119.9","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H78 K N3 O6 Se2 Si6 U -","- C30 H78 K N3 O6 Se2 Si6 U -","- C120 H312 K4 N12 O24 Se8 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.05","0.0408","","","0.0916","0.0961","","","","","","0.998","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341566","14.8918","0.0002","22.3244","0.0004","18.9375","0.0003","90","","109.159","0.001","90","","5947.07","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C144.3 H126.3 Cl6.9 N4 -","- C144.3 H126.3 Cl6.9 N4 -","- C288.6 H252.6 Cl13.8 N8 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.0906","0.0682","","","0.1738","0.1912","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341571","13.929","0.0005","15.8762","0.0007","15.5792","0.0007","90","","96.364","0.002","90","","3423.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H86 Mg N2 O -","- C86 H86 Mg N2 O -","- C172 H172 Mg2 N4 O2 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.1202","0.0658","","","0.133","0.1581","","","","","","1.033","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341624","8.2454","0.0004","11.8012","0.0006","16.8293","0.0007","90","","93.338","0.003","90","","1634.81","0.13","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O3 S Zn -","- C14 H19 N5 O3 S Zn -","- C56 H76 N20 O12 S4 Zn4 -","4","2","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0618","0.0408","","","0.0601","0.0647","","","","","","1.019","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341734","7.0823","0.0017","12.093","0.003","9.591","0.002","90","","108.514","0.003","90","","778.9","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H24 Co N2 O7 -","- C14 H24 Co N2 O7 -","- C28 H48 Co2 N4 O14 -","2","1","","Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos","Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series","Inorganic Chemistry","2014","","","141121114021002","","10.1021/ic501869y","","x-ray","0.71073","MoKα","","0.0416","0.04","","","0.1043","0.1062","","","","","","1.043","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341736","7.1445","0.0017","12.036","0.003","9.538","0.002","90","","108.082","0.003","90","","779.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H24 Cu N2 O7 -","- C14 H24 Cu N2 O7 -","- C28 H48 Cu2 N4 O14 -","2","1","","Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos","Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series","Inorganic Chemistry","2014","","","141121114021002","","10.1021/ic501869y","","","0.71073","MoKα","","0.0592","0.0542","","","0.1429","0.1488","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341782","13.163","0.0009","17.804","0.0012","22.4878","0.0014","90","","105.691","0.004","90","","5073.7","0.6","103","2","103","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C30 H78 K N3 O6 S Se Si6 U -","- C30 H78 K N3 O6 S Se Si6 U -","- C120 H312 K4 N12 O24 S4 Se4 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reversible Chalcogen-Atom Transfer to a Terminal Uranium Sulfide.","Inorganic chemistry","2014","","","141202142139009","","10.1021/ic502500z","","","0.71073","MoKα","","0.0855","0.0537","","","0.1231","0.145","","","","","","0.851","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341882","7.321","0.004","27.917","0.013","14.261","0.008","90","","98.997","0.008","90","","2879","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl N3 O2.5 Pt -","- C32 H35 Cl N3 O2.5 Pt -","- C128 H140 Cl4 N12 O10 Pt4 -","4","2","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.2327","0.2044","","","0.3718","0.3894","","","","","","1.301","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4342074","9.6974","0.0003","7.794","0.0003","17.8919","0.0005","90","","100.821","0.002","90","","1328.25","0.08","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N7 S2 Sr -","- C23 H33 N7 S2 Sr -","- C46 H66 N14 S4 Sr2 -","2","1","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0437","0.0414","","","0.0982","0.0999","","","","","","0.805","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342141","14.5473","0.0002","17.9914","0.0002","18.7584","0.0002","90","","95.265","0.001","90","","4888.85","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Hg (O Te F5)5,(N CH2 CH3)4,(N CH2 CH3)4,(N CH2 CH3)","","","- C24 H60 F25 Hg N3 O5 Te5 -","- C24 H60 F25 Hg N3 O5 Te5 -","- C96 H240 F100 Hg4 N12 O20 Te20 -","4","2","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0429","0.0282","","","0.0465","0.0489","","","","","","0.98","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342187","12.8682","0.0018","13.9995","0.0019","15.841","0.002","90","","111.853","0.003","90","","2648.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44.5 H42.75 B3 Cu2 F12 N21.25 -","- C44.502 H42.753 B3 Cu2 F12 N21.251 -","- C89.004 H85.506 B6 Cu4 F24 N42.502 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2015","54","4","1487","1500","10.1021/ic502485p","","","0.71073","MoKα","","0.0629","0.055","","","0.1326","0.1387","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342195","6.8452","0.0002","14.1115","0.0002","11.3304","0.0002","90","","107.522","0.002","90","","1043.69","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H10 Cl N4 O3 Re -","- C16 H10 Cl N4 O3 Re -","- C32 H20 Cl2 N8 O6 Re2 -","2","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0764","0.0756","","","0.2035","0.2042","","","","","","0.89","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342272","11.777","0.004","19.775","0.006","14.964","0.005","90","","93.24","0.02","90","","3479","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61.5 H72.5 Cl3 Ga3 N12 O26.5 -","- C61.62 H72.48 Cl3 Ga3 N12 O26.62 -","- C123.24 H144.96 Cl6 Ga6 N24 O53.24 -","2","1","","Ramogida, Caterina F.; Cawthray, Jacqueline F.; Boros, Eszter; Ferreira, Cara L.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","H2CHXdedpa and H4CHXoctapa-Chiral Acyclic Chelating Ligands for (67/68)Ga and (111)In Radiopharmaceuticals.","Inorganic chemistry","2015","54","4","2017","2031","10.1021/ic502942a","","","0.71069","MoKα","","0.0987","0.0619","","","0.1502","0.1731","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342376","10.435","0.003","30.802","0.007","15.579","0.004","90","","104.357","0.006","90","","4851","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C90 H146 B20 Cl2 O2 P2 Rh2 -","- C90 H146 B20 Cl2 O2 P2 Rh2 -","- C180 H292 B40 Cl4 O4 P4 Rh4 -","2","1","","Lugo, Christopher A.; Moore, Curtis E.; Rheingold, Arnold L.; Lavallo, Vincent","Synthesis of a Hybrid m-Terphenyl/o-Carborane Building Block: Applications in Phosphine Ligand Design.","Inorganic chemistry","2015","54","5","2094","","10.1021/ic5030636","","","0.71073","MoKα","","0.1093","0.0606","","","0.1018","0.1166","","","","","","1.001","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342395","9.7933","0.0004","16.7512","0.0005","12.9168","0.0004","90","","107.248","0.003","90","","2023.7","0.12","123","0.1","123","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H35 Mo2 O12 P3 W2 -","- C35 H35 Mo2 O12 P3 W2 -","- C70 H70 Mo4 O24 P6 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","1.54184","CuKα","","0.056","0.0529","","","0.1399","0.1441","","","","","","1.051","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342424","8.4194","0.0004","14.845","0.0006","13.0152","0.0006","90","","92.45","0.001","90","","1625.23","0.13","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H29 F3 Ir N3 O3 S3 -","- C33 H29 F3 Ir N3 O3 S3 -","- C66 H58 F6 Ir2 N6 O6 S6 -","2","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0139","0.0136","","","0.0484","0.0487","","","","","","1.115","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342451","8.7591","0.0013","9.5875","0.0014","16.352","0.002","90","","90.586","0.002","90","","1373.1","0.3","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Λ-Bis{(R)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C32 H32 Cu N2 O4 -","- C32 H32 Cu N2 O4 -","- C64 H64 Cu2 N4 O8 -","2","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0311","0.0249","","","0.0465","0.0479","","","","","","0.884","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342455","8.7218","0.0017","9.557","0.002","16.323","0.003","90","","90.428","0.015","90","","1360.6","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Δ-Bis{(S)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C32 H32 Cu N2 O4 -","- C32 H32 Cu N2 O4 -","- C64 H64 Cu2 N4 O8 -","2","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.1147","0.0674","","","0.1476","0.1707","","","","","","1.04","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342494","9.6398","0.0015","17.688","0.003","10.5316","0.0017","90","","102.232","0.003","90","","1755","0.5","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H36 Mn2 N4 O13 Rb2 -","- C33 H36 Mn2 N4 O13 Rb2 -","- C66 H72 Mn4 N8 O26 Rb4 -","2","1","","González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino","Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes.","Inorganic chemistry","2015","54","6","2512","2521","10.1021/ic501842x","","x-ray","0.71073","MoKα","","0.0443","0.0329","","","0.0695","0.075","","","","","","1.095","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342550","10.4461","0.0018","13.727","0.002","16.79","0.003","90","","98.864","0.005","90","","2378.8","0.7","125","","125","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H73 Ga N8 P4 Te3 -","- C32 H73 Ga N8 P4 Te3 -","- C64 H146 Ga2 N16 P8 Te6 -","2","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.0837","0.0731","","","0.1788","0.1887","","","","","","1.135","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342551","10.439","0.002","13.63","0.002","17.005","0.003","90","","99.789","0.004","90","","2384.3","0.7","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H73 In N8 P4 Te3 -","- C32 H73 In N8 P4 Te3 -","- C64 H146 In2 N16 P8 Te6 -","2","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.0204","","","","0.0505","","","","","","0.418","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342614","11.4734","0.0009","18.469","0.002","13.0501","0.0014","90","","110.476","0.007","90","","2590.6","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H78 K N5 O6 Si6 U -","- C32 H78 K N5 O6 Si6 U -","- C64 H156 K2 N10 O12 Si12 U2 -","2","1","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0736","0.0575","","","0.1339","0.1421","","","","","","1.032","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342631","16.314","0.0013","15.3614","0.0006","18.1903","0.0008","90","","92.867","0.007","90","","4552.9","0.5","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H162 Br Cr Mo6 N5 O26 -","- C68 H158.12 Br Cr Mo6 N5 O25.56 -","- C136 H316.24 Br2 Cr2 Mo12 N10 O51.12 -","2","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","0.71073","MoKα","","0.0465","0.0359","","","0.0861","0.0933","","","","","","1.03","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342633","16.1269","0.0013","15.5347","0.0006","17.989","0.0008","90","","93.043","0.007","90","","4500.4","0.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H155 Br Mn Mo6 N5 O24 -","- C68 H155 Br Mn Mo6 N5 O24 -","- C136 H310 Br2 Mn2 Mo12 N10 O48 -","2","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","0.71073","MoKα","","0.0407","0.0375","","","0.0778","0.0821","","","","","","1.048","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342634","15.9787","0.0003","15.8012","0.0003","18.1275","0.0003","90","","93.177","0.0018","90","","4569.84","0.14","103","9","103","9","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H158 Al Br Mo6 N4 O24 -","- C70 H157 Al Br Mo6 N4 O24 -","- C140 H314 Al2 Br2 Mo12 N8 O48 -","2","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.0565","0.0445","","","0.0841","0.107","","","","","","1.018","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342724","8.7075","0.0002","10.1328","0.0002","11.1132","0.0002","90","","112.474","0.001","90","","906.06","0.03","250","2","250","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H20 Cl F6 N2 O2 Ru Sb -","- C12 H20 Cl F6 N2 O2 Ru Sb -","- C24 H40 Cl2 F12 N4 O4 Ru2 Sb2 -","2","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0387","0.0309","","","0.0731","0.075","","","","","","0.971","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342760","12.514","0.002","60.998","0.009","12.873","0.002","90","","98.645","0.003","90","","9715","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C135 H180 Fe4 N12 Ni2 O26 -","- C135 H180 Fe4 N12 Ni2 O26 -","- C270 H360 Fe8 N24 Ni4 O52 -","2","1","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.2036","0.1013","","","0.227","0.2683","","","","","","0.841","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342844","8.3796","0.0011","5.7173","0.0007","9.3378","0.0011","90","","115.194","0.003","90","","404.8","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui","Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.","Inorganic chemistry","2015","54","11","5462","5466","10.1021/acs.inorgchem.5b00478","","","0.71073","MoKα","","0.0353","0.0266","","","0.0506","0.0531","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342845","8.3819","0.0011","5.7198","0.0007","9.3376","0.0012","90","","115.15","0.003","90","","405.23","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui","Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.","Inorganic chemistry","2015","54","11","5462","5466","10.1021/acs.inorgchem.5b00478","","","0.71073","MoKα","","0.0248","0.0224","","","0.0579","0.0591","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342908","15.3441","0.0006","12.3982","0.0002","17.9119","0.0007","90","","115.2","0.005","90","","3083.2","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H74 Ge2 N6 O9 Ru4 Si4 -","- C47 H74 Ge2 N6 O9 Ru4 Si4 -","- C94 H148 Ge4 N12 O18 Ru8 Si8 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Reactivity Studies on a Binuclear Ruthenium(0) Complex Equipped with a Bridging κ(2)N,Ge-Amidinatogermylene Ligand.","Inorganic chemistry","2015","54","10","4850","4861","10.1021/acs.inorgchem.5b00412","","","1.5418","CuKα","","0.065","0.0558","","","0.1398","0.1491","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342914","9.7327","0.0003","24.9615","0.0007","13.3675","0.0004","90","","108.147","0.004","90","","3086.01","0.17","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H54 Cl6 Fe K N2 O14 P2 -","- C64 H54 Cl6 Fe K N2 O14 P2 -","- C128 H108 Cl12 Fe2 K2 N4 O28 P4 -","2","1","","Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J","2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.","Inorganic chemistry","2015","54","11","5410","5418","10.1021/acs.inorgchem.5b00451","","","0.71073","MoKα","","0.0691","0.0579","","","0.1511","0.162","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342917","9.8809","0.0004","23.8659","0.0008","12.4131","0.0004","90","","104.868","0.004","90","","2829.21","0.18","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H60 Br6 Cr Na O12 P2 -","- C44 H60 Br6 Cr Na O12 P2 -","- C88 H120 Br12 Cr2 Na2 O24 P4 -","2","1","","Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J","2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.","Inorganic chemistry","2015","54","11","5410","5418","10.1021/acs.inorgchem.5b00451","","","0.71073","MoKα","","0.0366","0.0326","","","0.0732","0.0758","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342922","10.8527","0.0008","18.5104","0.0014","12.0859","0.0008","90","","91.912","0.005","90","","2426.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H64 Cr N5 P5 -","- C51 H64 Cr N5 P5 -","- C102 H128 Cr2 N10 P10 -","2","1","","Mock, Michael T.; Pierpont, Aaron W.; Egbert, Jonathan D.; O'Hagan, Molly; Chen, Shentan; Bullock, R. Morris; Dougherty, William G.; Kassel, W. Scott; Rousseau, Roger","Protonation studies of a mono-dinitrogen complex of chromium supported by a 12-membered phosphorus macrocycle containing pendant amines.","Inorganic chemistry","2015","54","10","4827","4839","10.1021/acs.inorgchem.5b00351","","","0.71073","MoKα","","0.0843","0.0515","","","0.0967","0.1094","","","","","","1.002","","","","has coordinates","138114","2020-10-21","18:00:00",""
"4342950","14.331","","13.839","","15.678","","90","","90.68","","90","","3109.15","","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Eu N6 O15 -","- C57 H60 Cl3 Eu N6 O15 -","- C114 H120 Cl6 Eu2 N12 O30 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0556","0.0544","","","0.1462","0.1472","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342951","14.3313","0.0002","13.8416","0.0002","15.6365","0.0003","90","","90.728","0.002","90","","3101.53","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 N6 O15 Tb -","- C57 H60 Cl3 N6 O15 Tb -","- C114 H120 Cl6 N12 O30 Tb2 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","0.71073","MoKα","","0.0545","0.0469","","","0.1173","0.1231","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342952","14.3406","0.0002","13.8448","0.0002","15.6676","0.0002","90","","90.702","0.001","90","","3110.45","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Gd N6 O15 -","- C57 H60 Cl3 Gd N6 O15 -","- C114 H120 Cl6 Gd2 N12 O30 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0408","0.0402","","","0.1199","0.1211","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342953","14.45","","13.869","","15.721","","90","","90.84","","90","","3150.26","","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Eu0.44 N6 O15 Tb0.56 -","- C57 H62 Cl3 Eu0.56 N6 O15 Tb0.44 -","- C114 H124 Cl6 Eu1.12 N12 O30 Tb0.88 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0497","0.0447","","","0.1212","0.1281","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342954","14.3391","0.0002","13.8394","0.0002","15.6773","0.0002","90","","90.727","0.001","90","","3110.82","0.07","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Eu0.49 Gd0.51 N6 O15 -","- C57 H60 Cl3 Eu0.49 Gd0.51 N6 O15 -","- C114 H120 Cl6 Eu0.98 Gd1.02 N12 O30 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0463","0.0455","","","0.1213","0.1223","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342955","14.3452","0.0001","13.8467","0.0001","15.6606","0.0001","90","","90.721","0.001","90","","3110.48","0.04","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Gd0.57 N6 O15 Tb0.43 -","- C57 H60 Cl3 Gd0.57 N6 O15 Tb0.43 -","- C114 H120 Cl6 Gd1.14 N12 O30 Tb0.86 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0407","0.0403","","","0.1102","0.1107","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342972","11.6607","0.0003","14.501","0.0004","21.2628","0.0005","90","","99.411","0.001","90","","3546.97","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl2 N6 O16 Sr -","- C26 H42 Cl2 N6 O16 Sr -","- C104 H168 Cl8 N24 O64 Sr4 -","4","2","","Regueiro-Figueroa, Martín; Barriada, José Luis; Pallier, Agnès; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Tóth, Éva; Platas-Iglesias, Carlos","Stabilizing divalent europium in aqueous solution using size-discrimination and electrostatic effects.","Inorganic chemistry","2015","54","10","4940","4952","10.1021/acs.inorgchem.5b00548","","x-ray","0.71073","MoKα","","0.0952","0.0567","","","0.1022","0.1144","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343019","16.0739","0.0002","22.6331","0.0003","17.3613","0.0002","90","","111.303","0.0004","90","","5884.52","0.13","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","Co4-tBu-TEA(R)","","","- C120 H148 Co4 N7 O15 -","- C120 H148 Co4 N7 O15 -","- C240 H296 Co8 N14 O30 -","2","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.078","0.0437","","","0.0805","0.0882","","","","","","0.949","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4343084","13.65","0.005","19.84","0.005","14.794","0.005","90","0.005","104.169","0.005","90","0.005","3885","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H54 Co3 N22 O15 W2 -","- C58 H54 Co3 N22 O15 W2 -","- C116 H108 Co6 N44 O30 W4 -","2","1","","Chorazy, Szymon; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Nitek, Wojciech; Mlynarski, Jacek; Rams, Michał; Kozieł, Marcin; Juszyńska Gałązka, Ewa; Vieru, Veacheslav; Chibotaru, Liviu F.; Sieklucka, Barbara","Optical Activity and Dehydration-Driven Switching of Magnetic Properties in Enantiopure Cyanido-Bridged Co(II)3W(V)2 Trigonal Bipyramids.","Inorganic chemistry","2015","54","12","5784","5794","10.1021/acs.inorgchem.5b00470","","","0.71069","MoKα","","0.0453","0.0312","","","0.0667","0.0693","","","","","","0.952","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343166","5.2954","0.0006","21.7207","0.0018","18.731","0.002","90","","97.633","0.008","90","","2135.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 N3 O5 Zn -","- C24 H21 N3 O5 Zn -","- C96 H84 N12 O20 Zn4 -","4","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao","From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.","Inorganic chemistry","2015","54","8","3951","3957","10.1021/acs.inorgchem.5b00130","","","0.71073","MoKα","","0.1493","0.0711","","","0.089","0.1149","","","","","","0.967","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343194","13.5566","0.001","5.7532","0.0004","14.7074","0.001","90","","91.859","0.007","90","","1146.48","0.14","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl Cu Se4 -","- C24 H20 Cl Cu Se4 -","- C48 H40 Cl2 Cu2 Se8 -","2","1","","Tyrrell, Sophie; Behrendt, Gereon; Nockemann, Peter","Ionothermal syntheses of nano- and microstructured ternary copper-indium-chalcogenides.","Inorganic chemistry","2015","54","9","4495","4503","10.1021/acs.inorgchem.5b00322","","","0.71075","MoKα","","0.0785","0.0548","","","0.1133","0.1263","","","","","","1.03","","","","has coordinates","137939","2020-10-21","18:00:00",""
"4343283","12.60906","0.00016","22.9041","0.0002","18.84609","0.00019","90","","90.0528","0.0011","90","","5442.73","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55.5 H80 Ga N3 O2 S -","- C55.5 H80 Ga N3 O2 S -","- C222 H320 Ga4 N12 O8 S4 -","4","2","","Piskunov, Alexander V.; Ershova, Irina V.; Bogomyakov, Artem S.; Starikov, Andrey G.; Fukin, Georgy K.; Cherkasov, Vladimir K.","Indirect Magnetic Exchange between o-Iminosemiquinonate Ligands Controlled by Apical Substituent in Pentacoordinated Gallium(III) Complexes.","Inorganic chemistry","2015","54","13","6090","6099","10.1021/acs.inorgchem.5b00520","","","0.71073","MoKα","","0.0515","0.041","","","0.091","0.0954","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343336","9.4535","0.0005","10.0859","0.0005","12.784","0.0007","90","","92.8469","0.0015","90","","1217.41","0.11","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 N2 O11 Re -","- C18 H33 N2 O11 Re -","- C36 H66 N4 O22 Re2 -","2","1","","Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G.","Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent.","Inorganic chemistry","2015","54","13","6281","6290","10.1021/acs.inorgchem.5b00584","","","1.54178","CuKα","","0.0158","0.0158","","","0.0404","0.0404","","","","","","1.116","","","","has coordinates,has disorder","141349","2020-10-21","18:00:00",""
"4343471","10.8499","0.0006","16.4121","0.001","13.7809","0.0008","90","","102.278","0.001","90","","2397.8","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H40 Ag Cl2 F11 O2 P4 Pd -","- C45 H40 Ag Cl2 F11 O2 P4 Pd -","- C90 H80 Ag2 Cl4 F22 O4 P8 Pd2 -","2","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0581","0.0434","","","0.0929","0.0998","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343503","11.2453","0.0003","31.9918","0.0007","18.978","0.0004","90","","95.042","0.001","90","","6801.1","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C114 H192 Co2 Cr2 K2 N16 O12 P6 -","- C114 H192 Co2 Cr2 K2 N16 O12 P6 -","- C228 H384 Co4 Cr4 K4 N32 O24 P12 -","2","1","","Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.","Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.","Inorganic chemistry","2015","54","19","9263","9270","10.1021/acs.inorgchem.5b00983","","","1.54178","CuKα","","0.0558","0.047","","","0.113","0.1177","","","","","","1.065","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343519","16.669","0.008","14.021","0.007","21.701","0.01","90","","104.734","0.008","90","","4905","4","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Ca Cu Mo18 N12 O77 P6 -","- C36 H68 Ca Cu Mo18 N12 O77 P6 -","- C72 H136 Ca2 Cu2 Mo36 N24 O154 P12 -","2","1","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.","Inorganic chemistry","2015","54","14","6744","6757","10.1021/acs.inorgchem.5b00508","","","0.71","MoKα","","0.053","0.0405","","","0.075","0.0814","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343567","8.8402","","8.2038","","26.7623","","90","","99.488","","90","","1914.34","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ba2.605 Pb1.39 Sb4 S10","","- Ba2.605 Pb1.39 S10 Sb4 -","- Ba2.605 Pb1.39 S10 Sb4 -","- Ba10.42 Pb5.56 S40 Sb16 -","4","2","","Choi, K.-S.; Kanatzidis, M.G.","Sulfosalts with alkaline earth metals. Centrosymmetric vs acentric interplay in Ba3 Sb4.66 S10 and Ba2.62 Pb1.38 Sb4 S10 based on the Ba/Pb/Sb ratio. Phases related to arsenosulfide minerals of the rathite group and novel polysulfide Sr6 Sb6 S17","Inorganic Chemistry","2000","39","","5655","5662","","","","","","","","","","","","","","","","","","","","","","has coordinates","140575","2020-10-21","18:00:00",""
"4343636","9.759","","12.608","","12.878","","90","","91.57","","90","","1583.93","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ru (C O)4 (Ge Cl3)2","","- C4 Cl6 Ge2 O4 Ru -","- C4 Cl6 Ge2 O4 Ru -","- C16 Cl24 Ge8 O16 Ru4 -","4","2","","Ball, R.D.; Bennett, M.J.","The crystal and molecular structures of the cis and trans isomers of bis(trichlorogermanyl)tetracarbonylruthenium","Inorganic Chemistry","1972","11","","1806","1811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343900","15.693","","9.235","","18.218","","90","","125.21","","90","","2157.19","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Fe2 (Mo O4)3","","- Fe2 Mo3 O12 -","- Fe2 Mo3 O12 -","- Fe16 Mo24 O96 -","8","4","","Rapposch, M.H.; Anderson, J.B.; Kostiner, E.","Crystal structure of ferric molybdate, Fe2 (Mo O4)3","Inorganic Chemistry","1980","19","","3531","3539","","","","","","","","","","","","","","","","","","","","","","has coordinates","151519","2020-10-21","18:00:00",""
"4343949","5.0568","","21.6211","","8.1724","","90","","91.361","","90","","893.266","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4)2 Al4 (P O4)4 (H P O4) (H2 O)","","- Al4 H11 N2 O21 P5 -","- Al4 H N2 O21 P5 -","- Al8 H2 N4 O42 P10 -","2","1","","Zhou, Dan; Chen, Lei; Yu, Jihong; Li, Yi; Yan, Wenfu; Deng, Feng; Xu, Ruren","Synthesis, Crystal Structure, and Solid-State NMR Spectroscopy of a New Open-Framework Aluminophosphate (NH4)2Al4(PO4)4(HPO4)·H2O","Inorganic Chemistry","2005","44","12","4391","4397","10.1021/ic048476x","","","","","","","","","","","","","","","","","","","","","has coordinates","210153","2020-10-21","18:00:00",""
"4344045","6.63305","0.00005","15.41708","0.00012","11.94167","0.00012","90","","103.335","0.0009","90","","1188.26","0.018","","","295","","","","","","","","","7","P 1 21 1","P 2yb","4","","","ZrPOF-Epy","- C10.1 H15.41 F N1.7 O16 P3 Zr3 -","- C10.095 H13.41 F N1.695 O16 P3 Zr3 -","- C20.19 H26.82 F2 N3.39 O32 P6 Zr6 -","2","1","","Smeets, Stef; Liu, Lei; Dong, Jinxiang; McCusker, Lynne B.","Ionothermal Synthesis and Structure of a New Layered Zirconium Phosphate.","Inorganic chemistry","2015","54","16","7953","7958","10.1021/acs.inorgchem.5b01094","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344069","10.886","0.0008","24.2337","0.0019","18.0401","0.0014","90","","90.158","0.002","90","","4759.1","0.6","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H68 Br Fe N4 -","- C54 H68 Br Fe N4 -","- C216 H272 Br4 Fe4 N16 -","4","2","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.1104","0.0542","","","0.0951","0.1101","","","","","","1.003","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344071","18.7708","0.0015","16.9182","0.0014","26.489","0.002","90","","106.177","0.001","90","","8079","1.1","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H80 B F24 Fe N4 -","- C86 H80 B F24 Fe N4 -","- C344 H320 B4 F96 Fe4 N16 -","4","2","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.177","0.0728","","","0.1781","0.2307","","","","","","0.993","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344073","13.0956","0.0015","18.1551","0.0019","13.6087","0.0015","90","","91.873","0.002","90","","3233.8","0.6","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H90 B Fe N4 O2 -","- C74 H90 B Fe N4 O2 -","- C148 H180 B2 Fe2 N8 O4 -","2","1","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.1497","0.0727","","","0.1173","0.1427","","","","","","0.993","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344463","13.092","0.004","13.202","0.004","14.251","0.005","90","","108.339","0.005","90","","2338.1","1.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Cl12 La N10 -","- C20 H30 Al3 Cl12 La N10 -","- C40 H60 Al6 Cl24 La2 N20 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0537","0.0495","","","0.1385","0.1463","","","","","","1.383","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344464","13.0371","0.0009","13.1648","0.0009","14.1776","0.0009","90","","108.504","0.001","90","","2307.5","0.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Ce Cl12 N10 -","- C20 H30 Al3 Ce Cl12 N10 -","- C40 H60 Al6 Ce2 Cl24 N20 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0175","0.0165","","","0.0377","0.0379","","","","","","1.044","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344465","13.0031","0.0009","13.1543","0.0009","14.0996","0.001","90","","108.512","0.001","90","","2286.9","0.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Cl12 N10 Nd -","- C20 H30 Al3 Cl12 N10 Nd -","- C40 H60 Al6 Cl24 N20 Nd2 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0219","0.0189","","","0.042","0.0511","","","","","","1.025","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344515","4.877","","21.187","","5.307","","90","","91.42","","90","","548.199","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Ag C N) (Ag Cl O4)2 (H2 O)2","","- C H4 Ag3 Cl2 N O10 -","- C Ag3 Cl2 N O10 -","- C2 Ag6 Cl4 N2 O20 -","2","1","","Guo, G.-C.; Wang, Q.-M.; Mak, T.","Variation of (Ag C N) chain configuration in silver(I) double salts: crystal structures of Ag C N * 2Ag N O3 and Ag C N * 2Ag Cl O4 * 2H2 O","Inorganic Chemistry Communications","2000","3","","313","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344533","8.8735","0.0011","23.381","0.003","8.9575","0.0011","90","","104.464","0.003","90","","1799.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H44 Cl2 Co N4 O15 -","- C28 H44 Cl2 Co N4 O15 -","- C56 H88 Cl4 Co2 N8 O30 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0533","0.0518","","","0.1411","0.1435","","","","","","1.129","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344534","8.2508","0.0013","23.122","0.003","8.8694","0.0015","90","","98.264","0.004","90","","1674.5","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl2 Co N4 O13 S2 -","- C24 H40 Cl2 Co N4 O13 S2 -","- C48 H80 Cl4 Co2 N8 O26 S4 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0385","0.0367","","","0.0866","0.0875","","","","","","1.043","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344535","9.3116","0.0013","14.853","0.0019","12.8247","0.0019","90","","106.387","0.003","90","","1701.7","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Co F3 N4 O10 S -","- C30 H44 Co F3 N4 O10 S -","- C60 H88 Co2 F6 N8 O20 S2 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0326","0.0311","","","0.071","0.0716","","","","","","1.053","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344537","9.101","0.003","15.041","0.005","11.112","0.004","90","","98.132","0.004","90","","1505.8","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H38 Co F3 N4 O8 S -","- C27 H38 Co F3 N4 O8 S -","- C54 H76 Co2 F6 N8 O16 S2 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0404","0.0392","","","0.0942","0.0952","","","","","","1.057","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344538","9.1076","0.0019","14.906","0.003","10.516","0.002","90","","102.084","0.006","90","","1396","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl Co N4 O9 -","- C25 H36 Cl Co N4 O9 -","- C50 H72 Cl2 Co2 N8 O18 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0421","0.0403","","","0.101","0.1023","","","","","","1.102","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344568","14.0975","0.0017","13.7505","0.0016","37.868","0.004","90","","96.079","0.004","90","","7299.3","1.4","90","","90","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59 H73 F15 Fe2 N12 Na O15.5 S5 -","- C59 H73 F15 Fe2 N12 Na O15.5 S5 -","- C236 H292 F60 Fe8 N48 Na4 O62 S20 -","4","2","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0662","0.0537","","","0.1358","0.1446","","","","","","1.036","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4344632","9.7444","0.0009","9.2402","0.0008","10.0183","0.0009","90","","110.145","0.001","90","","846.87","0.13","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4.67 H4.67 Co0.33 N0.67 O2.33 P0.67 S0.33 -","- C4.66667 H4.66667 Co0.333333 N0.666667 O2.33333 P0.666667 S0.333333 -","- C28 H28 Co2 N4 O14 P4 S2 -","6","3","","Gao, Chao-Ying; Wang, Fei; Tian, Hong-Rui; Li, Lei-Jiao; Zhang, Jian; Sun, Zhong-Ming","Particular Handedness Excess through Symmetry-Breaking Crystallization of a 3D Cobalt Phosphonate.","Inorganic chemistry","2016","55","2","537","539","10.1021/acs.inorgchem.5b02187","","","0.71073","MoKα","","0.0235","0.0225","","","0.0539","0.0543","","","","","","1.085","","","","has coordinates","175533","2020-10-21","18:00:00",""
"4344712","10.709","0.003","13.59","0.003","11.786","0.003","90","","92.665","0.003","90","","1713.4","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 Al Cl12 F24 Li O4 -","- C16 Al Cl12 F24 Li O4 -","- C32 Al2 Cl24 F48 Li2 O8 -","2","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.0764","0.0656","","","0.1998","0.2294","","","","","","1.112","","","","has coordinates","175582","2020-10-21","18:00:00",""
"4344788","12.65484","0.00012","11.54401","0.00012","13.13616","0.00012","90","","99.685","0.0009","90","","1891.68","0.03","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H54 Cl3 N P2 Ti -","- C34 H54 Cl3 N P2 Ti -","- C68 H108 Cl6 N2 P4 Ti2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0318","0.0303","","","0.0696","0.0701","","","","","","1.124","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344915","6.255","0.002","9.855","0.002","6.533","0.002","90","","107.01","0.02","90","","385.1","0.19","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H6 K O9 S V -","- K O9 S V -","- K2 O18 S2 V2 -","2","1","","Richter, Kurt-Ludvig; Mattes, Rainer","Hydrated phases in the V2O5-K2O-SO3-H2O system. Preparation and structures of K[VO2(SO4)(H2O)] and K[VO2(SO4)(H2O)2].H2O","Inorganic Chemistry","1991","30","","4367","4369","10.1021/ic00023a015","","x-ray","0.71069","MoKα","","","0.024","","","0.029","","","","","","","","","","","has coordinates","188058","2020-10-21","18:00:00",""
"4344952","12.7484","0.0005","9.2801","0.0004","14.7064","0.0006","90","","112.211","0.003","90","","1610.76","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium Tin Iodide","","","- C2 H7 I3 N2 Sn -","- C2 H7 I3 N2 Sn -","- C12 H42 I18 N12 Sn6 -","6","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0726","0.0598","","","0.1368","0.1422","","","","","","1.084","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344953","12.8568","0.0012","9.3485","0.001","15.211","0.0013","90","","113.249","0.006","90","","1679.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium Tin Iodide","","","- C2 H7 I3 N2 Sn -","- C2 H7 I3 N2 Sn -","- C12 H42 I18 N12 Sn6 -","6","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.1261","0.0636","","","0.1018","0.1226","","","","","","1.037","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344961","8.4729","0.0017","14.663","0.003","21.347","0.004","90","","90.08","0.03","90","","2652.1","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C12 H72 Bi8 I36 N12 -","4","2","","Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T. M.","Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids.","Inorganic chemistry","2017","56","1","33","41","10.1021/acs.inorgchem.6b01699","","","0.71073","MoKα","","0.0921","0.068","","","0.1901","0.2094","","","","","","1.177","","","","has coordinates","191347","2020-10-21","18:00:00",""
"4345016","7.9789","0.0004","12.2208","0.0005","11.6751","0.0005","90","","101.379","0.002","90","","1116.04","0.09","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H27 Cl2 N2 O2 Rh -","- C22 H27 Cl2 N2 O2 Rh -","- C44 H54 Cl4 N4 O4 Rh2 -","2","1","","Ganesan, Vinothkumar; Sivanesan, Dharmalingam; Yoon, Sungho","Correlation between the Structure and Catalytic Activity of [Cp*Rh(Substituted Bipyridine)] Complexes for NADH Regeneration.","Inorganic chemistry","2017","56","3","1366","1374","10.1021/acs.inorgchem.6b02474","","","0.71073","MoKα","","0.0647","0.0486","","","0.1245","0.1399","","","","","","1.092","","","","has coordinates","193436","2020-10-21","18:00:00",""
"4345025","9.4946","0.0003","15.339","0.0006","25.346","0.0011","90","","100.172","0.0019","90","","3633.3","0.2","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C79 H71 B2 Cu2 F8 N3 O2 P4 -","- C79 H71 B2 Cu2 F8 N3 O2 P4 -","- C158 H142 B4 Cu4 F16 N6 O4 P8 -","2","1","","Kobayashi, Atsushi; Arata, Ryuya; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako","Effect of Water Coordination on Luminescent Properties of Pyrazine-Bridged Dinuclear Cu(I) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02578","","","0.71075","MoKα","","0.0574","0.0456","","","0.0778","0.0841","","","","","","1.031","","","","has coordinates","190444","2020-10-21","18:00:00",""
"4345028","13.9014","0.0007","6.8299","0.0003","15.2612","0.0008","90","","91.4735","0.0018","90","","1448.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H28 Cl N2 O5 Re -","- C32 H28 Cl N2 O5 Re -","- C64 H56 Cl2 N4 O10 Re2 -","2","1","","Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.","Inorganic chemistry","2017","56","3","1757","1769","10.1021/acs.inorgchem.6b03076","","","0.71073","MoKα","","0.025","0.0232","","","0.0546","0.0557","","","","","","1.212","","","","has coordinates,has disorder","193455","2020-10-21","18:00:00",""
"4345090","7.7437","0.0004","34.1273","0.0017","10.1063","0.0005","90","","90.414","0.002","90","","2670.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 Mg6 O54 P18 -","- Cs6 Mg6 O54 P18 -","- Cs12 Mg12 O108 P36 -","2","1","","Chen, Yi-Gang; Xing, Mei-Ling; Liu, Peng-Fei; Guo, Yao; Yang, Nan; Zhang, Xian-Ming","Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)2.","Inorganic chemistry","2017","56","2","845","851","10.1021/acs.inorgchem.6b02303","","","0.71073","MoKα","","0.04","0.0378","","","0.0873","0.0899","","","","","","1.047","","","","has coordinates","191238","2020-10-21","18:00:00",""
"4345225","10.714","0.002","12.719","0.002","27.457","0.005","90","","100.945","0.004","90","","3673.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H67 N2 O12 P7 Ti -","- C77 H67 N2 O12 P7 Ti -","- C154 H134 N4 O24 P14 Ti2 -","2","1","","Stauber, Julia M.; Cummins, Christopher C.","Terminal Titanyl Complexes of Tri- and Tetrametaphosphate: Synthesis, Structures, and Reactivity with Hydrogen Peroxide.","Inorganic chemistry","2017","56","5","3022","3029","10.1021/acs.inorgchem.6b03149","","","0.71073","MoKα","","0.0494","0.0376","","","0.0845","0.0895","","","","","","1.035","","","","has coordinates","194790","2020-10-21","18:00:00",""
"4345231","12.3851","0.0002","13.2583","0.0004","12.4461","0.0003","90","","94.331","0.002","90","","2037.88","0.09","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C41 H63 Ge N2 P Te -","- C41 H63 Ge N2 P Te -","- C82 H126 Ge2 N4 P2 Te2 -","2","1","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","","0.71073","MoKα","","0.0554","0.0436","","","0.0924","0.1053","","","","","","1.083","","","","has coordinates","192249","2020-10-21","18:00:00",""
"4345275","15.3518","0.0005","17.8347","0.0006","29.6578","0.001","90","","103.208","0.003","90","","7905.3","0.5","175","2","175","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate (re-entrant intermediate phase)","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.1255","0.0941","","","0.2463","0.2889","","","","","","1.046","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345411","5.2473","0.0002","12.9276","0.0008","7.6949","0.0005","90","","96.105","0.004","90","","519.02","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H10 O6 U -","- C8 H10 O6 U -","- C16 H20 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.027","0.0259","","","0.0651","0.0657","","","","","","1.058","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345433","15.434","0.005","5.9394","0.0013","16.198","0.004","90","","91.45","0.02","90","","1484.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","12b","","","- C30 H44 N O4 V -","- C30 H44 N O4 V -","- C60 H88 N2 O8 V2 -","2","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","1.54178","CuKα","","0.1612","0.1107","","","0.2691","0.3158","","","","","","1.076","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345494","14.6912","0.0009","17.7718","0.0011","14.7316","0.0009","90","","94.221","0.004","90","","3835.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 H78 N2 O18 P2 Pt9 -","- C65 H78 N2 O18 P2 Pt9 -","- C130 H156 N4 O36 P4 Pt18 -","2","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0903","0.0566","","","0.1336","0.156","","","","","","0.989","","","","has coordinates,has disorder","193006","2020-10-21","18:00:00",""
"4345540","13.846","0.003","14.677","0.003","30.879","0.006","90","","99.64","0.05","90","","6187","2","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H31 B2 Co N9 -","- C35 H31 B2 Co N9 -","- C280 H248 B16 Co8 N72 -","8","4","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.71073","MoKα","","0.0768","0.066","","","0.1356","0.1427","","","","","","1.173","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345577","14.50564","0.00011","15.06675","0.00007","15.05287","0.00013","90","","118.15","0.001","90","","2900.71","0.05","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31.5 H34 Cl N3 Ni O2 -","- C31.5 H34 Cl N3 Ni O2 -","- C126 H136 Cl4 N12 Ni4 O8 -","4","2","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0238","0.0226","","","0.0534","0.0538","","","","","","1.027","","","","has coordinates,has disorder","194705","2020-10-21","18:00:00",""
"4345578","9.06821","0.00018","12.8272","0.0002","10.32375","0.00019","90","","111.12","0.002","90","","1120.19","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H34 F N3 Ni O2 -","- C22 H34 F N3 Ni O2 -","- C44 H68 F2 N6 Ni2 O4 -","2","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0384","0.0332","","","0.0682","0.071","","","","","","1.068","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345587","8.81923","0.00006","7.67556","0.00005","14.14396","0.00008","90","","94.7211","0.0006","90","","954.192","0.011","110","1","110","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Br N3 Ni O2 -","- C18 H26 Br N3 Ni O2 -","- C36 H52 Br2 N6 Ni2 O4 -","2","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.7107","MoKα","","0.0186","0.0175","","","0.0389","0.0392","","","","","","1.079","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345671","9.3913","0.0017","13.142","0.003","16.586","0.003","90","","93.003","0.003","90","","2044.2","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H66 O Si10 -","- C22 H66 O Si10 -","- C44 H132 O2 Si20 -","2","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0949","0.0787","","","0.162","0.1727","","","","","","1.081","","","","has coordinates,has disorder","195383","2020-10-21","18:00:00",""
"4345713","12.0214","0.0018","23.478","0.003","14.757","0.002","90","","93.964","0.003","90","","4155","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 F6 Ir N6 P -","- C36 H26 F6 Ir N6 P -","- C144 H104 F24 Ir4 N24 P4 -","4","2","","Cho, Yang-Jin; Kim, So-Yoen; Choi, Chang Min; Kim, Nam Joon; Kim, Chul Hoon; Cho, Dae Won; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Photophysics and Excited-State Properties of Cyclometalated Iridium(III)-Platinum(II) and Iridium(III)-Iridium(III) Bimetallic Complexes Bridged by Dipyridylpyrazine.","Inorganic chemistry","2017","56","9","5305","5315","10.1021/acs.inorgchem.7b00384","","","0.71073","MoKα","","0.1167","0.0622","","","0.1344","0.1567","","","","","","0.873","","","","has coordinates","196123","2020-10-21","18:00:00",""
"4345718","12.0189","0.0002","23.7073","0.0004","15.0077","0.0003","90","","97.4873","0.0016","90","","4239.77","0.13","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H57 Li2 N2 O2.5 P -","- C46 H57 Li2 N2 O2.5 P -","- C184 H228 Li8 N8 O10 P4 -","4","2","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0778","0.058","","","0.1277","0.1384","","","","","","1.035","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345771","8.9776","0.0018","35.496","0.007","11.535","0.002","90","","98.931","0.002","90","","3631.3","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H56 Al N4 O1.5 -","- C36 H56 Al N4 O1.5 -","- C144 H224 Al4 N16 O6 -","4","2","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Unusual Reactions of NacNacAl with Urea and Phosphine Oxides","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00716","","","0.71073","MoKα","","0.0802","0.0517","","","0.1169","0.1316","","","","","","0.989","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4345776","12.517","0.003","9.635","0.003","15.316","0.004","90","","111.68","0.005","90","","1716.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H45 Eu N6 O13 -","- C28 H45 Eu N6 O13 -","- C56 H90 Eu2 N12 O26 -","2","1","","Pollet, Rodolphe; Bonnet, Célia S; Retailleau, Pascal; Durand, Philippe; Tóth, Éva","Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies and ab Initio Metadynamics Simulation.","Inorganic chemistry","2017","56","8","4317","4323","10.1021/acs.inorgchem.6b02773","","","0.71073","MoKα","","0.0617","0.0392","","","0.0638","0.0715","","","","","","1.031","","","","has coordinates","195959","2020-10-21","18:00:00",""
"4345785","8.6486","0.0003","12.8515","0.0005","11.9232","0.0005","90","","91.1061","0.0008","90","","1324.99","0.09","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 Cl4 Co2 N6 O4 -","- C18 H32 Cl4 Co2 N6 O4 -","- C36 H64 Cl8 Co4 N12 O8 -","2","1","","Burns, Patrick J.; Cox, Jordan M.; Morrow, Janet R.","Imidazole-Appended Macrocyclic Complexes of Fe(II), Co(II), and Ni(II) as ParaCEST Agents.","Inorganic chemistry","2017","56","8","4546","4555","10.1021/acs.inorgchem.7b00176","","x-ray","0.71073","MoKα","K-L~3~","0.0222","0.0212","","","0.0524","0.0529","","","","","","1.03","","","","has coordinates","195964","2020-10-21","18:00:00",""
"4345892","11.4065","0.0003","15.6419","0.0005","21.1122","0.0007","90","","91.21","0.004","90","","3766","0.2","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Fe6 N2 O17 -","- C29 H32 Fe6 N2 O17 -","- C116 H128 Fe24 N8 O68 -","4","2","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0402","0.0352","","","0.0746","0.0773","","","","","","1.054","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4345894","11.0889","0.0016","14.517","0.002","18.902","0.003","90","","101.209","0.004","90","","2984.8","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H40 Fe6 O16 P2 -","- C65 H40 Fe6 O16 P2 -","- C130 H80 Fe12 O32 P4 -","2","1","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0383","0.0363","","","0.0911","0.0924","","","","","","1.067","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4345968","12.46086","0.00015","34.0625","0.0003","13.54015","0.00016","90","","110.611","0.0013","90","","5379.22","0.11","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C105 H64 B2 Cl2 F48 I2 O4 P2 -","- C105 H64 B2 Cl2 F48 I2 O4 P2 -","- C210 H128 B4 Cl4 F96 I4 O8 P4 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0363","0.0354","","","0.0887","0.0894","","","","","","1.037","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4346141","10.557","0.001","17.4081","0.0017","19.9446","0.0018","90","","91.141","0.002","90","","3664.6","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","in manuscript 3c","","","- C34 H46 Cl4 N2 P2 Ru -","- C34 H46 Cl4 N2 P2 Ru -","- C136 H184 Cl16 N8 P8 Ru4 -","4","2","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.1421","0.0765","","","0.1059","0.1268","","","","","","1.031","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346155","8.8457","0.0006","16.1012","0.0011","12.9373","0.0009","90","","104.384","0.001","90","","1784.9","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H49 F6 Fe N4 O3 P -","- C32 H49 F6 Fe N4 O3 P -","- C64 H98 F12 Fe2 N8 O6 P2 -","2","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.0312","0.0303","","","0.0816","0.0824","","","","","","1.035","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346161","12.623","0.002","9.6011","0.0018","17.401","0.003","90","","97.137","0.004","90","","2092.6","0.6","100","0.5","100","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","holtd37","","","- C48 H63 Co N3 -","- C48 H63 Co N3 -","- C96 H126 Co2 N6 -","2","1","","Bonyhady, Simon J.; Goldberg, Jonathan M.; Wedgwood, Nicole; Dugan, Thomas R.; Eklund, Andrew G.; Brennessel, William W.; Holland, Patrick L.","Cobalt(II) Complex of a Diazoalkane Radical Anion.","Inorganic chemistry","2015","54","11","5148","5150","10.1021/acs.inorgchem.5b00673","","","0.71073","MoKα","","0.1075","0.0636","","","0.1336","0.1522","","","","","","0.923","","","","has coordinates","231634","2020-10-21","18:00:00",""
"4346396","13.4084","0.0004","21.1279","0.0006","17.1012","0.0006","90","","104.33","0.002","90","","4693.9","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H53 Cl F12 P6 Re Sb2 -","- C36 H53 Cl F12 P6 Re Sb2 -","- C144 H212 Cl4 F48 P24 Re4 Sb8 -","4","2","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0522","0.0387","","","0.0706","0.0747","","","","","","0.985","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346405","10.863","0.002","19.489","0.004","13.226","0.003","90","","108.25","0.03","90","","2659.2","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H36 F14 Gd2 N4 O10 -","- C52 H36 F14 Gd2 N4 O10 -","- C104 H72 F28 Gd4 N8 O20 -","2","1","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0472","0.0437","","","0.1049","0.1079","","","","","","0.985","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346406","10.86","0.002","19.431","0.004","13.198","0.003","90","","108","0.03","90","","2648.7","1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H36 F14 N4 O10 Tb2 -","- C52 H36 F14 N4 O10 Tb2 -","- C104 H72 F28 N8 O20 Tb4 -","2","1","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0511","0.0461","","","0.1017","0.1056","","","","","","1.037","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346407","10.959","0.002","19.531","0.004","13.299","0.003","90","","108.3","0.03","90","","2702.6","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H36 Dy2 F14 N4 O10 -","- C52 H36 Dy2 F14 N4 O10 -","- C104 H72 Dy4 F28 N8 O20 -","2","1","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0613","0.051","","","0.0939","0.1011","","","","","","0.952","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346441","8.9821","0.0002","16.1921","0.0003","10.7742","0.0002","90","","101.161","0.002","90","","1537.35","0.05","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C32 H43 Mo2 O2 P S -","- C32 H43 Mo2 O2 P S -","- C64 H86 Mo4 O4 P2 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Electronic Structure and Multisite Basicity of the Pyramidal Phosphinidene-Bridged Dimolybdenum Complex [Mo2(η(5)-C5H5)(μ-κ(1):κ(1),η(5)-PC5H4)(η(6)-C6H3(t)Bu3)(CO)2(PMe3)].","Inorganic chemistry","2015","54","20","9810","9820","10.1021/acs.inorgchem.5b01527","","x-ray","1.54184","CuKα","","0.0402","0.0359","","","0.0884","0.092","","","","","","1.066","","","","has coordinates","231778","2020-10-21","18:00:00",""
"4346449","11.2768","0.0007","6.4518","0.0003","15.123","0.0007","90","","105.614","0.006","90","","1059.68","0.1","104.9","0.4","104.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one","","- C28 H19 N5 O -","- C28 H19 N5 O -","- C56 H38 N10 O2 -","2","1","","Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna","Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.","Inorganic chemistry","2015","54","17","8423","8435","10.1021/acs.inorgchem.5b01533","","x-ray","0.71073","MoKα","","0.0676","0.0517","","","0.1231","0.1329","","","","","","1.116","","","","has coordinates","231782","2020-10-21","18:00:00",""
"4346503","13.7203","0.0003","20.5494","0.0003","14.5519","0.0002","90","","110.097","0.002","90","","3853.01","0.12","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H120 Cl N9 Na6 Si10 -","- C42 H120 Cl N9 Na6 Si10 -","- C84 H240 Cl2 N18 Na12 Si20 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0389","0.0319","","","0.0726","0.0761","","","","","","1.023","","","","has coordinates","231815","2020-10-21","18:00:00",""
"4346504","13.7374","0.0003","20.605","0.0003","14.5508","0.0003","90","","110.422","0.003","90","","3859.87","0.15","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H120 Br N9 Na6 Si10 -","- C42 H120 Br N9 Na6 Si10 -","- C84 H240 Br2 N18 Na12 Si20 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0601","0.0434","","","0.0805","0.087","","","","","","0.992","","","","has coordinates","231815","2020-10-21","18:00:00",""
"4346507","13.3519","0.0003","15.3554","0.0005","15.3294","0.0004","90","","105.646","0.002","90","","3026.44","0.15","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H98 I N7 Na4 Si6 -","- C38 H98 I N7 Na4 Si6 -","- C76 H196 I2 N14 Na8 Si12 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","1.54184","CuKα","","0.0564","0.0462","","","0.1106","0.1174","","","","","","1.029","","","","has coordinates","231815","2020-10-21","18:00:00",""
"4346652","11.6137","0.0008","20.4729","0.0011","12.3998","0.0009","90","","107.789","0.008","90","","2807.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H75 Cr F N3 Ni2 O12 -","- C48 H75 Cr F N3 Ni2 O12 -","- C96 H150 Cr2 F2 N6 Ni4 O24 -","2","1","","Walsh, James P. S.; Meadows, Sarah B.; Ghirri, Alberto; Moro, Fabrizio; Jennings, Martin; Smith, William F.; Graham, Darren M.; Kihara, Takumi; Nojiri, Hiroyuki; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component.","Inorganic chemistry","2015","54","24","12019","12026","10.1021/acs.inorgchem.5b01898","","","0.71073","MoKα","","0.0996","0.0738","","","0.1683","0.1983","","","","","","1.073","","","","has coordinates,has disorder","231903","2020-10-21","18:00:00",""
"4346668","13.0896","0.0001","26.0217","0.0003","18.9023","0.0002","90","","95.741","0.001","90","","6406.09","0.11","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C66 H71 Cl4 N10 Na O6 Rh Sn -","- C66 H71 Cl4 N10 Na O6 Rh Sn -","- C264 H284 Cl16 N40 Na4 O24 Rh4 Sn4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.067","0.0477","","","0.0891","0.0964","","","","","","1.031","","","","has coordinates","231912","2020-10-21","18:00:00",""
"4346742","8.471","0.006","22.725","0.018","10.833","0.008","90","","103.12","0.016","90","","2031","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Cl3 Fe N8 O11 -","- C41 H33 Cl3 Fe N8 O11 -","- C82 H66 Cl6 Fe2 N16 O22 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.71073","MoKα","","0.0713","0.0493","","","0.0758","0.0835","","","","","","0.988","","","","has coordinates","231947","2020-10-21","18:00:00",""
"4346743","8.6059","0.0004","23.091","0.0009","10.8988","0.0004","90","","103.08","0.003","90","","2109.61","0.15","350","2","350","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Cl3 Fe N8 O11 -","- C41 H33 Cl3 Fe N8 O11 -","- C82 H66 Cl6 Fe2 N16 O22 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.067","0.0479","","","0.1156","0.1262","","","","","","1","","","","has coordinates","231948","2020-10-21","18:00:00",""
"4346759","7.9598","0.0016","14.847","0.003","11.959","0.002","90","","100.12","0.03","90","","1391.3","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H17 Cl4 F6 N3 O3 P Re -","- C22 H17 Cl4 F6 N3 O3 P Re -","- C44 H34 Cl8 F12 N6 O6 P2 Re2 -","2","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0411","0.0324","","","0.0635","0.066","","","","","","1.019","","","","has coordinates,has disorder","231964","2020-10-21","18:00:00",""
"4346764","8.0245","0.0006","14.7573","0.0011","11.9344","0.0009","90","","100.46","0.003","90","","1389.79","0.18","105","","105","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl4 F6 Mn N3 O3 P -","- C22 H16 Cl4 F6 Mn N3 O3 P -","- C44 H32 Cl8 F12 Mn2 N6 O6 P2 -","2","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","x-ray","1.34139","GaKα","","0.0442","0.0432","","","0.1182","0.1188","","","","","","1.074","","","","has coordinates,has disorder","231969","2020-10-21","18:00:00",""
"4346943","11.0598","0.0007","16.9292","0.0011","11.8567","0.0008","90","","100.879","0.008","90","","2180.1","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Mo O11 P S4 -","- C41 H43 Mo O11 P S4 -","- C82 H86 Mo2 O22 P2 S8 -","2","1","","Sugimoto, Hideki; Sato, Masanori; Asano, Kaori; Suzuki, Takeyuki; Mieda, Kaoru; Ogura, Takashi; Matsumoto, Takashi; Giles, Logan J.; Pokhrel, Amrit; Kirk, Martin L.; Itoh, Shinobu","A Model for the Active-Site Formation Process in DMSO Reductase Family Molybdenum Enzymes Involving Oxido-Alcoholato and Oxido-Thiolato Molybdenum(VI) Core Structures.","Inorganic chemistry","2016","55","4","1542","1550","10.1021/acs.inorgchem.5b02395","","","1.54187","CuKα","","0.0827","0.0556","","","0.1233","0.1335","","","","","","0.93","","","","has coordinates,has disorder","275194","2022-05-07","02:54:03",""
"4346984","10.1391","0.0009","11.913","0.0006","17.539","0.0005","90","","102.792","0.004","90","","2065.9","0.2","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H48 B4 N2 O6 Sn -","- C36 H40 B4 N2 O6 Sn -","- C72 H80 B8 N4 O12 Sn2 -","2","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.0371","0.0307","","","0.0639","0.0675","","","","","","1.088","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346991","16.335","0.003","22.032","0.004","20.936","0.004","90","","111.393","0.002","90","","7016","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H26.5 Cl N6.25 O6.25 Ru -","- C35 H26.5 Cl N6.5 O6 Ru -","- C280 H212 Cl8 N52 O48 Ru8 -","8","4","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0765","0.068","","","0.1449","0.1522","","","","","","1.083","","","","has coordinates","232095","2020-10-21","18:00:00",""
"4347039","12.7309","0.0007","21.1741","0.0015","14.8684","0.0013","90","","110.373","0.007","90","","3757.3","0.5","123","1","123","1","","","","","","","see text","10","P 1 21 1","P 2yb","4","","","","- C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9 -","- C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9 -","- C144 H130 B2 Br4 Cl4 Cu6 F8 Mo2 O4 P18 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","0.71073","MoKα","","0.0438","0.0378","","","0.0834","0.087","","","","","","1.027","","","","has coordinates","232134","2020-10-21","18:00:00",""
"4347102","8.8123","0.0005","15.0897","0.0008","15.0874","0.0008","90","","91.709","0.002","90","","2005.35","0.19","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H36 P2 Se -","- C16 H36 P2 Se -","- C64 H144 P8 Se4 -","4","2","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.0293","0.0264","","","0.0631","0.0724","","","","","","1.098","","","","has coordinates","232169","2020-10-21","18:00:00",""
"4347107","10.071","0.002","14.881","0.003","18.59","0.004","90","","105.257","0.01","90","","2687.8","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H55 Br4 N7 P2 Pd2 -","- C51 H55 Br4 N7 P2 Pd2 -","- C102 H110 Br8 N14 P4 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0301","0.0277","","","0.063","0.064","","","","","","1.023","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347123","14.1679","0.0002","27.6422","0.0006","28.2611","0.0004","90","","90.295","0.001","90","","11067.8","0.3","133","2","133","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C104 H84 Br4 F24 Fe4 N28 O4 P4 -","- C104 H84 Br4 F24 Fe4 N28 O4 P4 -","- C416 H336 Br16 F96 Fe16 N112 O16 P16 -","4","2","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0919","0.0639","","","0.1211","0.1303","","","","","","1.052","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347135","10.295","0.001","19.769","0.002","10.659","0.001","90","","118.39","","90","","1908.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0635","0.0491","","","0.09","0.0973","","","","","","1.019","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347136","10.2456","0.0007","19.6746","0.001","10.6121","0.0007","90","0.009","118.41","","90","","1881.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0443","0.036","","","0.0657","0.0696","","","","","","1.018","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347156","9.9391","0.0013","17.044","0.002","12.5225","0.0016","90","","111.329","0.002","90","","1976","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H42 Cu O P3 S2 -","- C43 H42 Cu O P3 S2 -","- C86 H84 Cu2 O2 P6 S4 -","2","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0674","0.0514","","","0.095","0.1054","","","","","","1.046","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347170","15.27","0.002","28.15","0.004","15.629","0.002","90","","105.604","0.002","90","","6470.5","1.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H150 Mg N8 O39 -","- C120 H150 Mg N8 O39 -","- C240 H300 Mg2 N16 O78 -","2","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.2116","0.0877","","","0.2206","0.2888","","","","","","1.003","","","","has coordinates,has disorder","232200","2020-10-21","18:00:00",""
"4347171","15.3014","0.0019","27.68","0.003","16.636","0.002","90","","105.048","0.002","90","","6804.4","1.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H146 N8 O37 Zn -","- C120 H146 N8 O37 Zn -","- C240 H292 N16 O74 Zn2 -","2","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.1802","0.0839","","","0.2112","0.2674","","","","","","0.979","","","","has coordinates","232201","2020-10-21","18:00:00",""
"4347283","9.114","0.004","23.93","0.009","9.382","0.006","90","","118.185","0.006","90","","1803.6","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O12 S2 Zn -","- C29 H45 N5 O12 S2 Zn -","- C58 H90 N10 O24 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0432","0.0353","","","0.0765","0.0809","","","","","","0.931","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347284","9.11","0.002","23.907","0.005","9.373","0.002","90","","118.197","0.004","90","","1799.1","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O12 S2 Zn -","- C29 H45 N5 O12 S2 Zn -","- C58 H90 N10 O24 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0383","0.0282","","","0.0573","0.0596","","","","","","0.93","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347297","12.3002","","18.8899","","13.1157","","90","","100.694","","90","","2994.5","","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I2 N4 O Pt -","- C8 H14 I2 N4 O0.5 Pt -","- C64 H112 I16 N32 O4 Pt8 -","8","4","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0266","0.0221","","","0.0513","0.0525","","","","","","0.993","","","","has coordinates","232252","2020-10-21","18:00:00",""
"4347330","8.815","0.002","16.427","0.003","10.972","0.002","90","","113.64","0.02","90","","1455.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H47 Cl2 N Si -","- C30 H47 Cl2 N Si -","- C60 H94 Cl4 N2 Si2 -","2","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.56086","AgKα","","0.0293","0.0263","","","0.0617","0.0632","","","","","","1.025","","","","has coordinates","232269","2020-10-21","18:00:00",""
"4347404","11.2456","0.0002","7.2679","0.0001","14.5517","0.0003","90","","109.493","0.001","90","","1121.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 B N3 Si -","- C24 H26 B N3 Si -","- C48 H52 B2 N6 Si2 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0415","0.0368","","","0.0811","0.0834","","","","","","1.054","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347436","11.506","0.002","19.009","0.003","23.954","0.005","90","","98.401","0.002","90","","5182.9","1.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H48 Cu2 I2 P4 -","- C60 H48 Cu2 I2 P4 -","- C240 H192 Cu8 I8 P16 -","4","2","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0607","0.0472","","","0.0867","0.0966","","","","","","1.109","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347437","11.2578","0.0004","18.9921","0.0007","11.9431","0.0004","90","","97.833","0.002","90","","2529.72","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H46 Cu2 I2 N2 P4 -","- C58 H46 Cu2 I2 N2 P4 -","- C116 H92 Cu4 I4 N4 P8 -","2","1","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0318","0.0307","","","0.0776","0.0788","","","","","","1.05","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347439","11.2852","0.0013","23.666","0.003","11.4497","0.0013","90","","93.887","0.002","90","","3050.9","0.6","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","Fe2C44H64N16S2Cl4O20","","- C44 H64 Cl4 Fe2 N16 O20 S2 -","- C44 H64 Cl4 Fe2 N16 O20 S2 -","- C88 H128 Cl8 Fe4 N32 O40 S4 -","2","1","","Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva","Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.","Inorganic chemistry","2016","55","13","6414","6419","10.1021/acs.inorgchem.6b00163","","x-ray","0.71073","MoKα","","0.0468","0.039","","","0.0897","0.0933","","","","","","1.037","","","","has coordinates,has disorder","232316","2020-10-21","18:00:00",""
"4347440","11.2504","0.0007","23.3121","0.0017","11.3825","0.0006","90","","93.733","0.002","90","","2979","0.3","173.15","","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H64 B4 F16 Fe2 N16 O4 S2 -","- C44 H64 B4 F16 Fe2 N16 O4 S2 -","- C88 H128 B8 F32 Fe4 N32 O8 S4 -","2","1","","Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva","Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.","Inorganic chemistry","2016","55","13","6414","6419","10.1021/acs.inorgchem.6b00163","","x-ray","0.71073","MoKα","","0.0496","0.0369","","","0.0803","0.0844","","","","","","0.956","","","","has coordinates,has disorder","232317","2020-10-21","18:00:00",""
"4347494","15.356","0.003","19.003","0.004","21.354","0.004","90","","90.029","0.004","90","","6231","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H191 Na3 O19 Zr2 -","- C122 H187.96 Na3 O19 Zr2 -","- C244 H375.92 Na6 O38 Zr4 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.0929","0.0701","","","0.1618","0.1869","","","","","","1.075","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347510","10.4027","0.0013","12.3519","0.0011","10.4989","0.0009","90","","119.58","0.002","90","","1173.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H32 F6 K O6 P Si2 -","- C14 H32 F6 K O6 P Si2 -","- C28 H64 F12 K2 O12 P2 Si4 -","2","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0474","0.033","","","0.0564","0.0603","","","","","","1.02","","","","has coordinates","232351","2020-10-21","18:00:00",""
"4347553","10.293","0.005","16.785","0.005","11.494","0.005","90","","109.527","0.005","90","","1871.6","1.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 I4 O2 P2 Sn -","- C36 H30 I4 O2 P2 Sn -","- C72 H60 I8 O4 P4 Sn2 -","2","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","","0.71069","MoKα","","0.0294","0.0249","","","0.0398","0.0418","","","","","","1.016","","","","has coordinates","232377","2020-10-21","18:00:00",""
"4347586","7.0747","0.0002","14.7836","0.0005","12.4276","0.0004","90","","91.112","0.002","90","","1299.55","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","pvib192B","","","- C20 H45 Cl2 Co N P2 -","- C20 H45 Cl2 Co N P2 -","- C40 H90 Cl4 Co2 N2 P4 -","2","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0402","0.0282","","","0.0483","0.051","","","","","","1.02","","","","has coordinates","232391","2020-10-21","18:00:00",""
"4347600","10.488","0.004","17.139","0.007","23.142","0.009","90","","97.287","0.009","90","","4126","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H65 N3 O Si2 Zn -","- C37 H65 N3 O Si2 Zn -","- C148 H260 N12 O4 Si8 Zn4 -","4","2","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.1803","0.1152","","","0.2782","0.3263","","","","","","1.016","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347602","15.123","0.002","10.8882","0.0014","16.463","0.002","90","","111.496","0.003","90","","2522.3","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H65 N3 O Si2 Zn -","- C45 H65 N3 O Si2 Zn -","- C90 H130 N6 O2 Si4 Zn2 -","2","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.093","0.0622","","","0.1359","0.1487","","","","","","0.937","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347609","9.04","0.002","18.65","0.005","10.217","0.003","90","","93.598","0.003","90","","1719.2","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H20 Br8 Co N3 O5 -","- C28 H20 Br8 Co N3 O5 -","- C56 H40 Br16 Co2 N6 O10 -","2","1","","Panja, Anangamohan; Jana, Narayan Ch; Bauzá, Antonio; Frontera, Antonio; Mathonière, Corine","Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism.","Inorganic chemistry","2016","55","17","8331","8340","10.1021/acs.inorgchem.6b00402","","","0.71073","MoKα","","0.052","0.0397","","","0.0894","0.0947","","","","","","0.997","","","","has coordinates","232404","2020-10-21","18:00:00",""
"4347613","12.0424","0.0008","18.9648","0.0013","15.3577","0.001","90","","108.771","0.002","90","","3320.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(S)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C40 H36 N2 O4 Zn -","- C40 H36 N2 O4 Zn -","- C160 H144 N8 O16 Zn4 -","4","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0511","0.0364","","","0.0665","0.0708","","","","","","0.967","","","","has coordinates","232407","2020-10-21","18:00:00",""
"4347614","12.0388","0.0009","19.0223","0.0014","15.342","0.0011","90","","108.78","0.002","90","","3326.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(R)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C40 H36 N2 O4 Zn -","- C40 H36 N2 O4 Zn -","- C160 H144 N8 O16 Zn4 -","4","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0509","0.0364","","","0.0643","0.0682","","","","","","0.946","","","","has coordinates","232408","2020-10-21","18:00:00",""
"4347641","18.3758","0.0009","9.1185","0.0004","18.809","0.0008","90","","113.237","0.001","90","","2896","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Fe N5 O10 -","- C25 H31 Cl2 Fe N5 O10 -","- C100 H124 Cl8 Fe4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.031","0.0274","","","0.0664","0.0681","","","","","","1.058","","","","has coordinates","232415","2020-10-21","18:00:00",""
"4347642","18.306","0.0011","9.1269","0.0005","18.7659","0.001","90","","113.5","0.002","90","","2875.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Co N5 O10 -","- C25 H31 Cl2 Co N5 O10 -","- C100 H124 Cl8 Co4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0424","0.0329","","","0.073","0.0777","","","","","","1.047","","","","has coordinates","232416","2020-10-21","18:00:00",""
"4347643","18.4837","0.0011","9.1361","0.0005","18.7481","0.0011","90","","113.011","0.001","90","","2914.1","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Mn N5 O10 -","- C25 H31 Cl2 Mn N5 O10 -","- C100 H124 Cl8 Mn4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0951","0.0656","","","0.1449","0.1583","","","","","","1.04","","","","has coordinates","232417","2020-10-21","18:00:00",""
"4347720","6.1804","0.0002","10.9724","0.0004","16.4113","0.0005","90","","90.271","0.002","90","","1112.9","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N Si2 -","- C22 H25 N Si2 -","- C44 H50 N2 Si4 -","2","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71073","MoKα","","0.0602","0.0559","","","0.1297","0.1313","","","","","","1.16","","","","has coordinates","232467","2020-10-21","18:00:00",""
"4347774","6.0756","0.0002","18.8919","0.0005","12.6638","0.0004","90","","101.55","0.002","90","","1424.11","0.08","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N P -","- C36 H32 N P -","- C72 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.1018","0.0755","","","0.1354","0.1495","","","","","","1.213","","","","has coordinates","232493","2020-10-21","18:00:00",""
"4347851","8.9809","0.0004","11.5439","0.0003","11.9873","0.0005","90","","111.512","0.005","90","","1156.21","0.09","123.01","0.1","123.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H22 F N O2 Pt S2 -","- C26 H22 F N O2 Pt S2 -","- C52 H44 F2 N2 O4 Pt2 S4 -","2","1","","Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał","Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2016","55","15","7457","7466","10.1021/acs.inorgchem.6b00704","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0811","0.0819","","","","","","1.036","","","","has coordinates,has disorder","232540","2020-10-21","18:00:00",""
"4347880","10.5931","0.0013","25.176","0.003","12.9215","0.0015","90","","102.843","0.002","90","","3359.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(triphenylphosphine)iminium hydrogentrimetaphosphate","","- C76 H69 N2 O10 P7 -","- C75.988 H68.976 N2 O9.997 P7 -","- C151.976 H137.952 N4 O19.994 P14 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0342","0.0326","","","0.0857","0.0868","","","","","","1.059","","","","has coordinates,has disorder","232559","2020-10-21","18:00:00",""
"4347899","9.9545","0.0003","13.1364","0.0004","11.0094","0.0003","90","","101.703","0.003","90","","1409.73","0.07","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Mn-INA-1","","","- C54 H32 Mn4 N10 O17 -","- C54 H32 Mn4 N10 O17 -","- C54 H32 Mn4 N10 O17 -","1","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0464","0.0336","","","0.109","0.1138","","","","","","1.064","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347900","10.069","0.003","12.946","0.003","11.319","0.003","90","","101.318","0.004","90","","1446.8","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H10 F4 Mn2 N5 O9 -","- C27 H10 F4 Mn2 N5 O9 -","- C54 H20 F8 Mn4 N10 O18 -","2","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.103","0.0754","","","0.2107","0.2294","","","","","","1.045","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347910","13.2087","0.0003","20.7679","0.0006","20.2938","0.0005","90","","94.776","0.002","90","","5547.6","0.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C65.5 H54 B Cl Cu F4 N4 O1.5 P2 -","- C65.5 H54 B Cl Cu F4 N4 O1.5 P2 -","- C262 H216 B4 Cl4 Cu4 F16 N16 O6 P8 -","4","2","","Liang, Dong; Chen, Xu-Lin; Liao, Jian-Zhen; Hu, Jin-Yu; Jia, Ji-Hui; Lu, Can-Zhong","Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices.","Inorganic chemistry","2016","55","15","7467","7475","10.1021/acs.inorgchem.6b00763","","","1.54184","CuKα","","0.0422","0.0377","","","0.0965","0.1012","","","","","","1.037","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4348010","12.91754","0.00014","12.61987","0.00012","15.1223","0.0002","90","","108.497","0.0013","90","","2337.85","0.05","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H80 Cs2 N6 Si4 -","- C32 H80 Cs2 N6 Si4 -","- C64 H160 Cs4 N12 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0273","0.0248","","","0.0514","0.0522","","","","","","1.046","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348049","8.6564","0.0008","6.4176","0.0006","21.0175","0.0019","90","","99.396","0.002","90","","1151.93","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N2 O P -","- C27 H29 N2 O P -","- C54 H58 N4 O2 P2 -","2","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","","0.71073","MoKα","","0.0561","0.0436","","","0.0908","0.0959","","","","","","1.014","","","","has coordinates","232701","2020-10-21","18:00:00",""
"4348337","12.6171","0.0005","7.1137","0.0003","38.2093","0.0012","90","","99.017","0.002","90","","3387.1","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Lead(II) acetate. polymorph alpha","'Lead(II) acetate. alpha polymorph'","","- C40 H60 O40 Pb10 -","- C40 H60 O40 Pb10 -","- C80 H120 O80 Pb20 -","2","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","1.54178","CuKα","","0.0626","0.0525","","","0.13","0.1361","","","","","","1.028","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348502","13.7778","0.0005","16.8338","0.0007","14.165","0.0006","90","","116.862","0.002","90","","2930.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81 H52 Ir N7 -","- C81 H52 Ir N7 -","- C162 H104 Ir2 N14 -","2","1","","Lepeltier, Marc; Appaix, Florence; Liao, Yuan Yuan; Dumur, Frédéric; Marrot, Jérôme; Le Bahers, Tangui; Andraud, Chantal; Monnereau, Cyrille","Carbazole-Substituted Iridium Complex as a Solid State Emitter for Two-Photon Intravital Imaging.","Inorganic chemistry","2016","55","19","9586","9595","10.1021/acs.inorgchem.6b01253","","","0.71073","MoKα","","0.0328","0.0242","","","0.0504","0.0523","","","","","","1.159","","","","has coordinates,has disorder","233024","2020-10-21","18:00:00",""
"4348540","18.8039","0.0003","12.5654","0.0001","21.0568","0.0003","90","","111.442","0.002","90","","4630.92","0.12","123","2","123","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C44 H42 Ag2 F6 N6 O10 S2 -","- C44 H42 Ag2 F6 N6 O10 S2 -","- C176 H168 Ag8 F24 N24 O40 S8 -","4","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0635","0.052","","","0.1304","0.1416","","","","","","1.017","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348542","12.818","0.005","11.676","0.005","14.992","0.005","90","0.005","95.998","0.005","90","0.005","2231.5","1.5","100","2","100","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C51 H40 Ag B Cl2 F4 N6 O4 -","- C51 H40 Ag B Cl2 F4 N6 O4 -","- C102 H80 Ag2 B2 Cl4 F8 N12 O8 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0527","0.0525","","","0.1411","0.1414","","","","","","1.057","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348543","13.6217","0.0005","21.2392","0.0008","13.9381","0.0006","90","","117.097","0.005","90","","3589.9","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H59 Ag2 Cl2 F6 N9 O12 S2 -","- C78 H59 Ag2 Cl2 F6 N9 O12 S2 -","- C156 H118 Ag4 Cl4 F12 N18 O24 S4 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0864","0.0685","","","0.1857","0.2076","","","","","","1.026","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348544","13.7551","0.0009","21.2733","0.0009","13.9694","0.0008","90","","116.471","0.008","90","","3659.1","0.4","150","1","150","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C76 H59 Ag2 Cl2 F12 N9 O6 Sb2 -","- C76 H59 Ag2 Cl2 F12 N9 O6 Sb2 -","- C152 H118 Ag4 Cl4 F24 N18 O12 Sb4 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0851","0.0774","","","0.2223","0.2308","","","","","","1.088","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348545","9.9624","0.0002","27.3747","0.0006","18.1167","0.0003","90","","95.148","0.002","90","","4920.82","0.17","123","2","123","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","","","- C39 H57 Au4 Cl4 N6 O5.5 -","- C39 H57 Au4 Cl4 N6 O5.5 -","- C156 H228 Au16 Cl16 N24 O22 -","4","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0504","0.0474","","","0.1233","0.1263","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4348560","10.798","0.001","22.303","0.002","11.3535","0.0009","90","","91.038","0.004","90","","2733.8","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C58 H52 Au2 N8 O2 P2 S2 -","- C58 H52 Au2 N8 O2 P2 S2 -","- C116 H104 Au4 N16 O4 P4 S4 -","2","1","","González-Barcia, Luis M; Romero, María J; González Noya, Ana M; Bermejo, Manuel R.; Maneiro, Marcelino; Zaragoza, Guillermo; Pedrido, Rosa","""The Golden Method"": Electrochemical Synthesis Is an Efficient Route to Gold Complexes.","Inorganic chemistry","2016","55","16","7823","7825","10.1021/acs.inorgchem.6b01362","","x-ray","0.7107","MoKα","","0.0825","0.0606","","","0.1342","0.1446","","","","","","1.004","","","","has coordinates","233091","2020-10-21","18:00:00",""
"4348646","12.1218","0.0005","44.069","0.002","13.7866","0.0007","90","","92.743","0.003","90","","7356.3","0.6","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H32 Co9 N16 Na O124 P2 W20 -","- C32 H32 Co9 N16 Na O124 P2 W20 -","- C64 H64 Co18 N32 Na2 O248 P4 W40 -","2","1","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.0508","0.0419","","","0.0958","0.0993","","","","","","0.996","","","","has coordinates","233221","2020-10-21","18:00:00",""
"4348654","11.837","0.002","15.715","0.003","11.986","0.002","90","","101.343","0.002","90","","2186.1","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","LFeCo","","","- C43 H68 Co Fe N4 O P3 -","- C43 H68 Co Fe N4 O P3 -","- C86 H136 Co2 Fe2 N8 O2 P6 -","2","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.066","0.0515","","","0.1284","0.1406","","","","","","1.034","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348655","15.339","0.0016","22.659","0.002","17.0592","0.0018","90","","91.217","0.002","90","","5927.9","1","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","LFeFe(ClLi)(THF)3","","","- C53 H88 Cl Fe2 Li N4 O3.5 P3 -","- C53 H88 Cl Fe2 Li N4 O3.5 P3 -","- C212 H352 Cl4 Fe8 Li4 N16 O14 P12 -","4","2","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.182","0.0751","","","0.1267","0.157","","","","","","0.87","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348657","11.9236","0.0007","16.091","0.001","11.9417","0.0007","90","","105.033","0.001","90","","2212.8","0.2","230","2","230","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H68 Co0.95 Fe1.05 N4 O P3 -","- C43 H68 Co0.944 Fe1.056 N4 O P3 -","- C86 H136 Co1.888 Fe2.112 N8 O2 P6 -","2","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.41328","synchrotron","","0.0739","0.0496","","","0.1248","0.1416","","","","","","1.035","","","","has coordinates,has disorder","233231","2020-10-21","18:00:00",""
"4348678","9.5481","0.0003","16.8873","0.0004","11.0965","0.0003","90","","114.067","0.001","90","","1633.68","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H46 Fe N4 -","- C36 H46 Fe N4 -","- C72 H92 Fe2 N8 -","2","1","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine FeII Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","","0.71073","MoKα","","0.0201","0.0196","","","0.0513","0.0515","","","","","","1.063","","","","has coordinates","233262","2020-10-21","18:00:00",""
"4348803","5.2746","0.0016","17.04","0.005","11.407","0.003","90","","94.197","0.005","90","","1022.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H32 Cl2 N4 O6 Zn -","- C12 H28 Cl2 N4 O6 Zn -","- C24 H56 Cl4 N8 O12 Zn2 -","2","1","","Yuan, Shaotang; Nawrocki, Shiri; Stranick, Michael; Yang, Ying; Zheng, Chong; Masters, James G.; Pan, Long","A Water-Soluble Cationic Zinc Lysine Precursor for Coating ZnO on Biomaterial Surfaces.","Inorganic chemistry","2016","55","20","10094","10097","10.1021/acs.inorgchem.6b01663","","","0.71073","MoKα","","0.034","0.0318","","","0.0816","0.083","","","","","","1.18","","","","has coordinates","233368","2020-10-21","18:00:00",""
"4348818","5.8725","0.0005","17.3346","0.0018","6.9668","0.0008","90","","94.346","0.006","90","","707.16","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 Co O14 U -","- C12 Co O14 U -","- C24 Co2 O28 U2 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.083","0.0681","","","0.1802","0.2065","","","","","","1.258","","","","has coordinates","233398","2020-10-21","18:00:00",""
"4348905","11.02","0.002","6.95","0.0014","12.2","0.002","90","","93.3","0.03","90","","932.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H9 Eu O14 -","- C16 H9 Eu O14 -","- C32 H18 Eu2 O28 -","2","1","","Wang, Jian; Jiang, Min; Yan, Ling; Peng, Ren; Huangfu, Mengjie; Guo, Xinxin; Li, Yang; Wu, Pengyan","Multifunctional Luminescent Eu(III)-Based Metal-Organic Framework for Sensing Methanol and Detection and Adsorption of Fe(III) Ions in Aqueous Solution.","Inorganic chemistry","2016","55","24","12660","12668","10.1021/acs.inorgchem.6b01815","","","0.71073","MoKα","","0.0689","0.0634","","","0.1788","0.1984","","","","","","1.03","","","","has coordinates,has disorder","233481","2020-10-21","18:00:00",""
"4348906","11.748","0.002","11.093","0.001","13.278","0.002","90","0.005","100.963","0.002","90","0.005","1698.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H42 Cl N7 Ni2 O12 -","- C24 H34 Cl N7 Ni2 O12 -","- C48 H68 Cl2 N14 Ni4 O24 -","2","1","","Das, Kuheli; Datta, Amitabha; Nandi, Soumendranath; Mane, Sandeep B.; Mondal, Sudipa; Massera, Chiara; Sinha, Chittaranjan; Hung, Chen-Hsiung; Askun, Tulin; Celikboyun, Pinar; Cantürk, Zerrin; Garribba, Eugenio; Akitsu, Takashiro","A Ni(ii) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study","Inorganic Chemistry Frontiers","2015","2","8","749","","10.1039/C5QI00060B","","","0.71069","MoKα","","0.0882","0.0543","","","0.1408","0.1641","","","","","","0.991","","","","has coordinates","233482","2020-10-21","18:00:00",""
"4349022","8.1242","0.0011","8.0394","0.0013","8.4324","0.0012","90","","117.49","0.004","90","","488.57","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 Gd O9 -","- C6 H9 Gd O9 -","- C12 H18 Gd2 O18 -","2","1","","Qiu, Jiang-Zhen; Chen, Yan-Cong; Wang, Long-Fei; Li, Quan-wen; Orendáč, Martin; Tong, Ming-Liang","The effect of magnetic coupling on magneto-caloric behaviour in two 3D Gd(iii)‒glycolate coordination polymers","Inorganic Chemistry Frontiers","2016","3","1","150","","10.1039/C5QI00208G","","","0.71073","MoKα","","0.046","0.0423","","","0.0914","0.1001","","","","","","1.099","","","","has coordinates","233547","2020-10-21","18:00:00",""
"4349054","13.9236","0.0011","13.3642","0.001","17.295","0.0013","90","","112.355","0.001","90","","2976.4","0.4","109.01","","109.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H66 Ca Co2 N8 O12 S6 -","- C54 H66 Ca Co2 N8 O12 S6 -","- C108 H132 Ca2 Co4 N16 O24 S12 -","2","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0556","0.047","","","0.1076","0.1128","","","","","","1.009","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349172","12.638","0.003","23.853","0.005","16.772","0.003","90","","95.94","0.03","90","","5028.8","1.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C180 H134 F48 N32 O3 P8 Ru4 -","- C180 H134 F47.9998 N32 O3 P8 Ru4 -","- C180 H134 F47.9998 N32 O3 P8 Ru4 -","1","0.5","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","Synchrotron","","0.0618","0.0494","","","0.1232","0.1302","","","","","","1.022","","","","has coordinates,has disorder","233658","2020-10-21","18:00:00",""
"4349654","15.23","0.007","13.289","0.006","30.036","0.015","90","","90.567","0.007","90","","6079","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H38 F10 N6 -","- C68 H38 F10 N6 -","- C272 H152 F40 N24 -","4","2","","Das, Sudipta; Bhat, Haamid R.; Balsukuri, Naresh; Jha, Prakash C.; Hisamune, Yutaka; Ishida, Masatosi; Furuta, Hiroyuki; Mori, Shigeki; Gupta, Iti","Donor‒acceptor type A2B2 porphyrins: synthesis, energy transfer, computational and electrochemical studies","Inorganic Chemistry Frontiers","2017","4","4","618","","10.1039/C6QI00558F","","","0.71075","MoKα","","0.1162","0.0972","","","0.2272","0.2422","","","","","","1.074","","","","has coordinates,has disorder","234952","2020-10-21","18:00:00",""
"4349665","8.38","0.007","21.58","0.02","11.072","0.01","90","","109.14","0.04","90","","1892","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","NQHG2 (2)","NQHG2","","- C43 H46 Cl2 N2 O4 Ru -","- C43 H46 Cl2 N2 O4 Ru -","- C86 H92 Cl4 N4 O8 Ru2 -","2","1","","Lastovickova, Dominika N.; Teator, Aaron J.; Shao, Huiling; Liu, Peng; Bielawski, Christopher W.","A redox-switchable ring-closing metathesis catalyst","Inorganic Chemistry Frontiers","2017","4","9","1525","","10.1039/C7QI00018A","","","1.54187","CuKα","","0.0522","0.0381","","","0.0812","0.0885","","","","","","1.039","","","","has coordinates","235728","2020-10-21","18:00:00",""
"4349691","6.0476","0.0003","7.3129","0.0003","14.2223","0.0006","90","","97.885","0.004","90","","623.04","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O W -","- C10 H16 Cl N O W -","- C20 H32 Cl2 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","1.54184","CuKα","","0.0398","0.039","","","0.1078","0.1084","","","","","","1.097","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349740","10.395","0.006","13.176","0.007","10.742","0.004","90","","92.12","0.04","90","","1470.3","1.3","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H24 Cd2 N6 O2 P2 S6 -","- C14 H24 Cd2 N6 O2 P2 S6 -","- C28 H48 Cd4 N12 O4 P4 S12 -","2","1","","Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong","Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]","Inorganic Chemistry Frontiers","2017","4","9","1445","","10.1039/C7QI00300E","","","0.71073","MoKα","","0.1377","0.098","","","0.2511","0.2945","","","","","","1.077","","","","has coordinates","235780","2020-10-21","18:00:00",""
"4349929","12.836","0.0002","17.5755","0.0003","21.942","0.0004","90","","106.264","0.002","90","","4752","0.15","179.9","0.3","179.9","0.3","","","","","","","","7","P 1 21 1","P 2yb","4","","K(18-C-6)MnCl2","","- C45 H63 Cl2 K Mn O6.5 P -","- C45 H63 Cl2 K Mn O6.5 P -","- C180 H252 Cl8 K4 Mn4 O26 P4 -","4","2","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0269","0.0249","","","0.0616","0.0625","","","","","","1.021","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4349968","10.7968","0.0003","16.0879","0.0003","12.1844","0.0003","90","","112.318","0.003","90","","1957.87","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(NNN-iPr-ligand)(CN)(THF)](Me4N)","","","- C40 H57 Cu N5 O3 -","- C40 H57 Cu N5 O3 -","- C80 H114 Cu2 N10 O6 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0375","0.0366","","","0.1008","0.1017","","","","","","1.043","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4350047","12.7939","0.0015","13.5872","0.001","13.4322","0.0009","90","","93.677","0.008","90","","2330.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H50 Cl10 N4 Zn2 -","- C36 H50 Cl10 N4 Zn2 -","- C72 H100 Cl20 N8 Zn4 -","2","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.7107","MoKα","","0.0713","0.0497","","","0.164","0.1951","","","","","","1.139","","","","has coordinates,has disorder","237959","2020-10-21","18:00:00",""
"4350102","7.3965","0.0018","9.957","0.002","13.9","0.003","90","","91.053","0.004","90","","1023.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 Cl2 Cu N4 O4 -","- C19 H22 Cl2 Cu N4 O4 -","- C38 H44 Cl4 Cu2 N8 O8 -","2","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.","A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging","Inorganic Chemistry Frontiers","2019","6","11","3237","","10.1039/C9QI00992B","","","0.71073","MoKα","","0.0405","0.0361","","","0.0905","0.093","","","","","","1.062","","","","has coordinates","237997","2020-10-21","18:00:00",""
"4350209","15.293","0.003","22.333","0.004","21.971","0.004","90","","99.132","0.005","90","","7409","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H126 Cl Co2 N15 O5 -","- C61 H126 Cl Co2 N15 O5 -","- C244 H504 Cl4 Co8 N60 O20 -","4","2","","Zinn, Paul J.; Powell, Douglas R.; Day, Victor W.; Hendrich, Michael P.; Sorrell, Thomas N.; Borovik, A. S.","Pyrazolate-bridging dinucleating ligands containing hydrogen-bond donors: synthesis and structure of their cobalt analogues.","Inorganic chemistry","2006","45","9","3484","3486","10.1021/ic060009n","","","0.71073","MoKα","","0.1347","0.0615","","","0.1062","0.1218","","","","","","0.752","","","","has coordinates","244972","2020-10-21","18:00:00",""
"4350221","6.341","0.0005","12.2842","0.0011","20.2427","0.0018","90","","90.296","0.002","90","","1576.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 S2 -","- C15 H13 N5 S2 -","- C60 H52 N20 S8 -","4","2","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.117","0.0802","","","0.1663","0.186","","","","","","1.052","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4350240","8.809","0.0003","9.051","0.0004","20.086","0.0009","90","","99.006","0.0016","90","","1581.72","0.11","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Co F8 N6 O3 -","- C30 H20 B2 Co F8 N6 O3 -","- C60 H40 B4 Co2 F16 N12 O6 -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.082","0.0659","","","0.1843","0.2005","","","","","","0.872","","","","has coordinates","239804","2020-10-21","18:00:00",""
"4350342","10.746","0.005","14.145","0.009","16.575","0.009","90","","101.61","0.02","90","","2468","2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl2 Fe N8 O8 -","- C18 H30 Cl2 Fe N8 O8 -","- C72 H120 Cl8 Fe4 N32 O32 -","4","2","","Bréfuel, Nicolas; Imatomi, Shinya; Torigoe, Haruna; Hagiwara, Hiroaki; Shova, Sergiu; Meunier, Jean-François; Bonhommeau, Sébastien; Tuchagues, Jean-Pierre; Matsumoto, Naohide","Structural-electronic correlation in the first-order phase transition of [FeH2L2-Me](ClO4)2 (H2L2-Me = bis[((2-methylimidazol-4-yl)methylidene)-3- aminopropyl]ethylenediamine).","Inorganic chemistry","2006","45","20","8126","8135","10.1021/ic060674w","","","0.71073","MoKα","","0.1224","0.087","","","0.1975","0.2123","","","","","","1.078","","","","has coordinates","239847","2020-10-21","18:00:00",""
"4350369","9.412","0.0006","11.8746","0.0008","16.736","0.001","90","","105.605","0.001","90","","1801.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H60 B Mn P3 -","- C34 H60 B Mn P3 -","- C68 H120 B2 Mn2 P6 -","2","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0394","0.0328","","","0.057","0.0578","","","","","","1.526","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350418","9.1045","0.0008","20.766","0.002","12.3642","0.0011","90","","105.119","0.01","90","","2256.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","CpNi(dddt)","","","- C9 H9 Ni S4 -","- C9 H9 Ni S4 -","- C72 H72 Ni8 S32 -","8","4","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.0548","0.0374","","","0.0855","0.0905","","","","","","0.923","","","","has coordinates","239884","2020-10-21","18:00:00",""
"4350421","9.2009","0.0008","20.963","0.002","12.663","0.0011","90","","105.827","0.01","90","","2349.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","CpNi(ddds)","","","- C9 H9 Ni S2 Se2 -","- C9 H9 Ni S2 Se2 -","- C72 H72 Ni8 S16 Se16 -","8","4","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.0681","0.0365","","","0.0796","0.0935","","","","","","0.945","","","","has coordinates","239887","2020-10-21","18:00:00",""
"4350434","9.1608","0.0002","19.3673","0.0004","24.6754","0.0005","90","","98.143","0.001","90","","4333.77","0.16","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H70 Cd2 Cl4 N8 O20 -","- C77 H60 Cd2 Cl4 N8 O20 -","- C154 H120 Cd4 Cl8 N16 O40 -","2","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.0928","","","0.2133","0.252","","","","","","1.066","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350485","10.1637","0.0009","22.087","0.002","10.9083","0.001","90","","110.864","0.001","90","","2288.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H42 Br Cl6 N P2 Pd -","- C48 H42 Br Cl6 N P2 Pd -","- C96 H84 Br2 Cl12 N2 P4 Pd2 -","2","1","","Schuster, Oliver; Raubenheimer, Helgard G.","Synthesis of the first rNHC (remote N-heterocyclic carbene) complexes with no heteroatom in the carbene carbon-containing ring.","Inorganic chemistry","2006","45","20","7997","7999","10.1021/ic060963k","","","0.71073","MoKα","","0.0384","0.0372","","","0.094","0.0947","","","","","","1.065","","","","has coordinates","239904","2020-10-21","18:00:00",""
"4350541","14.728","0.015","13.149","0.011","19.335","0.015","90","","109.61","0.03","90","","3527","5","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","(PPh4)2[MoO(Se-2-CH3CONHC6H4)4]","","- C80 H72 Mo N4 O5 P2 Se4 -","- C80 H72 Mo N4 O5 P2 Se4 -","- C160 H144 Mo2 N8 O10 P4 Se8 -","2","1","","Okamura, Taka-Aki; Taniuchi, Kaku; Lee, Keonil; Yamamoto, Hitoshi; Ueyama, Norikazu; Nakamura, Akira","Crystal structures and 77Se NMR spectra of molybdenum(IV) areneselenolates having intramolecular NH...Se hydrogen bonds.","Inorganic chemistry","2006","45","23","9374","9380","10.1021/ic061140y","","","0.71075","MoKα","","0.1019","0.0475","","","0.0591","0.0668","","","","","","0.644","","","","has coordinates","239933","2020-10-21","18:00:00",""
"4350543","10.6731","0.0019","10.5596","0.0016","11.425","0.002","90","","100.666","0.006","90","","1265.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 Fe N O10 -","- C25 H29 Fe N O10 -","- C50 H58 Fe2 N2 O20 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris","Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.","Inorganic chemistry","2006","45","20","8414","8422","10.1021/ic061166p","","","0.71073","MoKα","","0.0423","0.0313","","","0.0674","0.0699","","","","","","1.003","","","","has coordinates","239934","2020-10-21","18:00:00",""
"4350544","6.103","0.001","8.473","0.002","19.341","0.005","90","","97.24","0.02","90","","992.2","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Fe N O7 -","- C19 H27 Fe N O7 -","- C38 H54 Fe2 N2 O14 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris","Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.","Inorganic chemistry","2006","45","20","8414","8422","10.1021/ic061166p","","","0.71073","MoKα","","0.0856","0.0554","","","0.1053","0.1154","","","","","","0.984","","","","has coordinates,has disorder","239935","2020-10-21","18:00:00",""
"4350545","10.7128","0.0008","7.856","0.0005","15.7821","0.0011","90","","97.001","0.003","90","","1318.31","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Fe O10 S -","- C25 H28 Fe O10 S -","- C50 H56 Fe2 O20 S2 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris","Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.","Inorganic chemistry","2006","45","20","8414","8422","10.1021/ic061166p","","","0.71073","MoKα","","0.0709","0.0413","","","0.0729","0.0809","","","","","","1.012","","","","has coordinates","239936","2020-10-21","18:00:00",""
"4350568","9.0439","0.001","20.111","0.002","15.6438","0.0017","90","","91.563","0.002","90","","2844.3","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H36 Cl6 Cu N8 O18 -","- C54 H36 Cl6 Cu N8 O18 -","- C108 H72 Cl12 Cu2 N16 O36 -","2","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1385","0.0807","","","0.1518","0.1737","","","","","","0.997","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350579","8.797","0.0002","10.7269","0.0002","15.0291","0.0003","90","","106.636","0.002","90","","1358.85","0.05","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[NEt4][Fe(bpb)Br2]","","","- C26 H32 Br2 Fe N5 O2 -","- C26 H32 Br2 Fe N5 O2 -","- C52 H64 Br4 Fe2 N10 O4 -","2","1","","Afshar, Raman K.; Eroy-Reveles, Aura A; Olmstead, Marilyn M.; Mascharak, Pradip K.","Stoichiometric and catalytic secondary O-atom transfer by Fe(III)-NO2 complexes derived from a planar tetradentate non-heme ligand: reminiscence of heme chemistry.","Inorganic chemistry","2006","45","25","10347","10354","10.1021/ic0614115","","","0.71073","MoKα","","0.0139","0.0136","","","0.0359","0.036","","","","","","0.849","","","","has coordinates","239949","2020-10-21","18:00:00",""
"4350589","16.4154","0.0017","5.2133","0.0006","16.421","0.0017","90","","114.165","0.002","90","","1282.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H5 O3 S4 Zn -","- C5.33333 O6.66667 S1.33333 Zn1.33333 -","- C32 O40 S8 Zn8 -","6","3","","Wu, Ming-Cheng; Lee, Chi-Shen","Synthesis and thermal decomposition of Zn(tda)H2O [tda = S(CH(2)COO)2(2-)].","Inorganic chemistry","2006","45","24","9634","9636","10.1021/ic061531c","","","0.71073","MoKα","","0.0474","0.0322","","","0.0862","0.1039","","","","","","0.911","","","","has coordinates","239953","2020-10-21","18:00:00",""
"4350607","13.7011","0.0018","9.3468","0.001","15.544","0.002","90","","112.281","0.004","90","","1842","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H41 O8 P S -","- C31 H41 O8 P S -","- C62 H82 O16 P2 S2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.1728","0.1443","","","0.2897","0.3077","","","","","","1.165","","","","has coordinates","239960","2020-10-21","18:00:00",""
"4350609","10.8623","0.0002","25.046","0.0004","13.9799","0.0003","90","","109.215","0.0007","90","","3591.46","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 F3 O9 P -","- C34 H45 F3 O9 P -","- C136 H180 F12 O36 P4 -","4","2","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0649","0.0527","","","0.1282","0.1375","","","","","","1.03","","","","has coordinates","239962","2020-10-21","18:00:00",""
"4350610","9.5531","0.0001","26.3363","0.0004","14.8612","0.0002","90","","105.001","0.0007","90","","3611.56","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H44 F3 O11 P S -","- C33 H43 F3 O11 P S -","- C132 H172 F12 O44 P4 S4 -","4","2","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0529","0.0472","","","0.1255","0.1313","","","","","","1.035","","","","has coordinates","239963","2020-10-21","18:00:00",""
"4350611","11.0705","0.0001","12.6674","0.0001","18.8035","0.0003","90","","101.415","0.0006","90","","2584.74","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H61 O10 P S -","- C57 H61 O10 P S -","- C114 H122 O20 P2 S2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0429","0.0406","","","0.1063","0.1085","","","","","","1.021","","","","has coordinates","239964","2020-10-21","18:00:00",""
"4350612","17.1545","0.0002","11.1392","0.0001","19.8162","0.0002","90","","91.4254","0.0004","90","","3785.45","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 O8 P S -","- C37 H44 O8 P S -","- C148 H176 O32 P4 S4 -","4","2","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0691","0.0525","","","0.1319","0.1414","","","","","","1.021","","","","has coordinates","239965","2020-10-21","18:00:00",""
"4350630","9.1049","0.0001","37.0451","0.0004","15.3593","0.0002","90","","92.2726","0.0004","90","","5176.49","0.1","200","","200","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Ir3 O11 W2 -","- C31 H31 Ir3 O11 W2 -","- C186 H186 Ir18 O66 W12 -","6","3","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.054","","","","0.059","","","","","","1.12","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350632","9.1429","0.0001","37.2254","0.0003","15.4543","0.0001","90","","92.1771","0.0002","90","","5256.05","0.08","293","","293","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Ir3 Mo2 O11 -","- C31 H31 Ir3 Mo2 O11 -","- C186 H186 Ir18 Mo12 O66 -","6","3","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.0235","","","","0.0206","","","","","","1.073","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350688","9.781","0.002","21.416","0.003","11.228","0.002","90","","115.298","0.003","90","","2126.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(OC-6-34)-Chlorido(cyclobutane-1,1'-dicarboxylate) (cyclohexane-1R,2R,diamine)(ethane-1,2-diol)platinum(IV)","","- C14 H31 Cl N2 O9 Pt -","- C14 H24 Cl N2 O9 Pt -","- C56 H96 Cl4 N8 O36 Pt4 -","4","2","","Ravera, Mauro; Gabano, Elisabetta; Pelosi, Giorgio; Fregonese, Federico; Tinello, Stefano; Osella, Domenico","A new entry to asymmetric platinum(IV) complexes via oxidative chlorination.","Inorganic chemistry","2014","53","17","9326","9335","10.1021/ic501446b","","","0.71073","MoKα","","0.0736","0.0507","","","0.1086","0.1182","","","","","","0.98","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4350701","11.3805","0.0004","12.0557","0.0004","12.0236","0.0004","90","","96.65","0.003","90","","1638.54","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H56 Co N4 Si4 -","- C23 H56 Co N4 Si4 -","- C46 H112 Co2 N8 Si8 -","2","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0634","0.0529","","","0.0827","0.0912","","","","","","1.028","","","","has coordinates","239990","2020-10-21","18:00:00",""
"4500028","7.3464","0.0003","15.6714","0.0005","16.961","0.0006","90","","91.854","0.002","90","","1951.67","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Ag B F4 N14 -","- C14 H14 Ag B F4 N14 -","- C56 H56 Ag4 B4 F16 N56 -","4","2","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0253","0.025","","","0.0635","0.0641","","","","","","1.028","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500041","11.8963","0.0002","13.2249","0.0003","14.5323","0.0002","90","","102.435","0.001","90","","2232.69","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H57 N15 O7 S4 -","- C29 H57 N15 O7 S4 -","- C58 H114 N30 O14 S8 -","2","1","","Fatima Helzy; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines","Cryst. Growth & Design","2008","8","","1547","1553","10.1021/cg700798z","","","1.54178","CuKα","","0.0892","0.0687","","","0.1803","0.2134","","","","","","1.089","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500052","15.2276","0.0003","15.6443","0.0003","19.1539","0.0003","90","","108.837","0.001","90","","4318.55","0.14","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C110 H89 B2 N3 O11 -","- C110 H89 B2 N3 O11 -","- C220 H178 B4 N6 O22 -","2","1","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.0445","0.0437","","","0.1195","0.1213","","","","","","1.038","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500099","9.733","0.003","5.7183","0.0017","10.359","0.003","90","","93.193","0.004","90","","575.6","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O4 S2 Zn -","- C8 H12 N2 O4 S2 Zn -","- C16 H24 N4 O8 S4 Zn2 -","2","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.0506","0.039","","","0.0887","0.0979","","","","","","0.867","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500101","5.897","0.006","10.146","0.011","10.077","0.01","90","","90.165","0.006","90","","602.9","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 Ni O4 S2 -","- C8 H12 N2 Ni O4 S2 -","- C16 H24 N4 Ni2 O8 S4 -","2","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.1743","0.0646","","","0.106","0.1346","","","","","","0.997","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500162","5.0643","0.0002","8.3299","0.0003","7.4469","0.0003","90","","107.585","0.002","90","","299.47","0.02","120","","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Lithium hydrogen L-tartrate","","","- C4 H5 Li O6 -","- C4 H5 Li O6 -","- C8 H10 Li2 O12 -","2","1","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.0356","0.0326","","","0.0683","0.0704","","","","","","1.109","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500255","10.439","0.002","16.863","0.003","11.302","0.002","90","","107.84","0.03","90","","1893.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 Cu N4 O12 -","- C34 H48 Cu N4 O12 -","- C68 H96 Cu2 N8 O24 -","2","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Dai, Jing-Cao","Syntheses, Structural Characterization, and Properties of {[Cu(bpp)2(H2O)2](tp)·7H2O} and {[Cu(bpp)2(H2O)](ip)·7H2O} Complexes. New Examples of the Organic Anionic Template Effect on Induced Assembly of Water Clusters (bpp = 1,3-Bis(4-pyridyl)propane, tp = Terephthalate, ip = Isophthalate)†","Crystal Growth & Design","2011","11","2","507","","10.1021/cg1013208","","","0.71073","MoKα","","0.0957","0.0373","","","0.0708","0.1092","","","","","","1.126","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500374","6.8745","0.0015","10.444","0.002","25.018","0.005","90","","91.677","0.004","90","","1795.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H24 Ag3 N9 O11 -","- C34 H24 Ag3 N9 O11 -","- C68 H48 Ag6 N18 O22 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0658","0.0434","","","0.0854","0.0964","","","","","","1.085","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500397","10.224","0.002","13.969","0.002","12.724","0.002","90","","98.996","0.002","90","","1794.9","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1RS,3SR,4RS)-1-Phenyl-cis-3,4-butano-1-hydro-2,5-benzoxazocine HCl, (1RS,3SR,4RS)-cis-3,4-butano-N-desmethylnefopam HCl","6-Phenyl-11,12-dihydro-6H-5oxa-12-azonia-dibenzo[a,e]cyclooctene hydrogenchloride","","- C20 H24 Cl N O -","- C20 H24 Cl N O -","- C80 H96 Cl4 N4 O4 -","4","2","","Steinberg, Avital; Ergaz, Itzhak; Toscano, Rubén Alfredo; Glaser, Robert","Crystallization of a Racemate Affords aP21Chiral Crystal Structure: Asymmetric Unit of Two Opposite Handed Molecules Simulates AchiralP21/nPacking via Pseudosymmetry","Crystal Growth & Design","2011","11","4","1262","","10.1021/cg1014994","","","0.71073","MoKα","","0.0279","0.0241","","","0.0596","0.0614","","","","","","1.015","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500410","9.423","0.002","14.624","0.003","11.374","0.003","90","","95.013","0.004","90","","1561.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H52 Cl N6 Ni O6.5 -","- C24 H51 Cl N6 Ni O6.5 -","- C48 H102 Cl2 N12 Ni2 O13 -","2","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0551","0.0416","","","0.0934","0.1003","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500411","9.4346","0.0013","14.612","0.002","11.3735","0.0016","90","","95.137","0.002","90","","1561.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N6 Ni O7 -","- C24 H51 Cl N6 Ni O7 -","- C48 H102 Cl2 N12 Ni2 O14 -","2","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0428","0.0369","","","0.0889","0.0927","","","","","","1.039","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500436","11.8003","0.0004","7.1674","0.0002","15.7364","0.0005","90","","99.998","0.002","90","","1310.73","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 O5 Sr -","- C14 H12 O5 Sr -","- C56 H48 O20 Sr4 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0856","0.0582","","","0.1248","0.1375","","","","","","1.007","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500448","15.093","0.002","9.949","0.0005","15.713","0.002","90","","94.767","0.002","90","","2351.3","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Ca N2 O17 -","- C14 H26 Ca N2 O17 -","- C56 H104 Ca4 N8 O68 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0774","0.046","","","0.0825","0.0956","","","","","","1.064","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500458","13.02","0.0004","4.322","0.0001","15.3326","0.0005","90","","104.74","0.001","90","","834.41","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Ba N2 O9 -","- C14 H18 Ba N2 O9 -","- C28 H36 Ba2 N4 O18 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71069","MoKα","","0.0313","0.0243","","","0.0416","0.0444","","","","","","1.071","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500471","19.379","0.008","14.639","0.006","19.484","0.007","90","","116.046","0.006","90","","4966","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H39 N9 O27 Zn6 -","- C48 H30 N9 O27 Zn6 -","- C96 H60 N18 O54 Zn12 -","2","1","","Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption","Crystal Growth & Design","2011","11","7","2811","","10.1021/cg101569a","","","0.71073","MoKα","","0.1056","0.0797","","","0.2406","0.2613","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500541","6.9718","0.0005","18.1744","0.0013","8.9804","0.0007","90","","96.357","0.001","90","","1130.89","0.14","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O11 Pb2 -","- C20 H22 O11 Pb2 -","- C40 H44 O22 Pb4 -","2","1","","Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Zhang, Ya-Nan; Shi, Qi-Zhen; Batten, Stuart R.","Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural Diversities Built on a Kinked Flexible Dicarboxylate Building Block","Crystal Growth & Design","2011","11","4","936","","10.1021/cg101663a","","","0.71073","MoKα","","0.0374","0.0349","","","0.0767","0.0776","","","","","","1.006","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500551","8.0552","0.0008","11.557","0.0011","10.2634","0.001","90","","107.105","0.002","90","","913.2","0.15","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I2 N4 Se2 -","- C10 H16 I2 N4 Se2 -","- C20 H32 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0375","0.0305","","","0.0523","0.0548","","","","","","0.957","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500610","6.1475","0.0005","13.1349","0.001","10.5981","0.0009","90","","99.16","0.008","90","","844.85","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C36 H44 Cl2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0511","0.0459","","","0.1092","0.1115","","","","","","1.131","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500612","5.8119","0.0002","13.1776","0.0003","12.041","0.0004","90","","103.222","0.003","90","","897.74","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0296","0.0259","","","0.0575","0.0584","","","","","","0.978","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500614","5.8318","0.0005","13.0114","0.0007","10.8982","0.0008","90","","97.971","0.004","90","","818.96","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F N O3 -","- C18 H22 F N O3 -","- C36 H44 F2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.1174","0.058","","","0.1126","0.1347","","","","","","1.022","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500616","5.8311","0.0002","12.9695","0.0004","23.552","0.0009","90","","94.839","0.003","90","","1774.81","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0564","0.0373","","","0.0591","0.0625","","","","","","0.908","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500618","5.9395","0.0008","15.0195","0.0013","9.6906","0.0013","90","","97.506","0.012","90","","857.07","0.18","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0625","0.0319","","","0.0474","0.0505","","","","","","0.779","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500620","7.423","0.0002","11.2355","0.0003","10.5683","0.0002","90","","93.59","0.002","90","","879.68","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C34 H46 N2 O8 S2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0523","0.0382","","","0.0634","0.0659","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500622","5.9219","0.0012","32.974","0.005","7.1591","0.0012","90","","99.465","0.002","90","","1378.9","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N2 O8 S2 -","- C24 H40 N2 O8 S2 -","- C48 H80 N4 O16 S4 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0366","0.0353","","","0.08","0.0804","","","","","","1.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500625","5.7618","0.0003","17.4809","0.0011","13.7006","0.0008","90","","95.417","0.005","90","","1373.78","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0679","0.0387","","","0.0687","0.0727","","","","","","0.804","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500640","7.6416","0.0002","25.5067","0.0005","7.8781","0.0002","90","","104.173","0.003","90","","1488.8","0.06","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 I2 N O -","- C11 H18 I2 N O -","- C44 H72 I8 N4 O4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0573","0.0462","","","0.0648","0.0668","","","","","","1.136","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4500642","6.1399","0.0001","13.3725","0.0004","10.3002","0.0003","90","","98.217","0.002","90","","837.02","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C34 H46 N2 O10 S2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.034","0.0316","","","0.0766","0.0783","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500644","12.8247","0.0005","7.7239","0.0003","18.065","0.0008","90","","104.569","0.004","90","","1731.92","0.13","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.075","0.0439","","","0.0725","0.0775","","","","","","0.878","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500645","5.9915","0.0001","14.2038","0.0003","9.9003","0.0002","90","","96.679","0.001","90","","836.82","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C36 H44 Cl2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0441","0.0408","","","0.1012","0.1033","","","","","","1.188","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500646","6.0437","0.0002","14.1258","0.0003","9.9363","0.0003","90","","98.017","0.003","90","","839.99","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.043","0.034","","","0.0663","0.0682","","","","","","0.949","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500683","11.9708","0.0013","34.928","0.003","12.444","0.002","90","","110.505","0.001","90","","4873.4","1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H146 N2 O16 -","- C108 H146 N2 O16 -","- C216 H292 N4 O32 -","2","1","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500742","7.166","0.002","16.621","0.005","10.8","0.004","90","","107.616","0.004","90","","1226","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O8 -","- C24 H22 N4 O8 -","- C48 H44 N8 O16 -","2","1","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0848","0.0553","","","0.1353","0.1524","","","","","","0.993","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500804","6.1337","0.0012","14.362","0.003","7.1111","0.0014","90","","91.33","0.03","90","","626.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C12 H22 Cl8 Fe2 N4 -","2","1","","Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena","In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]","Crystal Growth & Design","2011","11","6","2564","","10.1021/cg200326n","","","0.71073","MoKα","","0.1857","0.1425","","","0.3397","0.3707","","","","","","2.116","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500824","8.5398","0.0004","18.2753","0.0007","13.3498","0.0005","90","","105.792","0.002","90","","2004.83","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N5 O4 S -","- C19 H21 N5 O4 S -","- C76 H84 N20 O16 S4 -","4","2","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0429","0.0361","","","0.0957","0.1014","","","","","","1.04","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500873","12.203","0.005","6.419","0.003","17.12","0.007","90","","97.065","0.011","90","","1330.8","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H43 N3 O5 -","- C23 H43 N3 O5 -","- C46 H86 N6 O10 -","2","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.3277","0.1185","","","0.2664","0.3283","","","","","","0.861","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4500965","9.3881","0.0019","26.515","0.006","11.103","0.003","90","","97.768","0.01","90","","2738.5","1.1","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 Cl2 O4 -","- C34 H24 Cl2 O4 -","- C136 H96 Cl8 O16 -","4","2","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0604","","","","0.0985","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500979","5.712","0.001","8.131","0.002","14.943","0.003","90","","93.42","0.03","90","","692.8","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","phenanthridinium maleate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0452","0.0342","","0.0891","0.0851","0.0829","","","","","","1.0103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501022","7.0532","0.0003","14.0806","0.0006","12.0234","0.0006","90","","90.999","0.001","90","","1193.9","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","2","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0304","0.0293","","","0.0756","0.077","","","","","","1.054","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501123","6.516","0.004","12.037","0.003","6.792","0.003","90","","113.06","0.05","90","","490.2","0.4","296","2","296","2","780000","","","","","","","5","P 1 21 1","P 2yb","4","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C12 H32 Br4 N4 O2 -","2","1","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.049","0.0322","","","0.0577","0.0617","","","","","","1.009","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501232","7.2948","0.0003","26.2511","0.0009","13.5197","0.0006","90","","91.019","0.0019","90","","2588.57","0.18","213","","213","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H88 O8 -","- C58 H88 O8 -","- C116 H176 O16 -","2","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0722","","","","0.202","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501234","7.3377","0.0003","26.4525","0.0009","13.2866","0.0005","90","","91.334","0.002","90","","2578.24","0.17","213.1","","213.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H90 N2 O6 -","- C58 H90 N2 O6 -","- C116 H180 N4 O12 -","2","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.1176","","","","0.3462","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501255","8.2336","0.0011","19.402","0.002","9.697","0.0012","90","","101.727","0.015","90","","1516.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 F8 N2 O11 Zn2 -","- C24 H20 F8 N2 O11 Zn2 -","- C48 H40 F16 N4 O22 Zn4 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0686","0.0466","","","0.1017","0.1108","","","","","","0.933","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501256","8.4375","0.001","19.512","0.002","9.7423","0.001","90","","101.824","0.013","90","","1569.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 F8 Mn2 N2 O11 -","- C24 H20 F8 Mn2 N2 O11 -","- C48 H40 F16 Mn4 N4 O22 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0955","0.0558","","","0.1172","0.1322","","","","","","0.904","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501371","7.8917","0.0005","7.2632","0.0005","12.9379","0.0008","90","","102.815","0.007","90","","723.12","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","diaceamide CaCl2 (H2O)5","","- C4 H17 Ca Cl2 N O7 -","- C4 H7 Ca Cl2 N O7 -","- C8 H14 Ca2 Cl4 N2 O14 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0668","0.0551","","","","0.1497","","","","","","1.059","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501430","11.898","0.002","15.873","0.003","14.603","0.003","90","","90.604","0.002","90","","2757.7","0.9","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H52 K2 N24 O28 -","- C42 H40 K2 N24 O26 -","- C84 H80 K4 N48 O52 -","2","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0435","0.0414","","","0.1132","0.1152","","","","","","1.033","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501449","7.8416","0.0014","13.964","0.002","9.5724","0.0016","90","","106.198","0.003","90","","1006.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N4 O5 -","- C20 H19 Br N4 O5 -","- C40 H38 Br2 N8 O10 -","2","1","","Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions","ACS Catalysis","2011","1","3","221","","10.1021/cs100161k","","","0.71073","MoKα","","0.0406","0.034","","","0.0769","0.079","","","","","","0.947","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501474","13.378","0.003","6.5197","0.0012","22.033","0.004","90","","93.028","0.003","90","","1919","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09047b","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","2","","Leighty, Matthew W.; Georg, Gunda I.","Total Syntheses and Cytotoxicity of (R)- and (S)-Boehmeriasin A.","ACS medicinal chemistry letters","2011","2","4","313","315","10.1021/ml1003074","","","0.71073","MoKα","","0.0617","0.0428","","","0.1058","0.1185","","","","","","1.03","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501484","6.6272","0.0006","17.3245","0.0017","9.9414","0.0009","90","","97.338","0.001","90","","1132.05","0.18","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N4 O4 Zn -","- C24 H28 N4 O4 Zn -","- C48 H56 N8 O8 Zn2 -","2","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.0633","0.0544","","","0.1157","0.1176","","","","","","1.068","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501544","8.9518","0.0012","15.455","0.002","8.9934","0.0012","90","","92.91","0.003","90","","1242.6","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 Ca Co2 N4 O20 -","- C12 H24 Ca Co2 N4 O20 -","- C24 H48 Ca2 Co4 N8 O40 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0587","0.0538","","","0.1387","0.1426","","","","","","1.022","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501546","8.8416","0.0018","30.394","0.006","8.8226","0.0017","90","","92.158","0.008","90","","2369.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Co4 Mn2 N8 O39 -","- C24 H32 Co4 Mn2 N8 O39 -","- C48 H64 Co8 Mn4 N16 O78 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.1047","0.0965","","","0.2634","0.2697","","","","","","1.035","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501547","9.0785","0.0017","15.666","0.003","9.1321","0.0017","90","","92.57","","90","","1297.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Co2 N4 O20 Sr -","- C12 H16 Co2 N4 O20 Sr -","- C24 H32 Co4 N8 O40 Sr2 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0472","0.0453","","","0.1196","0.1207","","","","","","1.112","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501548","9.0325","0.0014","15.476","0.002","9.1107","0.0015","90","","92.883","0.003","90","","1271.9","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H17 Co2 N4 O19.26 Sr -","- C12 H17 Co2 N4 O19.26 Sr -","- C24 H34 Co4 N8 O38.52 Sr2 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0673","0.0549","","","0.1408","0.1498","","","","","","1.017","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501567","5.7692","0.001","7.4252","0.0012","24.716","0.004","90","","91.76","0.002","90","","1058.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrrole-phenyl-thiophene","1,1'-(bithiophen-5,5''-diyldibenzene-4,1-diyl)bis(1H-pyrrole)","","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","- C56 H40 N4 S4 -","2","1","","Tavazzi, Silvia; Miozzo, Luciano; Silvestri, Leonardo; Mora, Stefano; Spearman, Peter; Moret, Massimo; Rizzato, Silvia; Braga, Daniele; Diagne Diaw, Abdou Karim; Gningue-Sall, Diariatou; Aaron, Jean-Jacques; Yassar, Abderrahim","Crystal Structure and Optical Properties of N-Pyrrole End-Capped Thiophene/Phenyl Co-Oligomer: Strong H-type Excitonic Coupling and Emission Self-Waveguiding","Crystal Growth & Design","2010","10","5","2342","","10.1021/cg100113h","","","0.71073","MoKα","","0.062","0.0432","","","0.0938","0.1026","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501654","7.529","0.002","21.071","0.003","14.626","0.002","90","","94.4","0.017","90","","2313.5","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H42 Cu3 N20 O22 S2 -","- C30 H18 Cu3 N20 O22 S2 -","- C60 H36 Cu6 N40 O44 S4 -","2","1","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0807","0.0501","","","0.124","0.1488","","","","","","1.101","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501662","9.8519","0.0005","13.1508","0.0005","10.8086","0.0004","90","","95.697","0.002","90","","1393.45","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O6 -","- C28 H36 N2 O6 -","- C56 H72 N4 O12 -","2","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0551","0.0404","","","0.107","0.1235","","","","","","0.822","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501663","6.3094","0.0002","22.3018","0.0008","9.1251","0.0003","90","","102.049","0.001","90","","1255.71","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0587","0.0415","","","0.0831","0.0908","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501700","6.259","0.002","22.164","0.004","7.362","0.003","90","","96.349","0.004","90","","1015","0.6","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","alpha-TPB","1,1,4,4-tetraphenyl-1,3-butadiene","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","1","","Girlando, Alberto; Ianelli, Sandra; Bilotti, Ivano; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Campione, Marcello; Mora, Stefano; Silvestri, Leonardo; Spearman, Peter; Tavazzi, Silvia","Spectroscopic and Structural Characterization of Two Polymorphs of 1,1,4,4-Tetraphenyl-1,3-butadiene","Crystal Growth & Design","2010","10","6","2752","","10.1021/cg100253k","","","1.54178","CuKα","","0.0822","0.0794","","","0.1891","0.1934","","","","","","1.463","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501790","5.108","0.0012","13.619","0.003","12.011","0.003","90","","97.052","0.004","90","","829.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-(N9-adeninyl)propanoic acid.2TFA","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium trifluoro acetate.TFA","","- C12 H11 F6 N5 O6 -","- C12 H11 F6 N5 O6 -","- C24 H22 F12 N10 O12 -","2","1","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71069","MoKα","","0.0655","0.045","","","0.103","0.1441","","","","","","1.189","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501793","5.223","0.002","8.486","0.003","12.871","0.004","90","","95.22","0.006","90","","568.1","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O8 -","- C9 H15 N O8 -","- C18 H30 N2 O16 -","2","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0446","0.0388","","","0.0812","0.0845","","","","","","1.037","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501794","7.2174","0.0003","9.1125","0.0004","10.4125","0.0004","90","","96.479","0.003","90","","680.44","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O8 -","- C11 H19 N O8 -","- C22 H38 N2 O16 -","2","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0312","0.0282","","","0.0701","0.0712","","","","","","1.132","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501811","9.9108","0.0004","11.0466","0.0005","9.9752","0.0004","90","","117.339","0.002","90","","970.11","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23 Eu O19 -","- C12 H23 Eu O19 -","- C24 H46 Eu2 O38 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Europium−Organic Assemblies with theall-cisandall-transIsomers of 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid","Crystal Growth & Design","2010","10","8","3626","","10.1021/cg100500p","","","0.71073","MoKα","","0.0231","0.0228","","","0.0584","0.0587","","","","","","1.05","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501962","15.016","0.004","21.867","0.006","18.24","0.005","90","","90.591","0.005","90","","5989","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H55 Er5 F54 N2 O30 -","- C73 H37 Er5 F54 N2 O30 -","- C146 H74 Er10 F108 N4 O60 -","2","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.0644","0.0558","","","0.1477","0.1607","","","","","","1.081","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501971","9.4778","0.0003","17.692","0.0008","9.9538","0.0004","90","","104.419","0.003","90","","1616.49","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 Li4 O13 -","- C12 H18 Li4 O13 -","- C48 H72 Li16 O52 -","4","2","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0387","0.0367","","","0.0918","0.0933","","","","","","1.023","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4502137","9.443","0.0004","10.8755","0.0005","11.0869","0.0004","90","","108.809","0.002","90","","1077.79","0.08","153.1","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 B N2 O2 -","- C22 H31 B N2 O2 -","- C44 H62 B2 N4 O4 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0537","","","","0.1332","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502139","9.58186","0.00017","10.5699","0.00019","10.40266","0.00019","90","","114.615","0.0009","90","","957.83","0.03","153.1","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O2 -","- C20 H29 B N2 O2 -","- C40 H58 B2 N4 O4 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0415","","","","0.102","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502141","9.6059","0.0002","11.0417","0.0003","18.1746","0.0004","90","","91.8651","0.0015","90","","1926.68","0.08","153.1","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 B N2 O2 -","- C20 H27 B N2 O2 -","- C80 H108 B4 N8 O8 -","4","2","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0489","","","","0.1467","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502168","6.90525","0.00018","14.1124","0.0003","15.7976","0.0011","90","","93.559","0.007","90","","1536.5","0.12","95","2","95","2","","","","","","","","4","P 1 21 1","P 2yb","4","TNT : 4-aminobenzoic acid","2,4,6-trinitrotoluene : 4-aminobenzoic acid","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C56 H48 N16 O32 -","4","2","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0904","0.0577","","","0.1277","0.1806","","","","","","1.113","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502224","12.726","0.005","19.182","0.005","15.583","0.005","90","","91.643","0.002","90","","3802","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H50.5 N1.5 O7 -","- C41 H48.5 N1.5 O7 -","- C164 H194 N6 O28 -","4","2","","Tedesco, Consiglia; Erra, Loredana; Immediata, Ivano; Gaeta, Carmine; Brunelli, Michela; Merlini, Marco; Meneghini, Carlo; Pattison, Philip; Neri, Placido","Solvent Induced Pseudopolymorphism in a Calixarene-Based Porous Host Framework","Crystal Growth & Design","2010","10","4","1527","","10.1021/cg900719f","","","0.8","","","0.0644","0.062","","","0.1638","0.1678","","","","","","0.857","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502269","10.3361","0.0012","11.5818","0.0014","10.4904","0.0013","90","","92.6","0.001","90","","1254.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O6 -","- C25 H29 N3 O6 -","- C50 H58 N6 O12 -","2","1","","Angelici, Gaetano; Castellucci, Nicola; Contaldi, Simone; Falini, Giuseppe; Hofmann, Hans-Jörg; Monari, Magda; Tomasini, Claudia","A Network of Small Molecules Connected by Cross-Linked NH Bonds","Crystal Growth & Design","2010","10","1","244","","10.1021/cg900874f","","","0.71073","MoKα","","0.038","0.0362","","","0.1","0.1027","","","","","","1.022","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502336","10.728","0.002","10.2003","0.0019","12.721","0.002","90","","107.634","0.013","90","","1326.6","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","7","Lamotrigine malate","","- C22 H20 Cl4 N10 O5 -","- C22 H20 Cl4 N10 O5 -","- C44 H40 Cl8 N20 O10 -","2","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","1.54178","CuKα","","0.0505","0.0461","","","0.1271","0.1299","","","","","","1.097","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502360","7.2962","0.0015","12.692","0.003","7.9192","0.0016","90","","110.42","0.03","90","","687.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H26 N4 O6 -","- C5 H26 N4 O6 -","- C10 H52 N8 O12 -","2","1","","Zhang, Tong; Chen, Li-Zhuang; Gou, Min; Li, Yong-Hua; Fu, Da-Wei; Xiong, Ren-Gen","Ferroelectric Homochiral Organic Molecular Crystals","Crystal Growth & Design","2010","10","3","1025","","10.1021/cg901032c","","","0.71073","MoKα","","0.0627","0.0489","","","0.1236","0.1316","","","","","","1.072","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502361","8.476","0.002","7.515","0.002","11.474","0.003","90","","101.9","0.03","90","","715.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H14 Cl4 I2 N2 -","- C5 H14 Cl4 I2 N2 -","- C10 H28 Cl8 I4 N4 -","2","1","","Zhang, Tong; Chen, Li-Zhuang; Gou, Min; Li, Yong-Hua; Fu, Da-Wei; Xiong, Ren-Gen","Ferroelectric Homochiral Organic Molecular Crystals","Crystal Growth & Design","2010","10","3","1025","","10.1021/cg901032c","","","0.71073","MoKα","","0.0236","0.0229","","","0.0482","0.0485","","","","","","1.058","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4502371","10.2795","0.0003","7.6167","0.0002","13.5752","0.0004","90","","98.996","0.001","90","","1049.81","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Zinc-Borate","","","- C10 H29 B5 N4 O11 Zn -","- C10 H27 B5 N4 O11 Zn -","- C20 H54 B10 N8 O22 Zn2 -","2","1","","Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan","[B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures","Crystal Growth & Design","2010","10","1","456","","10.1021/cg901054h","","","0.71073","MoKα","","0.0488","0.0408","","","0.0921","0.0965","","","","","","0.994","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502390","13.209","0.005","21.994","0.008","13.6","0.005","90","","106.645","0.002","90","","3785","2","103.1","","","","","","","","","","","8","P 1 21 1","P 2yb","4","(S)-1-(p-fluorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl F N O2 P S -","- C16 H20 Cl F N O2 P S -","- C128 H160 Cl8 F8 N8 O16 P8 S8 -","8","4","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.049","","","","0.061","","","","","","0.857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502394","14.2219","0.0002","25.6079","0.00029","15.1754","0.0002","90","","117.465","0.0005","90","","4903.86","0.11","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","lamivudine double strand","","","- C75 H114 Cl2 N24 O37 S8 -","- C75 H114 Cl2 N24 O37 S8 -","- C150 H228 Cl4 N48 O74 S16 -","2","1","","Martins, Felipe T.; Doriguetto, Antônio C.; Ellena, Javier","From Rational Design of Drug Crystals to Understanding of Nucleic Acid Structures: Lamivudine Duplex","Crystal Growth & Design","2010","10","2","676","","10.1021/cg901103r","","","0.71073","MoKα","","0.0789","0.0588","","","0.1517","0.172","","","","","","1.101","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502412","4.9904","0.0017","19.473","0.007","9.891","0.003","90","","93.762","0.005","90","","959.1","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 N4 O6 S Zn -","- C18 H14 N4 O6 S Zn -","- C36 H28 N8 O12 S2 Zn2 -","2","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A Borromean Weave Coordination Polymer Sustained by Urea−Sulfate Hydrogen Bonding and Its Selective Anion Separation Properties","Crystal Growth & Design","2010","10","2","483","","10.1021/cg901159r","","","0.71073","MoKα","","0.0367","0.0318","","","0.0628","0.0646","","","","","","1.007","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502415","9.102","0.005","10.402","0.005","9.283","0.005","90","0.005","110.941","0.005","90","0.005","820.9","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Aluminium-Borate","","","- C5 H20 Al B5 N2 O12 -","- C5 H16 Al B5 N2 O12 -","- C10 H32 Al2 B10 N4 O24 -","2","1","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.1227","0.0741","","","0.1462","0.165","","","","","","0.939","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502417","8.921","0.0005","10.0784","0.0004","8.9621","0.0007","90","","109.686","0.007","90","","758.68","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Aluminium-Borate","","","- C5 H19 Al B5 N3 O11 -","- C5 H17 Al B5 N3 O11 -","- C10 H34 Al2 B10 N6 O22 -","2","1","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.0349","0.0332","","","0.0822","0.0828","","","","","","1.052","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502472","5.827","0.0005","15.52","0.0012","13.594","0.0014","90","","97.322","0.002","90","","1219.35","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd N2 O8 -","- C26 H24 Cd N2 O8 -","- C52 H48 Cd2 N4 O16 -","2","1","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0399","0.0335","","","0.0793","0.0828","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502503","11.997","0.003","16.249","0.004","14.099","0.003","90","","91.711","0.003","90","","2747.2","1.1","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H56 K2 N22 O27 -","- C42 H46 K2 N22 O27 -","- C84 H92 K4 N44 O54 -","2","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0544","0.0456","","","0.1148","0.1214","","","","","","1.033","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502623","9.215","0.001","10.1581","0.001","17.6752","0.0018","90","","98.338","0.002","90","","1637","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0672","0.0399","","","0.0779","0.0865","","","","","","1.008","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502624","9.2204","0.0011","10.1463","0.0012","17.6623","0.0019","90","","98.367","0.002","90","","1634.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0831","0.0755","","","0.1964","0.2015","","","","","","1.064","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502625","9.2286","0.0018","10.155","0.002","17.675","0.004","90","","98.49","0.03","90","","1638.3","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.1034","0.0629","","","0.1335","0.1544","","","","","","1.02","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502626","9.2198","0.0005","10.1527","0.0005","17.6639","0.0009","90","","98.411","0.001","90","","1635.66","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0577","0.055","","","0.1425","0.1456","","","","","","1.044","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502687","11.767","0.003","8.4377","0.0013","12.631","0.003","90","","93.202","0.019","90","","1252.1","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","[S-mbnlH]2[Cu(II)(mal)2(H2O)2]","[S-mbnlH]2[Cu(II)(mal)2(H2O)2]","","- C22 H32 Cu N2 O10 -","- C22 H32 Cu N2 O10 -","- C44 H64 Cu2 N4 O20 -","2","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.1035","0.0663","","","0.1614","0.1726","","","","","","0.861","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502692","11.426","0.001","8.3564","0.0005","12.868","0.0012","90","","95.21","0.011","90","","1223.56","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","[peaH]2[Cu(II)(mal)2(H2O)2]","[peaH]2[Cu(II)(mal)2(H2O)2]","","- C22 H32 Cu N2 O10 -","- C22 H32 Cu N2 O10 -","- C44 H64 Cu2 N4 O20 -","2","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0321","0.0259","","","0.0689","0.0905","","","","","","1.18","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502712","7.277","0.001","10.052","0.002","14.476","0.003","90","","93.71","0.01","90","","1056.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","didanosine","2',3'-dideoxyinosine 0.125-hydrate","","- C10 H12.25 N4 O3.125 -","- C10 H12 N4 O3.125 -","- C40 H48 N16 O12.5 -","4","2","","Martins, Felipe T.; Legendre, Alexandre O.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Ellena, Javier","Solvothermal Preparation of Drug Crystals: Didanosine","Crystal Growth & Design","2010","10","4","1885","","10.1021/cg9015959","","x-ray","0.71073","MoKα","","0.0945","0.0583","","","0.1269","0.1456","","","","","","1.04","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502732","9.174","0.002","12.858","0.003","9.593","0.003","90","","90.841","0.003","90","","1131.5","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O8 Zn2 -","- C16 H28 O8 Zn2 -","- C32 H56 O16 Zn4 -","2","1","","Kotal, Atanu; Paira, Tapas K.; Banerjee, Sanjib; Mandal, Tarun K.","Ultrasound-induced in situ formation of coordination organogels from isobutyric acids and zinc oxide nanoparticles.","Langmuir : the ACS journal of surfaces and colloids","2010","26","9","6576","6582","10.1021/la903923q","","","0.71073","MoKα","","0.0716","0.0379","","","0.0946","0.1129","","","","","","1.025","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502847","15.0249","0.0012","6.1107","0.0005","28.663","0.002","90","","97.386","0.004","90","","2609.8","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1 Cholesterol:Propanol solvate","","","- C57 H100 O3 -","- C57 H100 O3 -","- C114 H200 O6 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0643","0.0428","","","0.0925","0.1039","","","","","","0.998","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502848","15.0634","0.0009","6.0931","0.0004","29.1765","0.0018","90","","96.583","0.003","90","","2660.2","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1 Cholesterol:Butanol solvate","","","- C58 H102 O3 -","- C58 H102 O3 -","- C116 H204 O6 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0894","0.0642","","","0.1611","0.1829","","","","","","1.044","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502851","11.5935","0.0009","6.1697","0.0005","21.1002","0.0016","90","","105.446","0.004","90","","1454.8","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","1:1 Cholesterol:Phenol solvate","","","- C33 H52 O2 -","- C33 H52 O2 -","- C66 H104 O4 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0534","0.0466","","","0.1225","0.129","","","","","","1.027","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502852","15.699","0.002","7.5133","0.0009","23.492","0.003","90","","94.643","0.009","90","","2761.8","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1:1 Cholesterol: Benzyl alcohol hydrate","","","- C61 H102 O4 -","- C61 H102 O4 -","- C122 H204 O8 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0621","0.0391","","","0.08","0.0886","","","","","","1.016","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502956","10.578","0.004","11.874","0.005","32.517","0.013","90","","94.152","0.007","90","","4074","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C168 H192 N16 O40 -","8","4","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.1725","0.088","","","0.1972","0.2402","","","","","","1.027","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502957","9.4118","0.0008","22.0408","0.0019","11.9009","0.001","90","","109.246","0.003","90","","2330.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","2","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.0888","0.0473","","","0.1194","0.1509","","","","","","0.811","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502988","11.9394","0.0011","5.6442","0.0005","13.2328","0.0012","90","","109.936","0.01","90","","838.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","1.54184","CuKα","","0.049","0.0443","","","0.1209","0.1276","","","","","","1.095","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4503011","16.4358","0.0009","8.0564","0.0004","19.5073","0.0011","90","","100.12","0.004","90","","2542.8","0.2","150","0.02","150","0.02","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C45 H82 O28 -","- C45 H82 O28 -","- C90 H164 O56 -","2","1","","Upreti, Mani; Smit, Jared P.; Hagen, Eric J.; Smolenskaya, Valeriya N.; Prakash, Indra","Single Crystal Growth and Structure Determination of the Natural “High Potency” Sweetener Rebaudioside A","Crystal Growth & Design","2012","12","2","990","","10.1021/cg201463g","","","1.54184","CU-Kα","","0.064","0.058","","","0.157","0.162","","","","","","1.067","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503034","7.4281","0.0002","7.7164","0.0002","16.3508","0.0005","90","","93.283","0.001","90","","935.66","0.05","173","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-2-(2-bromophenoxy)propionic acid/(S)-2-(2-chlorophenoxy)propionic acid","","- C18 H18 Br Cl O6 -","- C18 H18 Br Cl O6 -","- C36 H36 Br2 Cl2 O12 -","2","1","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","1.54178","CuKα","","0.0291","0.0291","","","0.0868","0.0868","","","","","","1.092","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503035","7.3844","0.0003","7.8299","0.0004","16.409","0.0008","90","","93.838","0.003","90","","946.63","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2-(2-bromophenoxy)propionic acid/(S)-2-(2-methyl)propionic acid","","- C19 H21 Br O6 -","- C19 H21 Br O6 -","- C38 H42 Br2 O12 -","2","1","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","0.71073","MoKα","","0.0434","0.031","","","0.0688","0.0724","","","","","","0.998","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503036","11.1927","0.0002","11.1966","0.0002","31.0565","0.0006","90","","90.32","0.001","90","","3891.95","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2-(2-bromophenoxy)propionic acid/(S)-2-(2-methyl)propionic acid","","- C19 H21 Br O6 -","- C19 H21 Br O6 -","- C152 H168 Br8 O48 -","8","4","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","0.71073","MoKα","","0.0695","0.0496","","","0.1315","0.142","","","","","","1.069","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503037","7.0664","0.0019","7.532","0.002","7.645","0.002","90","","117.363","0.004","90","","361.37","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 Mn N2 O5 -","- C5 H4 Mn N2 O5 -","- C10 H8 Mn2 N4 O10 -","2","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0313","0.0275","","","0.0673","0.069","","","","","","1.029","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503071","7.0732","0.0003","11.2715","0.0006","30.645","0.002","90","","94.895","0.006","90","","2434.3","0.2","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","ethinyl estradiol dimethylformamide","","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C104 H152 N8 O16 -","4","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.1406","0.1306","","0.3801","0.3729","0.3801","","","1.662","","","1.662","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503072","7.725","0.0004","14.681","0.0013","23.9456","0.0016","90","","94.327","0.004","90","","2707.9","0.3","208","2","208","2","","","","","","","","3","P 1 21 1","P 2yb","4","ethinyl estradiol ethanolate","","","- C21.33 H28 O2.67 -","- C21.1513 H27.454 O2.57567 -","- C126.908 H164.724 O15.454 -","6","3","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.1386","0.0643","","0.1492","0.1219","0.1492","","","1.02","","","1.02","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503074","6.6449","0.0007","16.5425","0.0014","8.648","0.0004","90","","106.09","0.007","90","","913.38","0.13","208","2","208","2","","","","","","","","3","P 1 21 1","P 2yb","4","ethinyl estradiol methanolate","","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0554","0.0412","","0.0877","0.0828","0.0877","","","1.037","","","1.037","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503075","12.2381","0.0005","6.7999","0.0007","21.4221","0.0014","90","","94.878","0.004","90","","1776.2","0.2","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","ethinyl estradiol nitromethane","","","- C20.5 H25.5 N0.5 O3 -","- C20.5 H25.5 N0.5 O3 -","- C82 H102 N2 O12 -","4","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0766","0.0588","","0.1628","0.1534","0.1628","","","1.099","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503104","5.0669","0.0009","5.3543","0.0009","19.302","0.003","90","","95.512","0.003","90","","521.24","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H6 F2 N O -","- C13 H6 F2 N O -","- C26 H12 F4 N2 O2 -","2","1","","Chopra, Deepak; Row, T. N. Guru","Disorder Induced Concomitant Polymorphism in 3-Fluoro-N-(3-fluorophenyl)benzamide","Crystal Growth & Design","2008","8","3","848","","10.1021/cg070350y","","","0.71073","MoKα","","0.0934","0.061","","","0.1516","0.1721","","","","","","1.08","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503128","7.5336","0.0002","17.6877","0.0005","8.1416","0.0002","90","","94.872","0.001","90","","1080.97","0.05","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","2","","Trevor, Susannah L.; Butler, Micheal F.; Adams, Sarah; Laity, Peter R.; Burley, Jonathan C.; Cameron, Ruth E.","Structure and Phase Transitions of Genipin, An Herbal Medicine and Naturally Occurring Cross-Linker","Crystal Growth & Design","2008","8","5","1748","","10.1021/cg070560a","","","0.71073","MoKα","","0.0409","0.0382","","","0.0927","0.0946","","","","","","1.067","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503137","4.693","0.0001","19.9373","0.0004","7.5503","0.0002","90","","103.159","0.001","90","","687.9","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-deoxylactose","","","- C12 H22 O10 -","- C12 H22 O10 -","- C24 H44 O20 -","2","1","","Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E.","Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose","Crystal Growth & Design","2008","8","11","3927","","10.1021/cg070598n","","","0.71073","MoKα","","0.03","0.0269","","","0.0653","0.0676","","","","","","1.066","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503162","9.8929","0.0018","17.476","0.003","21.884","0.004","90","","94.645","0.004","90","","3771.1","1.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","{C~60~[CH~2~N(CH~3~)(CH~2~CH~3~)]CH~2~}I^.^CH~3~CH~2~I","N-methyl-N-ethyl-3,4-[60]fulleropyrrolidium iodide ethylliodide solvate","","- C67 H17 I2 N -","- C67 H17 I2 N -","- C268 H68 I8 N4 -","4","2","","Chancellor, Christopher J.; Thorn, Adrienne A.; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.","Bilayer Packing of Amphiphilic Cationic Fullerenes in Crystalline Salts: Models for Self-Assembled Nanostructures","Crystal Growth & Design","2008","8","3","976","","10.1021/cg070643r","","","0.7749","synchrotron","","0.0709","0.0648","","","0.1819","0.1885","","","","","","0.957","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503166","5.8237","0.0004","6.9339","0.0005","14.7231","0.0011","90","","93.588","0.003","90","","593.37","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 Ca O5 -","- C14 H8 Ca O5 -","- C28 H16 Ca2 O10 -","2","1","","Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry","Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates","Crystal Growth & Design","2008","8","2","685","","10.1021/cg700685g","","","0.71073","MoKα","","0.0683","0.0416","","","0.0938","0.1237","","","","","","1.12","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503168","16.7039","0.0011","14.0024","0.0009","26.8224","0.0017","90","","91.165","0.001","90","","6272.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H146.5 Cd8 N8 O77.5 -","- C88 H127 Cd8 N8 O77.25 -","- C176 H254 Cd16 N16 O154.5 -","2","1","","Lee, Ho Yong; Park, Jaejoon; Lah, Myoung Soo; Hong, Jong-In","One-Dimensional Double Helical Structure and 4-Fold Type [2 + 2] Interpenetration of Diamondoid Networks with Helical Fashion","Crystal Growth & Design","2008","8","2","587","","10.1021/cg7007232","","","0.71073","MoKα","","0.0337","0.0304","","","0.0717","0.0733","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503177","5.086","0.002","7.193","0.002","22.6641","0.0014","90","","94.25","0.016","90","","826.9","0.4","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H34 O2 -","- C16 H34 O2 -","- C32 H68 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0364","","","","0.1174","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503178","5.0706","0.0017","7.212","0.003","25.2067","0.0012","90","","93.831","0.014","90","","919.7","0.5","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H38 O2 -","- C18 H38 O2 -","- C36 H76 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0378","","","","0.1218","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503179","5.058","0.003","7.219","0.004","27.746","0.002","90","","93.47","0.02","90","","1011.3","0.8","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H42 O2 -","- C20 H42 O2 -","- C40 H84 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0454","","","","0.159","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503180","5.045","0.002","7.256","0.004","30.29","0.0015","90","","93.226","0.017","90","","1107.1","0.8","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H46 O2 -","- C22 H46 O2 -","- C44 H92 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0447","","","","0.1509","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503181","5.036","0.003","7.25","0.004","32.833","0.0018","90","","92.94","0.02","90","","1197.2","1","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H50 O2 -","- C24 H50 O2 -","- C48 H100 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0394","","","","0.1263","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503206","5.5346","0.0001","7.4562","0.0001","8.8342","0.0001","90","","90.897","0.001","90","","364.517","0.009","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba2 Mo4 O18 Te2 -","2","1","","Zhang, Weiguo; Tao, Xutang; Zhang, Chengqian; Gao, Zeliang; Zhang, Yongzhuan; Yu, Wentao; Cheng, Xiufeng; Liu, Xuesong; Jiang, Minhua","Bulk Growth and Characterization of a Novel Nonlinear Optical Crystal BaTeMo2O9","Crystal Growth & Design","2008","8","1","304","","10.1021/cg700755p","","","0.71073","MoKα","","0.0163","0.0162","","","0.036","0.0361","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503244","12.441","0.007","7.59","0.004","12.84","0.007","90","","101.456","0.009","90","","1188.3","1.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H35 N13 O2 -","- C21 H35 N13 O2 -","- C42 H70 N26 O4 -","2","1","","Manzano, Blanca R.; Jalón, Félix A.; Soriano, M. Laura; Rodríguez, Ana M.; Hoz, Antonio de la; Sánchez-Migallón, Ana","Multiple Hydrogen Bonds in the Self-Assembly of Aminotriazine and Glutarimide. Decisive Role of the Triazine Substituents","Crystal Growth & Design","2008","8","5","1585","","10.1021/cg7008682","","","0.71069","MoKα","","0.1818","0.1255","","","0.296","0.3627","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503266","9.125","0.0013","10.301","0.0015","11.889","0.0017","90","","109.207","0.002","90","","1055.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Sparfloxamine trihydrate","","","- C19 H28 F2 N4 O6 -","- C19 H28 F2 N4 O6 -","- C38 H56 F4 N8 O12 -","2","1","","Llinàs, Antonio; Burley, Jonathan C.; Prior, Timothy J.; Glen, Robert C.; Goodman, Jonathan M.","Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution","Crystal Growth & Design","2008","8","1","114","","10.1021/cg700908m","","","0.6904","synchrotron","","0.0782","0.0571","","","0.1377","0.1511","","","","","","0.976","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503267","9.1533","0.0003","10.3248","0.0004","11.9341","0.0004","90","","109.221","0.002","90","","1064.97","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 F2 N4 O6 -","- C19 H28 F2 N4 O6 -","- C38 H56 F4 N8 O12 -","2","1","","Llinàs, Antonio; Burley, Jonathan C.; Prior, Timothy J.; Glen, Robert C.; Goodman, Jonathan M.","Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution","Crystal Growth & Design","2008","8","1","114","","10.1021/cg700908m","","","0.71073","MoKα","","0.0458","0.0373","","","0.0859","0.0905","","","","","","1.038","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503275","11.771","0.0003","4.789","0.0007","26.329","0.0016","90","","96.822","0.001","90","","1473.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 O10 Zn2 -","- C31 H20 N4 O10 Zn2 -","- C62 H40 N8 O20 Zn4 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.0499","0.0389","","","0.0871","0.0925","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503290","10.225","0.005","19.053","0.005","13.954","0.005","90","","99.509","0.005","90","","2681.1","1.8","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H27 K2 N2 O22.5 Zr -","- C14 H14 K2 N2 O22.5 Zr -","- C56 H56 K8 N8 O90 Zr4 -","4","2","","Thétiot, Franck; Duhayon, Carine; Venkatakrishnan, Thengarai S.; Sutter, Jean-Pascal","Modular Assembling of [Zr(C2O4)4]4−and [DabcoH2]2+Units in Supramolecular Hybrid Architectures Including an Open Framework with Reversible Sorption Properties (Dabco = 1,4-Diazabicyclo[2. 2. 2]octane)","Crystal Growth & Design","2008","8","6","1870","","10.1021/cg700971n","","","0.71073","MoKα","","0.0513","0.0432","","0.0585","0.054","0.054","","","","","","1.0289","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503305","5.9514","0.0012","20.416","0.004","9.1338","0.0018","90","","94.53","0.03","90","","1106.3","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,6-Ditertiarybutylfuchsone","2,6-Ditertiarybutyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C27 H30 O -","- C27 H30 O -","- C54 H60 O2 -","2","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0695","0.0538","","","0.1038","0.1084","","","","","","1.186","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503323","6.1262","0.0003","14.4772","0.0006","7.2157","0.0003","90","","111.217","0.003","90","","596.58","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H3 N2 S2 -","- C5 H3 N2 S2 -","- C20 H12 N8 S8 -","4","2","","Alberola, Antonio; Clements, Owen P.; Collis, Rebecca J.; Cubbitt, Louisa; Grant, Craig M.; Less, Robert J.; Oakley, Richard T.; Rawson, Jeremy M.; Reed, Robert W.; Robertson, Craig M.","Polymorphism in a π-Stacked 1,3,2-Dithiazolyl Radical: Pyridyl-1,3,2-Dithiazolyl","Crystal Growth & Design","2008","8","1","155","","10.1021/cg7010056","","","0.71073","MoKα","","0.0415","0.0378","","","0.0872","0.0889","","","","","","0.99","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503331","12.0907","0.0005","7.8788","0.0003","16.2614","0.0007","90","","109.618","0.002","90","","1459.14","0.1","213.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5419","CuKα","","","0.0911","","","","0.2147","","","","","","2.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503332","13.696","0.002","8.044","0.001","14.621","0.004","90","","115.814","0.009","90","","1450.1","0.5","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O5 -","- C30 H44 Cl2 O5 -","- C60 H88 Cl4 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.059","","","","0.1491","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503333","12.0042","0.0006","8.0636","0.0003","15.8246","0.0007","90","","108.242","0.001","90","","1454.79","0.11","197.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Cl O5 -","- C31 H47 Cl O5 -","- C62 H94 Cl2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0484","","","","0.1218","","","","","","1.263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503334","13.4675","0.0003","8.31206","0.00018","14.1388","0.0003","90","","114.091","0.0013","90","","1444.88","0.06","193.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Cl O5 -","- C31 H47 Cl O5 -","- C62 H94 Cl2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.0955","","","","0.2703","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503335","11.9854","0.0007","8.089","0.0006","15.847","0.001","90","","108.35","0.003","90","","1458.24","0.17","213.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Br Cl O5 -","- C30 H44 Br Cl O5 -","- C60 H88 Br2 Cl2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0751","","","","0.2047","","","","","","2.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503336","12.047","0.002","8.151","0.001","15.856","0.002","90","","108.639","0.003","90","","1475.3","0.4","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Br O5 -","- C31 H47 Br O5 -","- C62 H94 Br2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.177","","","","0.4436","","","","","","1.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503337","11.797","0.001","8.112","0.002","16.13","0.003","90","","109.068","0.005","90","","1458.9","0.5","198.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Br O5 -","- C31 H47 Br O5 -","- C62 H94 Br2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0656","","","","0.2156","","","","","","1.695","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503338","12.099","0.002","8.1616","0.0009","16.377","0.002","90","","109.886","0.007","90","","1520.8","0.4","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 I O5 -","- C31 H47 I O5 -","- C62 H94 I2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0795","","","","0.2015","","","","","","1.568","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503339","12.0888","0.0007","7.8629","0.0004","16.6203","0.0009","90","","112.464","0.003","90","","1459.93","0.14","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N O4 -","- C32 H47 N O4 -","- C64 H94 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.0662","","","","0.1853","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503340","12.0802","0.0005","7.9072","0.0003","16.411","0.0008","90","","112.028","0.0019","90","","1453.16","0.11","213.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H46 I N O4 -","- C30 H46 I N O4 -","- C60 H92 I2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1715","","","","0.4698","","","","","","1.226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503341","12.057","0.002","7.7632","0.0006","16.441","0.002","90","","111.371","0.004","90","","1433.1","0.3","198.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H49 N O5 -","- C31 H49 N O5 -","- C62 H98 N2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0602","","","","0.1756","","","","","","1.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503342","12.0897","0.0004","7.8764","0.0003","16.3646","0.0005","90","","110.882","0.0017","90","","1455.94","0.09","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 N O4 -","- C32 H49 N O4 -","- C64 H98 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1658","","","","0.4466","","","","","","1.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503343","12.1491","0.0007","7.7752","0.0004","16.6507","0.0008","90","","112.491","0.002","90","","1453.22","0.13","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O4 -","- C32 H51 N O4 -","- C64 H102 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1265","","","","0.3901","","","","","","1.164","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503344","12.2082","0.0003","7.88262","0.00017","30.6964","0.0006","90","","91.2679","0.0011","90","","2953.27","0.11","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H98 N2 O10 -","- C64 H98 N2 O10 -","- C128 H196 N4 O20 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.0933","","","","0.2514","","","","","","1.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503345","12.1693","0.0004","7.8389","0.0003","16.5194","0.0005","90","","109.846","0.002","90","","1482.26","0.09","213.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N O4 -","- C33 H53 N O4 -","- C66 H106 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5419","CuKα","","","0.1143","","","","0.262","","","","","","1.581","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503346","7.51195","0.00019","25.7563","0.0006","13.5681","0.0004","90","","90.942","0.0014","90","","2624.8","0.12","213.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H89 Cl N2 O8 -","- C55 H89 Cl N2 O8 -","- C110 H178 Cl2 N4 O16 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1363","","","","0.3989","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503347","12.1473","0.0007","7.9491","0.0003","16.0193","0.0007","90","","108.141","0.001","90","","1469.94","0.12","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Cl N O4 -","- C31 H48 Cl N O4 -","- C62 H96 Cl2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0699","","","","0.1603","","","","","","2.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503348","12.139","0.003","7.924","0.002","16.334","0.003","90","","109.524","0.008","90","","1480.8","0.6","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Cl N O4 -","- C31 H48 Cl N O4 -","- C62 H96 Cl2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.1108","","","","0.2507","","","","","","2.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503349","12.191","0.002","7.948","0.002","16.062","0.003","90","","108.286","0.007","90","","1477.7","0.5","203.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H45 Br Cl N O4 -","- C30 H45 Br Cl N O4 -","- C60 H90 Br2 Cl2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0898","","","","0.2196","","","","","","1.445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503350","12.1387","0.0003","7.9678","0.0002","16.0506","0.0004","90","","107.984","0.001","90","","1476.55","0.06","213.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O4 -","- C32 H51 N O4 -","- C64 H102 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5419","CuKα","","","0.0782","","","","0.2188","","","","","","2.419","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503351","12.116","0.003","8","0.002","15.816","0.006","90","","109.952","0.008","90","","1441","0.7","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O4 -","- C32 H51 N O4 -","- C64 H102 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.059","","","","0.159","","","","","","1.51","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503352","7.4504","0.0007","25.4993","0.0018","13.4933","0.0015","90","","90.036","0.004","90","","2563.5","0.4","203.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H89 Br N2 O8 -","- C55 H89 Br N2 O8 -","- C110 H178 Br2 N4 O16 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54178","CuKα","","","0.1359","","","","0.3748","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503353","12.028","0.001","7.917","0.001","16.058","0.002","90","","107.457","0.008","90","","1458.7","0.3","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Br N O4 -","- C31 H48 Br N O4 -","- C62 H96 Br2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0924","","","","0.2284","","","","","","1.776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503354","12.0131","0.0003","7.9178","0.0002","16.3375","0.0004","90","","108.724","0.0017","90","","1471.74","0.07","213.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Br N O4 -","- C31 H48 Br N O4 -","- C62 H96 Br2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.075","","","","0.2239","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503355","12.1293","0.0001","8.0217","0.0003","16.1373","0.0006","90","","108.674","0.007","90","","1487.46","0.1","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 I N O4 -","- C31 H48 I N O4 -","- C62 H96 I2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0709","","","","0.1687","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503356","7.493","0.002","25.654","0.006","13.75","0.003","90","","90.13","0.02","90","","2643.1","1.1","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H94 N2 O8 -","- C57 H94 N2 O8 -","- C114 H188 N4 O16 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0906","","","","0.2295","","","","","","3.725","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503381","11.024","0.002","11.295","0.002","22.04","0.004","90","","96.15","0.03","90","","2728.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Co N8 O12 -","- C24 H20 Co N8 O12 -","- C96 H80 Co4 N32 O48 -","4","2","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","","0.71073","MoKα","","0.0719","0.0452","","","0.0935","0.1035","","","","","","1.018","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503484","6.8815","0.0006","12.8502","0.0012","21.837","0.002","90","","91.72","0.002","90","","1930.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H66 Mn8 N8 O57 -","- C56 H62 Mn8 N8 O57 -","- C56 H62 Mn8 N8 O57 -","1","0.5","","Bai, Zheng-Shuai; Qi, Zhao-Peng; Lu, Yi; Yuan, Qing; Sun, Wei-Yin","Novel Inorganic‒Organic Hybrid Frameworks of Manganese(II): Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2008","8","6","1924","","10.1021/cg7011952","","","0.71073","MoKα","","0.081","0.066","","","0.125","0.1323","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503504","7.089","0.002","18.117","0.005","8.849","0.002","90","","101.95","0.03","90","","1111.9","0.5","293","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 N4 O10 U -","- C14 H26 N4 O10 U -","- C28 H52 N8 O20 U2 -","2","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0527","0.0437","","","0.108","0.1121","","","","","","1.051","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503559","5.411","0.0006","55.883","0.006","11.9006","0.0013","90","","90.004","0.002","90","","3598.5","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C152 H192 N16 O24 -","8","4","","Berry, David J.; Seaton, Colin C.; Clegg, William; Harrington, Ross W.; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.; Storey, Richard; Jones, William; Friščić, Tomislav; Blagden, Nicholas","Applying Hot-Stage Microscopy to Co-Crystal Screening: A Study of Nicotinamide with Seven Active Pharmaceutical Ingredients","Crystal Growth & Design","2008","8","5","1697","","10.1021/cg800035w","","","0.6926","synchrotron","","0.0582","0.0507","","","0.1331","0.138","","","","","","1.052","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503592","14.1071","0.0012","9.5108","0.0008","15.4049","0.0013","90","","113.802","0.001","90","","1891.1","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H24 N18 Zn3 -","- C36 H24 N18 Zn3 -","- C72 H48 N36 Zn6 -","2","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Xing, Yan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Assembly of a Chiral Bikitaite Zeolite Metal−Organic Framework Based on the Asymmetrical Tetrahedral Building Blocks","Crystal Growth & Design","2008","8","8","2986","","10.1021/cg800103b","","","0.71073","MoKα","","0.0499","0.0341","","","0.0605","0.0653","","","","","","0.96","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503623","29.956","0.003","12.2104","0.0014","6.1754","0.0006","90","","94.127","0.009","90","","2252.9","0.4","298.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","stanolone L-tartaric acid 1:1 cocrystal","17B-hydroxy-5A-androstan-3-one L-tartaric acid","","- C23 H36 O8 -","- C23 H36 O8 -","- C92 H144 O32 -","4","2","","Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide","Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization","Crystal Growth & Design","2008","8","8","3032","","10.1021/cg800156k","","","1.54178","CuKα","","","0.0407","","","","0.102","","","","","","0.999","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503625","6.4321","0.0006","21.773","0.002","6.3848","0.0008","90","","104.482","0.008","90","","865.76","0.16","298.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","mestanolone","17B-hydroxy-17A-methyl-5A-androstan-3-one","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","","Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide","Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization","Crystal Growth & Design","2008","8","8","3032","","10.1021/cg800156k","","","1.54178","CuKα","","","0.035","","","","0.0858","","","","","","1.013","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503694","11.882","0.005","17.024","0.007","13.724","0.006","90","","93.978","0.008","90","","2769","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H82 N8 O29 P6 -","- C36 H82 N8 O29 P6 -","- C72 H164 N16 O58 P12 -","2","1","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity","Crystal Growth & Design","2008","8","10","3689","","10.1021/cg800292e","","","0.71073","MoKα","","0.0466","0.0411","","","0.1057","0.1093","","","","","","1.037","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503728","9.3866","0.0008","5.7927","0.0005","15.8363","0.0013","90","","106.364","0.001","90","","826.2","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C44 H38 N2 O4 -","2","1","","Imai, Yoshitane; Murata, Katuzo; Asano, Natsuyo; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Selective Formation and Optical Property of a 21-Helical Columnar Fluorophore Composed of Achiral 2-Anthracenecarboxylic Acid and Benzylamine","Crystal Growth & Design","2008","8","9","3376","","10.1021/cg800335t","","","0.71073","MoKα","","0.0472","0.0422","","","0.1","0.1034","","","","","","1.036","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503732","8.6871","0.0007","44.926","0.004","14.2383","0.0012","90","","90.113","0.004","90","","5556.9","0.8","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[methyl(phenyl)amino]nicotinic acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C260 H240 N40 O40 -","20","10","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","1.54178","CuKα","","0.0519","0.0488","","","0.1594","0.162","","","","","","1.071","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503748","9.694","0.005","10.117","0.005","19.488","0.01","90","","104.04","0.008","90","","1854.2","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H28 N O15 P3 Zn4 -","- C27 H28 N O15 P3 Zn4 -","- C54 H56 N2 O30 P6 Zn8 -","2","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.0949","0.0768","","","0.1378","0.1445","","","","","","1.122","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503783","6.62","0.002","4.911","0.001","15.332","0.004","90","","101.158","0.013","90","","489","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(3-bromophenoxy)propanoic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C18 H18 Br2 O6 -","2","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0582","0.0433","","","0.0929","0.099","","","","","","1.036","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503784","7.832","0.002","6.1604","0.0007","11.563","0.002","90","","96.18","0.02","90","","554.65","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-2-(3-methoxyphenoxy)propanoic acid","","- C10 H14 O5 -","- C10 H14 O5 -","- C20 H28 O10 -","2","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","1.54178","CuKα","","0.0542","0.0535","","","0.1319","0.1337","","","","","","1.085","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503797","10.4951","0.0005","17.3181","0.0009","16.1159","0.0008","90","","97.373","0.001","90","","2904.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H58 N24 O3 Zn2 -","- C54 H58 N24 O3 Zn2 -","- C108 H116 N48 O6 Zn4 -","2","1","","Fu, Da-Wei; Zhang, Wen; Xiong, Ren-Gen","Isotope Effect on SHG Response and Ferroelectric Properties of a Homochiral Zinc Coordination Compound Containing Tetrazole Ligand","Crystal Growth & Design","2008","8","9","3461","","10.1021/cg800507k","","","0.71073","MoKα","","0.0678","0.0573","","","0.1175","0.1197","","","","","","1.013","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503798","10.5166","0.0008","17.3154","0.0012","16.247","0.0012","90","","96.811","0.002","90","","2937.7","0.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H56 D2 N24 O3 Zn2 -","- C54 H56 D2 N24 O3 Zn2 -","- C108 H112 D4 N48 O6 Zn4 -","2","1","","Fu, Da-Wei; Zhang, Wen; Xiong, Ren-Gen","Isotope Effect on SHG Response and Ferroelectric Properties of a Homochiral Zinc Coordination Compound Containing Tetrazole Ligand","Crystal Growth & Design","2008","8","9","3461","","10.1021/cg800507k","","","0.71073","MoKα","","0.0725","0.0622","","","0.1271","0.1299","","","","","","1.029","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503830","9.392","0.0006","16.8501","0.0011","23.7478","0.0016","90","","90.237","0.004","90","","3758.2","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","0.5:1:6 succinic acid:I:methanol","Iminodicarboxylic acid trans-4-aminocyclohexyl mutilin-14 ester, succinic acid salt, methanol solvate (2:1:6)","","- C66 H118 N4 O22 -","- C66 H118 N4 O22 -","- C132 H236 N8 O44 -","2","1","","Clawson, Jacalyn S.; Vogt, Frederick G.; Brum, Jeffrey; Sisko, Joseph; Patience, Daniel B.; Dai, Wenning; Sharpe, Sonja; Jones, Alan D.; Pham, Tran N.; Johnson, Matthew N.; Copley, Royston C. P.","Formation and Characterization of Crystals Containing a Pleuromutilin Derivative, Succinic Acid and Water","Crystal Growth & Design","2008","8","11","4120","","10.1021/cg8005713","","","1.54178","CuKα","","0.0833","0.0824","","","0.2213","0.2226","","","","","","1.05","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503906","6.8413","0.0007","22.006","0.002","12.6487","0.0013","90","","93.252","0.002","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 F3 O7 S -","- C19 H19 F3 O7 S -","- C76 H76 F12 O28 S4 -","4","2","","Beer, Leanne; Mandal, Swadhin K.; Reed, Robert W.; Oakley, Richard T.; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","The First Electronically Stabilized Phenalenyl Radical: Effect of Substituents on Solution Chemistry and Solid-State Structure","Crystal Growth & Design","2007","7","4","802","","10.1021/cg0603366","","","0.71073","MoKα","","0.0549","0.0501","","","0.1335","0.1378","","","","","","1.059","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503968","8.2178","0.0005","21.2814","0.0013","8.595","0.0005","90","","96.088","0.001","90","","1494.67","0.16","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Li6 Mo12 O39 -","- Li6 Mo12 O39 -","- Li12 Mo24 O78 -","2","1","","Smit, Jared P.; Stair, Peter C.; Poeppelmeier, Kenneth R.","Polymorphism in Li2Mo4O13Revisited","Crystal Growth & Design","2007","7","3","521","","10.1021/cg060576l","","","0.71073","MoKα","","0.025","0.0225","","","0.0536","0.0547","","","","","","1.026","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504077","11.079","0.004","8.22","0.004","11.525","0.005","90","","112.95","0.05","90","","966.5","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 O12 S -","- C12 H24 O12 S -","- C24 H48 O24 S2 -","2","1","","Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes","Crystal Growth & Design","2007","7","5","919","","10.1021/cg0607598","","","0.71073","MoKα","","0.2205","0.0883","","","0.2382","0.3356","","","","","","0.896","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504134","13.696","0.002","5.997","0.0007","17.017","0.004","90","","101.213","0.007","90","","1371","0.4","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N O4 -","- C31 H33 N O4 -","- C62 H66 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.049","","","","0.057","","","","","","0.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504135","13.92","0.02","5.883","0.007","17.85","0.02","90","","107.98","0.02","90","","1390","3","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O4 -","- C32 H35 N O4 -","- C64 H70 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.052","","","","0.07","","","","","","0.735","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504139","13.72","0.02","5.605","0.007","18.35","0.03","90","0.01","105.995","0.012","90","0.01","1356","3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.2617","0.1483","","","0.3367","0.4386","","","","","","1.025","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504144","13.519","0.01","6.014","0.004","17.972","0.013","90","0.003","109.965","0.003","90","0.003","1373.4","1.7","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.0954","0.0664","","","0.1455","0.18","","","","","","1.145","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504146","13.54","0.02","6.29","0.009","17.04","0.03","90","","104.41","0.02","90","","1406","4","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N O4 -","- C35 H33 N O4 -","- C70 H66 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.054","","","","0.055","","","","","","0.663","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504147","14.064","0.002","6.195","0.0012","17.464","0.005","90","","107.012","0.009","90","","1455","0.5","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 N O4 -","- C36 H35 N O4 -","- C72 H70 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.129","","","","0.151","","","","","","2.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504288","8.7615","0.0006","18.5982","0.0013","9.0395","0.0006","90","","105.503","0.001","90","","1419.38","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H6 Cd N12 -","- C10 H6 Cd N12 -","- C40 H24 Cd4 N48 -","4","2","","Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng","Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis","Crystal Growth & Design","2007","7","10","1992","","10.1021/cg0702333","","","0.71073","MoKα","","0.0301","0.0291","","","0.0769","0.0775","","","","","","1.058","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504300","13.337","0.008","8.622","0.005","23.425","0.016","90","","106.032","0.009","90","","2589","3","298","2","298","2","","","","","","","Synthesized","6","P 1 21 1","P 2yb","4","Cu2(L-Salmet)2","","","- C48 H55 Cu4 N4 O12 S4 -","- C48 H55 Cu4 N4 O12 S4 -","- C96 H110 Cu8 N8 O24 S8 -","2","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","x-ray","0.71073","MoKα","","0.0586","0.055","","","0.1625","0.1664","","","","","","1.174","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504301","6.9706","0.0007","21.827","0.002","11.0363","0.0012","90","","100.638","0.007","90","","1650.3","0.3","298","2","298","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","Cusalmetim","","","- C15 H19 Cu N3 O3 S -","- C15 H19 Cu N3 O3 S -","- C60 H76 Cu4 N12 O12 S4 -","4","2","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","","0.71073","MoKα","","0.0806","0.0509","","","0.1064","0.1149","","","","","","1.248","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504303","19.625","0.012","9.617","0.006","41.56","0.03","90","","92.26","0.011","90","","7838","9","293","2","293","2","","","","","","","Synthesized","5","P 1 21 1","P 2yb","4","Cu(Salhis)imidazole H2O","","","- C128 H136 Cu8 N40 O36 -","- C128 H136 Cu8 N40 O36 -","- C256 H272 Cu16 N80 O72 -","2","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","x-ray","0.71073","MoKα","","0.208","0.1044","","","0.2324","0.2932","","","","","","0.955","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504353","7.5223","0.0016","4.8304","0.0011","19.125","0.005","90","","91.465","0.007","90","","694.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O -","- C17 H17 N O -","- C34 H34 N2 O2 -","2","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.0904","0.0572","","","0.1352","0.1588","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504508","15.371","0.003","21.945","0.004","15.966","0.003","90","","90.07","0.03","90","","5385.6","1.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","","","- C70 H94 O9 -","- C62 H70.5 O9 -","- C248 H282 O36 -","4","2","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.9726","-","","0.0907","0.0874","","","0.2301","0.2343","","","","","","1.061","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504593","5.0579","0.0003","7.0018","0.0003","7.647","0.0005","90","","91.716","0.003","90","","270.69","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-amino-1,2,3-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C4 H10 Cl2 N8 -","2","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.021","0.0203","","","0.0527","0.0532","","","","","","1.111","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504635","25.641","0.007","11.581","0.002","27.303","0.008","90","","106.598","0.016","90","","7770","3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-dimethylammonium,8-dimethylaminonaphthalene ororate","","- C19 H22 N4 O4 -","- C19 H22 N4 O4 -","- C304 H352 N64 O64 -","16","8","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.71073","MoKα","","0.1023","0.0802","","","0.209","0.2212","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504745","3.733","0.0006","12.125","0.002","16.889","0.003","90","","91.896","0.003","90","","764","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","7","","","- C15 H10 Ag N5 O4 -","- C15 H10 Ag N5 O4 -","- C30 H20 Ag2 N10 O8 -","2","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0477","0.042","","","0.0962","0.0989","","","","","","1.007","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504765","8.7166","0.0017","13.711","0.003","9.2663","0.0019","90","","112.1","0.03","90","","1026.1","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H14 Ag F6 N4 O2 P -","- C18 H14 Ag F6 N4 O2 P -","- C36 H28 Ag2 F12 N8 O4 P2 -","2","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0552","0.0466","","","0.1168","0.1237","","","","","","1.038","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504866","11.902","0.004","11.061","0.003","3.9951","0.0013","90","","90.849","0.007","90","","525.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C24 H14 Br4 N2 -","2","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0775","0.0705","","","0.1759","0.1812","","","","","","0.998","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504901","14.115","0.003","11.592","0.003","17.743","0.004","90","","92.529","0.004","90","","2900.3","1.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C31 H32 O11 S -","- C31 H32 O11 S -","- C124 H128 O44 S4 -","4","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0532","0.0484","","","0.123","0.1269","","","","","","1.024","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504906","15.937","0.004","11.054","0.003","22.206","0.006","90","","108.432","0.004","90","","3711.3","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36.5 H43 O13.75 S -","- C36.5 H43 O13.75 S -","- C146 H172 O55 S4 -","4","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.1149","0.0911","","","0.247","0.2697","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505037","10.66","0.002","8.712","0.002","17.624","0.003","90","","90.77","0.018","90","","1636.6","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","remacemide hydrochloride salt","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide hydrochloride","","- C17 H21 Cl N2 O -","- C17 H21 Cl N2 O -","- C68 H84 Cl4 N8 O4 -","4","2","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.0594","0.0344","","","0.084","0.0915","","","","","","1.021","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505126","29.2257","0.0019","6.6092","0.0004","29.855","0.0019","90","","108.838","0.001","90","","5457.9","0.6","293","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-nitroaniline (S)-10-camphorsulfonic acid. 0.5 water","","- C96 H138 N12 O39 S6 -","- C96 H138 N12 O39 S6 -","- C192 H276 N24 O78 S12 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Remote Functionalized Nonlinear Optical Chromophore: Optimal Assembly in Crystals for Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1831","","10.1021/cg050066b","","","0.71073","MoKα","","0.0763","0.0507","","","0.1132","0.1257","","","","","","1.007","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505127","8.3786","0.0012","7.5384","0.0014","16.4319","0.0019","90","","101.385","0.01","90","","1017.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-aminoethyl)-4-nitroaniline (S)-10-camphorsulfonic acid","","- C18 H27 N3 O6 S -","- C18 H27 N3 O6 S -","- C36 H54 N6 O12 S2 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Remote Functionalized Nonlinear Optical Chromophore: Optimal Assembly in Crystals for Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1831","","10.1021/cg050066b","","","0.71073","MoKα","","0.0792","0.0487","","","0.1132","0.1431","","","","","","1.12","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505148","13.703","0.003","6.6574","0.0014","25.878","0.005","90","","93.116","0.004","90","","2357.3","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1607","0.0809","","","0.167","0.2072","","","","","","0.97","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505149","8.8813","0.0008","12.9697","0.0011","10.3687","0.0009","90","","109.938","0.001","90","","1122.76","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-adamantan-1-ylacetyl)-N-((R)-1-phenylethyl)benzamide","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C54 H62 N2 O4 -","2","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0472","0.0446","","","0.1102","0.1121","","","","","","1.048","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505150","9.4834","0.0007","11.4733","0.0008","10.5049","0.0007","90","","101.892","0.001","90","","1118.46","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-(2-adamantan-1-ylacetyl)-N-(1-phenylpropyl) benzamide","","- C28 H33 N O2 -","- C28 H33 N O2 -","- C56 H66 N2 O4 -","2","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0521","0.0416","","","0.0899","0.0951","","","","","","1.042","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505151","19.561","0.005","10.652","0.003","9.899","0.003","90","","99.531","0.005","90","","2034.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(adamantyl-1-yl-acetyl)-N-(1,2-dimethylpropyl) benzamide","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.2401","0.0734","","","0.1048","0.1476","","","","","","0.915","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505163","9.2636","0.0009","9.79","0.0009","10.7319","0.001","90","","115.025","0.001","90","","881.91","0.14","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","N,N'-bis(benzoyl)-(1R,2R)-diaminocyclohexane","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Anthony, S. Philip; Basavaiah, K.; Radhakrishnan, T. P.","Chiral Vicinal Bis(amide) Molecules: Polar/Helical Assemblies in Crystals and Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1663","","10.1021/cg0501231","","","0.71073","MoKα","","0.0541","0.0407","","","0.0801","0.0847","","","","","","0.928","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505176","9.8187","0.0006","16.4878","0.0007","11.0874","0.0007","90","","107.278","0.002","90","","1713.93","0.17","183.2","","183.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H37 Cl3 Mo O2 P2 -","- C35 H37 Cl3 Mo O2 P2 -","- C70 H74 Cl6 Mo2 O4 P4 -","2","1","","Faller, J. W.; Sarantopoulos, Nikos","Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†","Crystal Growth & Design","2005","5","6","2356","","10.1021/cg050152b","","","0.7107","MoKα","","0.072","0.044","","0.067","","0.049","","","1.312","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505251","8.26","0.003","17.21","0.005","8.341","0.004","90","","105.36","0.04","90","","1143.4","0.8","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","ethoxynitrospiropyran 1b","3',3'-dimethyl-6-Ethoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran-2,2'-indoline","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.046","","","","0.06","","","","","","","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505270","7.3546","0.0003","6.0207","0.0002","14.7507","0.0005","90","","90.568","0.002","90","","653.13","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 molecular complex of benzamide and pentafluorobenzamide","1:1 molecular complex of benzamide and pentafluorobenzamide","","- C14 H9 F5 N2 O2 -","- C14 H9 F5 N2 O2 -","- C28 H18 F10 N4 O4 -","2","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0604","0.0412","","","0.0881","0.0987","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505290","8.2681","0.0008","5.257","0.0003","15.7174","0.0009","90","","99.097","0.008","90","","674.57","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.087","0.0465","","","0.0987","0.1158","","","","","","1.011","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505294","9.4413","0.0009","5.9721","0.0007","23.394","0.003","90","","93.67","0.009","90","","1316.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine/(S)-N-(4-Nitrobenzoyl)-a- methylbenzylamine","","- C31 H31 N3 O4 -","- C31 H31 N3 O4 -","- C62 H62 N6 O8 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0823","0.0467","","","0.095","0.1222","","","","","","1.038","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505313","5.628","0.0001","10.236","0.0002","13.268","0.0003","90","","91.112","0.0009","90","","764.2","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0468","0.0395","","","0.0982","0.1035","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505329","12.77","0.001","9.931","0.001","15.56","0.001","90","0.01","107.95","0.01","90","0.01","1877.3","0.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","Piperidine anhydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride","","- C18 H18 Cl F2 N3 O4 -","- C18 H18 Cl F2 N3 O4 -","- C72 H72 Cl4 F8 N12 O16 -","4","2","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.07","0.036","","0.106","0.046","","","","1.817","1.069","1.069","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505433","11.0032","0.0004","7.6246","0.0003","16.1711","0.0004","90","","91.969","0.001","90","","1355.87","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C48 H72 Cu4 N4 O18 -","2","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0548","0.04","","","0.069","0.0741","","","","","","1.017","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505434","12.8243","0.0001","18.216","0.0002","14.2213","0.0002","90","","115.595","0.001","90","","2996.19","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.5 H36 Cu2 N2 O7.5 -","- C25.5 H36 Cu2 N2 O7.5 -","- C102 H144 Cu8 N8 O30 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0523","0.0482","","","0.134","0.1383","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505435","12.8761","0.0002","18.0335","0.0003","14.2517","0.0002","90","","115.237","0.001","90","","2993.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H84 Cu4 N4 O16 -","- C28 H42 Cu2 N2 O8 -","- C112 H168 Cu8 N8 O32 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0666","0.0497","","","0.1211","0.1307","","","","","","1.034","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505481","5.204","0.0011","9.634","0.002","9.777","0.002","90","","91.737","0.004","90","","489.95","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Mn O6 -","- C9 H8 Mn O6 -","- C18 H16 Mn2 O12 -","2","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0183","0.0179","","","0.0439","0.0441","","","","","","1.131","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505518","8.6849","0.0006","5.6723","0.0004","12.7991","0.0009","90","","105.937","0.001","90","","606.29","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N S2 -","- C12 H17 N S2 -","- C24 H34 N2 S4 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0422","0.0419","","","0.1109","0.1111","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505529","15.274","0.012","10.178","0.008","20.961","0.016","90","","110.251","0.007","90","","3057","4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H46 O22 -","- C23 H39 O22 -","- C92 H156 O88 -","4","2","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505642","14.7555","0.0017","5.2827","0.0006","18.856","0.002","90","","111.445","0.002","90","","1368","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.0613","0.0529","","","0.1209","0.1243","","","","","","1.493","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505645","5.0785","0.0004","6.1923","0.0005","5.3869","0.0005","90","","113.346","0.003","90","","155.54","0.02","150","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Ferrari, Elena S.; Davey, Roger J.; Cross, Wendy I.; Gillon, Amy L.; Towler, Christopher S.","Crystallization in Polymorphic Systems: The Solution-Mediated Transformation of β to α Glycine","Crystal Growth & Design","2003","3","1","53","","10.1021/cg025561b","","x-ray","0.71073","MoKα","","0.0469","0.0409","","","0.1001","0.1028","","","","","","1.015","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505646","10.076","0.002","11.782","0.001","10.599","0.002","90","","114.99","0.01","90","","1140.5","0.3","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","2","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.032","","","","","","3.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505673","8.1274","0.0002","15.7754","0.0006","14.0542","0.0005","90","","103.267","0.002","90","","1753.84","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H27 Ag F6 N3 O5 P -","- C36 H27 Ag F6 N3 O5 P -","- C72 H54 Ag2 F12 N6 O10 P2 -","2","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.1072","0.07","","","0.1703","0.1988","","","","","","1.059","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505739","11.042","0.004","6.121","0.002","13.549","0.005","90","","104.805","0.007","90","","885.3","0.5","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,S)-Cyclo-[phenylalanine-(2-amino-7-cyano -4-methoxyindan-2-carboxylic acid)","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0714","0.0471","","","0.0951","0.1041","","","","","","0.944","","","","has coordinates","192776","2020-10-21","18:00:00",""
"4505740","10.9128","0.0012","6.0767","0.0007","13.7533","0.0015","90","","94.08","0.002","90","","909.72","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-Cyclo-[phenylalanine-(2-amino-7-cyano -4-methoxyindan-2-carboxylic acid)","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.087","0.0478","","","0.0985","0.1124","","","","","","0.934","","","","has coordinates","192776","2020-10-21","18:00:00",""
"4505840","8.779","0.0008","17.6991","0.0018","9.4652","0.0009","90","","108.391","0.008","90","","1395.6","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine/(S)-N-(2-Bromobenzoyl)-?-methylbenzylamine, 3","","- C30 H28 Br Cl N2 O2 -","- C30 H28 Br Cl N2 O2 -","- C60 H56 Br2 Cl2 N4 O4 -","2","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.0937","0.0598","","","0.138","0.1533","","","","","","1.07","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505870","15.1324","0.0002","10.2258","0.0001","8.42153","0.00008","90","","89.997","0.007","90","","1303.16","0.02","297","","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Al4 H2 K5.8652 O26 Si8 -","- Al4 H2 K5.869 O26 Si8 -","- Al8 H4 K11.738 O52 Si16 -","2","1","","Takako, Nagase; Takuji, Ikeda; Chie, Abe; Yasuhisa, Hasegawa; Yoshimichi, Kiyozumi; Takaaki, Hanaoka","Solvothermal Synthesis of −LIT-type Zeolite","Crystal Growth & Design","2012","12","4","1752","","10.1021/cg201138f","powder diffraction","","1.54059","CuKα~1~","","0.01157","","","","","","0.01157","0.0177","1.2982","","","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505902","7.2507","0.0017","6.0916","0.0015","22.013","0.005","90","","92.607","0.003","90","","971.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Nishiguchi, Noriaki; Kinuta, Takafumi; Sato, Tomohiro; Nakano, Yoko; Harada, Takunori; Tajima, Nobuo; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Novel Means of Controlling the Solid-State Circular Dichroism Property in a Supramolecular Organic Fluorophore Comprising 4-[2-(Methylphenyl)ethynyl]benzoic Acid by Varying the Position of the Methyl Substituent","Crystal Growth & Design","2012","12","4","1859","","10.1021/cg201496j","","","0.71075","MoKα","","0.0413","0.0391","","","0.1064","0.108","","","","","","1.103","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505956","18.4785","0.0009","8.6316","0.0004","20.99","0.001","90","","105.892","0.002","90","","3219.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-iodoacetatylamphotercin B","","","- C61 H100 I N O22 -","- C61 H100 I N O22 -","- C122 H200 I2 N2 O44 -","2","1","","Jarzembska, Katarzyna N.; Kamiński, Daniel; Hoser, Anna A.; Malińska, Maura; Senczyna, Bogusław; Woźniak, Krzysztof; Gagoś, Mariusz","Controlled Crystallization, Structure, and Molecular Properties of Iodoacetylamphotericin B","Crystal Growth & Design","2012","12","5","2336","","10.1021/cg2017227","","","0.71073","MoKα","","0.0707","0.0616","","","0.1771","0.1857","","","","","","1.047","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4506112","9.8454","0.0017","32.64","0.006","11.319","0.002","90","","111.469","0.004","90","","3385","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31.75 H31 Fe N3 O16.75 -","- C31.75 H28 Fe N3 O16.75 -","- C127 H112 Fe4 N12 O67 -","4","2","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.1862","0.0801","","","0.1704","0.2219","","","","","","0.971","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506149","6.7367","0.0003","11.1967","0.0004","6.7849","0.0003","90","","109.688","0.005","90","","481.86","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H17 Br N2 -","- C8 H17 Br N2 -","- C16 H34 Br2 N4 -","2","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.0567","0.0316","","","0.0424","0.0443","","","","","","0.759","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506185","7.887","0.003","5.8359","0.0019","17.557","0.006","90","","93.745","0.004","90","","806.4","0.5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H10 F5 N O3 S -","- C18 H10 F5 N O3 S -","- C36 H20 F10 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0384","0.033","","","0.0756","0.0782","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506421","12.259","0.002","20.215","0.004","17.619","0.004","90","","97.105","0.004","90","","4332.7","1.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H62 Ag3 Mo12 N14 O45 P -","- C48 H56 Ag3 Mo12 N14 O45 P -","- C96 H112 Ag6 Mo24 N28 O90 P2 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1907","0.0899","","","0.1594","0.183","","","","","","1.082","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506422","12.1944","0.0008","20.2254","0.0013","17.5747","0.0011","90","","96.757","0.001","90","","4304.5","0.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H54 Ag3 N12 O46 P W12 -","- C42 H42 Ag3 N12 O46 P W12 -","- C84 H84 Ag6 N24 O92 P2 W24 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1045","0.0536","","","0.1076","0.1203","","","","","","1.035","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506456","17.056","0.002","5.8142","0.0007","18.163","0.002","90","","100.886","0.002","90","","1768.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2:4 complex of pyrogallol and isonicotinamide","","- C18 H18 N4 O5 -","- C18 H18 N4 O5 -","- C72 H72 N16 O20 -","4","2","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.106","0.0644","","","0.1192","0.1363","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506511","5.2406","0.0003","10.0477","0.0006","12.6006","0.0007","90","","95.678","0.004","90","","660.24","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Zhang, Si-Wei; Guzei, Ilia A.; de Villiers, Melgardt M.; Yu, Lian; Krzyzaniak, Joseph F.","Formation Enthalpies and Polymorphs of Nicotinamide‒R-Mandelic Acid Co-Crystals","Crystal Growth & Design","2012","12","8","4090","","10.1021/cg3005757","","","1.54178","CuKα","","0.0472","0.043","","","0.1138","0.1174","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506519","6.5115","0.0013","19.407","0.003","9.7353","0.0017","90","","97.436","0.011","90","","1219.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cu N6 O10 S -","- C18 H16 Cu N6 O10 S -","- C36 H32 Cu2 N12 O20 S2 -","2","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0698","0.0642","","","0.1551","0.1595","","","","","","1.022","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506559","5.859","0.0005","46.95","0.004","8.1829","0.0009","90","0.007","94.077","0.007","90","0.007","2245.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(EDT-TTF-I)(TCNQF4)","","","- C20 H5 F4 I N4 S6 -","- C20 H5 F4 I N4 S6 -","- C80 H20 F16 I4 N16 S24 -","4","2","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.053","0.0396","","","0.0849","0.0936","","","","","","1.007","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506582","11.7148","0.0005","6.9828","0.0003","13.444","0.0006","90","","114.935","0.001","90","","997.24","0.08","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 Si -","- C21 H27 N O3 Si -","- C42 H54 N2 O6 Si2 -","2","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0275","0.0254","","","0.0648","0.0664","","","","","","1.033","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506586","9.4259","0.0017","5.1093","0.001","12.799","0.002","90","","110.279","0.003","90","","578.19","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H8 Br N3 O3 -","- C11 H8 Br N3 O3 -","- C22 H16 Br2 N6 O6 -","2","1","","Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian","Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes","ACS Catalysis","2012","2","8","1535","","10.1021/cs300313j","","","0.71073","MoKα","","0.037","0.033","","","0.0785","0.0798","","","","","","1.045","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506634","11.8523","0.0011","5.7183","0.0005","12.3445","0.0012","90","","101.5","0.007","90","","819.85","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71073","MoKα","","0.0451","0.0374","","","0.0874","0.0921","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506714","10.0148","0.0018","14.78","0.003","11.601","0.002","90","","90.796","0.003","90","","1717","0.6","90","1","90","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","2-fluoro benzoyl carvacrol thiourea, FormIB","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C72 H76 F4 N8 O8 S4 -","4","2","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0717","0.0465","","","0.075","0.084","","","","","","0.993","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506722","12.46022","0.00013","8.87772","0.00008","12.73088","0.00012","90","","103.052","0.001","90","","1371.88","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C52 H64 N8 O32 -","4","2","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.54178","CuKα","","0.0368","0.0349","","","0.0927","0.0954","","","","","","1.039","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506731","14.0508","0.0007","7.8639","0.0004","15.0117","0.0009","90","","115.486","0.002","90","","1497.3","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","0.71073","MoKα","","0.0769","0.0482","","","0.1327","0.1568","","","","","","1.122","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506783","9.4628","0.0012","15.19","0.0019","10.0319","0.0012","90","","110.63","0.002","90","","1349.5","0.3","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Br2 Cd2 N4 O9 -","- C18 H21 Br2 Cd2 N4 O9 -","- C36 H42 Br4 Cd4 N8 O18 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0506","0.0485","","","0.1325","0.1344","","","","","","1.067","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506784","7.906","0.0007","10.7338","0.001","8.9647","0.0008","90","","110.528","0.001","90","","712.45","0.11","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C10 H13 Cd Cl N2 O5 -","- C10 H13 Cd Cl N2 O5 -","- C20 H26 Cd2 Cl2 N4 O10 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.019","0.0189","","","0.0501","0.0501","","","","","","1.021","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506785","7.9689","0.0012","10.7406","0.0015","8.9501","0.0013","90","","110.444","0.002","90","","717.8","0.18","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Br Cd N2 O5 -","- C10 H12 Br Cd N2 O5 -","- C20 H24 Br2 Cd2 N4 O10 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.063","0.0625","","","0.1446","0.145","","","","","","1.081","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506796","10.3375","0.0006","15.2574","0.0015","15.087","0.0015","90","","91.745","0.007","90","","2378.5","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Co2 N8 O18 -","- C42 H50 Co2 N8 O18 -","- C84 H100 Co4 N16 O36 -","2","1","","Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves","Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid","Crystal Growth & Design","2012","12","10","4955","","10.1021/cg300877r","","x-ray","0.71073","Mokα","","0.0711","0.0422","","","0.0868","0.0955","","","","","","1","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506860","8.886","0.0007","21.164","0.002","12.701","0.001","90","","103.424","0.006","90","","2323.3","0.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H76 Co2 N12 O23.25 -","- C24 H76 Co2 N12 O23.25 -","- C48 H152 Co4 N24 O46.5 -","2","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0447","0.0368","","","0.0913","0.0989","","","","","","1.052","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506883","10.8883","0.0003","29.2108","0.0007","11.3297","0.0004","90","","118.486","0.004","90","","3167.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H40 Mn2 N14 O S14 -","- C54 H40 Mn2 N14 O S14 -","- C108 H80 Mn4 N28 O2 S28 -","2","1","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.0639","0.0469","","","","0.1084","","","","","","0.991","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506887","10.3375","0.0006","15.2574","0.0015","15.087","0.0015","90","","91.745","0.007","90","","2378.5","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Co2 N8 O18 -","- C42 H50 Co2 N8 O18 -","- C84 H100 Co4 N16 O36 -","2","1","","Banerjee, Manish; Srinivasan, Nagendra Babu; Zhu, Huaizhi; Kim, Sun Ja; Xu, Ke; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; de los Arcos, Teresa; Bekermann, Daniela; Barreca, Davide; Fischer, Roland A.; Devi, Anjana","Fabrication of ZrO2and ZrN Films by Metalorganic Chemical Vapor Deposition Employing New Zr Precursors","Crystal Growth & Design","2012","12","10","5079","","10.1021/cg3010147","","x-ray","0.71073","Mokα","","0.0711","0.0422","","","0.0868","0.0955","","","","","","1","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506893","6.0664","0.0003","14.14","0.0005","12.0036","0.0005","90","","90.228","0.002","90","","1029.65","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-N-(4-fluorobenzylidene)aniline","","- C13 H9 F2 N -","- C13 H9 F2 N -","- C52 H36 F8 N4 -","4","2","","Kaur, Gurpreet; Panini, Piyush; Chopra, Deepak; Roy Choudhury, Angshuman","Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted IsomericN-Benzylideneanilines","Crystal Growth & Design","2012","12","10","5096","","10.1021/cg3010294","","","0.71073","MOKα","","0.0281","0.026","","","0.0655","0.0669","","","","","","1.079","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506894","11.9029","0.0003","7.65","0.0002","18.0677","0.0005","90","","97.23","0.002","90","","1632.11","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H55 N3 O3 -","- C33 H55 N3 O3 -","- C66 H110 N6 O6 -","2","1","","Hou, Xiaodong; Schober, Matthew; Chu, Qianli","A Chiral Nanosheet Connected by Amide Hydrogen Bonds","Crystal Growth & Design","2012","12","11","5159","","10.1021/cg301030f","","","0.71073","MoKα","","0.0839","0.0561","","","0.1366","0.1647","","","","","","1.091","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506921","12.2428","0.0008","67.775","0.005","12.2969","0.0008","90","","107.103","0.001","90","","9752.2","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C180 H253 Cd6 N18 O57.5 -","- C180 H228 Cd6 N18 O57.5 -","- C360 H456 Cd12 N36 O115 -","2","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.1077","0.0712","","","0.1495","0.1687","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506923","9.2562","0.0006","14.393","0.001","24.2543","0.0017","90","","90.878","0.001","90","","3230.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H78 N6 O18 Zn4 -","- C60 H78 N6 O18 Zn4 -","- C120 H156 N12 O36 Zn8 -","2","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0608","0.0514","","","0.1253","0.131","","","","","","1.08","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506947","8.4345","0.0007","18.6369","0.0015","11.8554","0.0009","90","","109.105","0.002","90","","1760.9","0.2","200","2","200","2","","","101.325","","","","Synthesis","5","P 1 21 1","P 2yb","4","Cyclic Thizole Peptide","Tricyclic Phenylalanine Thiazole Peptide","","- C37 H34 N3 O4 S3 -","- C37 H34 N6 O4 S3 -","- C74 H68 N12 O8 S6 -","2","1","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0324","0.03","","","0.0536","0.054","","","","","","1.87","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506961","10.2638","0.0013","8.961","0.0011","15.866","0.002","90","","98.206","0.002","90","","1444.3","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0415","0.0369","","","0.0873","0.0909","","","","","","1.033","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506962","10.9861","0.0008","9.1163","0.0007","14.2512","0.0011","90","","100.187","0.001","90","","1404.79","0.18","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H38 N2 O2 -","- C33 H38 N2 O2 -","- C66 H76 N4 O4 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0386","0.033","","","0.068","0.0708","","","","","","1.036","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506965","10.383","0.0009","8.9794","0.0008","30.831","0.003","90","","99.111","0.001","90","","2838.2","0.4","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O3 -","- C30 H42 N2 O3 -","- C120 H168 N8 O12 -","4","2","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0477","0.0413","","","0.109","0.1135","","","","","","1.273","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506966","10.0377","0.0007","9.2231","0.0006","15.3376","0.001","90","","101.249","0.001","90","","1392.66","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O3 -","- C30 H42 N2 O3 -","- C60 H84 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0354","0.0331","","","0.0768","0.0783","","","","","","1.003","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506968","9.5874","0.0007","9.164","0.0007","17.6153","0.0013","90","","93.37","0.001","90","","1545","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H44 N2 O3 -","- C35 H44 N2 O3 -","- C70 H88 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0366","0.0329","","","0.0702","0.0722","","","","","","1.031","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506970","9.6097","0.0002","9.3101","0.0002","17.5278","0.0003","90","","93.71","0.001","90","","1564.88","0.05","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H43 Cl N2 O3 -","- C35 H43 Cl N2 O3 -","- C70 H86 Cl2 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","1.54178","CuKα","","0.0447","0.0443","","","0.1211","0.1217","","","","","","1.059","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506995","8.708","0.0017","19.666","0.004","11.532","0.002","90","","96.7","0.03","90","","1961.4","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H41 Cl2 N O17 S -","- C38 H41 Cl2 N O17 S -","- C76 H82 Cl4 N2 O34 S2 -","2","1","","Aitipamula, Srinivasulu; Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystal Hydrate of an Antifungal Drug, Griseofulvin, with Promising Physicochemical Properties","Crystal Growth & Design","2012","12","12","5858","","10.1021/cg3012124","","","0.71073","MoKα","","0.0483","0.0464","","","0.1216","0.1275","","","","","","1.124","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507075","14.66805","0.00034","5.91244","0.00011","14.22565","0.0003","90","","112.881","0.0013","90","","1136.63","0.04","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N3 O5 -","- C21 H33 N3 O6 -","- C42 H66 N6 O12 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide","Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis","Crystal Growth & Design","2012","12","12","6165","","10.1021/cg3013377","powder diffraction","x-ray","1.20025","","","","","","","","","0.10815","","2.27","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507076","15.17734","0.00029","5.94528","0.00008","14.22942","0.00026","90","","120.622","0.0009","90","","1104.92","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N3 O5 -","- C21 H31 N3 O5 -","- C42 H62 N6 O10 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide","Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis","Crystal Growth & Design","2012","12","12","6165","","10.1021/cg3013377","powder diffraction","x-ray","1.1977","","","","","","","","","0.04546","","6.22","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507100","7.91","0.0016","5.274","0.0011","8.451","0.0017","90","","108.78","0.03","90","","333.78","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-hydroxybenzamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0696","0.068","","","0.193","0.1956","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507141","7.7447","0.0002","12.5622","0.0004","12.1814","0.0004","90","","94.917","0.003","90","","1180.77","0.06","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","C6H6Ru(Me)2,6-MeNacnac","","","- C28 H34 N2 Ru -","- C28 H34 N2 Ru -","- C56 H68 N4 Ru2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.7107","MoKα","","0.0192","0.0187","","","0.0466","0.047","","","","","","1.067","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507180","8.714","0.002","31.611","0.005","12.487","0.003","90","","92.04","0.03","90","","3437.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate methanol 3-solvate","","- C69 H82 N10 O25 -","- C69 H82 N10 O25 -","- C138 H164 N20 O50 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.071","0.0477","","","0.0975","0.108","","","","","","0.991","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507181","8.49","0.002","12.588","0.003","32.933","0.005","90","","94.56","0.03","90","","3508.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate 5.75-hydrate","","- C66 H81.5 N10 O27.75 -","- C65.994 H79.437 N9.999 O27.715 -","- C131.988 H158.874 N19.998 O55.43 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.1288","0.0674","","","0.1472","0.1682","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507182","8.713","0.002","12.556","0.003","32.959","0.006","90","","92.74","0.03","90","","3601.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(3,5-dinitrobenzoyl)-D-alaninate methanol 0.83-solvate 2.17-hydrate","","","- C33.84 H42.67 N5 O14 -","- C33.836 H42.672 N5 O14 -","- C135.344 H170.688 N20 O56 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.2364","0.0693","","","0.1295","0.1707","","","","","","0.855","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507261","10.289","0.002","27.383","0.006","15.356","0.003","90","","91.952","0.004","90","","4323.9","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H62 Ag6 Br6 Cl2 N12 -","- C91 H62 Ag6 Br6 Cl2 N12 -","- C182 H124 Ag12 Br12 Cl4 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1432","0.0595","","","0.0991","0.1471","","","","","","0.874","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507452","12.1559","0.0009","11.6994","0.0008","22.3367","0.0017","90","","101.651","0.001","90","","3111.2","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0311","0.0287","","","0.07","0.0801","","","","","","1.046","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507453","12.1528","0.0008","11.6995","0.0008","22.334","0.0014","90","","101.584","0.001","90","","3110.8","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0335","0.0313","","","0.0799","0.087","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507462","25.8154","0.0012","3.888","0.0006","6.1323","0.0006","90","","88.416","0.004","90","","615.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","isoniazid - benzoic acid cocrystal","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1125","0.0623","","","0.1133","0.1329","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507482","6.8006","0.0004","22.1731","0.0009","7.3916","0.0005","90","","117.031","0.007","90","","992.83","0.12","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0348","0.0315","","","0.0735","0.0756","","","","","","1.043","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507484","12.3596","0.0006","6.9442","0.0003","13.9837","0.0008","90","","111","0.006","90","","1120.47","0.11","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O3 -","- C25 H36 O3 -","- C50 H72 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0729","0.0578","","","0.14","0.1516","","","","","","1.048","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507648","9.4016","0.0002","30.7877","0.0008","11.8342","0.0003","90","","90.9904","0.0018","90","","3424.94","0.14","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H48 N8 O13 Sn -","- C58 H48 N8 O13 Sn -","- C116 H96 N16 O26 Sn2 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.1192","0.0704","","","0.1483","0.1651","","","","","","0.937","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507706","7.1428","0.0003","8.4149","0.0003","10.1973","0.0004","90","","95.633","0.004","90","","609.96","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","1.5418","CuKα","","0.0526","0.0506","","","0.1438","0.1471","","","","","","1.075","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507749","16.6256","0.0016","12.5308","0.0013","21.002","0.002","90","","109.391","0.006","90","","4127.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup Form 2","","","- C15 H18 N2 O -","- C15 H19 N2 O -","- C180 H228 N24 O12 -","12","6","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.1243","0.0678","","","0.1544","0.1877","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507769","5.2612","0.0002","8.0356","0.0003","26.8522","0.001","90","","90.009","0.002","90","","1135.23","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O4 -","- C10 H11 F3 O4 -","- C40 H44 F12 O16 -","4","2","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0521","0.0518","","","0.1551","0.1554","","","","","","1.115","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507806","9.5896","0.0004","9.0386","0.0003","10.1964","0.0005","90","","110.845","0.005","90","","825.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium cocrystal of fumaric acid","S-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0411","0.0357","","","0.0904","0.0931","","","","","","0.933","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507807","9.583","0.001","9.037","0.001","10.179","0.001","90","","110.837","0.009","90","","823.86","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinium cocrystal of fumaric acid","R-pyrrolidinium-2-carboxylate(2E)-but-2-enedioate (1:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0611","0.0492","","","0.1229","0.1333","","","","","","1.053","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507809","9.8307","0.0005","7.1796","0.0003","12.8464","0.0006","90","","99.217","0.005","90","","895","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinamidium fumarate salt","2(R)-carbamoylpyrrolidinium-(2E)-3-carboxyprop-2-enoate hydrate (1:1:1)","","- C14 H26 N4 O7 -","- C14 H26 N4 O7 -","- C28 H52 N8 O14 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0453","0.0404","","","0.0998","0.103","","","","","","1.1","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507872","6.639","0.005","18.167","0.013","9.773","0.007","90","","96.891","0.008","90","","1170.2","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cd N6 O4 -","- C22 H26 Cd N6 O4 -","- C44 H52 Cd2 N12 O8 -","2","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0495","0.048","","","0.1162","0.1176","","","","","","1.094","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507887","4.7301","0.0001","9.5656","0.0002","14.3224","0.0004","90","","98.6768","0.001","90","","640.62","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0458","0.0384","","","0.0953","0.0995","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507888","4.7396","0.0001","9.5921","0.0002","14.3534","0.0004","90","","98.4903","0.0011","90","","645.39","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0542","0.0407","","","0.0988","0.1056","","","","","","1.061","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507889","4.7492","0.0001","9.621","0.0003","14.3919","0.0005","90","","98.2103","0.0011","90","","650.86","0.03","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0511","0.0405","","","0.1004","0.1061","","","","","","1.068","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507890","4.7701","0.0002","9.6744","0.0004","14.4676","0.0007","90","","97.6626","0.0014","90","","661.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0586","0.0414","","","0.0988","0.1082","","","","","","1.046","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507927","7.4795","0.0006","11.4662","0.0009","23.901","0.002","90","","98.773","0.002","90","","2025.8","0.3","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cu N3 O4 -","- C22 H23 Cu N3 O4 -","- C88 H92 Cu4 N12 O16 -","4","2","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.149","0.0695","","","0.1054","0.1356","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507928","10.0633","0.0005","13.4316","0.0007","15.0358","0.0007","90","","94.9244","0.0009","90","","2024.83","0.17","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 N6 O8 Zn2 -","- C44 H46 N6 O8 Zn2 -","- C88 H92 N12 O16 Zn4 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0612","0.0445","","","0.0968","0.1053","","","","","","1.032","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507929","10.2397","0.0005","13.565","0.0007","15.0505","0.0008","90","","93.384","0.001","90","","2086.89","0.19","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 Cd2 N6 O8 -","- C44 H46 Cd2 N6 O8 -","- C88 H92 Cd4 N12 O16 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0505","0.0352","","","0.0686","0.0757","","","","","","1.01","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507940","18.024","0.006","4.9974","0.0017","19.569","0.007","90","","104.622","0.005","90","","1705.6","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0897","0.0436","","","0.0988","0.1099","","","","","","1.021","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507941","17.44","0.005","5.0094","0.0013","19.515","0.005","90","","105.986","0.005","90","","1639","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0788","0.0478","","","0.1047","0.1197","","","","","","1.025","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507985","13.4083","0.0009","14.0861","0.001","14.0815","0.0008","90","","116.311","0.005","90","","2384.1","0.3","260","2","260","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H23 Ag B F4 N5 O0.5 -","- C18 H23 Ag B F4 N5 O0.5 -","- C72 H92 Ag4 B4 F16 N20 O2 -","4","2","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.141","0.0876","","","0.2084","0.2508","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508063","6.1278","0.0004","21.8261","0.0013","23.286","0.0013","90","","93.091","0.001","90","","3109.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C128 H176 N8 O24 -","8","4","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0707","0.0526","","","0.1377","0.1516","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508112","14.0634","0.0012","11.496","0.001","14.0371","0.0012","90","","101.661","0.0014","90","","2222.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C8H14[OSSO]TaCl3","C8H14[OSSO]TaCl3","","- C44 H64 Cl3 O2 S2 Ta -","- C44 H64 Cl3 O2 S2 Ta -","- C88 H128 Cl6 O4 S4 Ta2 -","2","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0234","0.0232","","","0.0587","0.0588","","","","","","1.059","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508113","5.6792","0.0003","8.3977","0.0004","16.9273","0.0007","90","","90.392","0.002","90","","807.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Majumder, Joydeb; Das, Mahua Rani; Deb, Jolly; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","β-Amino Acid and Amino-Alcohol Conjugation of a Nonsteroidal Anti-Inflammatory Drug (NSAID) Imparts Hydrogelation Displaying Remarkable Biostability, Biocompatibility, and Anti-Inflammatory Properties.","Langmuir : the ACS journal of surfaces and colloids","2013","29","32","10254","10263","10.1021/la401929v","","","0.71073","MoKα","","0.0432","0.0322","","","0.0767","0.0976","","","","","","0.704","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508154","5.088","0.0002","11.8516","0.0004","14.0429","0.0005","90","","95.921","0.002","90","","842.28","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0414","0.0346","","","0.068","0.0755","","","","","","1.045","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508193","11.602","0.003","34.227","0.008","11.908","0.003","90","","106.473","0.002","90","","4535","2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","JMO-02","","","- C79 H129 F6 N13 O23 -","- C79 H129 F6 N13 O23 -","- C158 H258 F12 N26 O46 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0557","0.0496","","","0.1345","0.1401","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508197","13.472","0.001","17.38","0.005","35.196","0.003","90","","91.631","0.005","90","","8238","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","JMO-09","","","- C132 H244 Cl5 N24 O33 -","- C132 H244 Cl5 N24 O33 -","- C264 H488 Cl10 N48 O66 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0742","0.0698","","","0.1998","0.2059","","","","","","1.015","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508235","9.9183","0.0016","22.93","0.004","15.082","0.003","90","","103.957","0.003","90","","3328.8","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H71 In2 N7 O21 -","- C61 H67 In2 N7 O21 -","- C122 H134 In4 N14 O42 -","2","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.136","0.0722","","","0.1734","0.2104","","","","","","1.009","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508310","9.227","0.005","11.244","0.005","9.362","0.005","90","","116.077","0.005","90","","872.4","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0573","0.0384","","0.0866","0.0774","0.0733","","","","","","0.8758","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508311","9.225","0.0015","11.2463","0.0018","9.3681","0.0015","90","","116.074","0.002","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0473","0.0346","","0.0952","0.0802","0.0737","","","","","","0.91","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508361","8.6381","0.0008","10.9354","0.001","12.3989","0.0012","90","","100.365","0.002","90","","1152.1","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N4 O2 -","- C25 H30 N4 O2 -","- C50 H60 N8 O4 -","2","1","","Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming","One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via A Multicomponent [4 + 1] Cycloaddition Reaction","ACS Combinatorial Science","2013","15","10","551","","10.1021/co400075z","","","0.71073","MoKα","","0.111","0.0541","","","0.1087","0.1313","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508384","8.9607","0.001","6.8485","0.0007","12.9554","0.0016","90","","105.688","0.004","90","","765.42","0.15","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C30 H32 N8 O12 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.0449","0.0366","","","0.089","0.1056","","","","","","1.114","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508386","8.004","0.004","5.427","0.004","13.896","0.008","90","","93.791","0.015","90","","602.3","0.6","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.1412","0.1187","","","0.2867","0.3096","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508401","9.1551","0.001","10.9184","0.0013","11.0126","0.0012","90","","101.042","0.011","90","","1080.4","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C50 H60 Cl2 N2 O6 -","2","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.54184","CuKα","","0.0895","0.0539","","0.16","0.1051","0.16","","","","","","0.9983","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508451","7.2123","0.0005","24.0547","0.0018","11.7186","0.0008","90","","90.042","0.002","90","","2033.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Co3 N18 O7 W2 -","- C30 H25.8 Co3 N18 O6.7 W2 -","- C60 H51.6 Co6 N36 O13.4 W4 -","2","1","","Komori-Orisaku, Keiko; Imoto, Kenta; Koide, Yoshihiro; Ohkoshi, Shin-ichi","Mixed-Valence Cobalt(II/III)‒Octacyanidotungstate(IV/V) Ferromagnet","Crystal Growth & Design","2013","13","12","5267","","10.1021/cg401011d","","","0.75","synchrotron","","0.1393","0.0932","","","0.2255","0.2858","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508536","12.898","0.002","13.128","0.002","28.309","0.005","90","","97.773","0.002","90","","4749.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,4-difluorobenzene","","- C54 H66 F2 N2 O6 -","- C54 H66 F2 N2 O6 -","- C216 H264 F8 N8 O24 -","4","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.1158","0.0665","","","0.1609","0.1889","","","","","","1.026","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508537","13.0753","0.0008","12.7032","0.0008","13.5212","0.0008","90","","103.593","0.001","90","","2182.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 4","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,4-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C104 H116 F4 N4 O8 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.071","0.0479","","","0.0871","0.0964","","","","","","1.07","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508540","11.866","0.005","7.956","0.003","19.122","0.008","90","","101.329","0.005","90","","1770.1","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 6","","","- C42 H54 O6 -","- C42 H54 O6 -","- C84 H108 O12 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0367","0.0312","","","0.0779","0.081","","","","","","1.094","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508556","19.5995","0.0009","28.7424","0.0012","20.4414","0.0009","90","","91.627","0.003","90","","11510.7","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","6","","","- C231 H251 Cd4 N13 O37 -","- C231 H251 Cd4 N13 O37 -","- C462 H502 Cd8 N26 O74 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1393","0.113","","","0.2668","0.2787","","","","","","1.82","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508593","4.7867","0.0007","8.0049","0.0011","6.9093","0.001","90","","109.003","0.002","90","","250.32","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cr Li O7 P2 -","- Cr Li O7 P2 -","- Cr2 Li2 O14 P4 -","2","1","","Pachoud, Elise; Zhang, Weiguo; Tapp, Joshua; Liang, Kao-Chen; Lorenz, Bernd; Chu, Paul C. W.; Halasyamani, P. Shiv","Top-Seeded Single-Crystal Growth, Structure, and Physical Properties of Polar LiCrP2O7","Crystal Growth & Design","2013","13","12","5473","","10.1021/cg401442r","","","0.71073","MoKα","","0.0178","0.0177","","","0.0498","0.0499","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508611","11.9047","0.0004","12.2331","0.0004","12.3943","0.0004","90","","108.556","0.001","90","","1711.16","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H50 O10 -","- C36 H50 O10 -","- C72 H100 O20 -","2","1","","Motiwala, Hashim F.; Bazzill, Joseph; Samadi, Abbas; Zhang, Huaping; Timmermann, Barbara N.; Cohen, Mark S.; Aub Jeffrey","Synthesis and Cytotoxicity of Semisynthetic Withalongolide A Analogues","ACS Medicinal Chemistry Letters","2013","4","11","1069","","10.1021/ml400267q","","","1.54178","CuKα","","0.0431","0.0431","","","0.1169","0.1169","","","","","","1.049","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508664","6.3407","0.0007","25.017","0.003","12.4354","0.0013","90","","102.64","0.002","90","","1924.8","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Compound_10","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Baures, Paul W.; Caldwell, Adam W.; Cashman, Chris R.; Masse, Marie T.; Van Arnam, Ethan B.; Conry, Rebecca R.","The Influence by Substituents on the Intermolecular Hydrogen-Bonding Interactions in Imidazole-4,5-dicarboxylic Acid Derivatives","Crystal Growth & Design","2006","6","9","2047","","10.1021/cg060057i","","","0.71073","MoKα","","0.0912","0.0582","","","0.1292","0.142","","","","","","0.905","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508718","7.9689","0.0005","13.1908","0.0008","11.6096","0.0007","90","","104.686","0.001","90","","1180.49","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-amino-2-bromopyridine","3-amino-2-bromopyridine","","- C5 H5 Br N2 -","- C5 H5 Br N2 -","- C40 H40 Br8 N16 -","8","4","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0584","0.0588","","","","","","1.036","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508722","14.115","0.003","11.592","0.003","17.743","0.004","90","","92.529","0.004","90","","2900.3","1.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C31 H32 O11 S -","- C31 H32 O11 S -","- C124 H128 O44 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0532","0.0484","","","0.123","0.1269","","","","","","1.024","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508727","15.937","0.004","11.054","0.003","22.206","0.006","90","","108.432","0.004","90","","3711.3","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36.5 H43 O13.75 S -","- C36.5 H43 O13.75 S -","- C146 H172 O55 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.1149","0.0911","","","0.247","0.2697","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508730","15.966","0.003","11.068","0.003","22.264","0.005","90","","108.676","0.004","90","","3727.1","1.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36 H42 O13.25 S -","- C36 H42 O13.25 S -","- C144 H168 O53 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0992","0.0704","","","0.1771","0.1975","","","","","","1.05","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508766","5.8674","0.0017","15.725","0.004","12.174","0.003","90","","102.399","0.004","90","","1097","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 F5 N3 O5 -","- C19 H26 F5 N3 O5 -","- C38 H52 F10 N6 O10 -","2","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0823","0.0545","","","0.115","0.1287","","","","","","1.062","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508783","10.2222","0.0015","11.1071","0.0016","13.4859","0.0019","90","","92.113","0.002","90","","1530.1","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0625","0.0435","","","0.107","0.1269","","","","","","1.019","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508795","10.941","0.002","21.255","0.004","13.487","0.003","90","","100.21","0.03","90","","3086.7","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 Cu4 Mo12 N8 O40 P -","- C40 H32 Cu4 Mo12 N8 O40 P -","- C80 H64 Cu8 Mo24 N16 O80 P2 -","2","1","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0299","0.0283","","","0.0845","0.0856","","","","","","0.735","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508804","9.24","0.005","9.061","0.005","11.6","0.006","90","","91.023","0.006","90","","971","0.9","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br Cu N4 O5 -","- C18 H15 Br Cu N4 O5 -","- C36 H30 Br2 Cu2 N8 O10 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.044","","","","0.142","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508806","4.3901","0.0003","7.1531","0.0005","11.0189","0.0008","90","","92.88","0.003","90","","345.59","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-fluoro-2-oxindole","","","- C8 H6 F N O -","- C8 H6 F N O -","- C16 H12 F2 N2 O2 -","2","1","","Day, Graeme M.; Motherwell, W. D. Sam","An Experiment in Crystal Structure Prediction by Popular Vote","Crystal Growth & Design","2006","6","9","1985","","10.1021/cg060313r","","","0.71073","MoKα","","0.0353","0.0329","","","0.0822","0.0842","","","","","","1.085","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508823","15.7677","0.0007","10.2895","0.0005","17.2299","0.0008","90","","101.886","0.002","90","","2735.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","HY 3/159","","","- C13 H18 N O3 P -","- C13 H18 N O3 P -","- C104 H144 N8 O24 P8 -","8","4","","Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.","WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems","Crystal Growth & Design","2006","6","9","2109","","10.1021/cg0603265","","","0.71073","MoKα","","0.0597","0.0479","","","0.1028","0.1082","","","","","","1.03","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508892","5.0858","0.0005","9.5412","0.001","11.5677","0.0014","90","","93.875","0.004","90","","560.04","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C20 H22 F6 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.091","0.0533","","","0.1116","0.1243","","","","","","1.032","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508893","9.1588","0.0017","5.7511","0.0013","12.097","0.002","90","","103.858","0.015","90","","618.6","0.2","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Cl F2 O2 S -","- C10 H11 Cl0.971 F1.942 O2 S -","- C20 H22 Cl1.942 F3.884 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.083","0.0623","","","0.1957","0.2112","","","","","","1.062","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508894","12.215","0.002","6.1978","0.0012","17.611","0.004","90","","106.52","0.03","90","","1278.2","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Cl3 O2 S -","- C10 H11 Cl3 O2 S -","- C40 H44 Cl12 O8 S4 -","4","2","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0425","0.0319","","","0.0681","0.0713","","","","","","1.027","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508895","9.3954","0.0019","5.3324","0.0011","12.688","0.003","90","","105.36","0.03","90","","613","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C24 H36 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1295","0.0597","","","0.1008","0.1177","","","","","","1.002","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508897","4.6869","0.0009","10.458","0.002","10.937","0.002","90","","96.07","0.03","90","","533.08","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F2 O2 S -","- C10 H12 F2 O2 S -","- C20 H24 F4 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0785","0.0409","","","0.0715","0.0779","","","","","","1.003","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508898","6.1239","0.0012","9.3422","0.0019","10.132","0.002","90","","102.41","0.03","90","","566.1","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C20 H22 F6 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0626","0.0418","","","0.1022","0.1095","","","","","","1.033","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508929","8.4003","0.0011","10.9826","0.0011","11.3651","0.0013","90","","104.022","0.002","90","","1017.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N5 O6 Zn -","- C21 H19 N5 O6 Zn -","- C42 H38 N10 O12 Zn2 -","2","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0607","0.0461","","","0.1166","0.161","","","","","","1.064","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509017","7.127","0.003","7.181","0.003","15.042","0.007","90","","99.976","0.008","90","","758.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H5 Cl2 F4 Hg2 N O2 -","- C12 H5 Cl2 F4 Hg2 N O2 -","- C24 H10 Cl4 F8 Hg4 N2 O4 -","2","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.043","0.0392","","","0.0877","0.0898","","","","","","0.999","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509020","7.1236","0.0016","7.3554","0.0017","15.543","0.004","90","","101.201","0.003","90","","798.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H7 Cl2 F4 Hg2 N O2 -","- C13 H7 Cl2 F4 Hg2 N O2 -","- C26 H14 Cl4 F8 Hg4 N2 O4 -","2","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.0291","0.0261","","","0.0539","0.0551","","","","","","1.002","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509033","9.6784","0.0002","8.8112","0.0002","24.1616","0.0004","90","","93.381","0.002","90","","2056.87","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Ag2 N4 O9 -","- C42 H48 Ag2 N4 O9 -","- C84 H96 Ag4 N8 O18 -","2","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","1.54178","CuKα","","0.0271","0.0242","","","0.0572","0.0577","","","","","","1.002","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509034","9.6683","0.0002","8.8016","0.0002","24.1522","0.0006","90","","93.377","0.002","90","","2051.7","0.08","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Ag2 N4 O9 -","- C42 H48 Ag2 N4 O9 -","- C84 H96 Ag4 N8 O18 -","2","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","0.71073","MoKα","","0.0396","0.0267","","","0.046","0.0474","","","","","","0.895","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509065","11.5779","0.0012","7.3556","0.0007","13.7938","0.0014","90","","91.074","0.002","90","","1174.5","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N-(4-methylbenzylidene)-2-cyanoaniline","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","2","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0548","0.0421","","","0.0914","0.0961","","","","","","1.045","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509123","9.901","0.002","25.752","0.005","18.883","0.004","90","","97.9","0.03","90","","4768.9","1.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H110 Cu6 Mo2 N14 O2 S10 -","- C78 H110 Cu6 Mo2 N14 O2 S10 -","- C156 H220 Cu12 Mo4 N28 O4 S20 -","2","1","","Chen, Jin-Xiang; Tang, Xiao-Yan; Chen, Yang; Zhang, Wen-Hua; Li, Ling-Ling; Yuan, Rong-Xin; Zhang, Yong; Lang, Jian-Ping","Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes","Crystal Growth & Design","2009","9","3","1461","","10.1021/cg800896k","","","0.71073","MoKα","","0.0953","0.0927","","","0.1547","0.1673","","","","","","1.139","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509188","5.878","0.0006","8.4735","0.0012","15.5832","0.0016","90","","91.907","0.007","90","","775.73","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1119","0.0522","","","0.1285","0.1572","","","","","","0.955","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509223","12.5885","0.0006","13.1453","0.0006","14.482","0.0007","90","","105.745","0.002","90","","2306.56","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","carbamazepine:(+)-camphoric acid cocrystal (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide (+)-camphoric acid","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","2","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0275","0.0268","","","0.0707","0.0715","","","","","","1.06","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509232","10.5446","0.0008","12.735","0.001","6.5426","0.0005","90","","92.456","0.002","90","","877.77","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C36 H52 Cl4 Ti2 -","2","1","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","0.71073","Mo-Kα","","0.0311","0.0298","","","0.0816","0.0826","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509344","8.416","0.003","20.018","0.008","11.764","0.005","90","","99.213","0.008","90","","1956.3","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O6 S -","- C17 H28 N2 O6 S -","- C68 H112 N8 O24 S4 -","4","2","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.1403","0.0377","","","0.0641","0.0769","","","","","","0.696","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509385","14.2453","0.0003","8.0594","0.00019","19.2594","0.0004","90","","94.788","0.0015","90","","2203.43","0.08","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H74 N2 O11 -","- C49 H74 N2 O11 -","- C98 H148 N4 O22 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Aburaya, Kazuaki; Katsuta, Masanori; Tohnai, Norimitsu; Miyata, Mikiji","Structures of Brucinium Cholate: Bile Acid and Strychnine Derivatives Meet in the Crystals","Crystal Growth & Design","2009","9","3","1280","","10.1021/cg801336t","","","1.54187","CuKα","","","0.0586","","","","0.167","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509387","14.3988","0.0003","8.03443","0.00015","19.329","0.0004","90","","94.6951","0.0012","90","","2228.59","0.08","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H74 N2 O11 -","- C49 H74 N2 O11 -","- C98 H148 N4 O22 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Aburaya, Kazuaki; Katsuta, Masanori; Tohnai, Norimitsu; Miyata, Mikiji","Structures of Brucinium Cholate: Bile Acid and Strychnine Derivatives Meet in the Crystals","Crystal Growth & Design","2009","9","3","1280","","10.1021/cg801336t","","","1.54187","CuKα","","","0.0512","","","","0.1288","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509389","6.3349","0.0015","3.9263","0.001","19.79","0.005","90","","92.424","0.004","90","","491.8","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C22 H18 N6 O4 -","2","1","","Dureisseix, Valérie; Sanselme, Morgane; Robin, Yves; Coquerel, Gérard","Two Concomitant Polymorphs of 1,2-Naphthoquinone-2-semicarbazone","Crystal Growth & Design","2009","9","8","3438","","10.1021/cg801361m","","x-ray","0.71073","MoKα","","0.0394","0.0344","","","0.0959","0.0987","","","","","","1.065","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509554","12.636","0.002","20.577","0.004","22.364","0.004","90","","93.394","0.004","90","","5804.7","1.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H178 Mo12 N6 O40 Si -","- C80 H148 Mo12 N6 O40 Si -","- C160 H296 Mo24 N12 O80 Si2 -","2","1","","Nyman, May; Rodriguez, Mark A.; Anderson, Travis M.; Ingersoll, David","Two Structures Toward Understanding Evolution from Surfactant-Polyoxometalate Lamellae to Surfactant-Encapsulated Polyoxometalates","Crystal Growth & Design","2009","9","8","3590","","10.1021/cg9003356","","","0.71073","MoKα","","0.0939","0.0681","","","0.143","0.159","","","","","","1.042","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509587","14.062","0.001","27.3886","0.0019","16.7526","0.0012","90","","113.109","0.001","90","","5934.4","0.7","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C84 H60 Cl2 Cu4 N14 O64 P2 W18 -","- C84 H56 Cl2 Cu4 N14 O64 P2 W18 -","- C168 H112 Cl4 Cu8 N28 O128 P4 W36 -","2","1","","Zhang, Chun-Dan; Liu, Shu-Xia; Sun, Chun-Yan; Ma, Feng-Ji; Su, Zhong-Min","Assembly of Organic−Inorganic Hybrid Materials Based on Dawson-Type Polyoxometalate and Multinuclear Copper−Phen Complexes with Unique Magnetic Properties","Crystal Growth & Design","2009","9","8","3655","","10.1021/cg900391q","","","0.71073","MoKα","","0.0916","0.0603","","","0.1424","0.1618","","","","","","1.021","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509598","13.5406","0.0014","7.9202","0.0008","16.596","0.0019","90","","99.731","0.003","90","","1754.2","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 Cu3 N3 O15 -","- C30 H41 Cu3 N3 O15 -","- C60 H82 Cu6 N6 O30 -","2","1","","Nagarathinam, Mangayarkarasi; Saravanan, Kuppan; Leong, Wei Lee; Balaya, Palani; Vittal, Jagadese J.","Hollow Nanospheres and Flowers of CuS from Self-Assembled Cu(II) Coordination Polymer and Hydrogen-Bonded Complexes ofN-(2-Hydroxybenzyl)-l-serine","Crystal Growth & Design","2009","9","10","4461","","10.1021/cg9004938","","","0.71073","MoKα","","0.0442","0.0406","","","0.1105","0.1135","","","","","","1.028","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509645","7.3931","0.0002","26.6667","0.0008","11.7311","0.0003","90","","102.382","0.001","90","","2258.99","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 N8 O10 S2 -","- C42 H62 N8 O10 S2 -","- C84 H124 N16 O20 S4 -","2","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0491","0.0442","","","0.1102","0.1123","","","","","","1.105","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509655","7.4073","0.0005","26.7956","0.0017","12.3008","0.0007","90","","106.83","0.001","90","","2336.9","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H54 N10 O10 S2 -","- C42 H54 N10 O10 S2 -","- C84 H108 N20 O20 S4 -","2","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0605","0.0435","","","0.1013","0.1104","","","","","","1.017","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509696","14.323","0.002","11.679","0.003","19.029","0.003","90","","91.131","0.003","90","","3182.5","1.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H84 Cd4 N12 O20 -","- C54 H84 Cd4 N12 O20 -","- C108 H168 Cd8 N24 O40 -","2","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0703","0.0522","","","0.1167","0.1218","","","","","","1.024","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509728","13.063","0.002","22.324","0.004","13.129","0.002","90","","95.149","0.003","90","","3813.2","1.1","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75.78 H46.31 N7.46 O20.92 Zn2 -","- C75.748 H46.32 N7.458 O20.916 Zn2 -","- C151.496 H92.64 N14.916 O41.832 Zn4 -","2","1","","Nelson, Andrew P.; Parrish, Damon A.; Cambrea, Lee R.; Baldwin, Lawrence C.; Trivedi, Nirupam J.; Mulfort, Karen L.; Farha, Omar K.; Hupp, Joseph T.","Crystal to Crystal Guest Exchange in a Mixed Ligand Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4588","","10.1021/cg900735n","","","0.71073","MoKα","","0.0804","0.0749","","","0.213","0.2185","","","","","","1.038","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509729","12.972","0.004","22.296","0.007","12.988","0.004","90","","109.376","0.005","90","","3543.7","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.25 H25.25 Cl3.75 N4 O12 Zn2 -","- C49.25 H25.25 Cl3.75 N4 O12 Zn2 -","- C98.5 H50.5 Cl7.5 N8 O24 Zn4 -","2","1","","Nelson, Andrew P.; Parrish, Damon A.; Cambrea, Lee R.; Baldwin, Lawrence C.; Trivedi, Nirupam J.; Mulfort, Karen L.; Farha, Omar K.; Hupp, Joseph T.","Crystal to Crystal Guest Exchange in a Mixed Ligand Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4588","","10.1021/cg900735n","","","0.71073","MoKα","","0.1811","0.156","","","0.3933","0.4102","","","","","","1.611","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509889","10.5932","0.0019","4.7331","0.0008","17.179","0.003","90","","98.548","0.007","90","","851.8","0.3","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23.8 N4 O8.9 -","- C12 H23.812 N4 O8.906 -","- C24 H47.624 N8 O17.812 -","2","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0804","0.0538","","","0.1234","0.1374","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509968","13.662","0.005","5.636","0.0018","31.744","0.011","90","","101.091","0.005","90","","2398.6","1.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 Cl N O4 S -","- C26 H28 Cl N O4 S -","- C104 H112 Cl4 N4 O16 S4 -","4","2","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0945","0.0758","","","0.2216","0.2413","","","","","","1.103","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509969","13.626","0.003","5.771","0.0012","17.465","0.004","90","","109.134","0.004","90","","1297.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.1325","0.0797","","","0.1909","0.2237","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509970","9.191","0.0009","19.0375","0.0018","20.248","0.002","90","","97.709","0.002","90","","3510.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H132 N4 O8 -","- C64 H106 N4 O8 -","- C128 H212 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1073","0.0889","","","0.2646","0.2949","","","","","","1.213","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509971","9.1784","0.0014","19.071","0.003","22.284","0.003","90","","93.151","0.004","90","","3894.7","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H148 N4 O8 -","- C72 H120 N4 O8 -","- C144 H240 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1542","0.1026","","","0.2766","0.3316","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509972","9.292","0.0019","18.94","0.004","22.831","0.005","90","","90.94","0.03","90","","4017.5","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H132 N4 O8 -","- C76 H132 N4 O8 -","- C152 H264 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1453","0.0983","","","0.2727","0.3475","","","","","","1.047","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509973","9.172","0.0018","18.993","0.004","24.386","0.005","90","","90.19","0.03","90","","4248.1","1.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C80 H164 N4 O8 -","- C80 H130 N4 O8 -","- C160 H260 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1664","0.1176","","","0.2758","0.3353","","","","","","1.879","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4510030","8.4218","0.0004","10.3619","0.0004","10.7421","0.0008","90","","102.256","0.007","90","","916.05","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H21 B Cl F4 Ir N4 -","- C15 H21 B Cl F4 Ir N4 -","- C30 H42 B2 Cl2 F8 Ir2 N8 -","2","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71075","MoKα","","0.065","0.0546","","","0.1016","0.1069","","","","","","1.062","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510041","8.408","0.003","6.082","0.002","13.429","0.005","90","","90.023","0.005","90","","686.7","0.4","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.0663","0.0427","","","0.1001","0.1121","","","","","","1.123","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510091","7.262","0.002","7.837","0.001","27.115","0.002","90","","96.43","0.02","90","","1533.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0539","0.0472","","","0.1009","0.1054","","","","","","1.034","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510145","8.9102","0.0011","19.302","0.002","15.1245","0.0018","90","","94.102","0.002","90","","2594.5","0.5","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H36 F6 Fe2 N12 -","- C62 H36 F6 Fe2 N12 -","- C124 H72 F12 Fe4 N24 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1339","0.0526","","","0.0885","0.1084","","","","","","1.02","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510161","5.071","0.001","13.93","0.01","16.36","0.01","90","","90.01","0.02","90","","1155.7","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C48 H60 N4 O12 -","2","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1486","0.068","","","0.1394","0.1939","","","","","","0.959","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510322","8.4484","0.0006","10.3292","0.0007","13.6867","0.0009","90","","104.576","0.004","90","","1155.93","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 Co N5 O7 -","- C23 H27 Co N5 O7 -","- C46 H54 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0623","0.0491","","","0.1167","0.1251","","","","","","1.02","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510323","8.4181","0.0002","10.3794","0.0002","13.6828","0.0003","90","","103.697","0.001","90","","1161.53","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","1","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0313","0.0286","","","0.081","0.0984","","","","","","1.275","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510324","8.4008","0.0009","10.3355","0.0011","13.677","0.0015","90","","103.716","0.008","90","","1153.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 Co N5 O7 -","- C23 H25 Co N5 O7 -","- C46 H50 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.1236","0.0755","","","0.1392","0.1581","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510369","10.7791","0.0007","22.9541","0.0016","24.1692","0.0017","90","","90.212","0.001","90","","5980","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H40 O20 Pb8 -","- C56 H40 O20 Pb8 -","- C224 H160 O80 Pb32 -","4","2","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.7749","synchrotron","","0.04","0.0374","","","0.0827","0.0841","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510382","6.7274","0.0001","17.3472","0.0003","8.5768","0.0006","90","","106.968","0.008","90","","957.35","0.08","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Hg N4 O7 -","- C16 H20 Hg N4 O7 -","- C32 H40 Hg2 N8 O14 -","2","1","","Carter, Kelsey K.; Rycenga, Halley B.; McNeil, Anne J.","Improving Hg-Triggered Gelation via Structural Modifications.","Langmuir : the ACS journal of surfaces and colloids","2014","30","12","3522","3527","10.1021/la404567b","","","1.54187","CuKα","","0.0157","0.0156","","","0.0368","0.0369","","","","","","1.041","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510383","8.8426","0.0004","7.5945","0.0004","12.9242","0.0006","90","","90.186","0.004","90","","867.92","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 O4 P -","- C19 H17 O4 P -","- C38 H34 O8 P2 -","2","1","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.0891","0.045","","","0.0977","0.1159","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510410","15.748","0.009","6.067","0.003","15.816","0.008","90","","104.771","0.016","90","","1461.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1395","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510411","15.791","0.0011","6.0752","0.0004","15.8571","0.0011","90","","104.798","0.002","90","","1470.77","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0516","0.0379","","","0.1027","0.1299","","","","","","1.137","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510412","9.1696","0.0003","6.1","0.0002","14.0886","0.0006","90","","102.164","0.002","90","","770.35","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0525","0.0354","","","0.1055","0.1318","","","","","","0.869","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510413","9.0497","0.0004","6.0462","0.0003","13.8277","0.0006","90","","100.174","0.002","90","","744.7","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.035","0.028","","","0.0599","0.0853","","","","","","1.152","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510414","9.1044","0.0004","6.1014","0.0003","14.0785","0.0006","90","","102.464","0.001","90","","763.62","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C32 H36 Cl2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0381","0.0344","","","0.0973","0.1092","","","","","","1.115","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510416","11.6182","0.001","6.0241","0.0005","11.6695","0.001","90","","106.132","0.002","90","","784.58","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0578","0.0397","","","0.1041","0.1398","","","","","","1.109","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510417","11.6215","0.001","6.0357","0.0005","11.674","0.001","90","","106.13","0.002","90","","786.62","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0473","0.0348","","","0.0966","0.1393","","","","","","0.819","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510477","10.6617","0.0003","24.3076","0.0007","15.0889","0.0003","90","","90.1235","0.0005","90","","3910.44","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((3-phenylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C36 H39 F6 Mn N4 O6.5 S2 -","- C36 H39 F6 Mn N4 O6.5 S2 -","- C144 H156 F24 Mn4 N16 O26 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0464","0.0404","","","0.1048","0.108","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510478","9.6677","0.0002","15.7748","0.0004","11.2312","0.0003","90","","105.41","0.001","90","","1651.25","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis(isoquinolin-3-ylmethyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H30 F6 Mn N4 O6 S2 -","- C30 H30 F6 Mn N4 O6 S2 -","- C60 H60 F12 Mn2 N8 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","1.54178","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.056","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510481","8.6096","0.0002","19.9107","0.0005","11.0566","0.0003","90","","110.506","0.0008","90","","1775.26","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((4-dimethylamino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H44 F6 Mn N6 O6 S2 -","- C30 H44 F6 Mn N6 O6 S2 -","- C60 H88 F12 Mn2 N12 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0328","0.0314","","","0.0837","0.0847","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510574","3.9306","0.0005","31.84","0.004","10.9924","0.0014","90","","90.381","0.002","90","","1375.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.113","0.0787","","","0.1825","0.2054","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510584","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0696","0.0503","","","0.1035","0.1149","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510585","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C27 H23 N -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0725","0.0534","","","0.1136","0.1255","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510586","7.897","0.004","5.861","0.002","10.737","0.005","90","","108.062","0.019","90","","472.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H11 N -","- C13 H11 N -","- C26 H22 N2 -","2","1","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0524","0.0485","","","0.1038","0.1075","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510603","11.1316","0.0003","7.8164","0.0002","14.689","0.0004","90","","97.406","0.002","90","","1267.41","0.06","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N O2.5 S2 -","- C12 H12 N O2.5 S2 -","- C48 H48 N4 O10 S8 -","4","2","","Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.","ACS combinatorial science","2013","15","6","298","308","10.1021/co400022r","","","1.54178","CuKα","","0.0432","0.0405","","","0.112","0.1187","","","","","","0.894","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510772","10.287","0.002","32.938","0.008","12.78","0.003","90","","90.213","0.003","90","","4330.3","1.7","150.15","","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel dihydrate","","- C44 H58.5 N O16 -","- C44 H58.5 N O16 -","- C176 H234 N4 O64 -","4","2","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.139","0.0642","","","0.1341","0.1558","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510773","12.608","0.003","8.6626","0.0019","20.353","0.004","90","","98.942","0.002","90","","2195.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel hydrate ethanol solvate","","- C45 H60 N O16 -","- C45 H60 N O16 -","- C90 H120 N2 O32 -","2","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.0531","0.0499","","","0.1396","0.1428","","","","","","1.041","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510778","10.8562","0.0002","8.0322","0.0001","14.1325","0.0003","90","","102.146","0.0008","90","","1204.76","0.04","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 Cl2 N2 -","- C26 H22 Cl2 N2 -","- C52 H44 Cl4 N4 -","2","1","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.1173","","","","0.3859","","","","","","2.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510813","15.433","0.002","29.985","0.005","15.798","0.002","90","","119.094","0.008","90","","6388.2","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C230 H192 Cl50 N16 O16 Pd8 Ru4 S8 -","2","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","0.71073","MoKα","","0.1074","0.0835","","","0.1896","0.2032","","","","","","1.065","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510820","7.779","0.002","17.321","0.004","10.313","0.003","90","","103.685","0.004","90","","1350.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Cl F N3 O7 -","- C28 H31 Cl F N3 O7 -","- C56 H62 Cl2 F2 N6 O14 -","2","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0634","0.0538","","","0.1145","0.1188","","","","","","1.104","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510854","9.5629","0.0002","11.0734","0.0003","23.6751","0.0005","90","","97.364","0.001","90","","2486.37","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H78 N2 O4 -","- C57 H78 N2 O4 -","- C114 H156 N4 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0754","0.0483","","","0.121","0.1381","","","","","","1.057","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510855","9.7348","0.0006","11.0149","0.0007","23.2365","0.0015","90","","96.505","0.002","90","","2475.6","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H76 N2 O4 -","- C55 H76 N2 O4 -","- C110 H152 N4 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0814","0.0585","","","0.1844","0.2205","","","","","","1.097","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510872","6.23877","0.00007","11.55362","0.00012","11.3436","0.00012","90","","90.9259","0.0009","90","","817.544","0.015","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","Levetiracetam 2,2-dimethylsuccinic acid cocrystal","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","8.7502","4.1792","","","","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510880","5.7646","0.0004","19.8963","0.0014","11.069","0.0008","90","","99.331","0.006","90","","1252.75","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","2","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0608","0.0457","","","0.0899","0.0974","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510887","7.3934","0.0002","27.5812","0.0006","10.5964","0.0003","90","","109.234","0.003","90","","2040.19","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N2 O2.5 -","- C22 H37 N2 O2.5 -","- C88 H148 N8 O10 -","4","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0379","0.0327","","","0.0701","0.0711","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510889","10.4243","0.001","7.4432","0.0005","27.018","0.002","90","","94.069","0.009","90","","2091","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22.5 H36.5 N2.5 O2 -","- C22.5 H36.5 N2.5 O2 -","- C90 H146 N10 O8 -","4","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0668","0.0493","","","0.1208","0.1327","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510891","10.3775","0.0008","7.4347","0.0006","15.5801","0.0008","90","","91.895","0.006","90","","1201.4","0.15","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 N2 O5 -","- C25 H40 N2 O5 -","- C50 H80 N4 O10 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0921","0.0504","","","0.0824","0.09","","","","","","0.875","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510894","10.5093","0.0003","7.2906","0.0002","15.5622","0.0005","90","","94.812","0.003","90","","1188.16","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H44 N2 O4 -","- C24 H44 N2 O4 -","- C48 H88 N4 O8 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0397","0.0332","","","0.0733","0.0747","","","","","","0.973","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510938","7.0506","0.0015","5.932","0.0013","7.4848","0.0016","90","","103.46","0.003","90","","304.45","0.11","90","1","90","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0388","0.0363","","","0.1043","0.106","","","","","","1.087","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510939","3.868","0.003","5.941","0.004","13.486","0.009","90","","98.089","0.012","90","","306.8","0.4","90","1","90","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.1019","0.0673","","","0.1448","0.1582","","","","","","1.009","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510984","7.6566","0.0012","10.0243","0.0016","9.2447","0.0014","90","","92.735","0.002","90","","708.74","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","copper 2-(1H-imidazole-yl) propinate","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C24 H28 Cu2 N8 O8 -","2","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0429","0.0354","","","0.0757","0.0795","","","","","","1.026","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510994","3.691","0.001","25.921","0.005","7.374","0.002","90","","90.005","0.003","90","","705.5","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,5-Dihydroxybenzoic acid hemihydrate","","","- C14 H12 O9 -","- C14 H12 O9 -","- C28 H24 O18 -","2","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.1107","0.0995","","","0.2549","0.2732","","","","","","1.186","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4511014","10.911","0.0002","34.4444","0.0004","16.7589","0.0003","90","","95.8673","0.0018","90","","6265.38","0.18","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C114 H165 N12 O28.5 -","- C114 H165 N12 O28.5 -","- C228 H330 N24 O57 -","2","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1148","0.1016","","0.2394","0.2169","0.2388","","","","","","1.0478","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511015","11.086","0.0009","34.5934","0.0019","14.7651","0.0012","90","","91.329","0.008","90","","5660.9","0.7","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C58 H83 N5 O13 -","- C58 H83 N5 O13 -","- C232 H332 N20 O52 -","4","2","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1137","0.0889","","0.206","0.1824","0.206","","","","","","1.0202","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511110","15.9467","0.0012","5.6327","0.0004","16.6869","0.0013","90","","111.075","0.002","90","","1398.61","0.18","150","2","150","2","","","","","","","diffusion of H2O layered on CH2Cl2","6","P 1 21 1","P 2yb","4","{2[Cu(II)(dipic)](4,4-bipy)}(CH2Cl2) 2(H2O)","mu-bipyridine bis[(dipicolinato) copper (II)] dichloromethane water adduct 1:1:2","","- C25 H20 Cl2 Cu2 N4 O10 -","- C25 H14 Cl2 Cu2 N4 O10 -","- C50 H28 Cl4 Cu4 N8 O20 -","2","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0669","0.0571","","0.1752","0.1635","","","","1.067","1.075","1.075","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511130","5.891","0.0009","14.382","0.002","8.6385","0.0012","90","","95.156","0.002","90","","728.93","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu2 N5 S2 -","- C14 H9 Cu2 N5 S2 -","- C28 H18 Cu4 N10 S4 -","2","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0359","0.0312","","","0.0591","0.0621","","","","","","1.024","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511157","8.772","0.0007","12.5373","0.0011","14.2431","0.0012","90","","99.244","0.002","90","","1546.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H72 Cu2 Mn2 N32 -","- C48 H72 Cu2 Mn2 N32 -","- C48 H72 Cu2 Mn2 N32 -","1","0.5","","Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique","Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation","Crystal Growth & Design","2009","9","9","4102","","10.1021/cg9003438","","","0.71073","MoKα","","0.0743","0.0566","","","0.1114","0.1213","","","","","","0.987","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511200","15.1179","0.0004","8.6311","0.0002","16.266","0.0004","90","","95.133","0.001","90","","2113.94","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H24 I4 N4 O V -","- C44 H24 I4 N4 O V -","- C88 H48 I8 N8 O2 V2 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0574","0.0495","","","0.1403","0.1461","","","","","","1.039","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511275","3.9343","0.0007","5.9336","0.001","12.962","0.004","90","","98.467","0.009","90","","299.29","0.12","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0604","0.0346","","","0.0566","0.063","","","","","","1.181","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511276","7.031","0.004","5.924","0.004","7.441","0.005","90","","103.563","0.017","90","","301.3","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0804","0.0445","","","0.0853","0.0977","","","","","","1.17","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511279","10.3254","0.0003","17.7175","0.0006","14.3986","0.0004","90","","95.878","0.002","90","","2620.23","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H54 F2 N8 O14 Zn2 -","- C52 H54 F2 N8 O14 Zn2 -","- C104 H108 F4 N16 O28 Zn4 -","2","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0603","0.0456","","","0.1003","0.1089","","","","","","1.014","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511280","10.4408","0.0008","18.2171","0.0012","15.714","0.0011","90","","98.588","0.007","90","","2955.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 F N4 O7 Zn -","- C30 H27 F N4 O7 Zn -","- C120 H108 F4 N16 O28 Zn4 -","4","2","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0896","0.0534","","","0.1243","0.1473","","","","","","1.013","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511301","10.6644","0.0007","7.2335","0.0005","15.0947","0.001","90","","106.016","0.007","90","","1119.22","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Stanozolol / malonic acid cocrystal","(1S,10aS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol malonic acid","","- C24 H36 N2 O5 -","- C24 H36 N2 O5 -","- C48 H72 N4 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0524","0.0456","","","0.1053","0.1096","","","","","","1.021","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511329","4.315","0.003","19.046","0.011","5.83","0.003","90","","94.72","0.009","90","","477.5","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C20 H18 N6 O4 -","2","1","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0755","0.0598","","","0.1444","0.153","","","","","","0.997","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511365","15.153","0.003","5.9037","0.0014","15.808","0.004","90","","115.745","0.003","90","","1273.8","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C54 H70 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0806","0.0679","","","0.1747","0.1846","","","","","","0.992","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511371","14.998","0.004","5.9003","0.0014","15.904","0.004","90","","115.428","0.002","90","","1271","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H30 N O5 -","- C54 H60 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0967","0.083","","","0.2037","0.2141","","","","","","0.998","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511376","13.037","0.003","5.7396","0.0011","16.663","0.003","90","","109.786","0.002","90","","1173.2","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0938","0.0751","","","0.1827","0.1953","","","","","","0.956","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511380","14.6875","0.0018","5.8302","0.0007","16.291","0.002","90","","116.784","0.002","90","","1245.3","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0916","0.0793","","","0.2135","0.2246","","","","","","1.031","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511381","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511394","6.70721","0.00007","7.01427","0.00007","10.01819","0.0001","90","","102.64","0.0003","90","","459.895","0.008","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0266","0.0266","","","0.0686","0.0686","","","","","","1.006","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511395","6.7076","0.0005","7.0112","0.0005","10.021","0.0007","90","","102.635","0.002","90","","459.86","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0257","0.0257","","","0.0688","0.0688","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511431","4.9095","0.0009","17.009","0.003","6.6979","0.0011","90","","101.833","0.015","90","","547.43","0.17","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C18 H34 N2 O12 -","2","1","","Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki","Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid","Crystal Growth & Design","2006","6","7","1606","","10.1021/cg060041s","","","1.54187","CuKα","","","0.0484","","","","0.1107","","","","","","0.781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511469","5.6782","0.0017","21.221","0.006","10.394","0.003","90","","91.946","0.004","90","","1251.7","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 N6 O12 -","- C24 H16 N6 O12 -","- C48 H32 N12 O24 -","2","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0444","0.033","","","0.0754","0.0805","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511470","8.175","0.004","6.719","0.003","11.189","0.005","90","","98.991","0.006","90","","607","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0443","0.0341","","","0.0809","0.0849","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511506","5.499","0.002","15.17","0.006","12.288","0.005","90","","100.222","0.003","90","","1008.8","0.7","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","","Yamasaki, Ryu; Tanatani, Aya; Azumaya, Isao; Masu, Hyuma; Yamaguchi, Kentaro; Kagechika, Hiroyuki","Solvent-Dependent Conformational Switching ofN-Phenylhydroxamic Acid and Its Application in Crystal Engineering","Crystal Growth & Design","2006","6","9","2007","","10.1021/cg060151z","","","0.71073","MoKα","","0.0286","0.0285","","","0.0759","0.0763","","","","","","1.041","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511546","8.6175","0.0009","24.679","0.003","13.4297","0.0014","90","","101.002","0.001","90","","2803.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudinium Oxalate monohydrate","","","- C10 H15 N3 O8 S -","- C10 H15 N3 O8 S -","- C80 H120 N24 O64 S8 -","8","4","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.0509","0.039","","","0.0819","0.0884","","","","","","1.014","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511596","10.7203","0.0007","9.3534","0.0004","14.3581","0.0011","90","","110.236","0.008","90","","1350.84","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N4 O10 -","- C24 H38 N4 O10 -","- C48 H76 N8 O20 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0447","0.0372","","","0.0892","0.0951","","","","","","0.956","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511597","12.0408","0.0008","5.9067","0.0003","12.1169","0.0008","90","","113.961","0.008","90","","787.51","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C26 H44 N4 O12 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0584","0.0411","","","0.0885","0.0966","","","","","","1.023","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511598","5.9628","0.0004","11.5797","0.0008","22.5983","0.0018","90","","95.615","0.008","90","","1552.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C52 H88 N8 O24 -","4","2","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0602","0.0485","","","0.1162","0.1243","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511600","6.8807","0.0001","11.0656","0.0002","16.4085","0.0003","90","","96.713","0.002","90","","1240.76","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 N2 O5 -","- C26 H40 N2 O5 -","- C52 H80 N4 O10 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0312","0.0298","","","0.0774","0.0792","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511622","5.1773","0.0007","15.729","0.002","9.0925","0.0012","90","","101.548","0.003","90","","725.45","0.17","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.1146","0.0596","","","0.1224","0.1751","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511644","8.1604","0.0015","9.5399","0.0018","9.6845","0.0018","90","","109.041","0.008","90","","712.7","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C28 H24 Br2 F6 O4 -","2","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0464","","","","0.117","","","","","","0.911","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511662","15.5024","0.0016","6.2258","0.0008","20.953","0.002","90","","101.598","0.005","90","","1981","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C42 H45 N O13 -","- C42 H45 N O13 -","- C84 H90 N2 O26 -","2","1","","Calosso, Mickael; Tambutet, Guillaume; Charpentier, Daniel; St-Pierre, Gabrielle; Vaillancourt, Marc; Bencheqroun, Mohammed; Gratton, Jean-Philippe; Prévost, Michel; Guindon, Yvan","Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists.","ACS medicinal chemistry letters","2014","5","9","1054","1059","10.1021/ml500266x","","","1.54178","CuKα","","0.1133","0.0774","","","0.1808","0.2021","","","","","","1.141","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511667","8.2619","0.0019","7.6594","0.0017","12.583","0.003","90","","99.974","0.004","90","","784.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 I N O -","- C19 H12 I N O -","- C38 H24 I2 N2 O2 -","2","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution","ACS Catalysis","2014","4","8","2741","","10.1021/cs500813z","","","0.71073","MoKα","","0.0266","0.0249","","","0.0625","0.0638","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511730","13.5242","0.0002","13.479","0.00029","23.9472","0.0005","90","","100.92","0.0011","90","","4286.36","0.14","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","1,4-bis[4-estren-17?-ethynyl-18a-homo-17?-ol-3-one]-benzene","","- C50 H61 N O4 -","- C50 H61 N O4 -","- C200 H244 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1415","0.0938","","","0.2083","0.232","","","","","","1.14","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511732","13.4822","0.0002","13.4861","0.0002","24.1921","0.0004","90","","96.0156","0.0007","90","","4374.44","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-bis(18a-Homo-17?-hydroxy-17?-ethynyl-4-estren-3-one) -2,3-difluorobenzene","","- C50 H59 F2 N O4 -","- C50 H59 F2 N O4 -","- C200 H236 F8 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1203","0.0767","","","0.1694","0.1904","","","","","","1.108","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511783","10.6454","0.0009","10.5867","0.0009","17.3734","0.0015","90","","90.393","0.005","90","","1957.9","0.3","140","","140","","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ni(PtBu2NtBu2)(CH3CN)2](BF4)2","","- C26 H53 B2 F8 N5 Ni P2 -","- C26 H53 B2 F8 N5 Ni P2 -","- C52 H106 B4 F16 N10 Ni2 P4 -","2","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0849","0.0766","","","0.2093","0.2164","","","","","","1.077","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511812","4.8075","0.0002","9.4727","0.0005","9.7014","0.0004","90","","95.763","0.004","90","","439.57","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 N2 O6 Zn -","- C6 H10 N2 O6 Zn -","- C12 H20 N4 O12 Zn2 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.68239","synchrotron","","0.0676","0.0668","","","0.1682","0.1694","","","","","","1.071","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511846","4.369","0.001","29.078","0.006","9.186","0.002","90","","102.27","0.01","90","","1140.3","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Trithiocyanuric acid+1,7-phenonthroline","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C36 H28 N16 S12 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.7107","MoKα","","0.0406","0.0395","","","0.0988","0.0997","","","","","","1.162","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511859","4.8111","0.0006","19.933","0.003","5.483","0.0007","90","","103.41","0.002","90","","511.48","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0274","0.0257","","","0.0567","0.0572","","","","","","1.048","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511860","4.8207","0.0007","19.966","0.003","5.5008","0.0007","90","","103.363","0.002","90","","515.12","0.13","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0259","0.0239","","","0.054","0.0548","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511861","4.814","0.0012","19.924","0.005","5.5056","0.0014","90","","103.356","0.004","90","","513.8","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.039","0.0362","","","0.09","0.0916","","","","","","1.063","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511862","4.8259","0.0007","19.954","0.003","5.5272","0.0008","90","","103.186","0.002","90","","518.21","0.13","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0327","0.0286","","","0.0608","0.0623","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511863","4.8387","0.0009","19.991","0.004","5.5464","0.001","90","","103.104","0.003","90","","522.54","0.17","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0374","0.0315","","","0.0666","0.069","","","","","","1.054","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511864","4.833","0.0016","19.978","0.007","5.5547","0.0019","90","","103.038","0.005","90","","522.5","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.037","0.0317","","","0.0703","0.0727","","","","","","1.067","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511865","4.8367","0.0009","19.97","0.004","5.5587","0.001","90","","102.953","0.003","90","","523.25","0.17","323","","323","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0446","0.0374","","","0.0805","0.084","","","","","","1.064","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511866","4.8314","0.0008","19.955","0.003","5.547","0.001","90","","103.005","0.003","90","","521.07","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0394","0.0333","","","0.0703","0.0728","","","","","","1.046","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511867","4.8298","0.0007","19.955","0.003","5.5441","0.0008","90","","103.05","0.002","90","","520.53","0.13","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0368","0.0311","","","0.0697","0.0722","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511868","4.8255","0.0006","19.958","0.003","5.5336","0.0007","90","","103.141","0.002","90","","518.97","0.12","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0301","0.0266","","","0.0584","0.06","","","","","","1.052","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511869","4.8117","0.0007","19.917","0.003","5.5101","0.0008","90","","103.221","0.002","90","","514.06","0.13","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0262","0.0239","","","0.0501","0.0509","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511870","4.8078","0.0006","19.908","0.003","5.4958","0.0007","90","","103.298","0.002","90","","511.92","0.12","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0242","0.0224","","","0.0473","0.0479","","","","","","1.058","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511871","4.809","0.0006","19.923","0.003","5.4926","0.0007","90","","103.349","0.002","90","","512.03","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0236","0.0219","","","0.0496","0.0501","","","","","","1.043","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511945","8.2744","0.0009","17.2532","0.0012","11.0608","0.001","90","","102.849","0.01","90","","1539.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl10 Mn9 O16 Sb8 -","- Cl10 Mn9 O16 Sb8 -","- Cl20 Mn18 O32 Sb16 -","2","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.1229","0.0631","","","0.0925","0.1039","","","","","","0.897","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512001","10.9319","0.0002","11.3535","0.0003","11.1954","0.0002","90","","105.205","0.0013","90","","1340.88","0.05","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 Br2 N4 O4 -","- C28 H30 Br2 N4 O4 -","- C56 H60 Br4 N8 O8 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0518","0.0443","","0.0536","0.0531","0.0531","","","","","","1.0883","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4512027","6.3856","0.0005","6.6445","0.0005","10.5589","0.0008","90","","91.304","0.007","90","","447.89","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O4 S -","- C6 H8 N2 O4 S -","- C12 H16 N4 O8 S2 -","2","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0694","0.0645","","","0.2109","0.2173","","","","","","1.645","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512050","7.7599","0.0004","25.3409","0.0012","13.0885","0.0006","90","","92.7802","0.0013","90","","2570.7","0.2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C122 H64 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0365","","","","0.1053","","","","","","0.951","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512057","9.64383","0.00015","5.51183","0.00007","14.44803","0.00018","90","","95.6537","0.0013","90","","764.251","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.5418","CuKα","","0.0274","0.0271","","","0.0703","0.0705","","","","","","1.065","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512058","12.0622","0.0003","9.18339","0.00018","13.6306","0.0003","90","","94.3","0.002","90","","1505.64","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C70 H108 O4 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.54184","CuKα","","0.0549","0.0474","","","0.1138","0.1222","","","","","","1.025","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512201","7.3706","0.0002","19.8583","0.0005","13.9888","0.0003","90","","90.619","0.002","90","","2047.39","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","estra-1,3,5(10)-triene-3,17-diol(17?)-17-pentanoate","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","2","","Ellena, Javier; de Paula, Karina; de Melo, Cristiane C.; da Silva, Cecília C. P.; Bezerra, Beatriz P.; Venâncio, Tiago; Ayala, Alejandro P.","Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17β Valerate","Crystal Growth & Design","2014","14","11","5700","","10.1021/cg500974r","","x-ray","1.54178","CuKα","","0.069","0.0573","","","0.1552","0.1649","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4512202","7.5539","0.0012","18.667","0.003","14.092","0.002","90","","90.402","0.008","90","","1987","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","estra-1,3,5(10)-triene-3,17-diol(17?)-17-pentanoate","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","2","","Ellena, Javier; de Paula, Karina; de Melo, Cristiane C.; da Silva, Cecília C. P.; Bezerra, Beatriz P.; Venâncio, Tiago; Ayala, Alejandro P.","Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17β Valerate","Crystal Growth & Design","2014","14","11","5700","","10.1021/cg500974r","","","1.54178","CuKα","","0.0421","0.0381","","","","0.1046","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512228","11.0567","0.0002","7.1057","0.0001","11.4404","0.0002","90","","96.913","0.002","90","","892.29","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O11 -","- C15 H20 N4 O11 -","- C30 H40 N8 O22 -","2","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.0258","0.0241","","","0.0598","0.0612","","","","","","1.072","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512231","8.5695","0.0008","11.3027","0.001","21.867","0.002","90","","92.817","0.006","90","","2115.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H43 Cl2 Cu2 N7 O15 -","- C34 H41 Cl2 Cu2 N7 O15 -","- C68 H82 Cl4 Cu4 N14 O30 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.0695","0.0596","","","0.1635","0.1732","","","","","","1.045","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512242","10.08","0.002","20.648","0.004","13.183","0.003","90","","107.503","0.003","90","","2616.8","0.9","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N3 O7 S2 -","- C26 H27 N3 O7 S2 -","- C104 H108 N12 O28 S8 -","4","2","","Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi","Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand","ACS Catalysis","2014","4","12","4304","","10.1021/cs501369z","","","0.71075","MoKα","","0.0807","0.0475","","","0.105","0.1308","","","","","","0.963","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512255","9.38","0.03","16.81","0.04","11.48","0.03","90","","100.426","0.016","90","","1780","8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H46 N8 O16 Zn2 -","- C26 H34 N8 O16 Zn2 -","- C52 H68 N16 O32 Zn4 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0536","0.0434","","","0.1074","0.1379","","","","","","1.049","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512256","7.584","0.003","15.434","0.006","9.559","0.004","90","","98.887","0.006","90","","1105.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O8 Zn -","- C18 H20 N4 O8 Zn -","- C36 H40 N8 O16 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0523","0.0418","","","0.0867","0.0933","","","","","","0.999","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512257","9.483","0.003","17.454","0.006","13.003","0.004","90","","99.291","0.005","90","","2124","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 N4.5 Na0.5 O7.5 Zn -","- C18 H20 N4.5 Na0.5 O7.5 Zn -","- C72 H80 N18 Na2 O30 Zn4 -","4","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0732","0.0478","","","0.0963","0.1089","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512403","8.323","0.002","12.764","0.003","10.191","0.002","90","","115.88","0.02","90","","974.1","0.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","anhydrous brucine","anhydrous brucine","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","","Białońska, Agata; Ciunik, Zbigniew; Ilczyszyn, Maria M.; Siczek, Miłosz","Discrete Cuboidal 15- and 16-Membered Water Clusters in Brucine 3.86-Hydrate, Water Release and Its Consequences","Crystal Growth & Design","2014","14","12","6537","","10.1021/cg501437g","","","0.71073","MoKα","","0.3255","0.048","","","0.0444","0.0707","","","","","","0.673","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512446","8.338","0.002","24.218","0.004","34.991","0.004","90","","91.43","0.03","90","","7064","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate 4.28-hydrate","","- C33 H54.26 N5 O16.28 -","- C33 H40.5 N5 O16.2838 -","- C264 H324 N40 O130.27 -","8","4","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2242","0.0964","","","0.1836","0.2227","","","","","","0.928","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512447","12.488","0.003","9.092","0.002","31.175","0.004","90","","97.39","0.03","90","","3510.2","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 0.5-solvate 2.125-hydrate","","- C33.5 H41.25 N5 O14.62 -","- C33.5 H41 N5.0005 O14.626 -","- C134 H164 N20.002 O58.504 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2166","0.0544","","","0.0798","0.1084","","","","","","0.766","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512448","20.962","0.003","7.304","0.002","21.824","0.003","90","","114.79","0.03","90","","3033.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate brucine 11.5-hydrate","","- C56 H88.5 N7 O27.5 -","- C56 H84.002 N7 O27.501 -","- C112 H168.004 N14 O55.002 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2028","0.0548","","","0.0642","0.0857","","","","","","0.766","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512455","5.1067","0.0002","11.928","0.0004","15.558","0.0005","90","","96.711","0.002","90","","941.19","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","0.71073","MoKα","","0.0505","0.0364","","","0.075","0.0795","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512506","10.5138","0.0006","18.6574","0.0009","12.2419","0.0006","90","","114.168","0.002","90","","2190.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Gd H40 Mo10 N3 O50 -","- Co2 Gd H16 Mo10 N3 O50 -","- Co4 Gd2 H32 Mo20 N6 O100 -","2","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0225","0.0222","","","0.0551","0.0552","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512507","10.5165","0.0005","18.6213","0.0008","12.2525","0.0005","90","","114.066","0.001","90","","2190.85","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Tb -","- Co2 H14 Mo10 N3 O50 Tb -","- Co4 H28 Mo20 N6 O100 Tb2 -","2","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0181","0.0177","","","0.0428","0.0429","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512508","12.975","0.0004","16.1618","0.0007","13.107","0.0005","90","","94.886","0.003","90","","2738.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H52 Br5.42 Cu5.42 N6 O -","- C52 H52 Br5.418 Cu5.418 N6 O -","- C104 H104 Br10.836 Cu10.836 N12 O2 -","2","1","","Jana, Subrata; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)","Crystal Growth & Design","2015","15","1","257","","10.1021/cg5013236","","","0.71073","MoKα","","0.0416","0.0331","","","0.0664","0.0689","","","","","","0.946","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512517","5.1685","0.0004","5.5274","0.0003","12.422","0.004","90","","100.871","0.015","90","","348.51","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H11 N -","- C8 H11 N -","- C16 H22 N2 -","2","1","","Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof","New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies","Crystal Growth & Design","2015","15","1","45","","10.1021/cg500998g","","","0.7107","MoKα","","0.048","0.0347","","","0.084","0.0932","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512535","7.9371","0.0016","15.359","0.003","14.644","0.003","90","","103.76","0.03","90","","1734","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H24 N6 O8 Zn -","- C36 H24 N6 O8 Zn -","- C72 H48 N12 O16 Zn2 -","2","1","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.0995","0.0536","","","0.1362","0.1971","","","","","","1.153","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512537","8.026","0.004","15.446","0.007","14.588","0.007","90","","103.873","0.008","90","","1755.7","1.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H25 Co N6 O8.5 -","- C36 H24 Co N6 O8.5 -","- C72 H48 Co2 N12 O17 -","2","1","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.0928","0.0692","","","0.1723","0.1902","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512567","7.0609","0.0003","13.0523","0.0006","15.6203","0.0008","90","","98.512","0.004","90","","1423.73","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27 N5 O4 -","- C36 H27 N5 O4 -","- C72 H54 N10 O8 -","2","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0493","0.0439","","","0.1278","0.1347","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512569","7.8903","0.0007","11.6558","0.0008","20.221","0.002","90","","97.454","0.008","90","","1844","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H16 Br N3 O4.5 -","- C18.5 H16 Br N3 O4.5 -","- C74 H64 Br4 N12 O18 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.107","0.0775","","","0.1773","0.2076","","","","","","1.039","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512570","8.1686","0.0005","11.767","0.0004","20.2208","0.0009","90","","98.256","0.005","90","","1923.48","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H16 I N3 O4.5 -","- C18.5 H16 I N3 O4.5 -","- C74 H64 I4 N12 O18 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0646","0.055","","","0.1384","0.1469","","","","","","1.048","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512574","8.3033","0.0006","14.3166","0.0009","27.1828","0.0015","90","","90.998","0.006","90","","3230.9","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O5 -","- C18 H13 N3 O5 -","- C144 H104 N24 O40 -","8","4","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0998","0.0658","","","0.1602","0.1938","","","","","","1.001","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512575","8.4504","0.0005","14.1551","0.0009","27.2253","0.0016","90","","92.716","0.005","90","","3252.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.25 H14 N3 O5 -","- C18.25 H14 N3 O5 -","- C146 H112 N24 O40 -","8","4","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.1736","0.0894","","","0.0929","0.1192","","","","","","1.006","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512578","9.1427","0.0004","20.8064","0.001","9.5488","0.0004","90","","101.925","0.004","90","","1777.24","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 N4 O7 -","- C18 H14 N4 O7 -","- C72 H56 N16 O28 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0548","0.0427","","","0.109","0.1193","","","","","","0.998","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512626","10.3264","0.0005","6.7084","0.0003","10.3786","0.0005","90","","104.834","0.0011","90","","695","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C16 H34 B20 N2 O2 -","2","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0354","0.0354","","","0.1059","0.106","","","","","","1.145","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512627","10.3272","0.0009","6.7086","0.0008","10.3847","0.0008","90","","104.836","0.004","90","","695.48","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C16 H34 B20 N2 O2 -","2","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0427","0.037","","","0.0975","0.1016","","","","","","1.056","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512633","13.827","0.002","7.142","0.004","23.804","0.003","90","","90.925","0.005","90","","2350.4","1.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","(est)(pfn)","estrone:perfluoronaphthalene 1:1","","- C28 H22 F8 O2 -","- C28 H22 F8 O2 -","- C112 H88 F32 O8 -","4","2","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.1668","0.0671","","","0.0999","0.1196","","","","","","0.909","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512730","13.0536","0.0002","8.8996","0.00016","13.0916","0.00019","90","","97.418","0.0015","90","","1508.15","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Mn N10 O2 S2 -","- C28 H24 Mn N10 O2 S2 -","- C56 H48 Mn2 N20 O4 S4 -","2","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","1.54184","CuKα","","0.0302","0.0283","","","0.0691","0.0707","","","","","","0.951","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512735","12.4202","0.0006","13.843","0.0006","13.9603","0.0008","90","","115.446","0.006","90","","2167.4","0.2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 Cu2 N12 O10 -","- C42 H40 Cu2 N12 O10 -","- C84 H80 Cu4 N24 O20 -","2","1","","Guedes, Guilherme P.; Santos, Igor F.; Mercante, Luiza A.; Speziali, Nivaldo L.; Resende, Jackson A. L. C.; Bernardino, Alice M. R.; Andruh, Marius; Vaz, Maria G. F.","A New Quartz-like Metal‒Organic Framework Constructed from a Versatile Pyrazole-Based Spacer","Crystal Growth & Design","2015","15","3","1027","","10.1021/cg5018328","","","0.71073","MoKα","","0.0913","0.0602","","","0.1098","0.1228","","","","","","1.015","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512847","10.303","0.0002","25.2045","0.0004","10.3907","0.0001","90","","92.932","0.001","90","","2694.75","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H56 N6 O19 Pb3 -","- C51 H56 N6 O19 Pb3 -","- C102 H112 N12 O38 Pb6 -","2","1","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","0.71073","MoKα","","0.0341","0.0329","","","0.0808","0.0816","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512863","18.7686","0.0006","15.2482","0.0005","6.90544","0.00025","90","","89.7367","0.0022","90","","1976.23","0.12","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H22 Cl8 O10 -","- C39 H22 Cl8 O10 -","- C78 H44 Cl16 O20 -","2","1","","Shivakumar, Kilingaru I.; Yan, Yuncheng; Hughes, Colan E.; Apperley, David C.; Harris, Kenneth D. M.; Sanjayan, Gangadhar J.","Exploiting Powder X-ray Diffraction to Establish the Solvent-Assisted Solid-State Supramolecular Assembly of Pillar[5]quinone","Crystal Growth & Design","2015","15","4","1583","","10.1021/acs.cgd.5b00277","powder diffraction","x-ray","1.5406","","","","","","","","","0.19725","","1.64","","","","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512926","3.6697","0.0002","12.7871","0.0005","7.1036","0.0003","90","","93.258","0.005","90","","332.8","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H4 Cu2 N4 S -","- C3 H4 Cu2 N4 S -","- C6 H8 Cu4 N8 S2 -","2","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.0846","0.058","","","0.1345","0.1527","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512950","5.9981","0.0004","7.7485","0.0005","19.4519","0.0013","90","","93.6786","0.0018","90","","902.19","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N3 O -","- C17 H22 I N3 O -","- C34 H44 I2 N6 O2 -","2","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0621","0.0424","","","0.0941","0.1026","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513001","5.0749","0.0008","6.1692","0.001","5.388","0.0008","90","","113.393","0.002","90","","154.82","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0235","0.0232","","","0.0633","0.0637","","","","","","1.196","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513042","3.6371","0.0011","36.541","0.011","6.564","0.002","90","","94.998","0.003","90","","869.1","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2(Pyrazinamide).(4-nitrobenzoic acid)","","- C17 H15 N7 O6 -","- C17 H15 N7 O6 -","- C34 H30 N14 O12 -","2","1","","Abourahma, Heba; Shah, Dhaval D.; Melendez, Jesus; Johnson, Elizabeth J.; Holman, K. Travis","A Tale of Two Stoichiometrically Diverse Cocrystals","Crystal Growth & Design","2015","15","7","3101","","10.1021/acs.cgd.5b00357","","x-ray","0.71073","MoKα","","0.045","0.0388","","","0.084","0.0921","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513077","9.3997","0.0012","4.2844","0.0005","14.2053","0.0016","90","","91.627","0.004","90","","571.85","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 N3 O S3 -","- C10 H7 N3 O S3 -","- C20 H14 N6 O2 S6 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0616","0.0419","","","0.0841","0.0925","","","","","","1.089","","","","has coordinates,has disorder","137793","2020-10-21","18:00:00",""
"4513081","9.424","0.002","10.634","0.002","9.4807","0.0018","90","","98.611","0.016","90","","939.4","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Li2 N4 O4 -","- C16 H22 Li2 N4 O4 -","- C32 H44 Li4 N8 O8 -","2","1","","Shimazu, Matthew S.; Zhao, Xiang; Huynh, Duc Minh; Bu, Xianhui","Charge-Complementary-Ligands Directed Assembly of a Lithium Dimer into a Three-Dimensional Porous Framework","Crystal Growth & Design","2015","15","5","2550","","10.1021/acs.cgd.5b00358","","","0.71073","MoKα","","0.1795","0.0733","","","0.1364","0.1762","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513084","5.5668","0.0009","11.706","0.002","9.7862","0.0017","90","","90.323","0.008","90","","637.71","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.65 N3.65 O8.35 -","- C8 H19.652 N3.652 O8.348 -","- C16 H39.304 N7.304 O16.696 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.032","0.0292","","","0.0736","0.0752","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513085","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90","","90.12","0.008","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.63 N3.63 O8.37 -","- C8 H19.633 N3.633 O8.367 -","- C16 H39.266 N7.266 O16.734 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0326","0.0296","","","0.074","0.0759","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513086","9.7862","0.0017","5.5668","0.0009","11.706","0.002","90","","90.048","0.009","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H9.82 N1.82 O4.18 -","- C4 H9.8185 N1.8185 O4.1815 -","- C16 H39.274 N7.274 O16.726 -","4","2","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0334","0.0306","","","0.077","0.0788","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513089","5.5675","0.0012","9.779","0.002","11.699","0.002","90","","90.234","0.01","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.66 N3.66 O8.34 -","- C8 H19.652 N3.652 O8.348 -","- C16 H39.304 N7.304 O16.696 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0323","0.0295","","","0.074","0.0756","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513090","5.5675","0.0012","11.699","0.002","9.779","0.002","90","","90.215","0.01","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.63 N3.63 O8.37 -","- C8 H19.63 N3.63 O8.37 -","- C16 H39.26 N7.26 O16.74 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0391","0.0363","","","0.0871","0.0889","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513091","9.779","0.002","5.5675","0.0012","11.699","0.002","90","","90.078","0.011","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.64 N3.64 O8.36 -","- C8 H19.644 N3.644 O8.356 -","- C16 H39.288 N7.288 O16.712 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0391","0.0362","","","0.0866","0.0885","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513203","9.05","0.01","6.08","0.01","15.1","0.01","90","","101.67","0.01","90","","813.7","1.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.0691","0.0509","","","0.1172","0.1224","","","","","","0.958","","","","has coordinates,has disorder","152784","2020-10-21","18:00:00",""
"4513204","6.5672","0.0006","14.5638","0.0013","8.2949","0.0008","90","","91.341","0.008","90","","793.14","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.1188","0.0915","","","0.2556","0.3402","","","","","","1.424","","","","has coordinates","152784","2020-10-21","18:00:00",""
"4513205","6.5739","0.0006","14.5868","0.0012","8.3126","0.0007","90","","91.506","0.008","90","","796.84","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.0317","0.03","","","0.0741","0.0758","","","","","","1.068","","","","has coordinates","152784","2020-10-21","18:00:00",""
"4513216","8.4925","0.0003","18.0565","0.0005","21.7726","0.0007","90","","92.034","0.003","90","","3336.61","0.18","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 N -","- C20 H24.5 N -","- C160 H196 N8 -","8","4","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0984","0.0642","","0.0701","0.0507","0.0468","","","","","","1.1591","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513237","9.0422","0.0006","29.432","0.002","15.6532","0.0011","90","","104.306","0.0019","90","","4036.6","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1 (second modification) in manuscript","","","- C52 H32 N4 Si -","- C52 H32 N4 Si -","- C208 H128 N16 Si4 -","4","2","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.0981","0.0569","","","0.1191","0.1366","","","","","","1.013","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513290","8.357","0.001","4.0889","0.0002","7.4","0.004","90","","106.9","0.03","90","","241.94","0.14","293","2","293","2","11680000","70000","11680000","70000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1383","0.1179","","","0.3061","0.3373","","","","","","1.18","","","","has coordinates,has disorder","154542","2020-10-21","18:00:00",""
"4513291","8.3494","0.001","4.0797","0.0002","7.388","0.005","90","","106.91","0.03","90","","240.78","0.17","293","2","293","2","11950000","50000","11950000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1184","0.1068","","","0.2565","0.2726","","","","","","1.089","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513292","8.3557","0.0017","4.0829","0.0003","7.385","0.007","90","","107.04","0.05","90","","240.9","0.2","293","2","293","2","11920000","50000","11920000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0784","0.0742","","","0.1966","0.2007","","","","","","1.113","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513293","8.3192","0.0009","4.0286","0.0002","7.298","0.003","90","","106.84","0.03","90","","234.1","0.11","293","2","293","2","14440000","50000","14440000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0943","0.0867","","","0.2291","0.2406","","","","","","1.117","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513294","8.223","0.0007","3.9071","0.0002","7.13","0.003","90","","106.53","0.02","90","","219.61","0.1","293","2","293","2","21160000","110000","21160000","110000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1016","0.0929","","","0.2382","0.245","","","","","","1.107","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513295","8.3873","0.0008","4.136","0.0002","7.49","0.004","90","","107.03","0.03","90","","248.43","0.14","293","2","293","2","9540000","110000","9540000","110000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0754","0.0694","","","0.1846","0.1919","","","","","","1.183","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513296","8.4114","0.0005","4.1895","0.0001","7.614","0.003","90","","107.025","0.019","90","","256.56","0.11","293","2","293","2","7420000","370000","7420000","370000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0874","0.0833","","","0.2236","0.2288","","","","","","1.139","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513323","17.022","0.0003","30.157","0.0005","18.757","0.0003","90","","112.985","0.001","90","","8864.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 Co9 N56 O28 W6 -","- C124 H75 Co9 N56 O28 W6 -","- C248 H150 Co18 N112 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71073","MoKα","","0.0652","0.0517","","","0.1376","0.1586","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513324","16.8892","0.0007","30.019","0.0012","18.7067","0.0009","90","","113.36","0.001","90","","8706.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 Co9 N56 O28 W6 -","- C124 H75 Co9 N56 O28 W6 -","- C248 H150 Co18 N112 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","","0.71075","MoKα","","0.1315","0.0684","","","0.1373","0.1836","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513325","16.831","0.0007","29.8285","0.0011","18.631","0.0008","90","","113.688","0.001","90","","8565.5","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 N56 Ni9 O28 W6 -","- C124 H75 N56 Ni9 O28 W6 -","- C248 H150 N112 Ni18 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71075","MoKα","","0.1259","0.0735","","","0.137","0.1631","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513385","11.5315","0.0009","19.176","0.0015","13.4627","0.0011","90","","98.481","0.003","90","","2944.4","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","(/l,R,R,SN-/l,R,R,SN)-1B","","","- C65 H61 Cl3 N4 O6 Ti2 -","- C65 H61 Cl3 N4 O6 Ti2 -","- C130 H122 Cl6 N8 O12 Ti4 -","2","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1222","0.0657","","","0.1565","0.2103","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513392","10.3943","0.0008","7.7222","0.0005","11.8976","0.001","90","","112.922","0.01","90","","879.57","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.038","0.0348","","","0.085","0.0878","","","","","","1.037","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513393","6.7394","0.0003","7.9886","0.0003","13.3084","0.001","90","","94.308","0.005","90","","714.48","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0628","0.0505","","","0.1105","0.1178","","","","","","1.047","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513394","6.8172","0.0008","7.9216","0.0009","12.594","0.002","90","","103.04","0.016","90","","662.58","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C30 H26 F2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0483","0.0427","","","0.1127","0.1179","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513395","6.7343","0.0004","8.0362","0.0004","12.9186","0.0007","90","","100.314","0.006","90","","687.83","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C30 H26 Cl2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0329","0.0307","","","0.0782","0.0801","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513396","6.7098","0.0004","8.0495","0.0004","13.1003","0.0008","90","","98.867","0.006","90","","699.1","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C30 H26 Br2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.052","0.0446","","","0.1099","0.1178","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513397","6.7108","0.0004","7.9363","0.0004","13.241","0.0008","90","","98.269","0.006","90","","697.87","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.045","0.0397","","","0.0924","0.0967","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513398","6.974","0.0003","7.8282","0.0003","12.5581","0.0006","90","","105.511","0.005","90","","660.63","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C30 H26 F2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0324","0.0303","","","0.0753","0.0773","","","","","","0.95","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513411","8.2225","0.0004","5.7932","0.0003","14.5687","0.0006","90","","90.377","0.004","90","","693.96","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0321","0.0309","","","0.0802","0.0813","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513412","8.3299","0.0003","5.7214","0.0002","17.5391","0.0005","90","","91.143","0.003","90","","835.72","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0352","0.0329","","","0.0873","0.0892","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513413","8.6581","0.0007","5.1375","0.0003","15.7993","0.001","90","","100.982","0.007","90","","689.9","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0478","0.0427","","","0.1119","0.1221","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513440","10.202","0.004","7.487","0.003","11.933","0.005","90","","100.922","0.007","90","","895","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.0716","0.0363","","","0.0556","0.0618","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513461","9.5379","0.0012","5.7387","0.0007","12.5211","0.0018","90","","109.146","0.015","90","","647.44","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1264","0.053","","","0.0936","0.1258","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513470","10.9623","0.0008","5.8715","0.0003","12.0212","0.0009","90","","116.754","0.009","90","","690.91","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C28 H26 N6 O6 S2 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0282","0.0258","","","0.0658","0.0678","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513483","8.9345","0.0005","11.4411","0.0006","8.9682","0.0005","90","","102.958","0.0012","90","","893.39","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 Br N2 Na O3 -","- C17 H20 Br N2 Na O3 -","- C34 H40 Br2 N4 Na2 O6 -","2","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0157","0.0151","","","0.0348","0.035","","","","","","1.101","","","","has coordinates","154585","2020-10-21","18:00:00",""
"4513488","6.4078","0.0003","10.1634","0.0005","10.1735","0.0005","90","","106.246","0.002","90","","636.09","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O7 Zn -","- C10 H11 N O7 Zn -","- C20 H22 N2 O14 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0285","0.0271","","","0.0689","0.0697","","","","","","1.132","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513496","13.2928","0.0006","6.57","0.0003","13.6461","0.0009","90","","119.069","0.003","90","","1041.64","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","1","0.5","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0468","0.0399","","","0.0905","0.1006","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513524","7.5555","0.0002","18.9892","0.0004","11.4893","0.0003","90","","99.658","0.003","90","","1625.04","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O23.5 Zn4 -","- C22 H14 O23.5 Zn4 -","- C44 H28 O47 Zn8 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0377","0.0354","","","0.1142","0.1165","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513525","7.5428","0.0002","18.9688","0.0005","11.5038","0.0004","90","","99.632","0.003","90","","1622.74","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O23.5 Zn4 -","- C22 H14 O23.5 Zn4 -","- C44 H28 O47 Zn8 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0416","0.0381","","","0.1195","0.1234","","","","","","0.989","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513526","9.4464","0.0003","26.2464","0.0008","9.7686","0.0003","90","","117.108","0.004","90","","2155.91","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H35 Cd3 N4 O14.5 -","- C46 H34 Cd3 N4 O14.5 -","- C92 H68 Cd6 N8 O29 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0365","0.0324","","","0.0857","0.0875","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513527","9.4565","0.001","26.2364","0.0018","9.7671","0.001","90","","117.169","0.014","90","","2155.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H35 Cd3 N4 O14.5 -","- C46 H34 Cd3 N4 O14.5 -","- C92 H68 Cd6 N8 O29 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","1.54178","CuKα","","0.0439","0.0411","","","0.1061","0.1084","","","","","","1.003","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513530","11.3022","0.0005","20.8207","0.0005","12.242","0.0006","90","","116.513","0.005","90","","2577.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H45 Cd4 N8 O20.5 -","- C46 H34 Cd4 N8 O20.5 -","- C92 H68 Cd8 N16 O41 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.036","0.0309","","","0.0728","0.0757","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513531","11.3063","0.0007","20.8442","0.0009","12.2438","0.0009","90","","116.542","0.009","90","","2581.4","0.3","295.93","0.1","295.93","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H45 Cd4 N8 O20.5 -","- C46 H34 Cd4 N8 O20.5 -","- C92 H68 Cd8 N16 O41 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","1.54178","CuKα","","0.0495","0.0459","","","0.1231","0.1266","","","","","","0.991","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513592","16.9144","0.0006","29.9433","0.0009","18.654","0.0005","90","","113.636","0.001","90","","8655.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 N56 Ni9 O28 W6 -","- C124 H75 N56 Ni9 O28 W6 -","- C248 H150 N112 Ni18 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71075","MoKα","","0.0722","0.0515","","","0.1097","0.1226","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513611","6.0364","0.0009","17.033","0.003","10.4225","0.0016","90","","102.271","0.003","90","","1047.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0538","0.0395","","","0.0933","0.1006","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513667","7.3145","0.0012","12.604","0.0014","12.3506","0.0019","90","","106.747","0.016","90","","1090.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 I N2 -","- C25 H27 I N2 -","- C50 H54 I2 N4 -","2","1","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.0314","0.026","","","0.0551","0.0568","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513668","12.3912","0.0015","7.216","0.0008","16.781","0.002","90","","92.145","0.011","90","","1499.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 I N2 O S -","- C29 H45 I N2 O S -","- C29 H45 I N2 O S -","1","0.5","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.0715","0.0591","","","0.1677","0.1813","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513691","13.4617","0.0003","19.9956","0.0003","17.2734","0.0003","90","","110.777","0.002","90","","4347.19","0.15","99.99","0.18","99.99","0.18","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H77 Cd3 N10 O15 -","- C80 H77 Cd3 N10 O15 -","- C160 H154 Cd6 N20 O30 -","2","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0493","0.047","","","0.1209","0.1239","","","","","","1.051","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513692","15.081","0.0005","14.538","0.0004","17.935","0.0005","90","","95.951","0.003","90","","3911","0.2","100","0.16","100","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 Cd3 N10 O15 -","- C64 H48 Cd3 N10 O15 -","- C128 H96 Cd6 N20 O30 -","2","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0594","0.0554","","","0.1465","0.1504","","","","","","1.065","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513706","10.0451","0.0005","8.6712","0.0005","12.9992","0.0007","90","","102.513","0.006","90","","1105.38","0.11","294.9","0.3","294.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C46 H60 N4 O14 -","2","1","","Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid","Crystal Growth & Design","2016","16","1","307","","10.1021/acs.cgd.5b01254","","x-ray","0.71073","MoKα","","0.0438","0.0397","","","0.0872","0.0899","","","","","","1.051","","","","has coordinates,has disorder","175772","2020-10-21","18:00:00",""
"4513707","10.6543","0.001","8.4144","0.0007","13.5321","0.0011","90","","112.765","0.01","90","","1118.64","0.19","294.8","0.3","294.8","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C46 H60 N4 O14 -","2","1","","Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid","Crystal Growth & Design","2016","16","1","307","","10.1021/acs.cgd.5b01254","","x-ray","0.71073","MoKα","","0.0488","0.0434","","","0.0991","0.1028","","","","","","1.08","","","","has coordinates","175772","2020-10-21","18:00:00",""
"4513732","14.3719","0.0008","11.6958","0.0005","14.695","0.003","90","","94.89","0.008","90","","2461.1","0.5","100.3","","100.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H85 N3 O15 -","- C45 H85 N3 O15 -","- C90 H170 N6 O30 -","2","1","","Liang, Zuozhong; Wang, Yuan; Wang, Wei; Han, Xianglong; Chen, Jian-Feng; Xue, Chunyu; Zhao, Hong","Structural Correspondence of the Oriented Attachment Growth Mechanism of Crystals of the Pharmaceutical Dirithromycin.","Langmuir : the ACS journal of surfaces and colloids","2015","31","51","13802","13812","10.1021/acs.langmuir.5b02901","","","0.7107","MoKα","","0.06","0.051","","","0.1134","0.1201","","","","","","1.019","","","","has coordinates","173601","2020-10-21","18:00:00",""
"4513741","12.2626","0.0003","7.2788","0.0002","12.3394","0.0003","90","","104.51","0.002","90","","1066.25","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.57 H21.14 Cl1.13 N2 O2 -","- C25.568 H21.136 Cl1.136 N2 O2 -","- C51.136 H42.272 Cl2.272 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54184","CuKα","","0.0477","0.0383","","","0.0839","0.0882","","","","","","1.057","","","","has coordinates,has disorder","175758","2020-10-21","18:00:00",""
"4513746","11.035","0.0008","6.9","0.0005","11.373","0.002","90","","115.012","0.004","90","","784.75","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","MoKα","","0.0905","0.0776","","","0.2197","0.2324","","","","","","1.07","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513747","7.91984","0.00013","7.77745","0.00013","16.8551","0.0003","90","","101.445","0.0017","90","","1017.57","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 F5 N4 O2 -","- C22 H13 F5 N4 O2 -","- C44 H26 F10 N8 O4 -","2","1","","Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex","ACS Catalysis","2016","6","2","589","","10.1021/acscatal.5b02178","","x-ray","1.54184","CuKα","","0.0555","0.0502","","","0.135","0.1418","","","","","","1.042","","","","has coordinates","177379","2020-10-21","18:00:00",""
"4513749","5.9234","0.0003","17.5385","0.0009","11.7578","0.0005","90","","95.5438","0.0011","90","","1215.78","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C60 H50 N2 O6 S2 -","2","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.034","0.0321","","","0.0872","0.0888","","","","","","1.056","","","","has coordinates","175759","2020-10-21","18:00:00",""
"4513752","7.6084","0.0002","6.4312","0.0002","11.7689","0.0003","90","","103.627","0.001","90","","559.66","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","ken4-150-3","toste80","","- C12 H15 F N2 O -","- C12 H15 F N2 O -","- C24 H30 F2 N4 O2 -","2","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0258","0.0255","","","0.0685","0.0687","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513793","15.3957","0.0013","31.578","0.003","17.2918","0.0015","90","","111.265","0.001","90","","7834.3","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H44 O5.5 P -","- C43 H44 O5.5 P -","- C344 H352 O44 P8 -","8","4","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0675","0.0503","","","0.1259","0.1336","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513801","11.6562","0.0003","21.5144","0.0004","16.1302","0.0003","90","","102.368","0.0007","90","","3951.19","0.15","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O -","- C23 H21 F2 N O -","- C184 H168 F16 N8 O8 -","8","4","","Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro","Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls","ACS Catalysis","2016","6","2","1198","","10.1021/acscatal.5b02136","","","0.71075","MoKα","","0.0739","0.038","","","0.0823","0.1048","","","","","","1.097","","","","has coordinates","177382","2020-10-21","18:00:00",""
"4513806","8.6051","0.0005","8.456","0.0004","18.6229","0.001","90","","96.947","0.002","90","","1345.14","0.12","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Fe P S -","- C31 H33 Fe P S -","- C62 H66 Fe2 P2 S2 -","2","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis","ACS Catalysis","2016","6","2","1308","","10.1021/acscatal.5b02692","","","0.71075","MoKα","","0.1841","0.097","","","0.1566","0.1916","","","","","","1.082","","","","has coordinates","177381","2020-10-21","18:00:00",""
"4513815","8.6937","0.0001","8.2505","0.0001","9.8923","0.0002","90","","96.8229","0.0007","90","","704.524","0.019","","","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K.","Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion.","ACS catalysis","2016","6","3","1921","1928","10.1021/acscatal.5b02603","","","0.71073","MoKα","","0.0346","0.0324","","","0.0887","0.0913","","","","","","1.0952","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513846","10.5879","0.0002","4.8182","0.0001","13.6534","0.0002","90","","96.876","0.002","90","","691.51","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C36 H32 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0464","0.0444","","","0.1219","0.125","","","","","","1.061","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513847","10.5044","0.0002","4.7708","0.0001","13.7318","0.0003","90","","97.605","0.002","90","","682.11","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0796","0.0807","","","","","","1.068","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513853","11.7189","0.001","12.5863","0.0011","16.7721","0.0014","90","","99.602","0.002","90","","2439.2","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H38 Br Fe N3 O P2 -","- C20 H38 Br Fe N3 O P2 -","- C80 H152 Br4 Fe4 N12 O4 P8 -","4","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0324","0.0334","","","","1.23","1.23","1.17","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513871","9.8601","0.00019","17.3729","0.0003","10.9482","0.0003","90","","111.164","0.002","90","","1748.92","0.07","290.85","0.1","290.85","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 B N O2 -","- C19 H26 B N O2 -","- C76 H104 B4 N4 O8 -","4","2","","Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen","Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters","ACS Catalysis","2016","6","5","3381","","10.1021/acscatal.6b00719","","x-ray","1.54184","CuKα","","0.0486","0.0477","","","0.127","0.1284","","","","","","1.03","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513875","12.678","0.001","18.461","0.002","18.603","0.001","90","","101.706","0.007","90","","4263.4","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H73 N O11 -","- C43 H73 N O11 -","- C172 H292 N4 O44 -","4","2","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.1631","0.0638","","","0.0859","0.1029","","","","","","0.755","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513876","10.5145","0.0005","17.8712","0.0006","12.8433","0.0007","90","","114.07","0.007","90","","2203.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H73 N O11 -","- C43 H73 N O11 -","- C86 H146 N2 O22 -","2","1","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.1186","0.0659","","","0.087","0.1029","","","","","","1.049","","","","has coordinates","184926","2020-10-21","18:00:00",""
"4513892","8.6635","0.0005","9.8107","0.0003","9.9624","0.0006","90","","92.613","0.003","90","","845.87","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12.5 H20.5 Cl N3.5 O2 Si -","- C12.5 H20.5 Cl N3.5 O2 Si -","- C25 H41 Cl2 N7 O4 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0442","0.0428","","","0.1278","0.1294","","","","","","1.102","","","","has coordinates,has disorder","183482","2020-10-21","18:00:00",""
"4513894","8.5953","0.0008","8.5523","0.0004","11.7943","0.0011","90","","92.704","0.004","90","","866.03","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 Si -","- C19 H23 N3 Si -","- C38 H46 N6 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0699","0.059","","","0.1521","0.1584","","","","","","1.121","","","","has coordinates,has disorder","183482","2020-10-21","18:00:00",""
"4513926","9.48","0.004","5.679","0.002","19.061","0.007","90","","100.77","0.009","90","","1008.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C42 H40 Cl2 N6 O8 -","2","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.1213","0.0855","","","0.2099","0.2354","","","","","","0.982","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513938","9.842","0.0019","11.556","0.002","9.8592","0.0019","90","","97.807","0.003","90","","1110.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl O2 -","- C25 H31 Cl O2 -","- C50 H62 Cl2 O4 -","2","1","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0338","0.0326","","","0.082","0.0828","","","","","","1.046","","","","has coordinates","187878","2020-10-21","18:00:00",""
"4513939","10.9646","0.0006","16.3287","0.0009","11.9006","0.0007","90","","110.493","0.002","90","","1995.8","0.2","102","2","102","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1b)](BF4)2 (8b)","","","- C39 H46 B2 F8 Fe N4 P2 -","- C39 H46 B2 F8 Fe N4 P2 -","- C78 H92 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0743","0.0527","","","0.1166","0.1272","","","","","","1.022","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513946","9.419","0.0008","8.8409","0.0005","11.6624","0.0011","90","","112.966","0.01","90","","894.18","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Zhang, Heyi; Lu, Zhan","Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes","ACS Catalysis","2016","6","10","6596","","10.1021/acscatal.6b02278","","","1.54184","CuKα","","0.0596","0.0479","","","0.1239","0.1407","","","","","","1.039","","","","has coordinates","187887","2020-10-21","18:00:00",""
"4513951","9.586","0.004","12.006","0.005","18.204","0.009","90","","96.216","0.011","90","","2082.8","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H55 Cl N4 Ni O0 -","- C40 H55 Cl N4 Ni -","- C80 H110 Cl2 N8 Ni2 -","2","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0865","0.0676","","","0.1662","0.1771","","","","","","1.002","","","","has coordinates,has disorder","187882","2020-10-21","18:00:00",""
"4513958","8.8773","0.0008","7.1193","0.0004","14.0576","0.0011","90","","103.929","0.008","90","","862.32","0.12","295","2","295.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C32 H30 Br2 O8 S2 -","2","1","","Tan, Fei; Liu, Xiaohua; Hao, Xiaoyu; Tang, Yu; Lin, Lili; Feng, Xiaoming","Asymmetric Catalytic Insertion of α-Diazo Carbonyl Compounds into O‒H Bonds of Carboxylic Acids","ACS Catalysis","2016","","","6930","","10.1021/acscatal.6b02184","","x-ray","0.71073","MoKα","","0.0584","0.0406","","","0.065","0.072","","","","","","1.001","","","","has coordinates","186660","2020-10-21","18:00:00",""
"4513975","9.6991","0.0008","9.587","0.0007","13.7942","0.0013","90","","105.113","0.009","90","","1238.29","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 S -","- C11 H13 Br O2 S -","- C44 H52 Br4 O8 S4 -","4","2","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.1015","0.0584","","","0.0994","0.1177","","","","","","1.01","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513976","5.4678","0.0005","8.6283","0.0004","18.6625","0.001","90","","91.41","0.007","90","","880.19","0.1","269.85","0.1","269.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.0749","0.0464","","","0.0963","0.11","","","","","","1.028","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513977","8.8973","0.0003","6.9477","0.0003","12.2822","0.0005","90","","100.56","0.004","90","","746.37","0.05","293.28","0.1","293.28","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C32 H30 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","1.54184","CuKα","","0.07","0.0692","","","0.1778","0.1792","","","","","","1.083","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4514008","9.0973","0.0002","8.2011","0.0002","22.9008","0.0006","90","","99.357","0.001","90","","1685.85","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 N O3 S -","- C17 H24 N O3 S -","- C68 H96 N4 O12 S4 -","4","2","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0359","0.0343","","","0.0915","0.0932","","","","","","1.034","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4514039","12.3621","0.00005","45.6111","0.0002","12.6667","0.00005","90","","97.7659","0.0003","90","","7076.6","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 H30 F5 N2 P -","- C352 H240 F40 N16 P8 -","8","4","","Rokade, Balaji V.; Guiry, Patrick J.","Diastereofacial π-Stacking as an Approach To Access an Axially Chiral P,N-Ligand for Asymmetric Catalysis","ACS Catalysis","2017","","","2334","","10.1021/acscatal.6b03427","","","1.54184","CuKα","","0.0301","0.0288","","","0.0726","0.0737","","","","","","1.011","","","","has coordinates","192492","2020-10-21","18:00:00",""
"4514040","7.20833","0.00016","12.3392","0.0003","14.6278","0.0005","90","","93.647","0.002","90","","1298.44","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl6 N O5 V -","- C24 H18 Cl6 N O5 V -","- C48 H36 Cl12 N2 O10 V2 -","2","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.7107","MoKα","","0.0328","0.0269","","","0.0609","0.063","","","","","","0.947","","","","has coordinates","196107","2020-10-21","18:00:00",""
"4514051","12.37","0.0004","45.6483","0.0014","12.6634","0.0004","90","","97.6938","0.0009","90","","7086.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 F5 N2 P -","- C88 F10 N4 P2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis","ACS Catalysis","2017","7","3","2133","","10.1021/acscatal.7b00133","","","0.71073","MoKα","","0.0551","0.0403","","","0.0835","0.0873","","","","","","0.959","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514085","10.0098","0.0005","19.235","0.001","13.3175","0.0007","90","","91.572","0.002","90","","2563.2","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 F2 N O5 -","- C34 H23 F2 N O5 -","- C136 H92 F8 N4 O20 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0465","0.0462","","","0.1216","0.1219","","","","","","1.08","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514113","10.8621","0.0006","5.3971","0.0003","18.8997","0.001","90","","93.336","0.004","90","","1106.1","0.1","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 -","- C26.006 H23.005 N O6 -","- C52.012 H46.01 N2 O12 -","2","1","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","1.54178","CuKα","","0.1002","0.0785","","","0.1846","0.2047","","","","","","1.016","","","","has coordinates,has disorder","195924","2020-10-21","18:00:00",""
"4514114","9.494","0.005","10.567","0.006","10.951","0.006","90","","97.678","0.005","90","","1088.8","1","298","2","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H0 N19 O27 -","- C52 H44 N4 O8 -","- C52 H44 N4 O8 -","1","0.5","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","0.71","MoKα","","0.0852","0.0635","","","0.1624","0.1762","","","","","","1.036","","","","has coordinates","195925","2020-10-21","18:00:00",""
"4514115","9.04501","0.00007","9.77593","0.00009","25.19795","0.00017","90","","92.5278","0.0007","90","","2225.92","0.03","175","","175","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H61 N O10 S Si -","- C44 H61 N O10 S Si -","- C88 H122 N2 O20 S2 Si2 -","2","1","","Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives","ACS Catalysis","2017","7","6","3934","","10.1021/acscatal.7b00787","","x-ray","1.54184","CuKα","","0.0547","0.0532","","","0.1373","0.1394","","","","","","1.032","","","","has coordinates","197391","2020-10-21","18:00:00",""
"4514116","9.975","0.0002","8.9417","0.0002","12.2426","0.0003","90","","101.043","0.001","90","","1071.74","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N O5 -","- C24 H24 Cl N O5 -","- C48 H48 Cl2 N2 O10 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Aldol-Lactonization of Ketoacids via Dynamic Kinetic Resolution","ACS Catalysis","2017","","","3995","","10.1021/acscatal.7b00681","","","1.54178","CuKα","","0.0224","0.0223","","","0.0572","0.0573","","","","","","1.036","","","","has coordinates","196626","2020-10-21","18:00:00",""
"4514117","13.226","0.003","6.2835","0.0015","13.615","0.003","90","","92.018","0.007","90","","1130.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Design and Enantioselective Synthesis of β-Vinyl Tryptamine Building Blocks for Construction of Privileged Chiral Indole Scaffolds","ACS Catalysis","2017","","","4047","","10.1021/acscatal.7b00870","","","0.71073","MoKα","","0.0453","0.0384","","","0.1038","0.1065","","","","","","1.067","","","","has coordinates","196675","2020-10-21","18:00:00",""
"4514129","6.4162","0.0013","19.016","0.004","11.412","0.002","90","","92.9","0.03","90","","1390.6","0.5","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","Barium hydrogen maleate","","","- C16 H28 Ba2 O24 -","- C16 H28 Ba2 O24 -","- C32 H56 Ba4 O48 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0429","0.0359","","0.027","0.0229","0.0223","","","","","","0.9996","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514132","7.8515","0.0016","5.5447","0.0011","10.921","0.002","90","","96.39","0.03","90","","472.48","0.16","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0336","0.0274","","0.0229","0.021","0.0209","","","","","","0.9991","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514139","14.93","0.002","11.5659","0.0017","15.258","0.0019","90","","101.808","0.004","90","","2579","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","2","","Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain","Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives","ACS Catalysis","2017","7","5","3410","","10.1021/acscatal.7b00511","","","1.54178","CuKα","","0.055","0.0514","","","0.1412","0.145","","","","","","1.047","","","","has coordinates","197208","2020-10-21","18:00:00",""
"4514141","9.035","0.002","5.7594","0.0015","13.277","0.003","90","","100.891","0.007","90","","678.4","0.3","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.71073","MoKα","","0.0544","0.042","","","0.0989","0.1056","","","","","","1.05","","","","has coordinates","197210","2020-10-21","18:00:00",""
"4514155","13.4096","0.0004","5.2499","0.0002","16.501","0.0006","90","","106.995","0.002","90","","1110.93","0.07","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Br2 F N O -","- C25 H22 Br2 F N O -","- C50 H44 Br4 F2 N2 O2 -","2","1","","Arimitsu, Satoru; Yonamine, Tsunaki; Higashi, Masahiro","Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals","ACS Catalysis","2017","","","4736","","10.1021/acscatal.7b01178","","","1.54187","CuKα","","0.11","0.0698","","","0.1417","0.1749","","","","","","1.141","","","","has coordinates,has disorder","197941","2020-10-21","18:00:00",""
"4514157","12.4654","0.0002","14.3184","0.0003","14.1523","0.0003","90","","93.932","0.001","90","","2520.02","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 Cu N2 O2 -","- C28 H34 Cu N2 O2 -","- C112 H136 Cu4 N8 O8 -","4","2","","Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.","ACS combinatorial science","2017","19","6","386","396","10.1021/acscombsci.7b00027","","","0.71073","MoKα","","0.0719","0.0455","","","0.1307","0.1711","","","","","","1.161","","","","has coordinates","198342","2020-10-21","18:00:00",""
"4514158","7.1346","0.0003","14.8376","0.0006","15.0064","0.0006","90","","98.492","0.002","90","","1571.17","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 Cl3 O4 -","- C14 H13 Cl3 O4 -","- C56 H52 Cl12 O16 -","4","2","","Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric","Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex","ACS Catalysis","2017","7","8","5151","","10.1021/acscatal.7b01296","","","0.71073","MoKα","","0.0292","0.0249","","","0.0525","0.0539","","","","","","1.036","","","","has coordinates","200649","2020-10-21","18:00:00",""
"4514162","8.7152","0.0003","13.5902","0.0004","8.7625","0.0003","90","","100.507","0.003","90","","1020.44","0.06","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0893","0.0912","","","","","","1.033","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514192","5.172","0.008","27.15","0.04","9.752","0.014","90","","95.2","0.03","90","","1364","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H40 N2 O5 -","- C58 H80 N4 O10 -","2","1","","Misra, Rajkumar; Sharma, Aman; Shiras, Anjali; Gopi, Hosahudya N.","Backbone Engineered γ-Peptide Amphitropic Gels for Immobilization of Semiconductor Quantum Dots and 2D Cell Culture.","Langmuir : the ACS journal of surfaces and colloids","2017","33","31","7762","7768","10.1021/acs.langmuir.7b01283","","","0.71073","MoKα","","0.1692","0.071","","","0.1549","0.2142","","","","","","0.898","","","","has coordinates","200482","2020-10-21","18:00:00",""
"4514219","8.8663","0.0006","12.7576","0.0008","9.7375","0.0006","90","","112.848","0.002","90","","1015.01","0.11","153","","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl F4 Mg O3 -","- C18 H25 Cl F4 Mg O3 -","- C36 H50 Cl2 F8 Mg2 O6 -","2","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0443","0.0403","","","0.1059","0.1097","","","","","","1.05","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514239","6.468","0.002","24.149","0.009","12.121","0.004","90","","101.11","0.016","90","","1857.8","1.1","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 -","- C20 H25 B O3 -","- C80 H100 B4 O12 -","4","2","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.116","0.0839","","","0.1856","0.2079","","","","","","0.958","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514258","15.1669","0.0013","15.1542","0.0013","32.47","0.003","90","","99.162","0.004","90","","7367.8","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H123 N17 O29 Zn4 -","- C102 H123 N17 O29 Zn4 -","- C204 H246 N34 O58 Zn8 -","2","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.0858","0.058","","","0.1264","0.1365","","","","","","1.027","","","","has coordinates","202550","2020-10-21","18:00:00",""
"4514277","12.974","0.003","41.124","0.008","16.447","0.003","90","","98.2","0.03","90","","8685","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H137 N11 O33 -","- C64 H111 N11 O33 -","- C256 H444 N44 O132 -","4","2","","Götze, Sebastian; Herbst-Irmer, Regine; Klapper, Martin; Görls, Helmar; Schneider, Kilian R. A.; Barnett, Robert; Burks, Thomas; Neu, Ursula; Stallforth, Pierre","Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin.","ACS chemical biology","2017","12","10","2498","2502","10.1021/acschembio.7b00589","","","0.89429","","","0.1193","0.0921","","","0.2511","0.2766","","","","","","1.034","","","","has coordinates,has disorder","202573","2020-10-21","18:00:00",""
"4514296","12.9758","0.0005","7.5976","0.0003","16.6409","0.0009","90","","95.664","0.004","90","","1632.53","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H38 N2 O8 -","- C34 H38 N2 O8 -","- C68 H76 N4 O16 -","2","1","","Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli","Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.","ACS nano","2017","11","12","11880","11889","10.1021/acsnano.7b06097","","","1.54184","CuKα","","0.0354","0.033","","","0.0874","0.09","","","","","","1.036","","","","has coordinates","204780","2020-10-21","18:00:00",""
"4514297","12.7269","0.0006","7.587","0.0003","16.475","0.0007","90","","95.706","0.004","90","","1582.93","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H38 N2 O8 -","- C34 H38 N2 O8 -","- C68 H76 N4 O16 -","2","1","","Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli","Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.","ACS nano","2017","11","12","11880","11889","10.1021/acsnano.7b06097","","","1.54184","CuKα","","0.0437","0.0377","","","0.0951","0.101","","","","","","1.087","","","","has coordinates","204780","2020-10-21","18:00:00",""
"4514316","15.348","0.007","11.244","0.004","17.721","0.007","90","","102.716","0.009","90","","2983","2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-Ar2-BINSA calcium(II) salt","","","- C60 H48 Ca O10 S2 -","- C60 H48 Ca O10 S2 -","- C120 H96 Ca2 O20 S4 -","2","1","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.1374","0.0797","","","0.1955","0.216","","","","","","0.872","","","","has coordinates","206118","2020-10-21","18:00:00",""
"4514319","11.764","0.003","17.436","0.004","26.079","0.007","90","","91.389","0.006","90","","5348","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H114 O11 Rh2 -","- C124 H114 O11 Rh2 -","- C248 H228 O22 Rh4 -","2","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","","0.71073","MoKα","","0.1395","0.0987","","","0.1964","0.2181","","","","","","1.104","","","","has coordinates","206116","2020-10-21","18:00:00",""
"4514324","5.7745","0.0004","15.6042","0.0012","16.0104","0.0012","90","","94.458","0.001","90","","1438.28","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 F O2 -","- C18 H17 F O2 -","- C72 H68 F4 O8 -","4","2","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0577","0.043","","","0.1075","0.1154","","","","","","1.054","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514326","18.1462","0.0018","7.5224","0.0007","22.412","0.002","90","","92.604","0.005","90","","3056.1","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0886","0.0461","","","0.0804","0.0917","","","","","","1.024","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514327","6.1963","0.0006","13.8442","0.0013","8.5199","0.0009","90","","101.713","0.005","90","","715.64","0.12","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 F N O2 S -","- C14 H18 F N O2 S -","- C28 H36 F2 N2 O4 S2 -","2","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0312","0.0279","","","0.0673","0.0691","","","","","","1.028","","","","has coordinates,has disorder","206131","2020-10-21","18:00:00",""
"4514341","9.722","0.002","6.1683","0.0014","19.747","0.004","90","","102.561","0.004","90","","1155.8","0.4","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F N2 O7 Se -","- C25 H21 F N2 O7 Se -","- C50 H42 F2 N4 O14 Se2 -","2","1","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.0347","0.0319","","","0.0691","0.0702","","","","","","1","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514343","6.7417","0.0005","22.7327","0.0016","16.9277","0.0011","90","","101.477","0.002","90","","2542.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O4 Se -","- C18 H18 F2 O4 Se -","- C108 H108 F12 O24 Se6 -","6","3","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.026","0.0228","","","0.0457","0.0478","","","","","","1.055","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514346","16.074","0.003","19.166","0.004","16.17","0.003","90","","113.805","0.004","90","","4557.8","1.5","100","0.5","100","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","jonnk11","","","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C190 H288 Br4 Cl12 Mn4 N4 O8 P8 -","4","2","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0735","0.0465","","","0.0832","0.0931","","","","","","1.014","","","","has coordinates","206120","2020-10-21","18:00:00",""
"4514351","20.0688","0.0003","9.57471","0.00012","21.8114","0.0003","90","","113.315","0.0018","90","","3848.9","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","4","","Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo","Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis","ACS Catalysis","2018","8","2","1062","","10.1021/acscatal.7b03788","","","0.7107","MoKα","","0.0722","0.0503","","","0.1298","0.1462","","","","","","0.99","","","","has coordinates,has disorder","206124","2020-10-21","18:00:00",""
"4514382","8.8134","0.0003","9.1977","0.0003","10.6394","0.0004","90","","94.6009","0.0017","90","","859.68","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","AGC236","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0491","0.0372","","","0.0928","0.108","","","","","","1.107","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514387","11.693","0.004","6.314","0.002","15.57","0.005","90","","103.875","0.006","90","","1116","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O -","- C26 H24 Br N O -","- C52 H48 Br2 N2 O2 -","2","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0821","0.0417","","","0.0956","0.1107","","","","","","0.924","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514406","11.6182","0.0003","17.9333","0.0002","12.329","0.0002","90","","115.788","0.002","90","","2312.95","0.08","150","0.1","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H49 Cl2 I O2 P2 Pd -","- C52 H49 Cl2 I O2 P2 Pd -","- C104 H98 Cl4 I2 O4 P4 Pd2 -","2","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","","1.54184","CuKα","","0.0588","0.0586","","","0.1576","0.1578","","","","","","1.051","","","","has coordinates","223175","2020-10-21","18:00:00",""
"4514632","12.5451","0.0002","25.5594","0.0004","15.6511","0.0003","90","","110.747","0.002","90","","4693.02","0.15","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H43.5 O4.75 -","- C24 H43.25 O4.75 -","- C192 H346 O38 -","8","4","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0522","0.0492","","","0.1236","0.1257","","","","","","1.099","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514638","11.5035","0.0002","10.7831","0.0002","13.3149","0.0002","90","","110.777","0.002","90","","1544.22","0.05","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H36 Fe N O3 P S -","- C34 H36 Fe N O3 P S -","- C68 H72 Fe2 N2 O6 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.073","0.0657","","","0.1623","0.1673","","","","","","1.036","","","","has coordinates","219821","2020-10-21","18:00:00",""
"4514640","10.5036","0.0004","11.7796","0.0004","15.6619","0.0006","90","","106.748","0.004","90","","1855.62","0.12","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.074","0.0591","","","0.1464","0.1567","","","","","","0.998","","","","has coordinates","219823","2020-10-21","18:00:00",""
"4514655","8.1162","0.0007","11.0214","0.0009","10.5496","0.0008","90","","91.17","0.002","90","","943.48","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 S -","- C18 H23 N O6 S -","- C36 H46 N2 O12 S2 -","2","1","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.1036","0.0502","","","0.0886","0.1054","","","","","","1.024","","","","has coordinates","219833","2020-10-21","18:00:00",""
"4514667","9.89","0.003","9.938","0.003","18.564","0.005","90","","101.954","0.004","90","","1785","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 Br F3 N2 O3 -","- C18 H14 Br F3 N2 O3 -","- C72 H56 Br4 F12 N8 O12 -","4","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0449","0.0364","","","0.075","0.0792","","","","","","0.893","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514679","11.3502","0.0004","7.45","0.0002","20.6376","0.0006","90","","91.376","0.003","90","","1744.59","0.09","100.03","0.15","100.03","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 B Br N O2 -","- C17 H21 B Br N O2 -","- C68 H84 B4 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0536","0.0407","","","0.0861","0.0894","","","","","","1.051","","","","has coordinates","219856","2020-10-21","18:00:00",""
"4514680","14.62776","0.00018","8.05742","0.0001","15.00218","0.00018","90","","97.0979","0.0012","90","","1754.64","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","1.54184","CuKα","","0.0359","0.0322","","","0.0875","0.0942","","","","","","1.063","","","","has coordinates","219857","2020-10-21","18:00:00",""
"4514681","9.8268","0.0005","5.6439","0.0003","9.8652","0.0005","90","","99.353","0.005","90","","539.86","0.05","99.95","0.17","99.95","0.17","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 I0.96 N O -","- C11 H10 I0.96 N O -","- C22 H20 I1.92 N2 O2 -","2","1","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.2182","0.2365","","","","","","1.228","","","","has coordinates","219858","2020-10-21","18:00:00",""
"4514736","9.1154","0.0003","9.7854","0.0003","14.6304","0.0005","90","","96.443","0.004","90","","1296.76","0.07","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H37 N3 O4 Si -","- C22 H37 N3 O4 Si -","- C44 H74 N6 O8 Si2 -","2","1","","Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng","Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)‒H Silylation","ACS Catalysis","2019","9","4","3298","","10.1021/acscatal.9b00544","","","1.54184","CuKα","","0.0593","0.0526","","","0.1367","0.1478","","","","","","1.039","","","","has coordinates","219901","2020-10-21","18:00:00",""
"4514746","6.5323","0.0002","24.418","0.0006","9.191","0.0002","90","","104.387","0.001","90","","1420.04","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 B N3 O4 -","- C31 H38 B N3 O4 -","- C62 H76 B2 N6 O8 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0483","0.0398","","","0.0878","0.0923","","","","","","1.045","","","","has coordinates","219906","2020-10-21","18:00:00",""
"4514748","6.3743","0.0001","23.6017","0.0006","9.0486","0.0002","90","","101.68","0.002","90","","1333.12","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0255","0.0248","","","0.0607","0.0611","","","","","","1.035","","","","has coordinates","219908","2020-10-21","18:00:00",""
"4514752","4.7773","0.0019","16.685","0.007","6.289","0.003","90","","104.66","0.01","90","","485","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Sawano, Takahiro; Yamamoto, Hisashi","Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex","ACS Catalysis","2019","9","4","3384","","10.1021/acscatal.9b00840","","","0.71075","MoKα","","0.0372","0.0336","","","0.0733","0.0755","","","","","","1.004","","","","has coordinates","219912","2020-10-21","18:00:00",""
"4514754","11.3963","0.0002","10.25731","0.00018","13.268","0.0002","90","","95.0958","0.0016","90","","1544.84","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N4 O2 -","- C36 H32 Cl2 N4 O2 -","- C72 H64 Cl4 N8 O4 -","2","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0597","0.0578","","","0.1513","0.1547","","","","","","1.025","","","","has coordinates","219914","2020-10-21","18:00:00",""
"4514755","17.546","0.005","6.607","0.002","17.993","0.006","90","","115.207","0.005","90","","1887.2","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","2","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.1411","0.1256","","","0.344","0.3575","","","","","","2.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514761","9.7507","0.0002","13.413","0.0002","12.9181","0.0002","90","","90.316","0.001","90","","1689.48","0.05","170","2","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl2 Co N2 O -","- C16 H18 Cl2 Co N2 O -","- C64 H72 Cl8 Co4 N8 O4 -","4","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0333","0.0291","","","0.0599","0.0615","","","","","","0.992","","","","has coordinates","219921","2020-10-21","18:00:00",""
"4514763","15.7797","0.0004","6.4246","0.0002","18.8309","0.0006","90","","114.711","0.002","90","","1734.23","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 O P -","- C22 H19 O P -","- C88 H76 O4 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","1.54178","CuKα","","0.0466","0.0452","","","0.1129","0.1141","","","","","","1.056","","","","has coordinates","219923","2020-10-21","18:00:00",""
"4514764","10.6041","0.0014","11.5598","0.0016","19.577","0.003","90","","94.744","0.004","90","","2391.6","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 F2 N O2 P -","- C27 H26 F2 N O2 P -","- C108 H104 F8 N4 O8 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.0618","0.0453","","","0.1044","0.1125","","","","","","1.01","","","","has coordinates","219924","2020-10-21","18:00:00",""
"4514766","6.03","0.0002","19.3547","0.0008","9.0029","0.0003","90","","102.453","0.001","90","","1026","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A.","Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination.","ACS catalysis","2019","9","2","1558","1563","10.1021/acscatal.8b04284","","","0.71073","MoKα","","0.0296","0.0279","","","0.0653","0.0664","","","","","","1.162","","","","has coordinates","219926","2020-10-21","18:00:00",""
"4514777","12.1386","0.0012","16.1932","0.0015","15.8018","0.0015","90","","97.546","0.005","90","","3079.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 Dy F9 N4 O17 S3 -","- C46 H76 Dy F9 N4 O17 S3 -","- C92 H152 Dy2 F18 N8 O34 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.056","0.0514","","","0.1334","0.1434","","","","","","1.013","","","","has coordinates","219937","2020-10-21","18:00:00",""
"4514778","12.1823","0.0013","16.5445","0.0019","16.408","0.0019","90","","101.368","0.004","90","","3242.2","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H84 F9 N4 O18 Pr S3 -","- C51 H84 F9 N4 O18 Pr S3 -","- C102 H168 F18 N8 O36 Pr2 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0465","0.0427","","","0.1113","0.1141","","","","","","1.071","","","","has coordinates","219938","2020-10-21","18:00:00",""
"4514790","9.3678","0.0001","6.9408","0.0001","11.2829","0.0001","90","","93.95","0.001","90","","731.872","0.015","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0746","0.0747","","","","","","1.047","","","","has coordinates","219950","2020-10-21","18:00:00",""
"4514800","8.7098","0.0006","8.9173","0.0005","13.0467","0.0009","90","","93.444","0.002","90","","1011.48","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0829","0.0774","","","0.2062","0.2117","","","","","","1.037","","","","has coordinates","219961","2020-10-21","18:00:00",""
"4514802","6.5399","0.0001","23.9124","0.0003","9.103","0.0001","90","","102.293","0.001","90","","1390.93","0.03","294.15","","294.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0471","0.0446","","","0.1313","0.1339","","","","","","1.063","","","","has coordinates","219963","2020-10-21","18:00:00",""
"4514807","7.74658","0.00018","14.0941","0.0003","9.1196","0.0002","90","","108.015","0.003","90","","946.87","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl Rh S -","- C21 H24 Cl Rh S -","- C42 H48 Cl2 Rh2 S2 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0512","0.0508","","","0.1311","0.1319","","","","","","1.034","","","","has coordinates","219968","2020-10-21","18:00:00",""
"4514812","5.5974","0.0005","16.9126","0.0019","19.3211","0.0017","90","","90.056","0.007","90","","1829.1","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","2","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0921","0.0544","","","0.1143","0.1299","","","","","","0.939","","","","has coordinates","219973","2020-10-21","18:00:00",""
"4514813","17.0655","0.0002","17.2352","0.0004","23.1949","0.0003","90","","95.16","0.001","90","","6794.6","0.2","99.99","0.13","99.99","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H84 F3 O31 P4 S Yb2 -","- C93 H84 F3 O31 P4 S Yb2 -","- C186 H168 F6 O62 P8 S2 Yb4 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","0.71073","MoKα","","0.0732","0.0595","","","0.1599","0.1694","","","","","","1.078","","","","has coordinates","219974","2020-10-21","18:00:00",""
"4514818","8.803","0.002","5.4591","0.0011","15.567","0.005","90","","104.94","0.02","90","","722.8","0.3","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O -","- C19 H20 O -","- C38 H40 O2 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","","1.54178","CuKα","","0.0562","0.0506","","","0.1385","0.1466","","","","","","1.182","","","","has coordinates","219979","2020-10-21","18:00:00",""
"4514819","9.7213","0.00019","9.12937","0.00016","12.1367","0.0003","90","","102.827","0.002","90","","1050.24","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dioxoisoindolin-2-yl (1R,2S)-2-(4-chlorophenyl)-1-phenylcyclopropane-1-carboxylate","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C48 H32 Br2 N2 O8 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","x-ray","1.54184","CuKα","","0.0572","0.048","","","0.1226","0.1396","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4514853","11.2","0.002","5.0559","0.0009","11.554","0.002","90","","115.351","0.005","90","","591.25","0.18","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O10 -","- C24 H32 O10 -","- C24 H32 O10 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0439","0.034","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","220014","2020-10-21","18:00:00",""
"4514857","11.03","0.004","5.7133","0.0018","14.591","0.005","90","","92.925","0.009","90","","918.3","0.5","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2-((Anthracen-9-ylmethyl)amino)-2-(4-bromophenyl)acetonitrile","","","- C23 H17 Br N2 -","- C23 H17 Br N2 -","- C46 H34 Br2 N4 -","2","1","","Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions","ACS Catalysis","2019","9","9","8178","","10.1021/acscatal.9b02739","","","0.71075","MoKα","","0.0884","0.0694","","","0.1556","0.1599","","","","","","0.809","","","","has coordinates","220018","2020-10-21","18:00:00",""
"4514866","9.72","0.002","7.5084","0.0018","16.171","0.004","90","","94.588","0.007","90","","1176.4","0.5","120","2","120.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C54 H64 O6 -","2","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.11","0.0554","","","0.1149","0.1346","","","","","","1.064","","","","has coordinates","220027","2020-10-21","18:00:00",""
"4514879","7.3547","0.0003","43.2835","0.0016","8.7345","0.0004","90","","93.821","0.004","90","","2774.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 N O Si -","- C32 H33 N O Si -","- C128 H132 N4 O4 Si4 -","4","2","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.1021","0.0858","","","0.2395","0.2692","","","","","","1.032","","","","has coordinates","220037","2020-10-21","18:00:00",""
"4514882","6.1976","0.0017","17.271","0.005","7.158","0.002","90","","103.688","0.003","90","","744.4","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C34 H30 Cl2 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0284","0.0282","","","0.0719","0.0722","","","","","","1.072","","","","has coordinates","220040","2020-10-21","18:00:00",""
"4514883","11.584","0.0004","7.7058","0.0002","15.1367","0.0005","90","","109.376","0.004","90","","1274.63","0.08","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 Br N2 O5 -","- C30 H25 Br N2 O5 -","- C60 H50 Br2 N4 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0385","0.0364","","","0.0873","0.0886","","","","","","1.053","","","","has coordinates","220041","2020-10-21","18:00:00",""
"4514901","9.27489","0.00012","7.39505","0.0001","16.7947","0.0002","90","","94.7237","0.0012","90","","1148.01","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 O2 P -","- C28 H27 O2 P -","- C56 H54 O4 P2 -","2","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0813","0.0815","","","","","","1.081","","","","has coordinates","220060","2020-10-21","18:00:00",""
"4514914","8.2378","0.0004","8.6386","0.0004","12.0226","0.0006","90","","99.287","0.003","90","","844.35","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0282","0.0276","","","0.0731","0.0738","","","","","","1.043","","","","has coordinates","220075","2020-10-21","18:00:00",""
"4514980","7.5481","0.0002","8.9419","0.0003","7.9881","0.0002","90","","94.066","0.002","90","","537.79","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H17 N5 O4 -","- C7 H17 N5 O4 -","- C14 H34 N10 O8 -","2","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.059","0.0595","","","","","","1.039","","","","has coordinates","220137","2020-10-21","18:00:00",""
"4515088","6.6988","0.0019","34.935","0.009","11.682","0.003","90","","91.942","0.01","90","","2732.3","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C96 H120 Br8 N24 O16 -","8","4","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1808","0.0782","","","0.167","0.2064","","","","","","0.975","","","","has coordinates","220212","2020-10-21","18:00:00",""
"4515101","12.5858","0.0006","20.917","0.0009","14.6932","0.0006","90","","100.695","0.001","90","","3800.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H60 N16 Ni2 O18 S4 -","- C80 H60 N16 Ni2 O18 S4 -","- C160 H120 N32 Ni4 O36 S8 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0717","0.0447","","","0.0628","0.0699","","","","","","1","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515134","10.7899","0.0001","10.6921","0.0001","16.1054","0.0001","90","","91.339","0.001","90","","1857.52","0.03","130","0.1","130","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0759","0.0761","","","","","","1.038","","","","has coordinates,has disorder","220248","2020-10-21","18:00:00",""
"4515135","11.0028","0.0002","6.94336","0.00016","25.5705","0.0005","90","","99.503","0.002","90","","1926.69","0.07","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H60 O -","- C48 H60 O -","- C96 H120 O2 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.043","0.0394","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515138","17.4359","0.0013","7.4145","0.0005","17.9343","0.0011","90","","97.876","0.006","90","","2296.6","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C120 H96 O12 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.1414","0.0995","","","0.2606","0.3057","","","","","","1.023","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515147","16.1257","0.0006","5.0821","0.0002","19.3075","0.0006","90","","97.582","0.002","90","","1568.46","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2a","","","- C14 H24 F N O4 -","- C14 H24 F N O4 -","- C56 H96 F4 N4 O16 -","4","2","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.1062","0.0571","","","0.1104","0.1295","","","","","","1.019","","","","has coordinates,has disorder","220257","2020-10-21","18:00:00",""
"4515149","5.8929","0.0004","9.6349","0.0006","13.2171","0.0009","90","","95.355","0.004","90","","747.16","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","40","","","- C14 H24 N2 O3 -","- C14 H24 N2 O3 -","- C28 H48 N4 O6 -","2","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0489","0.0381","","","0.0788","0.0828","","","","","","1.046","","","","has coordinates","220257","2020-10-21","18:00:00",""
"4515151","5.3076","0.0002","22.0688","0.0009","9.7098","0.0004","90","","103.682","0.001","90","","1105.06","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (IX).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1611","0.0805","","","0.2029","0.2387","","","","","","1.029","","","","has coordinates","220259","2020-10-21","18:00:00",""
"4515153","10.0093","0.0004","5.0606","0.0002","11.3529","0.0004","90","","114.639","0.001","90","","522.7","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (IX).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.0638","0.0509","","","0.14","0.1477","","","","","","1.09","","","","has coordinates","220261","2020-10-21","18:00:00",""
"4515177","14.868","0.002","10.1272","0.0015","31.874","0.004","90","","90.165","0.005","90","","4799.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 N2 O9 Si -","- C53 H62 N2 O9 Si -","- C212 H248 N8 O36 Si4 -","4","2","","Sati, Girish C.; Sarpe, Vikram A.; Furukawa, Takayuki; Mondal, Sujit; Mantovani, Matilde; Hobbie, Sven N.; Vasella, Andrea; Böttger, Erik C; Crich, David","Modification at the 2'-Position of the 4,5-Series of 2-Deoxystreptamine Aminoglycoside Antibiotics To Resist Aminoglycoside Modifying Enzymes and Increase Ribosomal Target Selectivity.","ACS infectious diseases","2019","5","10","1718","1730","10.1021/acsinfecdis.9b00128","","","0.71073","MoKα","","0.0788","0.0495","","","0.0978","0.1122","","","","","","1.033","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4515218","6.217","0.002","7.746","0.003","9.321","0.003","90","","109.041","0.005","90","","424.3","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C16 H26 N2 O8 -","2","1","","Sagawa, Takuya; Kobayashi, Hirokazu; Murata, Chinatsu; Shichibu, Yukatsu; Konishi, Katsuaki; Fukuoka, Atsushi","Catalytic Conversion of a Chitin-Derived Sugar Alcohol to an Amide-Containing Isosorbide Analog","ACS Sustainable Chemistry & Engineering","2019","7","17","14883","","10.1021/acssuschemeng.9b02985","","","0.71073","MoKα","","0.0357","0.0313","","","0.0664","0.0685","","","","","","1.079","","","","has coordinates","220318","2020-10-21","18:00:00",""
"4515252","9.2224","0.0002","8.97","0.0002","11.92","0.0003","90","","112.477","0.0009","90","","911.17","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 O3 -","- C24 H16 N2 O3 -","- C48 H32 N4 O6 -","2","1","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","1.54178","CuKα","","0.0482","0.0473","","","0.1163","0.117","","","","","","1.083","","","","has coordinates","223363","2020-10-21","18:00:00",""
"4515254","9.9025","0.0007","8.5425","0.0005","26.6115","0.0016","90","","97.442","0.002","90","","2232.2","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H17 F3 N2 O4 S -","- C26 H17 F3 N2 O4 S -","- C104 H68 F12 N8 O16 S4 -","4","2","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","0.71073","MoKα","","0.079","0.0526","","","0.1003","0.116","","","","","","1.069","","","","has coordinates","223365","2020-10-21","18:00:00",""
"4515273","12.2446","0.0004","9.4399","0.0004","27.8334","0.001","90","","94.697","0.003","90","","3206.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H65 Br2 Cl2 N2 -","- C73 H66 Br2 Cl2 N2 -","- C146 H132 Br4 Cl4 N4 -","2","1","","Li, Nan; Liu, Yan Yan; Li, Yan; Zhuang, Jia Bao; Cui, Rong Rong; Gong, Qian; Zhao, Na; Tang, Ben Zhong","Fine Tuning of Emission Behavior, Self-Assembly, Anion Sensing, and Mitochondria Targeting of Pyridinium-Functionalized Tetraphenylethene by Alkyl Chain Engineering.","ACS applied materials & interfaces","2018","10","28","24249","24257","10.1021/acsami.8b04113","","","1.54178","CuKα","","0.1051","0.0796","","","0.2284","0.2594","","","","","","1.049","","","","has coordinates,has disorder","225441","2020-10-21","18:00:00",""
"4515284","13.093","0.003","20.8","0.004","39.643","0.008","90","","94.91","0.03","90","","10757","4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H60 Cl2 N0 O26 S3 Zr6 -","- C72 H60 Cl2 O26 S3 Zr6 -","- C288 H240 Cl8 O104 S12 Zr24 -","4","2","","Lee, Soochan; Lee, Jeong Hyeon; Kim, Jin Chul; Lee, Sungmin; Kwak, Sang Kyu; Choe, Wonyoung","Porous Zr6L3 Metallocage with Synergetic Binding Centers for CO2.","ACS applied materials & interfaces","2018","10","10","8685","8691","10.1021/acsami.7b18836","","","0.71073","MoKα","","0.06","0.0569","","","0.1486","0.1506","","","","","","1.078","","","","has coordinates","225452","2020-10-21","18:00:00",""
"4515466","11.8498","0.0001","9.5906","0.0001","14.708","0.0002","90","","96.008","0.001","90","","1662.33","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 F3 N O4 -","- C18 H14 F3 N O4 -","- C72 H56 F12 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0441","0.0408","","","0.1144","0.1176","","","","","","1.064","","","","has coordinates,has disorder","225621","2020-10-21","18:00:00",""
"4515467","13.5517","0.0003","9.2461","0.0001","11.8061","0.0003","90","","106.796","0.002","90","","1416.2","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0478","0.0458","","","0.1229","0.1249","","","","","","1.051","","","","has coordinates","225622","2020-10-21","18:00:00",""
"4515470","10.8042","0.0002","8.4963","0.0001","15.825","0.0003","90","","103.232","0.002","90","","1414.1","0.04","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0301","0.0294","","","0.0723","0.0728","","","","","","1.107","","","","has coordinates,has disorder","225625","2020-10-21","18:00:00",""
"4515538","13.288","","5.6","","14.983","","90","","114.29","","90","","1016.23","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","0.71073","MoKα","","0.0557","0.0493","","","0.1211","0.1278","","","","","","1.039","","","","has coordinates","225695","2020-10-21","18:00:00",""
"4515554","9.356","0.0003","10.7541","0.0003","9.6715","0.0003","90","","96.3296","0.0015","90","","967.17","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi","Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides","ACS Catalysis","2018","8","8","7340","","10.1021/acscatal.8b01687","","","0.71073","MoKα","","0.0402","0.0352","","","0.0874","0.0914","","","","","","1.023","","","","has coordinates","225711","2020-10-21","18:00:00",""
"4515568","9.1834","0.0003","5.2643","0.0002","13.7823","0.0004","90","","107.711","0.0011","90","","634.72","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0669","0.0593","","","0.1456","0.1541","","","","","","1.045","","","","has coordinates","225723","2020-10-21","18:00:00",""
"4515611","10.936","0.0005","6.5014","0.0003","14.9916","0.0008","90","","95.8987","0.0016","90","","1060.25","0.09","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl O4 -","- C25 H25 Cl O4 -","- C50 H50 Cl2 O8 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0559","0.048","","","0.1185","0.1243","","","","","","1.079","","","","has coordinates","225755","2020-10-21","18:00:00",""
"4515612","7.2559","0.0013","4.5474","0.0008","13.321","0.002","90","","100.781","0.005","90","","431.77","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H3 Br Cl I O -","- C6 H3 Br Cl I O -","- C12 H6 Br2 Cl2 I2 O2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0721","0.0702","","","0.2329","0.2358","","","","","","1.16","","","","has coordinates","225756","2020-10-21","18:00:00",""
"4515619","9.6791","0.0005","7.1917","0.0003","12.2628","0.0005","90","","107.906","0.001","90","","812.26","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0387","0.036","","","0.1","0.1028","","","","","","1.007","","","","has coordinates","225763","2020-10-21","18:00:00",""
"4515625","9.0489","0.0015","8.4426","0.0015","15.648","0.003","90","","94.577","0.003","90","","1191.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C52 H72 O8 S2 -","2","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0988","","","","","","1.061","","","","has coordinates","225769","2020-10-21","18:00:00",""
"4515633","9.2161","0.0002","12.7576","0.0003","10.9094","0.0002","90","","95.835","0.002","90","","1276.03","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O3 S -","- C23 H34 N6 O3 S -","- C46 H68 N12 O6 S2 -","2","1","","Nicholls, Rachel L.; McManus, James A.; Rayner, Christopher M.; Morales-Serna, José A.; White, Andrew J. P.; Nguyen, Bao N.","Guanidine-Catalyzed Reductive Amination of Carbon Dioxide with Silanes: Switching between Pathways and Suppressing Catalyst Deactivation","ACS Catalysis","2018","8","4","3678","","10.1021/acscatal.7b04108","","","0.71073","MoKα","","0.048","0.0375","","","0.0821","0.0868","","","","","","1.029","","","","has coordinates","225776","2020-10-21","18:00:00",""
"4515635","7.5964","0.0003","16.0907","0.0006","12.1098","0.0005","90","","99.736","0.002","90","","1458.88","0.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O -","- C15 H22 Br N O -","- C60 H88 Br4 N4 O4 -","4","2","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0817","0.0374","","","0.0838","0.0963","","","","","","1.011","","","","has coordinates","225778","2020-10-21","18:00:00",""
"4515642","11.39996","0.00016","31.0942","0.0005","19.9369","0.0003","90","","96.7204","0.0015","90","","7018.53","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.5 H15 Cl5 O3 -","- C25.5 H15 Cl5 O3 -","- C306 H180 Cl60 O36 -","12","6","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","1.54184","CuKα","","0.0603","0.0559","","","0.1435","0.1488","","","","","","1.046","","","","has coordinates,has disorder","225783","2020-10-21","18:00:00",""
"4515643","8.4142","0.0014","14.046","0.002","11.3304","0.0019","90","","104.324","0.003","90","","1297.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl N O5 -","- C29 H34 Cl N O5 -","- C58 H68 Cl2 N2 O10 -","2","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0516","0.0457","","","0.114","0.1191","","","","","","1.042","","","","has coordinates","225784","2020-10-21","18:00:00",""
"4515651","8.589","0.004","5.946","0.002","15.333","0.006","90","","100.966","0.004","90","","768.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 O2 P -","- C16 H25 O2 P -","- C32 H50 O4 P2 -","2","1","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0647","0.0469","","","0.1015","0.1085","","","","","","1.023","","","","has coordinates","225789","2020-10-21","18:00:00",""
"4515652","10.2543","0.0006","10.9798","0.0007","13.7645","0.0009","90","","90.59","0.001","90","","1549.67","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O3 P -","- C16 H23 O3 P -","- C64 H92 O12 P4 -","4","2","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0291","0.0277","","","0.0711","0.072","","","","","","1.023","","","","has coordinates","225790","2020-10-21","18:00:00",""
"4515654","7.7702","0.0004","7.7862","0.0004","17.9926","0.0008","90","","100.144","0.003","90","","1071.54","0.09","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 F3 O2 S -","- C26 H21 F3 O2 S -","- C52 H42 F6 O4 S2 -","2","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0334","0.0317","","","0.0781","0.0792","","","","","","1.066","","","","has coordinates","225792","2020-10-21","18:00:00",""
"4515679","7.3859","0.0004","14.0495","0.0006","19.8207","0.001","90","","95.797","0.002","90","","2046.24","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","TR-82_1DIAST","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.1148","0.0497","","","0.1191","0.164","","","","","","1.048","","","","has coordinates","225812","2020-10-21","18:00:00",""
"4515689","11.2724","0.0011","25.712","0.002","22.718","0.002","90","","98.349","0.003","90","","6514.7","1","100","","99.99","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C256 H236 Cl8 F72 N12 O16 P4 Sb4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0964","0.0634","","","0.1463","0.1638","","","","","","1.019","","","","has coordinates,has disorder","225822","2020-10-21","18:00:00",""
"4515691","11.5608","0.0006","22.3675","0.0009","14.1582","0.0008","90","","95.008","0.002","90","","3647.1","0.3","100","2","100","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C126 H118 Au2 Cl6 F36 N6 O8 P2 Sb2 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0477","0.0455","","","0.1279","0.1296","","","","","","1.102","","","","has coordinates","225824","2020-10-21","18:00:00",""
"4515715","7.4782","0.0015","17.022","0.004","9.979","0.002","90","","107.975","0.004","90","","1208.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H9 Al F15 N -","- C27 H9 Al F15 N -","- C54 H18 Al2 F30 N2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0642","0.0489","","","0.1072","0.1157","","","","","","1.057","","","","has coordinates","225847","2020-10-21","18:00:00",""
"4515743","7.421","0.003","16.048","0.006","8.176","0.003","90","","101.174","0.011","90","","955.2","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C40 H48 Cl2 N2 O8 -","2","1","","Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M.","Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides.","ACS catalysis","2018","8","9","7907","7914","10.1021/acscatal.8b02206","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.0362","","","0.0774","0.0809","","","","","","1.027","","","","has coordinates","225868","2020-10-21","18:00:00",""
"4515756","6.4088","0.0002","7.0686","0.0002","19.8625","0.0005","90","","93.865","0.002","90","","897.75","0.04","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O -","- C22 H22 N4 O -","- C44 H44 N8 O2 -","2","1","","Marichev, Kostiantyn O.; Adly, Frady G.; Carranco, Alejandra M.; Garcia, Estevan C.; Arman, Hadi; Doyle, Michael P.","Catalyst Choice for Highly Enantioselective [3 + 3]-Cycloaddition of Enoldiazocarbonyl Compounds","ACS Catalysis","2018","8","11","10392","","10.1021/acscatal.8b03391","","x-ray","0.71073","MoKα","","0.0373","0.036","","","0.0808","0.082","","","","","","1.05","","","","has coordinates","225881","2020-10-21","18:00:00",""
"4515759","12.992","0.003","16.505","0.005","17.872","0.005","90","","102.41","0.01","90","","3742.8","1.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H94 F9 Ho N4 O22 S3 -","- C58 H94 F9 Ho N4 O22 S3 -","- C116 H188 F18 Ho2 N8 O44 S6 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","1.54178","CuKα","","0.0368","0.0354","","","0.0923","0.0933","","","","","","1.042","","","","has coordinates,has disorder","225884","2020-10-21","18:00:00",""
"4515760","13.9107","0.0009","13.9185","0.0008","15.4002","0.001","90","","109.507","0.004","90","","2810.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N2 O6 S -","- C30 H32 N2 O6 S -","- C120 H128 N8 O24 S4 -","4","2","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.0536","0.0411","","","0.0879","0.0957","","","","","","1.001","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515761","9.458","0.003","25.399","0.008","11.67","0.004","90","","93.281","0.012","90","","2798.8","1.6","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C84 H120 Br4 F18 N8 O32 S6 Tm2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.118","0.0778","","","0.1882","0.2152","","","","","","1.028","","","","has coordinates,has disorder","225886","2020-10-21","18:00:00",""
"4515762","9.3322","0.0003","18.7754","0.0005","9.4931","0.0003","90","","107.649","0.003","90","","1585.05","0.09","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O6 S -","- C36 H36 N2 O6 S -","- C72 H72 N4 O12 S2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","x-ray","1.54184","CuKα","","0.0515","0.0504","","","0.1282","0.1303","","","","","","1.048","","","","has coordinates","225887","2020-10-21","18:00:00",""
"4515777","6.8374","0.0003","14.8665","0.0006","12.6176","0.0006","90","","105.716","0.0015","90","","1234.61","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N2 O4 S -","- C26 H25 I N2 O4 S -","- C52 H50 I2 N4 O8 S2 -","2","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0204","0.02","","","0.0526","0.0527","","","","","","1.082","","","","has coordinates","225902","2020-10-21","18:00:00",""
"4515799","10.1167","0.0017","9.2912","0.0016","10.2864","0.0016","90","","105.881","0.005","90","","930","0.3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Fe S2 -","- C24 H18 Fe S2 -","- C48 H36 Fe2 S4 -","2","1","","Xu, Bing-Bin; Ye, Jie; Yuan, Yu; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric C‒H Arylation for the Synthesis of Planar Chiral Benzothiophene-Fused Ferrocenes","ACS Catalysis","2018","8","12","11735","","10.1021/acscatal.8b03912","","","0.71073","MoKα","","0.057","0.035","","","0.0615","0.0664","","","","","","1.013","","","","has coordinates","225915","2020-10-21","18:00:00",""
"4515816","8.9557","0.0014","9.9317","0.0015","13.533","0.003","90","","104.289","0.002","90","","1166.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C54 H66 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.059","0.0523","","","0.146","0.1537","","","","","","1.106","","","","has coordinates","225921","2020-10-21","18:00:00",""
"4515829","9.2036","0.0002","22.0461","0.0005","11.8589","0.0003","90","","90.067","0.001","90","","2406.21","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N4 O3 -","- C28 H28 N4 O3 -","- C112 H112 N16 O12 -","4","2","","Lewin, Anita H.; Brieaddy, Larry; Deschamps, Jeffrey R.; Imler, Gregory H.; Mascarella, S. Wayne; Reddy, P. Anantha; Carroll, F. Ivy","Synthesis and Characterization of the Selective, Reversible PKCβ Inhibitor (9 S)-9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9 H,18 H-5,21:12,17-dimethenodibenzo[ e,k]pyrrolo[3,4- h][1,4,13]oxadiazacyclohexadecine-18,20(19 H)-dione, Ruboxistaurin (LY333531).","ACS chemical neuroscience","2019","10","1","246","251","10.1021/acschemneuro.8b00196","","","1.54178","CuKα","","0.1017","0.0917","","","0.2143","0.2226","","","","","","1.082","","","","has coordinates","225929","2020-10-21","18:00:00",""
"4515842","14.7787","0.0006","5.9377","0.0002","16.8849","0.0007","90","","107.428","0.002","90","","1413.66","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Nongthombam, Geetmani Singh; Borah, Kasmika; Muinao, Thingreila; Silla, Yumnam; Pal, Mintu; Deka Boruah, Hari Prasanna; Boruah, Romesh Chandra","Synthesis of D-Ring Annulated Pyridosteroids from β-Formyl Enamides and Their Biological Evaluations.","ACS combinatorial science","2019","21","1","11","27","10.1021/acscombsci.8b00140","","","0.71073","MoKα","","0.08","0.0552","","","0.1371","0.1547","","","","","","1.0335","","","","has coordinates","225942","2020-10-21","18:00:00",""
"4515876","5.1753","0.0014","19.084","0.004","8.2765","0.0018","90","","90.302","0.009","90","","817.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2,2-trifluoro-N-phenylacetamide","2,2,2-trifluoro-N-phenylacetamide","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of N-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.1606","0.0818","","","0.1846","0.2344","","","","","","1.052","","","","has coordinates","225968","2020-10-21","18:00:00",""
"4515959","10.0167","0.0003","7.5935","0.0002","12.506","0.0003","90","","107.618","0.003","90","","906.61","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O3 S -","- C15 H24 N4 O3 S -","- C30 H48 N8 O6 S2 -","2","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.0695","0.0601","","","0.1955","0.1999","","","","","","1.251","","","","has coordinates","226023","2020-10-21","18:00:00",""
"4515963","13.8545","0.0016","8.0296","0.0009","23.616","0.003","90","","99.037","0.002","90","","2594.6","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H65 B Cl7 Co N9 O3 -","- C44 H65 B Cl7 Co N9 O3 -","- C88 H130 B2 Cl14 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.0951","0.0568","","","0.106","0.121","","","","","","1.011","","","","has coordinates","226027","2020-10-21","18:00:00",""
"4515965","9.384","0.005","11.242","0.005","9.451","0.005","90","","118.112","0.006","90","","879.4","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RS163B","","","- C20 H24 N O P -","- C20 H24 N O P -","- C40 H48 N2 O2 P2 -","2","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","0.71073","MoKα","","0.1153","0.0742","","","0.1501","0.1855","","","","","","1.085","","","","has coordinates","226029","2020-10-21","18:00:00",""
"4515977","10.7169","0.0009","14.4134","0.0012","13.8384","0.0011","90","","100.691","0.0015","90","","2100.5","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H34 Br N Ni P2 -","- C16 H34 Br N Ni P2 -","- C64 H136 Br4 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κP,κN,κP-N(CH2CH2P i Pr2)2-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0338","0.0285","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4516033","10.1135","0.0003","8.7052","0.0001","11.4139","0.0003","90","","113.189","0.003","90","","923.7","0.04","150","","150","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O2 -","- C21 H30 Cl N O2 -","- C42 H60 Cl2 N2 O4 -","2","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees Galbulimima belgraveana and Galbulimima baccata in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0314","0.0307","","0.084","0.0831","0.084","","","","","","1.0051","","","","has coordinates","226069","2020-10-21","18:00:00",""
"4516087","6.79795","0.00018","9.9618","0.0003","12.8161","0.0004","90","","98.897","0.007","90","","857.46","0.05","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Chennapuram, Madhu; Owolabi, Isiaka Alade; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Takeshita, Mitsuhiro; Nakano, Hiroto","New Hybrid-type Squaramide-Fused Amino Alcohol Organocatalyst for Enantioselective Domino Michael Addition/Cyclization Reaction of Oxoindolines with Cyclic 1,3-Diketones.","ACS omega","2018","3","9","11718","11726","10.1021/acsomega.8b01271","","","1.54187","CuKα","","0.041","0.0409","","","0.109","0.1092","","","","","","1.036","","","","has coordinates","226100","2020-10-21","18:00:00",""
"4516141","11.9962","0.0003","14.6765","0.0004","13.8899","0.0004","90","","93.394","0.002","90","","2441.2","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((R)-C8H12N)4][Bi2Br10] and [((S)-C8H12N)4][Bi2Br10]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","","0.71073","MoKα","","0.0605","0.0323","","","0.0542","0.0602","","","","","","0.95","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516142","11.997","0.002","14.728","0.003","13.94","0.003","90","","93.44","0.03","90","","2458.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((R)-C8H12N)4][Bi2Br10] and [((S)-C8H12N)4][Bi2Br10]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","x-ray","0.63","synchrotron","","0.0483","0.0371","","","0.084","0.0884","","","","","","0.955","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516148","10.19","0.008","6.636","0.005","18.242","0.014","90","","104.79","0.02","90","","1192.7","1.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 F N O2 S -","- C28 H32 F N O2 S -","- C56 H64 F2 N2 O4 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.064","0.0461","","","0.1074","0.1212","","","","","","1.039","","","","has coordinates","226143","2020-10-21","18:00:00",""
"4516151","9.603","0.002","7.0203","0.0016","15.771","0.004","90","","93.616","0.003","90","","1061.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C52 H56 F2 N2 O2 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0686","0.0466","","","0.092","0.104","","","","","","1.027","","","","has coordinates","226146","2020-10-21","18:00:00",""
"4516156","16.077","0.0007","16.3313","0.0009","16.9952","0.0009","90","","107.066","0.002","90","","4265.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 I3 P Pb -","- C12 H28 I3 P Pb -","- C96 H224 I24 P8 Pb8 -","8","4","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.1017","0.0552","","","0.1097","0.1364","","","","","","1.113","","","","has coordinates,has disorder","226151","2020-10-21","18:00:00",""
"4516169","10.4125","0.0008","7.9214","0.0006","17.1706","0.0013","90","","100.71","0.001","90","","1391.59","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O5 S -","- C33 H29 N O5 S -","- C66 H58 N2 O10 S2 -","2","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0456","0.0353","","","0.0832","0.0898","","","","","","1.015","","","","has coordinates","226160","2020-10-21","18:00:00",""
"4516177","6.4009","0.0002","7.3211","0.0003","13.9114","0.0006","90","","100.161","0.004","90","","641.69","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0344","0.0326","","","0.0922","0.0934","","","","","","1.061","","","","has coordinates","226168","2020-10-21","18:00:00",""
"4516188","9.0272","0.0006","29.178","0.002","18.4176","0.0014","90","","99.641","0.002","90","","4782.6","0.6","130","2","130.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H124 Ir2 N10 O4 -","- C108 H123.58 Ir2 N10 O5.79 -","- C216 H247.16 Ir4 N20 O11.58 -","2","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0563","0.0532","","","0.1042","0.1056","","","","","","1.249","","","","has coordinates","226174","2020-10-21","18:00:00",""
"4516234","6.7404","0.0017","10.373","0.003","13.488","0.004","90","","90.437","0.007","90","","943","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki","High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols","ACS Catalysis","2019","","","11619","","10.1021/acscatal.9b04322","","","0.71075","MoKα","","0.0807","0.0741","","","0.21","0.2201","","","","","","1.07","","","","has coordinates","231087","2020-10-21","18:00:00",""
"4516255","12.4741","0.0004","16.7555","0.0006","14.1454","0.0005","90","","115.68","0.002","90","","2664.51","0.17","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","Cpx_5c","","","- C53 H77 F3 N O7 P Pd S -","- C53 H77 F3 N O7 P Pd S -","- C106 H154 F6 N2 O14 P2 Pd2 S2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0501","0.0484","","","0.1353","0.1376","","","","","","1.109","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516263","13.443","0.002","19.383","0.003","13.671","0.002","90","","105.615","0.003","90","","3430.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 Cl N O6.5 -","- C35.5 H53 Cl N O6.5 -","- C142 H212 Cl4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0342","0.0327","","0.0794","0.0787","0.0794","","","","","","0.9377","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516264","13.668","0.003","19.384","0.004","13.748","0.003","90","","106.219","0.003","90","","3497.4","1.3","90","","90","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 Br N O6.5 -","- C35.5 H53 Br N O6.5 -","- C142 H212 Br4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0369","0.03","","0.0754","0.0679","0.0754","","","","","","0.9225","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516265","14.028","0.005","19.233","0.006","14.064","0.005","90","","107.618","0.006","90","","3616","2","90","","90","","","","","","","","Synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 I N O6.5 -","- C35.5 H53 I N O6.5 -","- C142 H212 I4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.028","0.0266","","0.0682","0.0664","0.0682","","","","","","0.8954","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516266","13.963","0.004","18.833","0.005","14.46","0.004","90","","108.723","0.006","90","","3601.3","1.7","90","","90","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C35.5 H53 N2 O9.5 -","- C35.5 H53 N2 O9.5 -","- C142 H212 N8 O38 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0318","0.031","","0.0792","0.0789","0.0791","","","","","","0.9449","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516304","7.8452","0.0003","10.7034","0.0004","13.1775","0.0005","90","","93.234","0.003","90","","1104.76","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N'-((4-aminophenyl)(phenyl)methylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C52 H44 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0998","0.0713","","","0.2024","0.228","","","","","","1.039","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516369","14.633","0.005","9.37","0.005","15.966","0.005","90","0.005","114.871","0.005","90","0.005","1986.1","1.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 N6 O8 S -","- C39 H54 N6 O8 S -","- C78 H108 N12 O16 S2 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1354","0.0674","","","0.0746","0.0896","","","","","","0.989","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516370","14.275","0.0002","9.6424","0.0005","16.008","0.002","90","","111.617","0.012","90","","2048.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H57 Cl N6 O8 -","- C38 H51 Cl N6 O8 -","- C76 H102 Cl2 N12 O16 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.214","0.0965","","","0.1375","0.1847","","","","","","1.015","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516371","14.3053","0.0007","9.7478","0.0004","15.847","0.0001","90","","111.404","0.007","90","","2057.38","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H55 Br N6 O7 -","- C38 H51 Br N6 O7 -","- C76 H102 Br2 N12 O14 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1214","0.0643","","","0.1023","0.1231","","","","","","1.016","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516372","14.3578","0.0007","9.4796","0.0004","15.9818","0.0013","90","","111.131","0.007","90","","2029","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H53 I N6 O6 -","- C38 H51 I N6 O6 -","- C76 H102 I2 N12 O12 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1721","0.084","","","0.207","0.2646","","","","","","1.02","","","","has coordinates,has disorder","231271","2020-10-21","18:00:00",""
"4516480","11.6891","0.0013","6.1604","0.0007","8.8738","0.0012","90","","106.424","0.006","90","","612.92","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-D-Alanine) hydrate","","- C12 H13 N2 O4 -","- C12 H13 N2 O4 -","- C24 H26 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","x-ray","1.5418","CuKα","","0.1098","0.1094","","0.1365","0.1365","","","","10.38","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516481","11.1238","0.0005","6.1919","0.0003","8.9149","0.0005","90","","100.563","0.004","90","","603.63","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-L-Alanine) hydrate","","- C12 H13 N2 O4 -","- C12 H13 N2 O4 -","- C24 H26 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","x-ray","1.5418","CuKα","","0.0983","0.0973","","0.1045","0.1044","","","","4.42","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516482","11.6892","0.0013","6.1603","0.0007","8.8732","0.0012","90","","106.419","0.006","90","","612.89","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-D-Alanine) hydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","","1.5418","CuKα","","0.0872","0.0871","","","0.1095","0.1095","","","11.55","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516483","11.1237","0.0005","6.1915","0.0003","8.9145","0.0005","90","","100.561","0.004","90","","603.56","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-L-Alanine) hydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","","1.5418","CuKα","","0.0645","0.0643","","","0.0865","0.0865","","","6.29","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516513","6.6411","0.0002","6.9162","0.0002","9.0495","0.0002","90","","94.697","0.001","90","","414.26","0.02","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-malic acid urea addition compound","'(S)-(-)-hydroxysuccinic acid urea addition compound'","","- C5 H10 N2 O6 -","- C5 H10 N2 O6 -","- C10 H20 N4 O12 -","2","1","","Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna","Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids","Crystal Growth & Design","2015","15","11","5578","","10.1021/acs.cgd.5b01253","","","0.71073","MoKα","","0.021","0.019","","","","0.025","","","","","","1.904","","","","has coordinates","231350","2020-10-21","18:00:00",""
"4516590","5.01","0.001","17.384","0.004","13.25","0.003","90","","91.32","0.03","90","","1153.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O4 -","- C27 H26 N4 O4 -","- C54 H52 N8 O8 -","2","1","","Martin, Adam D.; Wojciechowski, Jonathan P.; Bhadbhade, Mohan M.; Thordarson, Pall","A Capped Dipeptide Which Simultaneously Exhibits Gelation and Crystallization Behavior.","Langmuir : the ACS journal of surfaces and colloids","2016","32","9","2245","2250","10.1021/acs.langmuir.5b03963","","","0.71073","MoKα","","0.0526","0.0491","","","0.1224","0.1245","","","","","","1.068","","","","has coordinates","236678","2020-10-21","18:00:00",""
"4516599","6.0153","0.0003","7.3861","0.0005","12.9529","0.0007","90","","92.641","0.003","90","","574.88","0.06","274","","274","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 F2 N4 Ni -","- C12 H10 F2 N4 Ni -","- C24 H20 F4 N8 Ni2 -","2","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.1156","0.0742","","","0.1153","0.1371","","","","","","0.982","","","","has coordinates,has disorder","239397","2020-10-21","18:00:00",""
"4516605","11.1098","0.0005","5.7159","0.0002","13.0553","0.0005","90","","109.388","0.005","90","","782.03","0.06","99.94","0.16","99.94","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Wang, Zhiming; Gui, Chen; Zhao, Engui; Wang, Jing; Li, Xiaodong; Qin, Anjun; Zhao, Zujin; Yu, Zhenqiang; Tang, Ben Zhong","Specific Fluorescence Probes for Lipid Droplets Based on Simple AIEgens.","ACS applied materials & interfaces","2016","8","16","10193","10200","10.1021/acsami.6b01282","","x-ray","1.54184","CuKα","","0.0463","0.0398","","","0.095","0.0995","","","","","","1.003","","","","has coordinates","239401","2020-10-21","18:00:00",""
"4516627","10.6642","0.0008","21.033","0.0017","12.8729","0.0011","90","","95.903","0.002","90","","2872.1","0.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H70 F6 Ir N4 O P -","- C62 H70 F6 Ir N4 O P -","- C124 H140 F12 Ir2 N8 O2 P2 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0388","0.0343","","","0.0827","0.084","","","","","","0.981","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516628","10.6642","0.0008","21.033","0.0017","12.8729","0.0011","90","","95.903","0.002","90","","2872.1","0.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H70 F6 Ir N4 O P -","- C62 H70 F6 Ir N4 O P -","- C124 H140 F12 Ir2 N8 O2 P2 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0228","0.0207","","","0.0536","0.0542","","","","","","1.032","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516629","14.58","0.002","18.408","0.003","15.474","0.0019","90","","107.193","0.003","90","","3967.5","1","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H76 Cl6 Ir2 N4 -","- C82 H76 Cl6 Ir2 N4 -","- C164 H152 Cl12 Ir4 N8 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0818","0.0561","","","0.1491","0.1669","","","","","","1.187","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516630","14.509","0.004","18.28","0.005","15.325","0.004","90","","106.596","0.005","90","","3895.2","1.8","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H76 Cl6 Ir2 N4 -","- C82 H76 Cl6 Ir2 N4 -","- C164 H152 Cl12 Ir4 N8 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0597","0.053","","","0.1461","0.1522","","","","","","1.011","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516682","10.9711","0.0009","7.3155","0.0006","19.9974","0.0017","90","","93.418","0.002","90","","1602.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl2 N2 O4 S -","- C35 H30 Cl2 N2 O4 S -","- C70 H60 Cl4 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0424","0.0396","","","0.1058","0.1085","","","","","","1.033","","","","has coordinates","239451","2020-10-21","18:00:00",""
"4516693","9.4911","0.0004","9.8015","0.0003","12.0673","0.0005","90","","103.604","0.004","90","","1091.09","0.07","300.79","0.1","300.79","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui","Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst","ACS Catalysis","2015","5","12","7432","","10.1021/acscatal.5b02177","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1351","0.1407","","","","","","1.12","","","","has coordinates","239462","2020-10-21","18:00:00",""
"4516696","12.1686","0.0004","15.7163","0.0005","17.6104","0.0006","90","","100.762","0.0011","90","","3308.67","0.19","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H87 Co N6 O2 Si2 -","- C76 H87 Co N6 O2 Si2 -","- C152 H174 Co2 N12 O4 Si4 -","2","1","","Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R.","A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes","ACS Catalysis","2016","6","6","3589","","10.1021/acscatal.6b01091","","x-ray","0.71073","MoKα","","0.0295","0.0276","","","0.0708","0.0737","","","","","","1.041","","","","has coordinates,has disorder","239465","2020-10-21","18:00:00",""
"4516714","15.49431","0.00014","16.23501","0.00013","15.84297","0.00016","90","","107.287","0.001","90","","3805.28","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Fe N4 O5 -","- C42 H50 Fe N4 O5 -","- C168 H200 Fe4 N16 O20 -","4","2","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0367","0.0323","","","0.0783","0.0803","","","","","","1.026","","","","has coordinates","239481","2020-10-21","18:00:00",""
"4516735","9.6188","0.0003","16.8151","0.0005","11.4121","0.0003","90","","92.913","0.003","90","","1843.42","0.09","173.01","0.1","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","2","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71","MoKα","","0.081","0.0778","","","0.211","0.2152","","","","","","1.116","","","","has coordinates","239496","2020-10-21","18:00:00",""
"4516747","12.0877","0.0006","25.0985","0.0014","16.8235","0.0008","90","","90.887","0.003","90","","5103.4","0.5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H146 Cl6 Co2 N12 O25 -","- C84 H146 Cl6 Co2 N12 O25 -","- C168 H292 Cl12 Co4 N24 O50 -","2","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.0807","0.0746","","","0.1791","0.183","","","","","","1.149","","","","has coordinates","239506","2020-10-21","18:00:00",""
"4516748","5.9867","0.0007","13.6517","0.0015","8.5379","0.0009","90","","97.16","0.006","90","","692.35","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","Villaume, Matthew T.; Sella, Eran; Saul, Garrett; Borzilleri, Robert M.; Fargnoli, Joseph; Johnston, Kathy A.; Zhang, Haiying; Fereshteh, Mark P.; Dhar, T. G. Murali; Baran, Phil S.","Antroquinonol A: Scalable Synthesis and Preclinical Biology of a Phase 2 Drug Candidate.","ACS central science","2016","2","1","27","31","10.1021/acscentsci.5b00345","","x-ray","1.54178","CuKα","","0.0291","0.0287","","","0.0737","0.0743","","","","","","1.096","","","","has coordinates","239507","2020-10-21","18:00:00",""
"4516764","11.9463","0.0005","14.2569","0.0006","12.379","0.0005","90","","115.498","0.0007","90","","1903","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N4 O2 S -","- C39 H56 N4 O2 S -","- C78 H112 N8 O4 S2 -","2","1","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0986","0.0898","","","0.1818","0.1864","","","","","","1.07","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516769","12.8744","0.0007","11.4434","0.0007","13.9437","0.0008","90","","107.307","0.002","90","","1961.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6c","azide_6c","","- C45 H58 F3 N3 O4 -","- C45 H58 F3 N3 O4 -","- C90 H116 F6 N6 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0395","0.0382","","","0.103","0.1041","","","","","","1.039","","","","has coordinates","239525","2020-10-21","18:00:00",""
"4516770","10.1594","0.0005","6.5226","0.0003","11.7589","0.0005","90","","100.773","0.003","90","","765.48","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_3f","azide_3f","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C30 H46 N6 O6 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0559","0.048","","","0.1239","0.131","","","","","","1.071","","","","has coordinates","239526","2020-10-21","18:00:00",""
"4516771","9.591","0.0006","10.1778","0.0006","11.4314","0.0007","90","","102.57","0.002","90","","1089.13","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6f","azide_6f","","- C24 H26 F3 N5 O4 -","- C24 H26 F3 N5 O4 -","- C48 H52 F6 N10 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0291","0.0291","","","0.0766","0.0767","","","","","","1.034","","","","has coordinates","239527","2020-10-21","18:00:00",""
"4516773","7.9614","0.0005","10.5937","0.0007","17.3592","0.0011","90","","93.179","0.003","90","","1461.83","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6e","azide_6e","","- C27 H38 F3 N3 O9 -","- C27 H38 F3 N3 O9 -","- C54 H76 F6 N6 O18 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0394","0.0386","","","0.105","0.1056","","","","","","1.057","","","","has coordinates","239529","2020-10-21","18:00:00",""
"4516775","8.1836","0.0002","10.5248","0.0002","13.9957","0.0003","90","","103.058","0.001","90","","1174.29","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_4c","azide_4c","","- C22 H26 N6 O7 -","- C22 H26 N6 O7 -","- C44 H52 N12 O14 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0439","0.0387","","","0.0963","0.1005","","","","","","1.043","","","","has coordinates,has disorder","239531","2020-10-21","18:00:00",""
"4516780","10.1526","0.0004","11.188","0.0004","11.4068","0.0004","90","","94.395","0.001","90","","1291.86","0.08","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","1","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0633","0.0628","","","0.1785","0.1793","","","","","","1.117","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516783","8.7826","0.0004","22.1496","0.001","10.3099","0.0005","90","","109.928","0.002","90","","1885.5","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","CX-10-028","CX-10-028","","- C42 H48 B N O10 -","- C42 H48 B N O10 -","- C84 H96 B2 N2 O20 -","2","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0338","0.0311","","","0.0732","0.0747","","","","","","1.047","","","","has coordinates","239535","2020-10-21","18:00:00",""
"4516794","15.818","0.012","35.48","0.03","18.356","0.014","90","","108.901","0.012","90","","9746","13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C176 H208 O44 Ti8 Zr2 -","- C176 H208 O44 Ti8 Zr2 -","- C352 H416 O88 Ti16 Zr4 -","2","1","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti8Zr2O12(COO)16] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.3539","0.1501","","","0.335","0.4523","","","","","","0.968","","","","has coordinates","239542","2020-10-21","18:00:00",""
"4516807","7.9376","0.0006","18.7907","0.001","11.1825","0.0009","90","","108.097","0.003","90","","1585.4","0.2","200","0.5","200","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O4 S -","- C15 H18 N2 O4 S -","- C60 H72 N8 O16 S4 -","4","2","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.1511","0.0648","","","0.1143","0.1452","","","","","","1.004","","","","has coordinates","239556","2020-10-21","18:00:00",""
"4516811","10.862","0.003","17.927","0.004","12.12","0.003","90","","111.13","0.003","90","","2201.4","1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H61 F Ni O P2 -","- C50 H61 F Ni O P2 -","- C100 H122 F2 Ni2 O2 P4 -","2","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0318","0.0306","","","0.0756","0.0767","","","","","","1.04","","","","has coordinates","239560","2020-10-21","18:00:00",""
"4516813","12.6395","0.0004","32.5286","0.0011","12.7292","0.0004","90","","105.86","0.003","90","","5034.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H42 O3 Si -","- C22 H42 O3 Si -","- C176 H336 O24 Si8 -","8","4","","Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A.","Importance of a 4-Alkyl Substituent for Activity in the Englerin Series.","ACS medicinal chemistry letters","2017","8","7","746","750","10.1021/acsmedchemlett.7b00161","","","0.71073","MoKα","","0.2123","0.0963","","","0.2634","0.3353","","","","","","1.005","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516814","11.346","0.003","7.3426","0.0014","13.759","0.003","90","","107.79","0.02","90","","1091.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H108 O9 Si3 -","- C40 H70 O6 Si2 -","- C40 H70 O6 Si2 -","1","0.5","","Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A.","Importance of a 4-Alkyl Substituent for Activity in the Englerin Series.","ACS medicinal chemistry letters","2017","8","7","746","750","10.1021/acsmedchemlett.7b00161","","","1.54178","CuKα","","0.1653","0.0998","","","0.292","0.3611","","","","","","1.081","","","","has coordinates","239563","2020-10-21","18:00:00",""
"4516872","3.7419","0.0004","8.4966","0.0009","20.448","0.002","90","","90.597","0.003","90","","650.08","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H6 N4 O4 -","- C16 H6 N4 O4 -","- C32 H12 N8 O8 -","2","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0563","0.0464","","","0.0697","0.0725","","","","1.61","1.61","1.54","","","","has coordinates","239604","2020-10-21","18:00:00",""
"4516890","15.3958","0.0006","17.8619","0.0007","29.6863","0.0011","90","","103.301","0.004","90","","7944.7","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.71073","MoKα","","0.113","0.0822","","","0.2106","0.2469","","","","","","1.017","","","","has coordinates,has disorder","239618","2020-10-21","18:00:00",""
"4516892","12.4742","0.0005","9.8102","0.0004","17.1419","0.0008","90","","103.499","0.002","90","","2039.78","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Angamuthu, Venkatachalam; Chang, Wen-Jung; Hou, Duen-Ren","Anti-addition of Dimethylsulfoxonium Methylide to Acyclic α,β-Unsaturated Ketones and Its Application in Formal Synthesis of an Eicosanoid.","ACS omega","2017","2","8","4088","4099","10.1021/acsomega.7b00663","","","0.71073","MoKα","","0.087","0.0704","","","0.1821","0.1971","","","","","","1.054","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516897","18.899","0.005","11.212","0.003","27.511","0.007","90","","95.294","0.004","90","","5805","3","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C192 H300 F36 N36 O24 Pd6 -","6","3","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0854","0.0719","","","0.1488","0.1591","","","","","","1.057","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516898","9.734","0.006","20.3275","0.001","11.937","0.007","90","","109.531","0.008","90","","2226","1.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0887","0.0763","","","0.1545","0.1766","","","","","","1.044","","","","has coordinates","276342","2022-06-28","16:10:47",""
"4516899","10.561","0.002","11.169","0.002","16.133","0.003","90","","92.303","0.003","90","","1901.4","0.6","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C64 H100 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0443","0.0397","","","0.0793","0.0829","","","","","","1.03","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516900","9.702","0.003","20.111","0.006","11.874","0.004","90","","109.578","0.003","90","","2182.9","1.2","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0902","0.0571","","","0.0925","0.1186","","","","","","0.857","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516931","11.5855","0.0009","13.7576","0.0014","11.9138","0.0009","90","","111.058","0.002","90","","1772.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cu2 I2 P2 Pt S2 -","- C30 H44 Cu2 I2 P2 Pt S2 -","- C60 H88 Cu4 I4 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The trans-Bis(p-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0266","0.0233","","","0.0568","0.0581","","","","","","1.144","","","","has coordinates","239637","2020-10-21","18:00:00",""
"4516952","10.5006","0.0001","17.8634","0.0001","34.4468","0.0001","90","","98.1","0.001","90","","6396.95","0.07","110","0.02","110","0.1","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C47 H45 F6 N O P2 Ru -","- C47 H45 F6 N O P2 Ru -","- C282 H270 F36 N6 O6 P12 Ru6 -","6","3","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh3 Propeller Diastereomers: Bonding Motif PhPPh3 Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh3].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","x-ray","1.54178","CuKα","","0.0427","0.0414","","","0.1086","0.11","","","","","","1.012","","","","has coordinates","252051","2020-10-21","18:00:00",""
"4516953","10.429","0.003","16.431","0.005","14.06","0.005","90","","98.59","0.014","90","","2382.3","1.3","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C49 H49 Cl4 F6 N O P2 Ru -","- C49 H49 Cl4 F6 N O P2 Ru -","- C98 H98 Cl8 F12 N2 O2 P4 Ru2 -","2","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh3 Propeller Diastereomers: Bonding Motif PhPPh3 Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh3].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.06","0.0561","","","0.1479","0.1519","","","","","","1.057","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4516965","10.2684","0.0002","24.0869","0.0006","11.3063","0.0003","90","","90.394","0.002","90","","2796.37","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl4 N5 O8 -","- C58 H63 Cl4 N5 O8 -","- C116 H126 Cl8 N10 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0408","0.0368","","","0.1072","0.1132","","","","","","0.837","","","","has coordinates","239660","2020-10-21","18:00:00",""
"4516966","10.719","0.0003","22.6325","0.0006","11.0891","0.0003","90","","91.415","0.002","90","","2689.37","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H69 N7 O8 -","- C58 H69 N7 O8 -","- C116 H138 N14 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.0986","0.1007","","","","","","1.066","","","","has coordinates","239661","2020-10-21","18:00:00",""
"4517076","6.9834","0.0004","22.5744","0.001","8.9244","0.0006","90","","100.225","0.006","90","","1384.55","0.14","298","2","298","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.1209","0.0686","","","0.1128","0.144","","","","","","1.013","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517077","6.9342","0.0005","22.5168","0.001","8.935","0.0006","90","","100.661","0.007","90","","1370.99","0.15","250","2","250","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0963","0.0623","","","0.0995","0.1173","","","","","","1.019","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517078","6.8902","0.0005","22.481","0.0009","8.9485","0.0005","90","","101.021","0.006","90","","1360.55","0.14","200","2","200","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0851","0.0605","","","0.1049","0.1188","","","","","","1.012","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517079","6.8714","0.0004","22.4993","0.0013","8.9878","0.0004","90","","101.362","0.005","90","","1362.3","0.13","150","2","150","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.077","0.0577","","","0.1029","0.1141","","","","","","1.02","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517080","6.8406","0.0004","22.4497","0.0009","8.9864","0.0005","90","","101.49","0.005","90","","1352.38","0.12","120","2","120","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.074","0.0565","","","0.1036","0.1151","","","","","","1.035","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517081","6.8278","0.0004","22.4357","0.0008","8.9943","0.0005","90","","101.65","0.005","90","","1349.42","0.12","100","2","100","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0711","0.0549","","","0.1058","0.116","","","","","","1.018","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517148","6.3498","0.0003","10.024","0.0004","11.8562","0.0005","90","","98.403","0.001","90","","746.55","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R.","Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts","ACS Catalysis","2019","","","51","","10.1021/acscatal.9b03874","","","1.54178","CuKα","","0.0361","0.0357","","","0.1027","0.1031","","","","","","1.119","","","","has coordinates","243787","2020-10-21","18:00:00",""
"4517151","7.3993","0.0004","11.5801","0.0006","7.7694","0.0004","90","","103.973","0.003","90","","646.02","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C26 H36 O12 -","2","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.0837","0.0773","","","0.1938","0.2014","","","","","","1.037","","","","has coordinates","243791","2020-10-21","18:00:00",""
"4517154","13.1861","0.0009","20.9038","0.0013","18.7818","0.0011","90","","94.562","0.005","90","","5160.6","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C117 H102 Au Cl O4 P6 Pt2 -","- C96 H78 Au Cl O4 P6 Pt2 -","- C192 H156 Au2 Cl2 O8 P12 Pt4 -","2","1","","Xiao, Hui; Zhang, Xu; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Qian-Chong; Chen, Zhong-Ning","Enhancing Phosphorescence through Rigidifying the Conformation to Achieve High-Efficiency OLEDs by Modified PEDOT.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15807","","","0.71073","MoKα","","0.0355","0.0329","","","0.0895","0.0907","","","","","","1.027","","","","has coordinates","244786","2020-10-21","18:00:00",""
"4517158","11.8211","0.0005","11.4458","0.0005","38.5705","0.0016","90","","93.243","0.004","90","","5210.3","0.4","102.5","1","102.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","BP-CDTC","Phenyl(4-(3,3'',6,6''-tetra-tert-butyl-9'H-[9,3':6',9''-tercarbazol]-9'-yl)phenyl)methanone","","- C65 H63 N3 O -","- C65 H63 N3 O -","- C260 H252 N12 O4 -","4","2","","Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian","Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16073","","x-ray","1.54184","CuKα","","0.1101","0.097","","","0.2511","0.2657","","","","","","1.075","","","","has coordinates","244857","2020-10-21","18:00:00",""
"4517161","8.1668","0.0001","31.2974","0.0002","10.781","0.0001","90","","104.038","0.001","90","","2673.32","0.05","103","3","103","3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H25 N O S -","- C38 H25 N O S -","- C152 H100 N4 O4 S4 -","4","2","","Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian","Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16073","","x-ray","1.54184","CuKα","","0.0309","0.0306","","","0.0813","0.0815","","","","","","1.033","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517164","13.0414","0.0011","5.7208","0.0004","14.1145","0.0012","90","","93.997","0.004","90","","1050.48","0.15","99","2","99","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N S -","- C25 H29 N S -","- C50 H58 N2 S2 -","2","1","","Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L.","Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes","ACS Catalysis","2019","","","282","","10.1021/acscatal.9b04871","","","0.71073","MoKα","","0.0454","0.044","","","0.1092","0.1098","","","","","","1.125","","","","has coordinates,has disorder","245061","2020-10-21","18:00:00",""
"4517190","9.7519","0.0002","8.5712","0.0001","11.3815","0.0002","90","","105.931","0.002","90","","914.79","0.03","99.8","0.5","99.8","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H22 B F4 Ir N2 O2 -","- C14 H22 B F4 Ir N2 O2 -","- C28 H44 B2 F8 Ir2 N4 O4 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0365","0.0303","","","0.0545","0.057","","","","","","1.043","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517230","9.9199","0.0005","11.8932","0.0005","11.895","0.0006","90","","101.879","0.003","90","","1373.31","0.11","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C72 H36 O16 P4 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0447","0.042","","","0.1068","0.1099","","","","","","1.025","","","","has coordinates,has Fobs","245438","2020-10-21","18:00:00",""
"4517245","8.8287","0.0001","11.0571","0.0001","13.3265","0.0001","90","","102.649","0.001","90","","1269.36","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 N O5 -","- C28 H41 N O5 -","- C56 H82 N2 O10 -","2","1","","Li, Hang; Wei, Haochen; Hu, Jinyu; Lacey, Ernest; Sobolev, Alexandre N.; Stubbs, Keith A.; Solomon, Peter S.; Chooi, Yit-Heng","Genomics-driven Discovery of Phytotoxic Cytochalasans involved in the Virulence of the Wheat Pathogen Parastagonospora nodorum.","ACS chemical biology","2019","","","","","10.1021/acschembio.9b00791","","","1.54178","CuKα","","0.0381","0.0378","","","0.099","0.0994","","","","","","1.004","","","","has coordinates","245453","2020-10-21","18:00:00",""
"4517247","13.0971","0.0004","14.1629","0.0004","13.3737","0.0004","90","","118.41","0.0011","90","","2181.95","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene carbon disulfide","","- C79 H9 O3 P S2 Se -","- C79 H9 O3 P S2 Se -","- C158 H18 O6 P2 S4 Se2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0688","0.0648","","","0.1768","0.1824","","","","","","1.081","","","","has coordinates,has Fobs","245506","2020-10-21","18:00:00",""
"4517248","13.0898","0.0008","14.0998","0.0009","13.3595","0.0008","90","","118.467","0.003","90","","2167.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene carbon disulfide","","- C79 H9 O3 P S3 -","- C79 H9 O3 P S3 -","- C158 H18 O6 P2 S6 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0657","0.0563","","","0.1201","0.1286","","","","","","1.134","","","","has coordinates,has Fobs","245507","2020-10-21","18:00:00",""
"4517254","13.2521","0.0015","14.4547","0.0015","25.261","0.003","90","","90.153","0.006","90","","4838.9","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12Λ5-phosphadibenzo[cd,mn]pyrene-12c-thione C70 fullerene carbon disulfide","","- C89 H9 O3 P S3 -","- C89 H9 O3 P S3 -","- C356 H36 O12 P4 S12 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1001","0.0926","","","0.2402","0.247","","","","","","1.068","","","","has coordinates,has Fobs","245513","2020-10-21","18:00:00",""
"4517285","11.2351","0.001","5.6546","0.0005","11.98","0.001","90","","96.909","0.005","90","","755.56","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0481","0.0398","","","0.0927","0.0966","","","","","","1.087","","","","has coordinates","246324","2020-10-21","18:00:00",""
"4517286","13.5174","0.0007","6.0844","0.0004","24.6942","0.0013","90","","92.239","0.004","90","","2029.4","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O -","- C25 H31 N O -","- C100 H124 N4 O4 -","4","2","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0528","0.0424","","","0.0932","0.1007","","","","","","1.038","","","","has coordinates","246325","2020-10-21","18:00:00",""
"4517354","5.4824","0.0002","9.0496","0.0003","21.3585","0.0008","90","","93.8688","0.0005","90","","1057.26","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 Pb Se2 -","- C22 H20 N2 Pb Se2 -","- C44 H40 N4 Pb2 Se4 -","2","1","","Vartak, Prathamesh B.; Wang, Zhongyong; Groy, Thomas L.; Trovitch, Ryan J.; Wang, Robert Y.","Solution and Solid-State Characterization of PbSe Precursors","ACS Omega","2020","","","","","10.1021/acsomega.9b03715","","","0.71073","MoKα","","0.0257","0.0245","","","0.0585","0.0592","","","","","","1.032","","","","has coordinates,has disorder","247221","2020-10-21","18:00:00",""
"4517356","8.7941","0.0002","6.0013","0.0001","31.0223","0.0007","90","","97.019","0.002","90","","1624.96","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","2","","Bera, Santu; Xue, Bin; Rehak, Pavel; Jacoby, Guy; Ji, Wei; Shimon, Linda J. W.; Beck, Roy; Král, Petr; Cao, Yi; Gazit, Ehud","Self-Assembly of Aromatic Amino Acid Enantiomers into Supramolecular Materials of High Rigidity.","ACS nano","2020","","","","","10.1021/acsnano.9b07307","","","1.54184","CuKα","","0.0901","0.0888","","","0.2655","0.2664","","","","","","1.104","","","","has coordinates","247223","2020-10-21","18:00:00",""
"4517360","5.6803","0.0002","9.2798","0.0003","9.3092","0.0003","90","","90.739","0.003","90","","490.67","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0482","0.0438","","","0.1144","0.1183","","","","","","1.057","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517362","6.9049","0.0006","17.9673","0.0013","10.1305","0.0007","90","","106.637","0.009","90","","1204.2","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C54 H58 N6 O10 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0455","0.0423","","","0.1229","0.1275","","","","","","0.971","","","","has coordinates","247379","2020-10-21","18:00:00",""
"4517364","6.9113","0.0003","18.1972","0.0008","10.137","0.0004","90","","105.648","0.005","90","","1227.64","0.09","298","4","298","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C54 H58 N6 O8 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0534","0.047","","","0.1506","0.1574","","","","","","1.088","","","","has coordinates","247381","2020-10-21","18:00:00",""
"4517365","10.9997","0.0001","10.5162","0.0001","14.1245","0.0001","90","","106.586","0.001","90","","1565.87","0.02","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H36 Fe N O P S -","- C37 H36 Fe N O P S -","- C74 H72 Fe2 N2 O2 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0452","0.0441","","","0.115","0.1157","","","","","","1.058","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517366","9.5052","0.0001","11.4481","0.0001","11.0312","0.0001","90","","93.722","0.001","90","","1197.84","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H23 O P -","- C32 H23 O P -","- C64 H46 O2 P2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0971","0.0974","","","","","","1.053","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517367","10.3729","0.0003","11.5112","0.0002","15.6134","0.0003","90","","106.888","0.002","90","","1783.91","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1537","0.1546","","","","","","1.049","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517373","12.329","0.006","27.522","0.013","12.652","0.007","90","","105.97","0.02","90","","4127","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","19092_AlCoH","","","- C42 H64 Al Co N4 P3 -","- C42 H64 Al Co N4 P3 -","- C168 H256 Al4 Co4 N16 P12 -","4","2","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.101","0.0551","","","0.0961","0.1101","","","","","","1.02","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517385","8.89","0.0004","21.1643","0.0011","11.0358","0.0005","90","","104.694","0.002","90","","2008.48","0.17","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H42 O2 P2 -","- C53 H42 O2 P2 -","- C106 H84 O4 P4 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0643","0.0458","","","0.0891","0.1004","","","","","","1.036","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517394","14.1788","0.0011","8.3217","0.0006","17.7545","0.0016","90","","107.843","0.003","90","","1994.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","2","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.1504","0.07","","","0.1124","0.1414","","","","","","1.05","","","","has coordinates","247994","2020-10-21","18:00:00",""
"4517401","12.9613","0.0007","10.7014","0.0004","13.1802","0.0006","90","","113.51","0.006","90","","1676.39","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H27 N O4 Pt S -","- C34 H27 N O4 Pt S -","- C68 H54 N2 O8 Pt2 S2 -","2","1","","Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng","Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20568","","x-ray","1.54184","CuKα","","0.0592","0.0505","","","0.1068","0.1147","","","","","","0.985","","","","has coordinates","248037","2020-10-21","18:00:00",""
"4517402","10.232","0.002","23.201","0.004","13.408","0.002","90","","90.275","0.007","90","","3182.9","1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H27 N O4 Pt S -","- C34 H27 N O4 Pt S -","- C136 H108 N4 O16 Pt4 S4 -","4","2","","Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng","Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20568","","","0.71073","MoKα","","0.0366","0.0317","","","0.0666","0.0686","","","","","","0.95","","","","has coordinates","248038","2020-10-21","18:00:00",""
"4517424","10.4234","0.0001","6.0234","0.0001","15.0661","0.0001","90","","90.369","0.001","90","","945.895","0.019","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0325","0.0321","","","0.0838","0.0841","","","","","","1.0697","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517429","5.166","","13.624","","24.035","","90","","95.88","","90","","1682.72","","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N O -","- C20 H17 Br N O -","- C80 H68 Br4 N4 O4 -","4","2","","Lemay, Jean-Christian; Dong, Yi; Albert, Vincent; Inouye, Monica; Groves, Michael N.; Boukouvalas, John; McBreen, Peter H.","Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group","ACS Catalysis","2020","","","3034","3041","10.1021/acscatal.9b04682","","","0.71073","MoKα","","0.0614","0.0478","","","0.1178","0.1277","","","","","","1.039","","","","has coordinates","257039","2020-10-21","18:00:00",""
"4517437","8.3309","0.0019","6.6556","0.0018","10.916","0.003","90","","96.337","0.008","90","","601.6","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Welin, Eric R.; Daiger, Martin T.; Grünanger, Christian U.; Bartberger, Michael D.; Virgil, Scott C.; Stoltz, Brian M.","Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of 1,3-Disubstituted Isoquinolines","ACS Catalysis","2020","","","3241","3248","10.1021/acscatal.0c00211","","","0.71073","MoKα","","0.0484","0.0383","","","0.0909","0.096","","","","","","1.058","","","","has coordinates,has disorder","257024","2020-10-21","18:00:00",""
"4517438","7.0246","0.0004","17.2258","0.0011","27.7","0.002","90","","95.667","0.004","90","","3335.4","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H48 N2 S -","- C36 H48 N2 S -","- C144 H192 N8 S4 -","4","2","","Echeverri, Marcelo; Ruiz, Constanza; Gámez-Valenzuela, Sergio; Alonso-Navarro, Matias; Gutierrez-Puebla, Enrique; Serrano, José L; Ruiz Delgado, M. Carmen; Gómez-Lor, Berta","Stimuli-Responsive Benzothiadiazole Derivative as a Dopant for Rewritable Polymer Blends.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b21209","","x-ray","1.54178","CuKα","","0.1696","0.1002","","","0.2558","0.3358","","","","","","1.037","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517440","15.2434","0.0007","7.8592","0.0002","15.5165","0.0009","90","","105.045","0.005","90","","1795.17","0.15","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N3 O9 -","- C31.0006 H43.0015 N3 O9 -","- C62.0012 H86.003 N6 O18 -","2","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.1318","0.091","","","0.2251","0.2609","","","","","","1.048","","","","has coordinates,has disorder","248416","2020-10-21","18:00:00",""
"4517442","12.5726","0.0004","7.5849","0.0002","16.0036","0.0004","90","","99.298","0.003","90","","1506.08","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C58 H80 N4 O20 -","2","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0651","0.0596","","","0.1511","0.1558","","","","","","1.064","","","","has coordinates","248418","2020-10-21","18:00:00",""
"4517443","16.1463","0.0003","7.8473","0.0001","30.1019","0.0005","90","","103.866","0.002","90","","3702.91","0.11","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","2","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0383","0.0372","","","0.1054","0.1064","","","","","","1.056","","","","has coordinates,has disorder","248419","2020-10-21","18:00:00",""
"4517454","16.045","0.003","34.887","0.007","16.55","0.003","90","","114.68","0.03","90","","8418","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C104.5 H98 N4 S3 -","- C104.5 H98 N4 S3 -","- C418 H392 N16 S12 -","4","2","","Li, Panpan; Chan, Chin-Yiu; Lai, Shiu-Lun; Chan, Hing; Leung, Ming-Yi; Hong, Eugene Yau-Hin; Li, Jingwen; Wu, Hongbin; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Three-Dimensional Spirothienoquinoline-Based Small Molecules for Organic Photovoltaic and Organic Resistive Memory Applications.","ACS applied materials & interfaces","2020","12","10","11865","11875","10.1021/acsami.9b19746","","","0.71","synchrotron","","0.0679","0.0647","","","0.1759","0.1813","","","","","","1.042","","","","has coordinates,has disorder","250037","2020-10-21","18:00:00",""
"4517456","12.5285","0.0004","16.597","0.0006","14.9439","0.0005","90","","93.876","0.001","90","","3100.26","0.18","120","2","120.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H86 Cl2 N8 O8 -","- C61 H86 Cl2 N8 O8 -","- C122 H172 Cl4 N16 O16 -","2","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","","0.71073","MoKα","","0.077","0.0517","","","0.1089","0.1252","","","","","","1.03","","","","has coordinates,has disorder","248591","2020-10-21","18:00:00",""
"4517458","25.487","0.005","9.845","0.002","26.272","0.005","90","","110.11","0.03","90","","6190","2","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C288 H300 N12 O48 -","12","6","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.1431","0.0534","","","0.1181","0.1606","","","","","","0.944","","","","has coordinates","248593","2020-10-21","18:00:00",""
"4517463","9.984","0.0009","5.4028","0.0003","12.6101","0.001","90","","111.475","0.006","90","","632.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-14","ent-14","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.049","0.0417","","","0.0984","0.1019","","","","","","1.036","","","","has coordinates","249127","2020-10-21","18:00:00",""
"4517464","9.6081","0.0004","5.9379","0.0002","13.0825","0.0005","90","","102.38","0.002","90","","729.03","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-30","ent-30","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C34 H32 N8 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0273","0.0261","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","249128","2020-10-21","18:00:00",""
"4517467","13.777","0.006","5.073","0.002","15.86","0.006","90","","103.272","0.007","90","","1078.9","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","20","20","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C54 H50 N6 O8 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.065","0.0394","","","0.0774","0.0875","","","","","","1.024","","","","has coordinates","249131","2020-10-21","18:00:00",""
"4517468","16.3071","0.0003","4.7352","0.0001","19.7305","0.0004","90","","97.866","0.001","90","","1509.2","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","7","7","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0323","0.0299","","","0.0738","0.0753","","","","","","1.048","","","","has coordinates","249132","2020-10-21","18:00:00",""
"4517470","9.8446","0.0008","5.8701","0.0005","13.6268","0.0011","90","","101.772","0.006","90","","770.91","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-21","ent-21","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C40 H36 N4 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0373","0.0313","","","0.0656","0.069","","","","","","1.05","","","","has coordinates","249134","2020-10-21","18:00:00",""
"4517472","10.7972","0.0005","4.7321","0.0001","13.9575","0.0006","90","","111.019","0.005","90","","665.69","0.05","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","9","9","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C32 H36 N4 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54184","CuKα","","0.0289","0.0285","","","0.0773","0.0777","","","","","","1.061","","","","has coordinates","249136","2020-10-21","18:00:00",""
"4517473","8.8961","0.0004","8.1587","0.0003","17.989","0.0007","90","","94.847","0.002","90","","1300.98","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","1","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.0419","0.0324","","","0.0608","0.064","","","","","","0.979","","","","has coordinates","249137","2020-10-21","18:00:00",""
"4517497","5.9236","0.0012","13.586","0.003","12.496","0.003","90","","100.7","0.03","90","","988.2","0.4","113.15","","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","","0.71073","MoKα","","0.0631","0.0447","","","0.096","0.1134","","","","","","0.925","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517499","14.798","0.0005","30.4525","0.0007","14.7929","0.0005","90","","119.955","0.005","90","","5775.7","0.4","119","","119","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C81 Cl21 N9 Pb3 Sb2 -","- C81 Cl21 N9 Pb3 Sb2 -","- C162 Cl42 N18 Pb6 Sb4 -","2","1","","Zhou, Chenkun; Lee, Sujin; Lin, Haoran; Neu, Jennifer; Chaaban, Maya; Xu, Liang-Jin; Arcidiacono, Ashley; He, Qingquan; Worku, Michael; Ledbetter, Logan; Lin, Xinsong; Schlueter, John A.; Siegrist, Theo; Ma, Biwu","Bulk Assembly of Multicomponent Zero-Dimensional Metal Halides with Dual Emission","ACS Materials Letters","2020","","","376","380","10.1021/acsmaterialslett.0c00011","","","0.71073","MoKα","","0.1856","0.1084","","0.2132","0.1858","0.175","","","","","","1.081","","","","has coordinates","257091","2020-10-21","18:00:00",""
"4517515","8.7317","0.0006","6.1983","0.0004","11.9174","0.0007","90","","110.056","0.002","90","","605.88","0.07","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N S -","- C15 H13 N S -","- C30 H26 N2 S2 -","2","1","","Pandey, Anand Kumar; Chand, Shiv; Singh, Rahul; Kumar, Saurabh; Singh, Krishna Nand","Iodine-Catalyzed Synthesis of 3-Arylthioindoles Employing a 1-Aryltriazene/CS2 Combination as a New Sulfenylation Source","ACS Omega","2020","","","","","10.1021/acsomega.0c00472","","x-ray","0.71073","MoKα","","0.0592","0.0491","","","0.1131","0.1217","","","","","","1.06","","","","has coordinates","249706","2020-10-21","18:00:00",""
"4517522","10.0207","0.0015","19.056","0.003","10.3059","0.001","90","","105.173","0.011","90","","1899.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H45 F3 N2 O5 P Rh S -","- C39 H45 F3 N2 O5 P Rh S -","- C78 H90 F6 N4 O10 P2 Rh2 S2 -","2","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0333","0.0325","","","0.0876","0.0888","","","","","","1.059","","","","has coordinates,has disorder","257048","2020-10-21","18:00:00",""
"4517527","8.43","0.0001","11.6177","0.0001","10.918","0.0001","90","","108.357","0.001","90","","1014.87","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 F5 N2 -","- C25 H19 F5 N2 -","- C50 H38 F10 N4 -","2","1","","Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao","Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane","ACS Catalysis","2020","","","4559","4565","10.1021/acscatal.0c00972","","x-ray","1.54184","CuKα","","0.032","0.0317","","","0.0855","0.0857","","","","","","1.037","","","","has coordinates","257057","2020-10-21","18:00:00",""
"4517547","15.249","0.0008","6.1775","0.0003","16.2653","0.0009","90","","113.939","0.002","90","","1400.4","0.13","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng","Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid","ACS Catalysis","2020","10","8","4786","4790","10.1021/acscatal.0c00610","","","1.34139","GaKα","","0.0877","0.0652","","","0.1546","0.1739","","","","","","1.025","","","","has coordinates","256990","2020-10-21","18:00:00",""
"4517624","7.9914","0.0002","19.2773","0.0006","12.1358","0.0003","90","","90.712","0.002","90","","1869.41","0.09","292.8","0.4","292.8","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","2","","Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli","Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis","ACS Catalysis","2020","","","5698","5706","10.1021/acscatal.0c01079","","x-ray","1.54184","CuKα","","0.0552","0.0534","","","0.1395","0.1434","","","","","","1.051","","","","has coordinates","257034","2020-10-21","18:00:00",""
"4517640","6.6642","0.0004","7.7286","0.0005","15.5866","0.001","90","","95.532","0.002","90","","799.05","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C38 H36 Br2 N2 O2 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0307","0.0263","","","0.0529","0.054","","","","","","0.998","","","","has coordinates","251749","2020-10-21","18:00:00",""
"4517641","6.4745","0.0005","6.9054","0.0005","18.0777","0.0014","90","","99.293","0.002","90","","797.63","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C38 H32 Br2 N2 O4 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0229","0.0217","","","0.0518","0.0661","","","","","","1.09","","","","has coordinates","251750","2020-10-21","18:00:00",""
"4517642","10.509","0.002","8.293","0.002","15.916","0.003","90","0.03","93.31","0.03","90","0.03","1384.8","0.5","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","2","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","1.34139","GaKα","","0.0468","0.0406","","","0.1387","0.1586","","","","","","0.694","","","","has coordinates","251811","2020-10-21","18:00:00",""
"4517677","11.20707","0.0001","5.82419","0.00004","12.84587","0.00011","90","","104.996","0.0009","90","","809.923","0.012","100.3","0.6","100.3","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.022","0.0214","","","0.0551","0.0554","","","","","","1.0592","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517690","12.17636","0.00016","38.6268","0.0005","12.77708","0.00018","90","","100.256","0.0013","90","","5913.47","0.14","100.4","0.8","100.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H51 B F24 Ir O0.5 P2 -","- C58 H51 B F24 Ir O0.5 P2 -","- C232 H204 B4 F96 Ir4 O2 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0391","0.0358","","","0.0689","0.07","","","","","","1.042","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517695","12.55791","0.00014","11.2147","0.0001","14.01011","0.00016","90","","107.532","0.0012","90","","1881.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H64 O3 Si -","- C42 H64 O3 Si -","- C84 H128 O6 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0353","0.0322","","","0.0754","0.077","","","","","","1.057","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517696","12.21766","0.00011","7.39922","0.00009","12.74257","0.00013","90","","95.6028","0.0009","90","","1146.44","0.02","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0345","0.0321","","","0.0807","0.0828","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517723","4.7672","0.0001","18.8707","0.0004","16.6201","0.0004","90","","93.099","0.002","90","","1492.96","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","2","","Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia","Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00097","","x-ray","1.54184","CuKα","","0.0407","0.039","","","0.1038","0.1057","","","","","","1.038","","","","has coordinates","252391","2020-10-21","18:00:00",""
"4517731","11.8096","0.0004","6.187","0.0002","19.7061","0.0007","90","","105.867","0.002","90","","1384.99","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C64 H74 N2 O6 -","2","1","","Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan","Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene","ACS Catalysis","2020","","","6603","6612","10.1021/acscatal.0c01495","","","1.54178","CuKα","","0.0414","0.0353","","","0.0916","0.0979","","","","","","1.03","","","","has coordinates","257013","2020-10-21","18:00:00",""
"4517737","11.8784","0.0001","9.4884","0.0001","13.0176","0.0001","90","","92.605","0.001","90","","1465.66","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 F3 N2 O6 -","- C32 H31 F3 N2 O6 -","- C64 H62 F6 N4 O12 -","2","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","1.54184","CuKα","","0.0412","0.0389","","","0.1019","0.1032","","","","","","1.052","","","","has coordinates","252498","2020-10-21","18:00:00",""
"4517750","5.6724","0.0002","9.6556","0.0003","9.4591","0.0004","90","","103.91","0.004","90","","502.89","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C22 H16 N4 O10 -","2","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer iso-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0373","0.0347","","","0.0765","0.0778","","","","","","1.072","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517755","9.90829","0.00008","9.74229","0.00007","19.67523","0.00017","90","","102.549","0.0008","90","","1853.87","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","4","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer iso-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0363","0.0359","","","0.0963","0.0971","","","","","","1.037","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517770","9.9422","0.0008","6.0314","0.0005","15.453","0.0012","90","","103.236","0.002","90","","902.03","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B2 F6 K2 O4 -","- C12 H18 B2 F6 K2 O4 -","- C24 H36 B4 F12 K4 O8 -","2","1","","Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.","Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks","ACS Catalysis","2020","10","13","7112","7116","10.1021/acscatal.0c01888","","","0.71073","MoKα","","0.0225","0.0215","","","0.056","0.0565","","","","","","1.054","","","","has coordinates","257001","2020-10-21","18:00:00",""
"4517805","10.1265","0.0002","15.3814","0.0002","14.2252","0.0002","90","","92.268","0.001","90","","2213.98","0.06","120.02","0.13","120.02","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Cesium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide","","- C27 H55 Br5 Cs2 N O13 Sb -","- C27 H55 Br5 Cs2 N O13 Sb -","- C54 H110 Br10 Cs4 N2 O26 Sb2 -","2","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0467","0.0416","","","0.0951","0.0978","","","","","","1.047","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517806","8.2589","0.0017","21.876","0.005","10.255","0.002","90","","94.625","0.004","90","","1846.8","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","2","","Huang, Yinhua; Wang, Lijun; Li, Junbao; Qiu, Huayu; Leung, Pak-Hing","Enantioselective C,P-Palladacycle-Catalyzed Arylation of Imines","ACS Omega","2020","","","","","10.1021/acsomega.0c01124","","","0.71073","MoKα","","0.0708","0.0459","","","0.0947","0.108","","","","","","1.013","","","","has coordinates","253399","2020-10-21","18:00:00",""
"4517829","7.6989","0.0002","5.6085","0.0002","13.528","0.0004","90","","92.652","0.003","90","","583.5","0.03","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O -","- C15 H13 N O -","- C30 H26 N2 O2 -","2","1","","Mao, Ying; Wang, Zehua; Wang, Gang; Zhao, Ran; Kan, Linglong; Pan, Xiaoguang; Liu, Lei","Redox Deracemization of Tertiary Stereocenters Adjacent to an Electron-Withdrawing Group","ACS Catalysis","2020","","","7785","7791","10.1021/acscatal.0c02486","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0827","0.0843","","","","","","1.07","","","","has coordinates","256987","2020-10-21","18:00:00",""
"4517833","7.8459","0.0009","9.8098","0.0012","11.0823","0.0012","90","","101.069","0.003","90","","837.1","0.17","299","2","299.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 I N2 O2 -","- C15 H21 I N2 O2 -","- C30 H42 I2 N4 O4 -","2","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-N,N,N-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0396","0.03","","","0.0548","0.0583","","","","","","1.064","","","","has coordinates","254767","2020-10-21","18:00:00",""
"4517869","8.697","0.005","4.949","0.003","23.171","0.012","90","","94.349","0.014","90","","994.4","1","100","","100","","","","","","","","synthesised","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C42 H68 N4 O4 -","2","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.0467","0.0363","","0.0918","0.0841","0.0918","","","","","","0.9748","","","","has coordinates","254514","2020-10-21","18:00:00",""
"4517886","9.128","0.006","7.415","0.007","14.724","0.01","90","","100.939","0.014","90","","978.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N O -","- C5 H6 N O -","- C40 H48 N8 O8 -","8","4","","Ji, Wei; Xue, Bin; Bera, Santu; Guerin, Sarah; Liu, Yanqing; Yuan, Hui; Li, Qi; Yuan, Chengqian; Shimon, Linda J. W.; Ma, Qing; Kiely, Evan; Tofail, Syed A. M.; Si, Mingsu; Yan, Xuehai; Cao, Yi; Wang, Wei; Yang, Rusen; Thompson, Damien; Li, Junbai; Gazit, Ehud","Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation","ACS Nano","2020","","","","","10.1021/acsnano.0c05367","","","0.71073","MoKα","","0.0533","0.0341","","","0.0941","0.1077","","","","","","0.992","","","","has coordinates","255118","2020-10-21","18:00:00",""
"4517890","7.6233","0.0004","7.8881","0.0004","13.5115","0.0007","90","","91.9018","0.0016","90","","812.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl2 N O -","- C18 H21 Cl2 N O -","- C36 H42 Cl4 N2 O2 -","2","1","","Rong, Zi-Qiang; Yu, Zhaoyuan; Weng, Cheng; Yang, Li-Cheng; Lu, Shenci; Lan, Yu; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines","ACS Catalysis","2020","","","9464","","10.1021/acscatal.0c02468","","","0.71073","MoKα","","0.0259","0.0247","","","0.0644","0.0652","","","","","","1.065","","","","has coordinates","255212","2020-10-21","18:00:00",""
"4517959","10.547","0.003","9.089","0.002","10.569","0.003","90","","117.789","0.008","90","","896.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O4 -","- C20 H18 F3 N O4 -","- C40 H36 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0816","0.0474","","","0.0793","0.0907","","","","","","0.987","","","","has coordinates","255861","2020-10-21","18:00:00",""
"4518039","7.25553","0.00003","7.4022","0.00004","47.0222","0.0002","90","","92.058","0.0004","90","","2523.79","0.02","170","0.13","170","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C108 H104 N16 O24 -","4","2","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0929","0.0935","","","","","","1.03","","","","has coordinates,has disorder","256408","2020-10-21","18:00:00",""
"4518061","14.75517","0.0001","11.9167","0.00008","18.31913","0.00011","90","","93.7103","0.0006","90","","3214.35","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 O3 S -","- C37 H56 O3 S -","- C148 H224 O12 S4 -","4","2","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0323","","","0.0849","0.0859","","","","","","1.05","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518087","8.0636","0.0002","13.035","0.0004","15.6853","0.0005","90","","96.548","0.001","90","","1637.91","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 F N Si2 -","- C33 H48 F N Si2 -","- C66 H96 F2 N2 Si4 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0501","0.0465","","","0.1237","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256739","2020-10-21","18:00:00",""
"4518103","11.568","0.0003","14.8438","0.0004","12.2105","0.0003","90","","94.94","0.007","90","","2088.91","0.1","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles","ACS Catalysis","2020","","","11971","11979","10.1021/acscatal.0c03940","","","1.54187","CuKα","","0.0535","0.0425","","","0.0958","0.1001","","","","","","1.071","","","","has coordinates","256888","2020-10-21","18:00:00",""
"4518115","6.6025","0.0002","7.3672","0.0002","7.036","0.0002","90","","90.746","0.002","90","","342.216","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl F N -","- C5 H11 Cl F N -","- C10 H22 Cl2 F2 N2 -","2","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0341","0.033","","","0.086","0.0866","","","","","","1.172","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518116","11.6007","0.0008","5.3802","0.0003","20.9518","0.0016","90","","105.418","0.008","90","","1260.63","0.16","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II.","ACS omega","2020","5","40","26245","26252","10.1021/acsomega.0c04005","","x-ray","0.71073","MoKα","","0.0949","0.0657","","","0.1509","0.1707","","","","","","1.059","","","","has coordinates","258704","2020-11-04","01:18:12",""
"4518141","11.486","0.002","30.043","0.006","11.821","0.002","90","","118.92","0.03","90","","3570.4","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H23 Cl6.75 N2 O4 -","- C40.9475 H22.9475 Cl6.8425 N2 O4 -","- C163.79 H91.79 Cl27.37 N8 O16 -","4","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.66002","synchrotron","","0.0452","0.0433","","","0.1136","0.1152","","","","","","1.065","","","","has coordinates","258385","2020-10-21","18:00:00",""
"4518142","11.706","0.006","30.339","0.015","12.025","0.006","90","","118.785","0.014","90","","3743","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H23 Cl6.75 N2 O4 -","- C40.886 H22.886 Cl6.658 N2 O4 -","- C163.544 H91.544 Cl26.632 N8 O16 -","4","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.71073","MoKα","","0.118","0.0685","","","0.1735","0.2029","","","","","","1.014","","","","has coordinates","258386","2020-10-21","18:00:00",""
"4518149","10.9772","0.0006","46.096","0.003","10.9795","0.0006","90","","93.001","0.001","90","","5548.1","0.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C192 H216 Cl16 F48 N4 O8 P8 Rh4 S4 Sb8 -","2","1","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0464","0.0426","","","0.099","0.1018","","","","","","1.033","","","","has coordinates","258700","2020-11-04","01:16:57",""
"4518150","10.976","0.0018","46","0.008","10.984","0.0018","90","","93.038","0.003","90","","5538","1.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C95 H110 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C95 H106 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C190 H212 Cl12 F48 Ir4 N4 O12 P8 S4 Sb8 -","2","1","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0606","0.0488","","","0.1042","0.1106","","","","","","0.987","","","","has coordinates","258700","2020-11-04","01:16:58",""
"4518168","6.2294","0.0008","9.8153","0.0016","17.133","0.003","90","","92.88","0.005","90","","1046.2","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O11 S2 -","- C18 H16 N2 O11 S2 -","- C36 H32 N4 O22 S4 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71069","MoKα","","0.0425","0.0388","","","0.0749","0.0766","","","","1.08","1.08","1.09","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518182","6.2973","0.0002","5.2861","0.0002","12.6948","0.0005","90","","93.567","0.003","90","","421.77","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 Cl O -","- C8 H15 Cl O -","- C16 H30 Cl2 O2 -","2","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0432","0.035","","","0.0675","0.0716","","","","","","1.044","","","","has coordinates","258602","2020-10-26","22:25:58",""
"4518215","7.9208","0.0001","5.9641","0.0001","13.9611","0.0002","90","","95.677","0.002","90","","656.294","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H11 Cl2 N S -","- C14 H11 Cl2 N S -","- C28 H22 Cl4 N2 S2 -","2","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.028","0.0263","","","0.0635","0.0642","","","","","","1.054","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518216","12.1646","0.0017","21.938","0.002","16.962","0.002","90","","102.835","0.004","90","","4413.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H90 Br5 N13 Ni4 O3 -","- C81 H90 Br5 N13 Ni4 O3 -","- C162 H180 Br10 N26 Ni8 O6 -","2","1","","Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong","Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines","ACS Catalysis","2020","10","22","13641","13649","10.1021/acscatal.0c03428","","","0.71073","MoKα","","0.0756","0.0511","","","0.1247","0.1352","","","","","","0.992","","","","has coordinates","259504","2020-12-04","02:12:20",""
"4518249","9.9672","0.0004","13.3088","0.0005","17.6941","0.0007","90","","97.059","0.007","90","","2329.36","0.16","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 F2 N O5 S -","- C26 H23 F2 N O5 S -","- C104 H92 F8 N4 O20 S4 -","4","2","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0557","","","","0.1002","","","","","","1.013","","","","has coordinates","259195","2020-11-19","22:29:22",""
"4518251","9.7433","0.0003","7.3884","0.0003","15.0351","0.0005","90","","97.095","0.007","90","","1074.05","0.07","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N O4 S -","- C25 H20 F3 N O4 S -","- C50 H40 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0341","","","","0.0859","","","","","","1.043","","","","has coordinates","259197","2020-11-19","22:30:06",""
"4518259","7.6756","0.0002","20.7238","0.0005","9.8982","0.0003","90","","100.184","0.002","90","","1549.68","0.07","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","2","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","0.71073","MoKα","","0.0464","0.0457","","","0.1024","0.1028","","","","","","1.064","","","","has coordinates,has disorder","259209","2020-11-20","22:56:31",""
"4518266","8.3518","0.0007","9.1518","0.0008","9.0312","0.0009","90","","112.947","0.003","90","","635.67","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C.","Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine","ACS Catalysis","2020","","","14615","14623","10.1021/acscatal.0c04515","","","0.71073","MoKα","","0.0311","0.0295","","","0.0685","0.0692","","","","","","1.103","","","","has coordinates","259259","2020-11-26","22:29:24",""
"4518270","11.4984","0.0006","18.3575","0.001","12.3063","0.0007","90","","115.676","0.003","90","","2341.1","0.2","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","6","","","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C86 H90 Cl4 F12 Fe2 Mo2 N6 O12 S4 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0528","0.0352","","","0.0544","0.0576","","","","","","1.041","","","","has coordinates","259485","2020-12-03","22:23:19",""
"4518293","18.5988","0.0004","13.7054","0.0003","26.5064","0.0004","90","","104.133","0.0016","90","","6552.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H45.5 Br2 F6 I2 O10 -","- C79 H45.5 Br2 F6 I2 O10 -","- C316 H182 Br8 F24 I8 O40 -","4","2","","Lai, Junshan; Fianchini, Mauro; Pericàs, Miquel A.","Development of Immobilized SPINOL-Derived Chiral Phosphoric Acids for Catalytic Continuous Flow Processes. Use in the Catalytic Desymmetrization of 3,3-Disubstituted Oxetanes","ACS Catalysis","2020","","","14971","14983","10.1021/acscatal.0c04497","","","0.71075","MoKα","","0.0993","0.0676","","","0.1666","0.1756","","","","","","1.151","","","","has coordinates,has disorder","259633","2020-12-06","22:22:23",""
"4518325","24.9856","0.001","7.5306","0.0003","24.9215","0.001","90","","166.242","0.0007","90","","1115.21","0.1","150","","150","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Zhang, Dongwei; Yokomori, So; Kameyama, Ryohei; Zhao, Changbin; Ueda, Akira; Zhang, Lei; Kumai, Reiji; Murakami, Youichi; Meng, Hong; Mori, Hatsumi","Effect of Alkyl Chain Length on Charge Transport Property of Anthracene-Based Organic Semiconductors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16144","","","0.99516","synchrotron","","0.0624","0.053","","","0.138","0.1429","","","","","","0.962","","","","has coordinates","259951","2020-12-18","22:08:46",""
"4518389","18.3703","0.0004","8.78618","0.00017","27.0121","0.0005","90","","107.129","0.002","90","","4166.49","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H64 N4 O3 -","- C44 H64 N4 O3 -","- C176 H256 N16 O12 -","4","2","","Cheng, Qiuhong; Duan, Hongdong; Hao, Aiyou; Xing, Pengyao","Photoregulated ""Breathing"" Vesicle with Inversed Supramolecular Chirality.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c20211","","x-ray","1.54184","CuKα","","0.1092","0.0896","","","0.2769","0.2985","","","","","","1.048","","","","has coordinates","260343","2021-01-01","22:13:04",""
"4518412","12.9016","0.0004","9.0322","0.0002","12.9338","0.0003","90","","105.257","0.003","90","","1454.05","0.07","105","9","105","9","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H52 Br2 F2 N4 O8 S4 -","- C52 H52 Br2 F2 N4 O8 S4 -","- C52 H52 Br2 F2 N4 O8 S4 -","1","0.5","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","x-ray","1.54184","CuKα","","0.0802","0.0742","","","0.189","0.1931","","","","","","1.036","","","","has coordinates,has disorder","261116","2021-01-21","22:22:40",""
"4518442","11.9816","0.001","10.5576","0.0007","13.8098","0.0012","90","","93.972","0.003","90","","1742.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","vs_Ru_db_coord2","","","- C38 H46 Cl2 N2 Ru -","- C38 H46 Cl2 N2 Ru -","- C76 H92 Cl4 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0437","0.0358","","","0.0995","0.1149","","","","","","0.599","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518469","12.5558","0.0019","12.2352","0.0018","21.214","0.003","90","","91.478","0.005","90","","3257.9","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 I N3 O5 S -","- C32 H40 I N3 O5 S -","- C128 H160 I4 N12 O20 S4 -","4","2","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0355","0.0322","","","0.0793","0.0817","","","","","","1.043","","","","has coordinates,has disorder","261414","2021-02-03","20:26:54",""
"4518475","8.579","0.003","9.584","0.003","36.054","0.011","90","","94.669","0.012","90","","2954.6","1.7","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O4 -","- C32 H52 O4 -","- C128 H208 O16 -","4","2","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0421","0.0395","","","0.0995","0.1009","","","","","","1.121","","","","has coordinates","261418","2021-02-03","20:29:08",""
"4518480","12.097","0.0012","7.7388","0.0008","15.2512","0.0015","90","","98.357","0.004","90","","1412.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(13R,15aS,16S,111R,111aR,2S)-111,34,2-trihydroxy-56-methoxy-12- methyl-11,12,13,14,15a,16-hexahydro-111H-4,7-dioxa-1(3,6)-3,11a- epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazina-3,5(1,3)- dibenzenacycloheptaphane-11,14,6-trione","","- C29 H30 N2 O12 S2 -","- C29 H30 N2 O12 S2 -","- C58 H60 N4 O24 S4 -","2","1","","Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B.","Endophytic Akanthomyces sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids.","ACS omega","2021","6","3","2184","2191","10.1021/acsomega.0c05472","","","0.71073","MoKα","","0.1094","0.0609","","","0.1169","0.1403","","","","","","1.031","","","","has coordinates","261423","2021-02-03","21:04:05",""
"4518525","10.30461","0.00016","7.07541","0.00011","13.213","0.0002","90","","92.0022","0.0014","90","","962.76","0.03","240","0.1","240","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei","Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes","ACS Catalysis","2021","11","4","2279","2287","10.1021/acscatal.0c04777","","x-ray","1.54184","CuKα","","0.0333","0.0324","","","0.0892","0.0905","","","","","","1.03","","","","has coordinates","262410","2021-03-03","20:37:47",""
"4518536","10.4612","0.0006","6.7009","0.0003","15.9349","0.001","90","","102.822","0.006","90","","1089.17","0.11","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C50 H60 O6 Si2 -","2","1","","Zhang, Liangliang; Oestreich, Martin","Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile","ACS Catalysis","2021","11","6","3516","3522","10.1021/acscatal.1c00436","","x-ray","1.54184","CuKα","","0.0537","0.0414","","","0.0853","0.0938","","","","","","1.061","","","","has coordinates","263579","2021-04-04","09:57:40",""
"4518538","8.183","0.0016","22.095","0.004","17.827","0.004","90","","102.33","0.03","90","","3148.8","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H24.75 Br2 Cl0.75 N2 O4 -","- C40.4255 H24.851 Br2 Cl0.851 N2 O4 -","- C161.702 H99.404 Br8 Cl3.404 N8 O16 -","4","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.066","0.0595","","","0.167","0.1722","","","","","","1.106","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518539","7.836","0.0016","21.112","0.004","18.169","0.004","90","","101.14","0.03","90","","2949.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H25 N3 O4 -","- C41 H25 N3 O4 -","- C164 H100 N12 O16 -","4","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.149","0.0982","","","0.2569","0.3001","","","","","","0.997","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518542","8.6539","0.0002","7.8453","0.0002","13.4413","0.0004","90","","106.621","0.003","90","","874.43","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C38 H34 N2 O12 -","2","1","","Liang, Juncong; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Inverse Evolution of Helicity from the Molecular to the Macroscopic Level Based on N-Terminal Aromatic Amino Acids","ACS Nano","2021","","","","","10.1021/acsnano.0c10876","","x-ray","1.54184","CuKα","","0.0542","0.043","","","0.1025","0.1105","","","","","","1.041","","","","has coordinates","262889","2021-03-08","22:49:30",""
"4518543","8.6041","0.0003","7.8124","0.0002","13.3755","0.0005","90","","106.743","0.004","90","","860.97","0.05","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C38 H34 N2 O12 -","2","1","","Liang, Juncong; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Inverse Evolution of Helicity from the Molecular to the Macroscopic Level Based on N-Terminal Aromatic Amino Acids","ACS Nano","2021","","","","","10.1021/acsnano.0c10876","","x-ray","1.54184","CuKα","","0.0808","0.0784","","","0.1906","0.1937","","","","","","1.064","","","","has coordinates","262890","2021-03-08","22:49:50",""
"4518561","10.5311","0.0003","12.1035","0.0003","14.8941","0.0004","90","","100.65","0.003","90","","1865.75","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H61 Al N2 O3 -","- C38 H61 Al N2 O3 -","- C76 H122 Al2 N4 O6 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0551","0.0432","","","0.0932","0.1056","","","","","","1.034","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518562","14.2817","0.0003","19.6139","0.0002","16.3139","0.0003","90","","112.131","0.002","90","","4233.16","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H124 Al2 N4 O6 -","- C87 H124 Al2 N4 O6 -","- C174 H248 Al4 N8 O12 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0631","0.0555","","","0.1442","0.1582","","","","","","1.036","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518585","10.3118","0.0002","6.4245","0.0001","11.7079","0.0002","90","","105.643","0.002","90","","746.9","0.02","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13.99 H21.99 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis","ACS Omega","2021","","","","","10.1021/acsomega.0c06218","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0921","0.0927","","","","","","1.086","","","","has coordinates,has disorder","263372","2021-03-26","22:34:41",""
"4518586","11.8599","0.0001","24.2844","0.0003","29.9249","0.0003","90","","89.639","0.001","90","","8618.52","0.16","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H76.36 N8 O12 Zn2 -","- C48 H75.0787 N8 O12 Zn2 -","- C288 H450.472 N48 O72 Zn12 -","6","3","","Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis","ACS Omega","2021","","","","","10.1021/acsomega.0c06218","","x-ray","1.54184","CuKα","","0.083","0.0777","","","0.2125","0.2168","","","","","","1.044","","","","has coordinates,has disorder","263373","2021-03-26","22:35:19",""
"4518611","12.2212","0.0004","5.7554","0.0002","12.4922","0.0005","90","","115.284","0.004","90","","794.5","0.06","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui","Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity","ACS Catalysis","2021","","","5287","5293","10.1021/acscatal.1c00225","","x-ray","1.54184","CuKα","","0.0536","0.053","","","0.1493","0.1503","","","","","","1.049","","","","has coordinates","264276","2021-04-17","21:18:03",""
"4518612","12.4647","0.0009","5.1138","0.0004","23.6809","0.0016","90","","101.514","0.007","90","","1479.09","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O4 S -","- C14 H15 Br O4 S -","- C56 H60 Br4 O16 S4 -","4","2","","Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui","Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity","ACS Catalysis","2021","","","5287","5293","10.1021/acscatal.1c00225","","x-ray","1.54184","CuKα","","0.0834","0.0799","","","0.2512","0.253","","","","","","1.045","","","","has coordinates","264277","2021-04-17","21:18:26",""
"4518682","5.9855","0.0007","22.116","0.003","6.1152","0.0007","90","","110.656","0.002","90","","757.46","0.16","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Gd N O8 -","- C12 H14 Gd N O8 -","- C24 H28 Gd2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0691","0.0506","","","0.1167","0.135","","","","","","1.01","","","","has coordinates","264799","2021-05-03","19:56:36",""
"4518685","5.9823","0.0008","22.145","0.003","6.1201","0.0008","90","","110.649","0.001","90","","758.69","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Eu N O8 -","- C12 H14 Eu N O8 -","- C24 H28 Eu2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0454","0.0379","","","0.0955","0.1075","","","","","","1.024","","","","has coordinates","264802","2021-05-03","19:57:47",""
"4518698","17.3627","0.0004","7.45954","0.00017","20.2256","0.0005","90","","92.932","0.002","90","","2616.15","0.11","100","0.12","100","0.12","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Cl F6 N5 O0.5 S -","- C24 H25 Cl F6 N5 O0.5 S -","- C96 H100 Cl4 F24 N20 O2 S4 -","4","2","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0631","0.0591","","","0.1607","0.1681","","","","","","1.019","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518739","7.8347","0.0001","33.8529","0.0003","10.5604","0.0001","90","","111.636","0.001","90","","2603.57","0.05","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H78 B2 N2 O6 P2 -","- C52 H78 B2 N2 O6 P2 -","- C104 H156 B4 N4 O12 P4 -","2","1","","Kubota, Koji; Miura, Daiyo; Takeuchi, Takumi; Osaki, Shun; Ito, Hajime","Synthesis of Chiral α-Amino Tertiary Boronates via the Catalytic Enantioselective Nucleophilic Borylation of Dialkyl Ketimines","ACS Catalysis","2021","","","6733","6740","10.1021/acscatal.1c01689","","x-ray","1.54184","CuKα","","0.0332","0.0324","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates,has disorder","265485","2021-05-25","21:23:21",""
"4518756","10.2799","0.0002","5.2046","0.0001","12.4362","0.0002","90","","91.289","0.001","90","","665.2","0.02","169.99","0.11","169.99","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase","ACS Catalysis","2021","","","6900","6907","10.1021/acscatal.1c01220","","x-ray","1.54184","CuKα","","0.0326","0.0316","","","0.0815","0.0823","","","","","","1.049","","","","has coordinates","265616","2021-05-29","21:24:43",""
"4518757","7.999","0.0002","14.9431","0.0003","11.0324","0.0002","90","","95.829","0.002","90","","1311.88","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O8 -","- C28 H34 N2 O8 -","- C56 H68 N4 O16 -","2","1","","Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase","ACS Catalysis","2021","","","6900","6907","10.1021/acscatal.1c01220","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0763","0.0779","","","","","","1.077","","","","has coordinates","265617","2021-05-29","21:25:05",""
"4518764","11.2079","0.0002","7.4007","0.0001","12.3548","0.0002","90","","107.452","0.001","90","","977.61","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","1.54178","CuKα","","0.0326","0.0304","","","0.0758","0.0781","","","","","","1.044","","","","has coordinates","265724","2021-06-03","19:11:37",""
"4518775","5.9795","0.0002","10.4226","0.0005","8.2748","0.0003","90","","95.08","0.004","90","","513.68","0.04","150","2","150.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The 1H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0764","0.0773","","","","","","1.052","","","","has coordinates","265735","2021-06-03","19:50:17",""
"4518786","17.2358","0.0008","4.9787","0.0002","25.0265","0.0009","90","","97.307","0.004","90","","2130.13","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H50 N2 O6 S2 -","- C50 H50 N2 O6 S2 -","- C100 H100 N4 O12 S4 -","2","1","","Liang, Juncong; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","Hierarchically Evolved Supramolecular Chirality Mediated by Arene-Perfluoroarene Interaction.","ACS applied materials & interfaces","2021","13","24","29170","29178","10.1021/acsami.1c07720","","x-ray","1.54184","CuKα","","0.0714","0.0566","","","0.1442","0.1531","","","","","","1.049","","","","has coordinates","266951","2021-07-04","01:27:50",""
"4518787","13.347","0.003","7.9177","0.0016","13.683","0.003","90","","91.98","0.002","90","","1445.1","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 B F2 N -","- C18 H14 B F2 N -","- C72 H56 B4 F8 N4 -","4","2","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0519","0.0432","","","0.0935","0.0982","","","","","","1.055","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518822","9.7823","0.0005","6.7565","0.0003","11.0023","0.0005","90","","90.42","0.002","90","","727.17","0.06","246","2","246","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0329","0.0321","","","0.0787","0.0796","","","","","","1.084","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518825","7.7829","0.0003","6.2561","0.0003","14.2118","0.0006","90","","91.797","0.002","90","","691.64","0.05","270","2","270","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0373","0.0337","","","0.0874","0.0903","","","","","","1.082","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518843","11.39","0.003","5.9749","0.0019","12.292","0.003","90","","107.52","0.03","90","","797.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","2b","(3R,4R/3S,4S)-Tetrahydroselenophene-3,4-diyl dibenzoate","","- C18 H16 O4 Se -","- C18 H16 O4 Se -","- C36 H32 O8 Se2 -","2","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71075","MoKα","","0.1855","0.1348","","","0.3477","0.3988","","","","","","1.067","","","","has coordinates","266740","2021-06-28","21:34:23",""
"4518854","9.2006","0.0011","6.3392","0.0012","12.694","0.0018","90","","94.419","0.012","90","","738.2","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 O -","- C17 H15 F3 O -","- C34 H30 F6 O2 -","2","1","","Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe","Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes","ACS Catalysis","2021","","","8527","8537","10.1021/acscatal.1c01483","","","0.71073","MoKα","","0.0779","0.0424","","","0.0818","0.1018","","","","","","1.041","","","","has coordinates","266937","2021-07-03","19:32:29",""
"4518870","5.9302","0.0003","21.3945","0.001","13.9168","0.0006","90","","95.871","0.001","90","","1756.41","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana","Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates","ACS Catalysis","2021","","","8968","8977","10.1021/acscatal.1c01826","","","0.71073","MoKα","","0.1011","0.0546","","","0.1044","0.1208","","","","","","1.023","","","","has coordinates","267402","2021-07-08","21:30:50",""
"4518896","8.17106","0.00013","34.8703","0.0006","9.23924","0.00015","90","","91.1734","0.0015","90","","2631.96","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O6 -","- C19 H28 O6 -","- C114 H168 O36 -","6","3","","Chen, Sijia; Zhang, Zhongchao; Jiang, Chongguo; Zhao, Chunbo; Luo, Haojie; Huang, Jun; Yang, Zhen","Stereoselective Synthesis of trans-Decalin-Based Spirocarbocycles via Photocyclization of 1,2-Diketones","ACS Omega","2021","","","","","10.1021/acsomega.1c02054","","x-ray","1.54184","CuKα","","0.035","0.0346","","","0.0905","0.0908","","","","","","1.043","","","","has coordinates","267536","2021-07-14","21:42:54",""
"4518917","8.02112","0.00011","11.95004","0.00014","24.8127","0.0004","90","","94.4773","0.0013","90","","2371.11","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-nitrobenzyl ((2S,3S,4S,6R)-6-((tert-butyldimethylsilyl)oxy)-3-(((2S,4S,5R,6S)-4-((tert-butyldimethylsilyl)oxy)-4,6-dimethyl-5-((((4-nitrobenzyl)oxy)carbonyl)amino)tetrahydro-2H-pyran-2-yl)oxy)-2,4-dimethyltetrahydro-2H-pyran-4-yl)carbamate","","- C42 H66 N4 O13 Si2 -","- C42 H66 N4 O13 Si2 -","- C84 H132 N8 O26 Si4 -","2","1","","Huseman, Eric D.; Byl, Jo Ann W.; Chapp, Scott M.; Schley, Nathan D.; Osheroff, Neil; Townsend, Steven D.","Synthesis and Cytotoxic Evaluation of Arimetamycin A and Its Daunorubicin and Doxorubicin Hybrids","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00040","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0812","0.0822","","","","","","1.026","","","","has coordinates","267721","2021-07-23","21:33:46",""
"4518927","9.3707","0.0003","11.8804","0.0003","12.9994","0.0004","90","","104.809","0.001","90","","1399.12","0.07","173","2","172.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H40 Cl2 Fe N3 P -","- C27 H40 Cl2 Fe N3 P -","- C54 H80 Cl4 Fe2 N6 P2 -","2","1","","Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng","Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates","ACS Catalysis","2021","","","10138","10147","10.1021/acscatal.1c02432","","","1.34139","GaKα","","0.0292","0.026","","","0.0614","0.0648","","","","","","1.073","","","","has coordinates,has disorder","267871","2021-07-31","21:31:38",""
"4518935","8.6182","0.0004","7.3866","0.0004","19.3609","0.001","90","","93.692","0.004","90","","1229.94","0.11","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl F2 N O3 -","- C28 H24 Cl F2 N O3 -","- C56 H48 Cl2 F4 N2 O6 -","2","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.09","0.0612","","","0.147","0.172","","","","","","1.048","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4519011","16.5057","0.0018","14.3305","0.0016","28.243","0.003","90","","90.968","0.002","90","","6679.5","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H10 F6 Fe N O4 S2 -","- C12 H10 F6 Fe N O4 S2 -","- C192 H160 F96 Fe16 N16 O64 S32 -","16","8","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0409","0.0363","","","0.0995","0.1034","","","","","","1.05","","","","has coordinates,has disorder","268436","2021-09-03","20:26:17",""
"4519044","7.6792","0.0015","22.111","0.004","17.75","0.004","90","","90.29","0.03","90","","3013.8","1.1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35.5 H31 B Cl N O -","- C35.5 H31 B Cl N O -","- C142 H124 B4 Cl4 N4 O4 -","4","2","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on B-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0708","0.0624","","","0.1759","0.1842","","","","","","1.075","","","","has coordinates","269471","2021-10-03","19:11:37",""
"4519057","23","0.004","8.9861","0.0017","25.676","0.005","90","","96.451","0.006","90","","5273.1","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 N2 O4 -","- C25 H26 Br2 N2 O4 -","- C200 H208 Br16 N16 O32 -","8","4","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","0.71073","MoKα","","0.1914","0.0722","","","0.142","0.1889","","","","","","1.019","","","","has coordinates,has disorder","269479","2021-10-03","19:49:34",""
"4519063","8.18927","0.00008","12.80314","0.0001","10.83576","0.00009","90","","97.8768","0.0008","90","","1125.39","0.017","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0273","0.0268","","","0.0682","0.0687","","","","","","1.057","","","","has coordinates","269485","2021-10-03","19:52:09",""
"4519091","10.76","0.0003","10.7865","0.0003","13.7635","0.0004","90","","104.181","0.002","90","","1548.75","0.08","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H26 B Br Cl3 F4 N O -","- C32 H26 B Br Cl3 F4 N O -","- C64 H52 B2 Br2 Cl6 F8 N2 O2 -","2","1","","Yoshida, Yasushi; Mino, Takashi; Sakamoto, Masami","Chiral Hypervalent Bromine(III) (Bromonium Salt): Hydrogen- and Halogen-Bonding Bifunctional Asymmetric Catalysis by Diaryl-λ3-bromanes","ACS Catalysis","2021","","","13028","13033","10.1021/acscatal.1c04070","","","1.54178","CuKα","","0.0326","0.031","","","0.0849","0.0868","","","","","","0.686","","","","has coordinates","270230","2021-11-03","20:25:44",""
"4519093","8.611","0.0006","9.7776","0.0006","8.9599","0.0006","90","","105.121","0.008","90","","728.26","0.09","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N -","- C17 H16 Cl N -","- C34 H32 Cl2 N2 -","2","1","","Pan, Yu-Liang; Shao, Ying-Bo; Wang, Jie; Liu, Zhen; Chen, Li; Li, Xin","Kinetic Resolution of 2H-Azirines by Asymmetric Allylation Reactions","ACS Catalysis","2021","","","13752","13760","10.1021/acscatal.1c03875","","x-ray","0.71073","MoKα","","0.0434","0.0365","","","0.0759","0.0788","","","","","","1.033","","","","has coordinates","270232","2021-11-03","20:26:33",""
"4519095","11.6722","0.0002","8.213","0.0002","12.1784","0.0002","90","","100.115","0.001","90","","1149.32","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","1","","Liu, Li-Xia; Huang, Wen-Jun; Xie, Qing-Xian; Wu, Bo; Yu, Chang-Bin; Zhou, Yong-Gui","Dynamic Kinetic Resolution of Flavonoids via Asymmetric Allylic Alkylation: Construction of Two Contiguous Stereogenic Centers on Nucleophiles","ACS Catalysis","2021","","","12859","12863","10.1021/acscatal.1c03732","","","1.54178","CuKα","","0.0507","0.0481","","","0.1202","0.1245","","","","","","1.06","","","","has coordinates","270234","2021-11-03","20:27:19",""
"4519130","8.8163","0.0006","9.9332","0.0007","11.4002","0.0009","90","","95.616","0.003","90","","993.57","0.13","280","2","280.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H50 N2 O8 -","- C46 H50 N2 O8 -","- C46 H50 N2 O8 -","1","0.5","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO2 Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.0742","0.0555","","","0.1403","0.1581","","","","","","1.002","","","","has coordinates","271014","2021-12-03","20:06:40",""
"4519139","8.7046","0.0003","11.9983","0.0004","11.516","0.0004","90","","100.577","0.003","90","","1182.3","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 F N2 O5 -","- C26 H25 F N2 O5 -","- C52 H50 F2 N4 O10 -","2","1","","Lv, Mingjun; Li, Xiaoxun","Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues","ACS Catalysis","2021","","","14829","14835","10.1021/acscatal.1c04460","","x-ray","1.54184","CuKα","","0.0744","0.0663","","","0.1535","0.1627","","","","","","1.055","","","","has coordinates","271020","2021-12-03","20:38:15",""
"4519140","9.7747","0.0003","7.5306","0.0003","14.5872","0.0004","90","","104.962","0.003","90","","1037.35","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl2 N3 O2 -","- C22 H23 Cl2 N3 O2 -","- C44 H46 Cl4 N6 O4 -","2","1","","Lv, Mingjun; Li, Xiaoxun","Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues","ACS Catalysis","2021","","","14829","14835","10.1021/acscatal.1c04460","","x-ray","1.54184","CuKα","","0.0492","0.0426","","","0.111","0.1158","","","","","","1.084","","","","has coordinates,has disorder","271021","2021-12-03","20:38:36",""
"4519161","10.2419","0.0003","15.1653","0.0005","10.3309","0.0003","90","","103.069","0.003","90","","1563.05","0.08","294.3","0.8","294.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 I N2 O3 P -","- C28 H42 I N2 O3 P -","- C56 H84 I2 N4 O6 P2 -","2","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.0664","0.0643","","","0.1636","0.1704","","","","","","1.047","","","","has coordinates","271027","2021-12-03","20:45:53",""
"4519164","9.0907","0.0003","19.9189","0.0008","10.3884","0.0004","90","","94.407","0.001","90","","1875.54","0.12","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","2","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.0664","0.044","","","0.1","0.1132","","","","","","1.018","","","","has coordinates","271030","2021-12-03","20:47:06",""
"4519165","5.693","0.002","7.6997","0.0014","17.596","0.004","90","","90.139","0.016","90","","771.3","0.4","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.1057","0.0392","","","0.1027","0.1169","","","","","","1.028","","","","has coordinates","271031","2021-12-03","20:47:27",""
"4519167","10.2524","0.0001","10.0212","0.0001","19.2295","0.0002","90","","90.56","0.001","90","","1975.57","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H57 O P -","- C48 H57 O P -","- C96 H114 O2 P2 -","2","1","","Zhang, Xi; Wang, Juan; Yang, Shang-Dong","Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands","ACS Catalysis","2021","11","22","14008","14015","10.1021/acscatal.1c04128","","x-ray","1.54184","CuKα","","0.0473","0.0428","","","0.1019","0.1034","","","","","","1.116","","","","has coordinates","271033","2021-12-03","20:48:12",""
"4519168","10.697","0.004","5.5963","0.0019","12.344","0.004","90","","113.17","0.04","90","","679.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 O -","- C15 H15 F3 O -","- C30 H30 F6 O2 -","2","1","","Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe","Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans","ACS Catalysis","2021","11","22","14293","14301","10.1021/acscatal.1c04523","","x-ray","0.71073","MoKα","","0.0754","0.0485","","","0.1042","0.1261","","","","","","1.045","","","","has coordinates","271034","2021-12-03","20:48:34",""
"4519177","9.0544","0.0005","18.8627","0.001","9.465","0.0005","90","","115.243","0.003","90","","1462.16","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 Co P3 Si -","- C27 H44 Co P3 Si -","- C54 H88 Co2 P6 Si2 -","2","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","0.71073","MoKα","","0.0375","0.0301","","","0.0617","0.0639","","","","","","1.015","","","","has coordinates","271043","2021-12-03","20:51:50",""
"4519180","7.5807","0.00012","11.25264","0.00018","21.8958","0.0005","90","","97.6552","0.0019","90","","1851.13","0.06","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","2","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0599","0.0527","","","0.142","0.1509","","","","","","1.024","","","","has coordinates,has disorder","271046","2021-12-03","20:53:08",""
"4519235","8.148","0.0005","10.0931","0.0005","14.7699","0.0008","90","","103.183","0.006","90","","1182.65","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.032","0.0306","","","0.0808","0.0817","","","","","","1.079","","","","has coordinates","271731","2022-01-03","20:55:07",""
"4519236","12.4891","0.0006","10.8641","0.0004","18.442","0.0008","90","","108.646","0.005","90","","2370.92","0.19","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H56 O2 -","- C62 H56 O2 -","- C124 H112 O4 -","2","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.0675","0.0662","","","0.2052","0.206","","","","","","1.113","","","","has coordinates","271732","2022-01-03","20:55:34",""
"4519237","11.5463","0.0001","9.2472","0.0001","12.8427","0.0001","90","","93.224","0.001","90","","1369.06","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 N3 O2 -","- C30 H37 N3 O2 -","- C60 H74 N6 O4 -","2","1","","Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution","ACS Catalysis","2021","","","877","891","10.1021/acscatal.1c04923","","x-ray","1.54184","CuKα","","0.0569","0.05","","","0.1322","0.1339","","","","","","1.284","","","","has coordinates","271733","2022-01-03","20:56:10",""
"4519238","12.1856","0.0004","6.3673","0.0002","21.5285","0.0007","90","","103.252","0.002","90","","1625.9","0.09","149.99","","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","4p","","- C14 H17 Br N4 O2 -","- C14 H17 Br N4 O2 -","- C56 H68 Br4 N16 O8 -","4","2","","Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution","ACS Catalysis","2021","","","877","891","10.1021/acscatal.1c04923","","","1.54178","CuKα","","0.0474","0.0436","","","0.1048","0.1077","","","","","","1.07","","","","has coordinates,has disorder","271734","2022-01-03","20:56:32",""
"4519242","11.8561","0.001","10.1465","0.0008","12.2213","0.0011","90","","91.807","0.009","90","","1469.5","0.2","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","2","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0285","0.0283","","","0.0721","0.0722","","","","","","1.038","","","","has coordinates","271738","2022-01-03","20:58:16",""
"4519250","15.2089","0.0014","6.4415","0.0005","15.8188","0.0013","90","","103.255","0.009","90","","1508.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O5 S -","- C13 H18 N2 O5 S -","- C52 H72 N8 O20 S4 -","4","2","","Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong","Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates","ACS Catalysis","2021","11","24","15141","15148","10.1021/acscatal.1c04849","","x-ray","0.71073","MoKα","","0.0742","0.0572","","","0.108","0.1196","","","","","","1.019","","","","has coordinates","271745","2022-01-03","21:01:54",""
"4519263","7.32853","0.00013","18.8735","0.0003","8.53709","0.00014","90","","95.8653","0.0016","90","","1174.63","0.03","100","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H14 F N5 S3 -","- C28 H14 F N5 S3 -","- C56 H28 F2 N10 S6 -","2","1","","Yu, Ying; Xing, Hao; Park, Hojeong; Zhang, Ruoyao; Peng, Chen; Sung, Herman H.-Y.; Williams, Ian D.; Ma, Chao; Wong, Kam Sing; Li, Shijie; Xiong, Qingping; Li, Min-Hui; Zhao, Zheng; Tang, Ben Zhong","Deep-Red Aggregation-Induced Emission Luminogen Based on Dithiofuvalene-Fused Benzothiadiazole for Lipid Droplet-Specific Imaging","ACS Materials Letters","2021","4","1","159","164","10.1021/acsmaterialslett.1c00570","","","1.54184","CuKα","","0.0207","0.0204","","","0.051","0.0512","","","","","","1.052","","","","has coordinates","271758","2022-01-03","22:06:03",""
"4519269","11.1747","0.0004","7.5361","0.0003","17.8459","0.0007","90","","106.761","0.002","90","","1439.02","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H53 N O3 -","- C30.006 H53.014 N1.001 O3 -","- C60.012 H106.028 N2.002 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.54178","CuKα","","0.0457","0.0445","","","0.1228","0.125","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","272073","2022-01-16","15:32:23",""
"4519270","9.6884","0.0003","7.6904","0.0002","18.3154","0.0006","90","","100.544","0.002","90","","1341.6","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O3 -","- C28 H51 N O3 -","- C56 H102 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.0424","0.041","","","0.1109","0.1123","","","","","","1.084","","","","has coordinates,has Fobs","272074","2022-01-16","15:32:37",""
"4519271","11.0046","0.0003","7.5468","0.0002","17.3286","0.0005","90","","107.764","0.001","90","","1370.52","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O3 -","- C29 H53 N O3 -","- C58 H106 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.54178","CuKα","","0.0451","0.0437","","","0.119","0.1209","","","","","","1.039","","","","has coordinates,has Fobs","272075","2022-01-16","15:32:51",""
"4519273","12.2848","0.0002","7.0415","0.0001","15.9198","0.0003","90","","109.277","0.001","90","","1299.91","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N O4 -","- C27 H51 N O4 -","- C54 H102 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.028","0.0277","","","0.076","0.0763","","","","","","1.017","","","","has coordinates,has Fobs","272077","2022-01-16","15:33:20",""
"4519290","9.8706","0.0004","5.4872","0.0002","20.3442","0.0008","90","","95.248","0.002","90","","1097.26","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 S -","- C22 H24 Cl N O4 S -","- C44 H48 Cl2 N2 O8 S2 -","2","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0374","0.0367","","","0.0935","0.0942","","","","","","1.052","","","","has coordinates,has disorder","272460","2022-02-03","20:37:50",""
"4519318","5.8282","0.0016","6.931","0.0019","56.791","0.015","90","","92.934","0.003","90","","2291.1","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Cetyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide monohydrate","","- C44 H92 Br2 N4 O -","- C44 H92 Br2 N4 O -","- C88 H184 Br4 N8 O2 -","2","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0835","0.0549","","","0.0891","0.0984","","","","","","0.943","","","","has coordinates","272489","2022-02-03","21:28:36",""
"4519329","6.7812","0.0001","22.3955","0.0005","12.8222","0.0002","90","","105.197","0.001","90","","1879.19","0.06","193","2","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Fe N O3 -","- C22 H19 Fe N O3 -","- C88 H76 Fe4 N4 O12 -","4","2","","Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li","Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes","ACS Catalysis","2022","","","3083","3093","10.1021/acscatal.2c00083","","","1.34139","GaKα","","0.0621","0.0495","","","0.1203","0.1294","","","","","","1.028","","","","has coordinates","273239","2022-03-03","20:19:35",""
"4519341","7.6105","0.0006","8.0429","0.0007","15.2788","0.0013","90","","101.481","0.002","90","","916.51","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Fe N O6 -","- C21 H19 Fe N O6 -","- C42 H38 Fe2 N2 O12 -","2","1","","Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin","Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions","ACS Catalysis","2022","12","4","2706","2713","10.1021/acscatal.2c00001","","","0.71073","MoKα","","0.0445","0.0386","","","0.0887","0.0912","","","","","","1.059","","","","has coordinates","273248","2022-03-03","20:26:27",""
"4519344","6.5842","0.0009","11.023","0.0014","8.603","0.0012","90","","101.266","0.004","90","","612.35","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D.","Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2,6)- and (5R)-Methyl-(2R,6R)-hydroxynorketamines.","ACS chemical neuroscience","2022","13","4","510","523","10.1021/acschemneuro.1c00761","","x-ray","0.71073","MoKα","","0.0298","0.027","","","0.0617","0.0638","","","","","","1.033","","","","has coordinates","273251","2022-03-03","20:31:43",""
"4519400","9.5087","0.0001","7.8793","0.0001","18.5965","0.0002","90","","91.407","0.001","90","","1392.87","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N O14 -","- C23 H39 N O14 -","- C46 H78 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0476","0.0452","","","0.1239","0.1282","","","","","","1.064","","","","has coordinates,has disorder","274257","2022-04-03","20:10:54",""
"4519401","9.41201","0.00005","7.9414","0.00005","19.98256","0.00011","90","","97.5366","0.0005","90","","1480.68","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O14 -","- C25 H43 N O14 -","- C50 H86 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0328","0.0326","","","0.0913","0.0916","","","","","","1.038","","","","has coordinates","274258","2022-04-03","20:11:16",""
"4519402","9.41164","0.00019","7.95651","0.00014","20.651","0.0004","90","","100.299","0.0017","90","","1521.51","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N O14 -","- C26 H45 N O14 -","- C52 H90 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","x-ray","1.54184","CuKα","","0.0558","0.0541","","","0.1541","0.1574","","","","","","1.132","","","","has coordinates,has disorder","274259","2022-04-03","20:11:38",""
"4519416","7.1922","0.0018","7.5334","0.0016","12.289","0.003","90","","100.816","0.011","90","","654","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0802","0.0449","","","0.0979","0.1139","","","","","","1.001","","","","has coordinates","274267","2022-04-03","20:16:46",""
"4519428","13.9188","0.0002","7.9078","0.0001","14.5323","0.0002","90","","110.581","0.001","90","","1497.44","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H57 N O6 -","- C30 H57 N O6 -","- C60 H114 N2 O12 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0295","0.0288","","","0.0776","0.0783","","","","","","1.027","","","","has coordinates,has Fobs","274928","2022-05-05","16:28:33",""
"4519429","13.6675","0.0003","7.5914","0.0002","16.113","0.0003","90","","97.613","0.001","90","","1657.08","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H63 N O7 -","- C32 H63 N O7 -","- C64 H126 N2 O14 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0808","0.0802","","","0.223","0.2235","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","274929","2022-05-05","16:28:52",""
"4519430","10.2444","0.0002","7.6716","0.0002","18.0614","0.0004","90","","90.471","0.001","90","","1419.41","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H53 N O4 -","- C30 H53 N O4 -","- C60 H106 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0359","0.0344","","","0.0872","0.0883","","","","","","1.052","","","","has coordinates,has Fobs","274930","2022-05-05","16:29:03",""
"4519431","11.8383","0.0002","7.727","0.0001","17.0565","0.0003","90","","104.126","0.001","90","","1513.06","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0298","0.0291","","","0.0758","0.0765","","","","","","1.045","","","","has coordinates,has Fobs","274931","2022-05-05","16:29:15",""
"4519433","12.9687","0.0014","6.8993","0.0007","14.8695","0.0015","90","","106.707","0.006","90","","1274.3","0.2","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C54 H98 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.34139","GaKα","","0.1342","0.0748","","","0.1912","0.2374","","","","","","1.004","","","","has coordinates,has Fobs","274933","2022-05-05","16:39:22",""
"4519434","9.8247","0.0008","7.5533","0.0007","17.2646","0.0012","90","","96.125","0.005","90","","1273.87","0.18","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C54 H98 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0868","0.0586","","","0.1314","0.1487","","","","","","1.055","","","","has coordinates,has Fobs","274934","2022-05-05","16:39:33",""
"4519481","7.065","0.0008","8.3346","0.001","15.807","0.002","90","","97.369","0.006","90","","923.09","0.19","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.26:0.74 chloride hydrate","","- C17 H27.75 Cl1.73 F0.27 N O1.38 -","- C17 H27.74 Cl1.73 F0.27 N O1.37 -","- C34 H55.48 Cl3.46 F0.54 N2 O2.74 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.209","0.0944","","","0.2725","0.3641","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","291177","2024-04-11","20:13:02",""
"4519482","7.0843","0.0004","8.3389","0.0005","15.7617","0.001","90","","97.211","0.003","90","","923.76","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.29:0.71 chloride hydrate","","- C17 H27.78 Cl1.71 F0.29 N O1.39 -","- C17 H27.78 Cl1.709 F0.291 N O1.39 -","- C34 H55.56 Cl3.418 F0.582 N2 O2.78 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1151","0.081","","","0.229","0.2604","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","291178","2024-04-11","20:13:11",""
"4519483","7.1078","0.0005","8.3133","0.0007","15.8696","0.0013","90","","97.677","0.005","90","","929.32","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.44:0.56 chloride hydrate","","- C17.56 H29.15 Cl1.44 N O1.23 -","- C17.562 H29.15 Cl1.438 N O1.232 -","- C35.124 H58.3 Cl2.876 N2 O2.464 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1176","0.0779","","","0.2305","0.2698","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","291179","2024-04-11","20:13:20",""
"4519484","7.1262","0.0008","8.3024","0.0011","15.852","0.003","90","","97.639","0.009","90","","929.6","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.46:0.54 chloride hydrate","","- C17.53 H28.93 Cl1.47 N O1.16 -","- C17.536 H28.948 Cl1.464 N O1.17 -","- C35.072 H57.896 Cl2.928 N2 O2.34 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.2188","0.117","","","0.3253","0.4067","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","291180","2024-04-11","20:13:29",""
"4519485","7.1317","0.0006","8.316","0.0007","15.8471","0.0016","90","","97.653","0.005","90","","931.48","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.42:0.58 chloride hydrate","","- C17.58 H28.99 Cl1.41 N O1.12 -","- C17.582 H28.972 Cl1.418 N O1.113 -","- C35.164 H57.944 Cl2.836 N2 O2.226 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1397","0.0929","","","0.2795","0.3319","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","291181","2024-04-11","20:13:38",""
"4519486","7.1036","0.0005","8.3072","0.0006","15.8675","0.0012","90","","97.601","0.004","90","","928.13","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.54:0.46 chloride hydrate","","- C17.47 H29.05 Cl1.53 N O1.33 -","- C17.465 H29.051 Cl1.535 N O1.328 -","- C34.93 H58.102 Cl3.07 N2 O2.656 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0754","0.0639","","","0.1736","0.1856","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","291182","2024-04-11","20:13:47",""
"4519488","7.2009","0.0003","8.3544","0.0004","15.8855","0.0008","90","","97.19","0.002","90","","948.14","0.08","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium chloride","","- C18 H30 Cl N O -","- C18 H30 Cl N O -","- C36 H60 Cl2 N2 O2 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1089","0.0965","","","0.2611","0.2918","","","","","","1.305","","","","has coordinates,has disorder,has Fobs","291184","2024-04-11","20:14:07",""
"4519489","7.1158","0.0004","8.3038","0.0006","16.0142","0.0011","90","","98.369","0.004","90","","936.17","0.11","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-bromophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H27.87 Br Cl N O1.43 -","- C17 H27.88 Br Cl N O1.44 -","- C34 H55.76 Br2 Cl2 N2 O2.88 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0799","0.0573","","","0.153","0.1701","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291185","2024-04-11","20:18:28",""
"4519490","7.0858","0.0005","8.3344","0.0006","15.8777","0.0011","90","","98.09","0.004","90","","928.34","0.11","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","Pitolisant Hydrochloride","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H28.16 Cl2 N O1.58 -","- C17 H28.162 Cl2 N O1.581 -","- C34 H56.324 Cl4 N2 O3.162 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0896","0.0558","","","0.1394","0.1612","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","291186","2024-04-11","20:18:38",""
"5000002","11.213","0.002","8.63","0.003","11.243","0.009","90","","91.64","0.05","90","","1087.52","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H17 Br N4 O3 -","- C6 H17 Br N4 O3 -","- C24 H68 Br4 N16 O12 -","4","2","","Koetzle, T. F.; Nabakhtiani, G. N.; Furmanova, N. G.; Chachkhiani, L. G.","","Kristallografiya","1992","37","","1185","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000004","7.617","0.001","6.982","0.001","5.142","0.001","90","","99.84","0.02","90","","269.44","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","","Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F.","The crystal and molecular structure of L-aspartic acid","Acta Crystallographica Section B","1968","24","10","1349","1354","10.1107/S0567740868004280","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000008","5.077","","6.268","","5.38","","90","","113.2","","90","","157.36","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Iitaka, Y.","The crystal structure of β-glycine","Acta Crystallographica","1960","13","1","35","45","10.1107/S0365110X60000066","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000009","5.172","0.005","7.384","0.007","9.474","0.01","90","","97.162","","90","","358.99","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Madden, J. J.; McGandy, E. L.; Seeman, N. C.; Harding, M. M.; Hoy, A.","The crystal structure of the monoclinic form of L-histidine","Acta Crystallographica Section B","1972","28","8","2382","2389","10.1107/S056774087200617X","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000011","7.492","0.001","13.32","0.004","5.879","0.001","90","","97.79","0.01","90","","581.27","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 Cl N2 O4 -","- C6 H19 Cl N2 O4 -","- C12 H38 Cl2 N4 O8 -","2","1","","Koetzle, T. F.; Lehmann, M. S.; Verbist, J. J.; Hamilton, W. C.","Precision neutron diffraction structure determination of protein and nucleic acid components. VII. The crystal and molecular structure of the amino acid L-lysine monohydrochloride dihydrate","Acta Crystallographica Section B","1972","28","","3207","3214","10.1107/S0567740872007757","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000012","9.493","0.002","5.201","0.002","14.831","0.003","90","","99.84","0.02","90","","721.48","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","2","","Dalhus, Bjørn; Görbitz, Carl Henrik","Crystal Structures of Hydrophobic Amino Acids. I. Redeterminations of L-Methionine and L-Valine at 120 K","Acta Chemica Scandinavica","1996","50","","544","548","10.3891/acta.chem.scand.50-0544","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000017","7.45","0.02","5.3","0.01","14.67","0.02","90","","98.8","0.07","90","","572.43","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C22 H26 Cl2 N4 O4 -","2","1","","Takigawa, Takaji; Ashida, Tamaichi; Sasada, Yoshio; Kakudo, Masao","The Crystal Structures of L-Tryptophan Hydrochloride and Hydrobromide","Bulletin of the Chemical Society of Japan","1966","39","11","2369","2378","10.1246/bcsj.39.2369","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000018","4.825","0.001","10.282","0.002","11.823","0.001","90","","99.3","","90","","578.84","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C20 H26 N10 O8 -","2","1","","Lai, T. F.; Marsh, R. E.","The crystal structure of adenosine","Acta Crystallographica Section B","1972","28","7","1982","1989","10.1107/S0567740872005394","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000019","10.394","","7.072","","5.43","","90","","91.42","","90","","399.02","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C10 H24 Cl2 N2 O4 -","2","1","","Ando, O.; Ashida, T.; Sasada, Y.; Kukudo, M.","The crystal structure of L-valine hydrochloride","Acta Crystallographica","1967","23","1","172","173","10.1107/S0365110X67002300","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000020","17.518","0.003","11.502","0.001","6.658","0.001","90","","98.17","0.03","90","","1327.92","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N5 O7 -","- C10 H17 N5 O7 -","- C40 H68 N20 O28 -","4","2","","Thewalt, U.; Bugg, C. E.; Marsh, R. E.","The crystal structure of guanosine dihydrate and inosine dihydrate","Acta Crystallographica Section B","1970","26","8","1089","1101","10.1107/S0567740870003667","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000022","11.159","0.002","14.461","0.002","4.821","0.001","90","","101.15","0.02","90","","763.28","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O10 -","- C12 H13 N2 O10 -","- C24 H26 N4 O20 -","2","1","","Morikawa, K.; Torii, K.; Iitaka, Y.; Tsuboi, M.","Uridine-5-oxyacetic acid methyl ester monohydrate","Acta Crystallographica Section B","1975","31","4","1004","1007","10.1107/S0567740875004384","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000029","7.873","0.002","6.79","0.002","8.638","0.002","90","","98.02","0.02","90","","457.25","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","","Andersen, A. M.","Structural Studies of Metabolic Products of Dopamine. III. Crystal and Molecular Structure of (-)-Adrenaline","Acta Chemica Scandinavica","1975","","","239","244","10.3891/acta.chem.scand.29b-0239","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000068","10.839","0.006","13.349","0.006","4.954","0.005","90","","91.31","0.09","90","","716.61","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Hirotsu, Ken; Shimada, Akira","The Crystal and Molecular Structure of β-Lactose","Bulletin of the Chemical Society of Japan","1974","47","8","1872","1879","10.1246/bcsj.47.1872","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000070","10.13","0.001","9.866","0.002","8.445","0.001","90","","106.92","0.01","90","","807.48","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Hrynchuk, Ronald J.; Barton, Richard J.; Robertson, Beverley E.","The crystal structure of free base cocaine, C~17~H~21~NO~4~","Canadian Journal of Chemistry","1983","61","2","481","487","10.1139/v83-085","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000072","13.375","0.005","5.793","0.002","7.914","0.003","90","","93.91","0.03","90","","611.76","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Kim, Yang Bae; Song, Hyun June; Park, Il Yeong","Refinement of the structure of naproxen, (+)-6-methoxy-α-methyl-2-naphthaleneacetic acid","Archives of Pharmacal Research","1987","10","4","232","238","10.1007/BF02857746","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000079","6.188","0.001","11.863","0.002","12.058","0.002","90","","91.91","0.01","90","","884.66","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","pregnenolone","","","- C21 H32 O2 -","- C21 H32 O2 -","- C42 H64 O4 -","2","1","","Bordner, J.; Hennesee, G. L. A.; Chandross, R. J.","","Crystal Structure Communications","1978","7","","513","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","187368","2020-10-21","18:00:00",""
"5000083","9.56","0.02","7.9","0.03","11.78","0.02","90","","111.37","0.03","90","","828.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","High, D. F.; Kraut, J.","The crystal structure of androsterone","Acta Crystallographica","1966","21","1","88","96","10.1107/S0365110X66002378","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000105","7.7235","0.0005","8.6786","0.0007","10.824","0.001","90","","102.982","0.003","90","","706.98","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000110","14.666","0.002","5.324","0.007","9.606","0.003","90","","94.06","0.03","90","","748.17","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","","Coll, M.; Solans, X.; Font-Altaba, M.; Subirana, J. A.","Structure of L-leucine: a redetermination","Acta Crystallographica Section C","1986","42","5","599","601","10.1107/S0108270186095240","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000123","5.711","0.001","11.996","0.002","17.664","0.002","90","","94.3","0.01","90","","1206.74","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 -","- C10 N5 O4 -","- C40 N20 O16 -","4","2","","Camerman, A.; Mastropaolo, D.; Camerman, N.","Azidothymidine: crystal structure and possible functional role of the azido group","Proceedings of the National Academy of Sciences of the United States of America","1987","84","23","8239","8242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000129","14.21","0.02","7.65","0.01","13.24","0.02","90","","115.53","0.05","90","","1298.74","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 I N3 O4 -","- C13.5 H15.5 I0.5 N1.5 O1.5 -","- C54 H62 I2 N6 O6 -","4","2","","Baker, R. W.; Chothia, C.; Pauling, P.; Weber, H. P.","Molecular Structure of LSD","Science","1972","178","4061","614","615","10.1126/science.178.4061.614","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000181","8.441","0.002","6.14","0.001","9.438","0.001","90","","97.96","0.01","90","","484.44","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C14 H10 -","- C14 H10 -","- C28 H20 -","2","1","","Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B.","Orientational disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K","Acta Crystallographica Section B","1990","46","6","830","832","10.1107/S0108768190007510","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000182","8.48","0.002","6.154","0.002","13.515","0.003","90","","90.46","0.01","90","","705.27","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","De, A.; Ghosh, R.; Roychowdhury, S.; Roychowdhury, P.","Structural analysis of picene, C~22~H~14~","Acta Crystallographica Section C","1985","41","6","907","909","10.1107/S0108270185005959","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000191","4.7907","0.0001","9.4884","0.0001","17.7307","0.0001","90","","94.446","0.001","90","","803.54","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","2","","Schouten, Arie; Kanters, Jan A.; Kroon, Jan; Comini, Serge; Looten, Philippe; Mathlouthi, Mohamed","Conformational polymorphism of D-sorbitol (D-glucitol): the crystal and molecular structures of D-glucitol 2/3-hydrate and εD-glucitol","Carbohydrate Research","1998","312","3","131","137","10.1016/S0008-6215(98)00243-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000192","47.1","0.08","5.26","0.01","31.14","0.06","90","","132.9","0.2","90","","5651.43","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H23 Br O -","- C11 Br O -","- C198 Br18 O18 -","18","9","","Rosen, L. S.; Hybl, A.","The crystal structure of 11-bromoundecanol","Acta Crystallographica Section B","1972","28","2","610","617","10.1107/S0567740872002833","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000235","12.559","0.003","14.263","0.003","13.739","0.001","90","","106.13","0.01","90","","2364.17","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H70 O14 -","- C50 H70 O14 -","- C100 H140 O28 -","2","1","","Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E.","Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion","Journal of the American Chemical Society","1995","117","41","10252","10263","10.1021/ja00146a010","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000245","11.553","0.001","9.759","0.001","11.9","0.002","90","","114.56","0.01","90","","1220.29","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C50 H80 O10 -","2","1","","Capon, Robert J.; MacLeod, John K.; Willis, Anthony C.","Trunculins A and B, norsesterterpene cyclic peroxides from a marine sponge, Latrunculia brevis","Journal of Organic Chemistry","1987","52","3","339","342","10.1021/jo00379a004","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000248","8.545","0.003","10.639","0.005","11.994","0.005","90","","100.42","0.03","90","","1072.4","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Br O3 -","- C23 H29 Br O3 -","- C46 H58 Br2 O6 -","2","1","","Djura, Peter; Stierle, Donald B.; Sullivan, Brian; Faulkner, D. John; Arnold, Edward V.; Clardy, Jon","Some metabolites of the marine sponges Smenospongia aurea and Smenospongia (Polyfibrospongia) echina","Journal of Organic Chemistry","1980","45","8","1435","1441}","10.1021/jo01296a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000261","10.275","0.005","9.5861","0.0029","20.446","0.012","90","","117.81","0.04","90","","1781.27","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 Br O2 -","- C17 H27 Br O2 -","- C68 H108 Br4 O8 -","4","2","","Baker, Bill; Ratnapala, Lal; Mahindaratne, M. P. D; de Silva, E. Dilip; Tillekeratne, L. M. V.; Jeong, Jeong Hwa; Scheuer, Paul J.; Seff, Karl","Lankalapuol a and b: two cis-eudesmanes from the sea hare aplysia dactylomela","Tetrahedron","1988","44","15","4695","4701","10.1016/S0040-4020(01)86172-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000262","11.993","0.002","6.283","0.002","13.558","0.002","90","","106.01","","90","","982","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Kigoshi, Hideo; Niwa, Haruki; Yamada, Kiyoyuki; Stout, Thomas J.; Clardy, Jon","The three-dimensional structure of neohalicholactone, an unusual fatty acid metabolite from the marine sponge halichondria okadai kadota","Tetrahedron Letters","1991","32","22","2427","2428","10.1016/S0040-4039(00)74344-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000264","11.816","0.003","10.294","0.004","21.255","0.004","90","","107.6","0.2","90","","2464.31","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O8 -","- C25 H36 O7 -","- C100 H144 O28 -","4","2","","Roussis, Vassilios; Wu, Zhongde; Fenical, William; Strobel, Scott A.; Van Duyne, Gregory D.; Clardy, Jon","New anti-inflammatory pseudopterosins from the marine octocoral Pseudopterogorgia elisabethae","Journal of Organic Chemistry","1990","55","16","4916","4922","10.1021/jo00303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000265","7.837","0.005","3.88","0.003","11.518","0.009","90","","97.09","0.06","90","","347.56","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H5 N3 O S -","- C6 H5 N3 O S -","- C12 H10 N6 O2 S2 -","2","1","","de Silva, E. Dilip; Racok, Julie S.; Andersen, Raymond J.; Allen, Theresa M.; Brinen, Linda S.; Clardy, Jon","Neamphine, a sulfur containing aromatic heterocycle isolated from the marine sponge neamphius huxleyi","Tetrahedron Letters","1991","32","24","2707","2710","10.1016/0040-4039(91)85064-C","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000275","9.593","0.005","7.815","0.005","11.342","0.005","90","","99.47","0.04","90","","838.71","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O -","- C19 H25 N O -","- C38 H50 N2 O2 -","2","1","","Williams, Geoffrey M.; Roughley, Stephen D.; Davies, John E.; Holmes, Andrew B.; Adams, Joseph P.","Synthesis of (-)-Histrionicotoxin by a Tandem Process","Journal of the American Chemical Society","1999","121","20","4900","4901","10.1021/ja990138l","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000281","10.252","0.002","22.074","0.006","6.417","0.001","90","","99.95","0.01","90","","1430.34","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N3 O5 -","- C28 N3 O5 -","- C56 N6 O10 -","2","1","","Yamazaki, Mikio; Okuyama, Emi; Kobayashi, Makoto; Inoue, Hironao","The structure of paraherquamide, a toxic metabolite from penicillium paraherquei","Tetrahedron Letters","1981","22","2","135","136","10.1016/0040-4039(81)80168-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000282","7.342","0.001","6.089","0.001","9.53","0.002","90","","97.58","0.01","90","","422.32","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N O3 -","- C7 H15 N O3 -","- C14 H30 N2 O6 -","2","1","","Gandour, Richard David; Colucci, William Jay; Fronczek, Frank R.","Crystal structures of carnitine and acetylcarnitine zwitterions: A structural hypothesis for mode of action","Bioorganic Chemistry","1985","13","3","197","208","10.1016/0045-2068(85)90022-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000284","5.68","","12.78","","6.23","","90","","107.43","","90","","431.47","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl N2 O6 -","- C5 H10 Cl N2 O6 -","- C10 H20 Cl2 N4 O12 -","2","1","","Fan, Hai-Fu; Lin, Cheng-Chung","The Crystal Structure of Cucurbitine Perchlorate and the Absolute Configuration of the Cucurbitine Molecule","Acta Physica Sinica","1965","21","2","253","","","","","","","","","","","","","","","","","","","","","","","has coordinates","187367","2020-10-21","18:00:00",""
"5000301","10.2933","0.0003","15.1724","0.0004","17.7016","0.0005","90","","97.2911","0.0012","90","","2742.18","0.13","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Cl2 Cu2 N6 -","- C22 H38 Cl2 Cu2 N6 -","- C88 H152 Cl8 Cu8 N24 -","4","2","","","","","","","","","","","","","0.71073","MoKα","","","0.0293","","","","0.0314","","","","","","0.6352","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000346","11.06","0.002","18.361","0.003","11.1248","0.0019","90","","110.232","0.009","90","","2119.7","0.7","105","","105","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H70 B K N4 O3 -","- C42 H70 B K N4 O3 -","- C84 H140 B2 K2 N8 O6 -","2","1","","","","","","","","","","","","","0.71069","MoKα","","","0.1033","","","","0.1067","","","","","","2.0785","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000372","13.105","0.004","18.631","0.006","20.543","0.006","90","","94.035","0.016","90","","5003","3","104","","104","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H152 Mo2 N2 O12 -","- C103.6 H133.6 Mo2 N2 O10.2 -","- C207.2 H267.2 Mo4 N4 O20.4 -","2","1","","Malcolm H. Chisholm; Kirsten Folting; William E. Streib; De-Dong Wu","Dinuclear Molybdenum and Tungsten Complexes with Metal-Metal Triple Bonds Supported by p-tert-Butylcalix[4]arene Ligands","Inorganic Chemistry","1999","38","","5219","5229","10.1021/ic990513a","","","0.71069","MoKα","","","0.067","","","","0.0662","","","","","","1.5027","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000388","9.8688","0.0005","7.0875","0.0003","11.4196","0.0005","90","","101.821","0.001","90","","781.81","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5910095","8.15","","5.22","","6.58","","90","","83.52","","90","","278.145","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","barytocalcite","","- C2 Ba Ca O6 -","- C4 Ba2 Ca2 O12 -","- C4 Ba2 Ca2 O12 -","","","","Wyckoff, R. W. G.","Page 54 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst/","The second edition supplement of The Structure of Crystals","1935","","","54","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910162","6.546","","8.6","","5.508","","90","","102.22","","90","","303.05","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cl2 N2 S3 -","- Cl8 N8 S12 -","- Cl8 N8 S12 -","","","","Wyckoff, R. W. G.","Pages 101 & 102 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000204","11.289","","20.644","","11.632","","90","","90.81","","90","","2710.57","","","","","","","","","","","","","3","P 1 21 1","","","","","","- C27 H36 O12 -","","","","","","Schenk, H.; Driessen, R. A. J.; de Gelder, R.; Goubitz, K.; Nieboer, H.; Brüggemann-Rotgans, I. E. M.; Diepenhorst, P.","Elucidation of the structure of Solanoeclepin A, a natural hatching factor of potato and tomato cyst nematodes, by single-crystal x-ray diffraction","Croatica Chemica Acta","1999","72","2-3","593","606","","","","","","","","","","","","","","","","","","","","","","","175218","2020-10-21","18:00:00",""
"6000230","7.6733","0.0004","9.6398","0.0005","7.0852","0.0003","90","","106.195","","90","","503.29","0.04","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H17 Co N6 O7 -","- C Co N6 O7 -","- C2 Co2 N12 O14 -","2","1","","Zhu, J. H.; Wu, H. X.; Le Bail, A.","Structure of [Co(NH3)(5)CO3]NO3·H2O","Solid State Sciences","1999","1","","55","62","10.1016/S1293-2558(00)80064-3","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.053","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000256","16.0608","","5.3829","","3.6383","","90","","92.869","","90","","314.15","","","","","","","","","","","","","4","P 1 21 1","","","","","","- C7 H5 Na O3 -","","","","","","Dinnebier, R. E.; von Dreele, R.; Stephens, P. W.; Jelonek, S.; Sieler, J.","Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder diffraction: application of a phenomenological model of anisotropic peak width","Journal of Applied Crystallography","1999","32","","761","769","10.1107/S0021889899005233","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000299","7.616","","16.459","","7.704","","90","","102.48","","90","","942.89","","","","","","","","","","","","","3","P 1 21 1","","","","","","- Ce6 O25 Ta6 -","","","","","","Thompson, J. G.; Rae, A. D.; Bliznyuk, N.; Withers, R. L.","Ordering of Ce-III/Ce-IV and interstitial oxygens in CeTaO4+x (x approximate to 0.17) superstructure","Journal of Solid State Chemistry","1999","144","","240","246","10.1006/jssc.1998.8030","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000389","8.374","","12.81","","8.307","","90","","106.19","","90","","855.76","","","","","","","","","","","","","5","P 1 21 1","","","","","","- H15 Na Ni4 O22 P4 -","","","","","","Hamanaka, N.; Imoto, H.","Syntheses, structures, and magnetic properties of metal(II) phosphates with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg)","Inorganic Chemistry","1998","37","","5844","5850","10.1021/ic980595n","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000423","5.5593","","5.4151","","11.773","","90","","90.144","","90","","354.42","","","","","","","","","","","","","3","P 1 21 1","","","","","","- Co3 La3 O8 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure, thermal and magnetic properties of La3Co3O8. Phase relations for LaCoO3-delta (0.00 <=delta <= 0.50) at 673 k","Journal of Materials Chemistry","1998","8","","2081","2088","10.1039/a801796d","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000500","8.0248","0.0004","25.9554","0.0014","9.0127","0.0005","90","","100.151","0.001","90","","1847.8","0.2","293","2","293","2","","","","","","","hydrothermal synthesis","6","P 1 21 1","P 2yb","4","","","","- C12 H36 Ga4 N4 O30 P6 -","- C12 Ga4 N4 O30 P6 -","- C24 Ga8 N8 O60 P12 -","2","1","","Kwang-Hwa Lii; Ching-Yeh Chen","Synthesis and characterization of (R-C5H14N2)(2)[Ga-4(C2O4)(H2PO4)(2)(PO4)(4)].2H(2)O, a layered gallium phosphatooxalate containing a chiral amine","Inorganic Chemistry","2000","39","","3374","3378","10.1021/ic991356i","","","0.71073","MoKα","","0.0382","0.0348","","0.098","0.0957","","","","1.031","1.052","1.052","","","","","has coordinates","176292","2020-10-21","18:00:00",""
"6000696","5.6132","","6.0986","","6.956","","90","","92.35","","90","","237.92","","","","","","","","","","","","","4","P 1 21 1","","","","","","- Cu2 H3 N O6 -","","","","","","Guillou, N.; Louer, M.; Louer, D.","An X-RAY and neutron powder diffraction study of a new polymorphic phase of copper hydroxide nitrate","Journal of Solid State Chemistry","1994","109","","307","314","10.1006/jssc.1994.1108","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000709","5.033","","5.237","","6.453","","90","","108.74","","90","","161.07","","","","","","","","","","","","","3","P 1 21 1","","","","","","- C2 Hg O4 -","","","","","","Christensen, A. N.; Norby, P.; Hanson, J. C.","A crystal-structure determination of HgC~2~O~4~ from synchrotron X-RAY and neutron powder diffraction data","Zeitschrift für Kristallographie","1994","209","11","874","877","10.1524/zkri.1994.209.11.874","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000710","6.8738","","4.9178","","5.7018","","90","","98.829","","90","","190.46","","","","","","","","","","","","","5","P 1 21 1","","","","","","- B F0.25 H0.75 O3.75 Zn2 -","","","","","","Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.","OH-F disorder in non-centrosymmetric Zn2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and nmr study; comparison with tridymite and fluoride borates","Journal of Alloys and Compounds","2000","305","","49","57","10.1016/S0925-8388(00)00713-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000754","6.8738","","4.9118","","5.7018","","90","","98.829","","90","","190.23","","","","","","","","","","","","","5","P 1 21 1","","","","","","- B F0.25 H0.75 O4.75 Zn2 -","","","","","","Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.","OH-F disorder in non-centrosymmetric Zn-2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and nmr study; comparison with tridymite and fluoride borates","Journal of Alloys and Compounds","2001","315","","285","","10.1016/S0925-8388(01)00891-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000035","8.0197","0.0008","11.8664","0.0012","16.0172","0.0016","90","","95.709","0.002","90","","1516.7","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl2 F6 N8 P Rh -","- C23 H30 Cl2 F6 N8 P Rh -","- C46 H60 Cl4 F12 N16 P2 Rh2 -","2","1","","Gonzalez, Veronica; Adams, Harry; Thomas, Jim A.","A convenient synthetic route to half-sandwich rhodium(III) complexes of the tripodal ligand tris(3,5-dimethylpyrazolyl)methane.","Dalton transactions (Cambridge, England : 2003)","2005","","1","110","115","10.1039/b410876k","","","0.71073","MoKα","","0.04","0.0342","","","0.0725","0.075","","","","","","1.019","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000083","8.2175","0.0004","15.2313","0.0008","10.7289","0.0005","90","","98.82","0.001","90","","1326.98","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H36 F6 N3 Ni O5 P -","- C22 H36 F6 N3 Ni O5 P -","- C44 H72 F12 N6 Ni2 O10 P2 -","2","1","","Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose","Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","104","109","10.1039/b413547d","","","0.71073","MoKα","","0.0411","0.0405","","","0.1125","0.1129","","","","","","1.057","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000135","12.671","0.003","11.944","0.002","15.545","0.003","90","","112.22","0.03","90","","2177.9","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","Calix(4)phyrine (2)","","","- C46 H42 Cl6 Fe2 N4 -","- C46 H42 Cl6 Fe2 N4 -","- C92 H84 Cl12 Fe4 N8 -","2","1","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0525","0.0435","","","0.1063","0.1141","","","","","","1.061","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000336","12.1586","0.001","21.8677","0.0017","12.826","0.001","90","","112.504","0.001","90","","3150.5","0.4","187","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H80 Lu N10 P Si2 -","- C62 H80 Lu N10 P Si2 -","- C124 H160 Lu2 N20 P2 Si4 -","2","1","","Liu, Bo; Cui, Dongmei","Rare-earth metal complexes stabilized by amino-phosphine ligand. Reaction with mesityl azide and catalysis of the cycloaddition of organic azides and aromatic alkynes","Dalton Transactions","2009","","3","550","556","10.1039/b811363g","","","0.71073","MoKα","","0.069","0.0499","","","0.0925","0.0981","","","","","","0.868","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000339","12.0822","0.001","21.7373","0.0018","12.8265","0.001","90","","112.738","0.001","90","","3106.9","0.4","187","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H80 N10 P Sc Si2 -","- C62 H80 N10 P Sc Si2 -","- C124 H160 N20 P2 Sc2 Si4 -","2","1","","Liu, Bo; Cui, Dongmei","Rare-earth metal complexes stabilized by amino-phosphine ligand. Reaction with mesityl azide and catalysis of the cycloaddition of organic azides and aromatic alkynes","Dalton Transactions","2009","","3","550","556","10.1039/b811363g","","","0.71073","MoKα","","0.0579","0.0456","","","0.0731","0.0772","","","","","","0.895","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000403","13.6244","0.0002","12.4912","0.0002","16.4535","0.0003","90","","106.31","0.001","90","","2687.46","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C18 H36 B18 Co N -","- C18 H36 B18 Co N -","- C72 H144 B72 Co4 N4 -","4","2","","Šícha, Václav; Plešek, Jaromír; Kvíčalová, Magdalena; Císařová, Ivana; Grüner, Bohumír","Boron(8) substituted nitrilium and ammonium derivatives, versatile cobalt bis(1,2-dicarbollide) building blocks for synthetic purposes","Dalton Transactions","2009","","5","851","860","10.1039/b814941k","","","0.71073","MoKα","","0.0355","0.0328","","","0.0828","0.0845","","","","","","1.065","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000558","12.859","0.006","24.674","0.009","19.224","0.009","90","","101.57","0.04","90","","5976","5","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C122 H99 B2 Co F51 Ga3 -","- C122 H99 B2 Co F51 Ga3 -","- C244 H198 B4 Co2 F102 Ga6 -","2","1","","Bollermann, Timo; Puls, Arik; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.","Reactions of cationic transition metal acetonitrile complexes [M(CH3CN)n]m+ with GaCp*: novel gallium complexes of iron, cobalt, copper and silver","Dalton Transactions","2009","","8","1372","","10.1039/b815319a","","","0.71073","MoKα","","0.1013","0.0518","","","0.0767","0.0877","","","","","","0.759","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000564","8.203","0.0016","16.295","0.003","8.4244","0.0017","90","","97.57","0.03","90","","1116.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H11 B F15 P -","- C22 H11 B F15 P -","- C44 H22 B2 F30 P2 -","2","1","","Welch, Gregory C.; Prieto, Roberto; Dureen, Meghan A.; Lough, Alan J.; Labeodan, Oijsamola A.; Höltrichter-Rössmann, Thorsten; Stephan, Douglas W.","Reactions of phosphines with electron deficient boranes","Dalton Transactions","2009","","9","1559","1570","10.1039/b814486a","","","0.71073","MoKα","","0.0446","0.04","","","0.1007","0.1052","","","","","","1.03","","","","has coordinates","209563","2020-10-21","18:00:00",""
"7000703","9.652","0.0002","14.0097","0.0003","11.7256","0.0003","90","","103.012","0.001","90","","1544.84","0.06","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H31 Fe2 N O4 P2 S2 -","- C28 H31 Fe2 N O4 P2 S2 -","- C56 H62 Fe4 N2 O8 P4 S4 -","2","1","","Li, Ping; Wang, Mei; Chen, Lin; Liu, Jihong; Zhao, Zhenbo; Sun, Licheng","Structures, protonation, and electrochemical properties of diiron dithiolate complexes containing pyridyl-phosphine ligands","Dalton Transactions","2009","","11","1919","1926","10.1039/b814336f","","","0.71073","MoKα","","0.0344","0.0291","","","0.0691","0.0717","","","","","","1.016","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7000710","12.513","0.017","14.546","0.017","12.896","0.018","90","","104.337","0.006","90","","2274","5","103","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H59 Rh3 S6 -","- C42 H59 Rh3 S6 -","- C84 H118 Rh6 S12 -","2","1","","Shibata, Yusuke; Zhu, Baohua; Kume, Shoko; Nishihara, Hiroshi","Development of a versatile synthesis method for trinuclear Co(iii), Rh(iii), and Ir(iii) dithiolene complexes, and their crystal structures and multi-step redox properties","Dalton Transactions","2009","","11","1939","1943","10.1039/b815560g","","","0.71069","MoKα","","","0.0965","","","","0.2671","","","","","","1.041","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000711","12.543","0.01","14.718","0.011","12.958","0.01","90","","104.333","0.003","90","","2318","3","103","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H45 Ir3 S6 -","- C36 H45 Ir3 S6 -","- C72 H90 Ir6 S12 -","2","1","","Shibata, Yusuke; Zhu, Baohua; Kume, Shoko; Nishihara, Hiroshi","Development of a versatile synthesis method for trinuclear Co(iii), Rh(iii), and Ir(iii) dithiolene complexes, and their crystal structures and multi-step redox properties","Dalton Transactions","2009","","11","1939","1943","10.1039/b815560g","","","0.7107","MoKα","","","0.083","","","","0.2342","","","","","","1.061","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000784","12.8773","0.0014","14.4853","0.0016","21.568","0.002","90","","98.23","0.002","90","","3981.7","0.7","97","2","97","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H86 N6 O25 Rh12 Sn -","- C61 H86 N6 O25 Rh12 Sn -","- C122 H172 N12 O50 Rh24 Sn2 -","2","1","","Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Heaton, Brian T.; Iggo, Johnathan A.; Zanello, Piero; Fedi, Serena; Garland, Marc V.; Li, Chuanzhao","The loss of CO from [Rh12(μ12-Sn)(CO)27]4−: Synthesis, spectroscopic and structural characterization of the electron-deficient, icosahedral [Rh12(μ12-Sn)(CO)25]4− and [Rh12(μ12-Sn)(CO)26]4− tetra-anions","Dalton Transactions","2009","","12","2217","2223","10.1039/b818944g","","","0.71073","MoKα","","0.0695","0.0455","","","0.0886","0.0995","","","","","","1.022","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000980","10.27","0.003","22.142","0.006","10.282","0.003","90","","100.96","0.02","90","","2295.5","1.1","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","compound (10)","Dichloro-{(Sp,Sp)-[2,2""-bis(diphenylphosphino-κP)-1,1""-biferrocene]} palladium(II) bis-trichloromethane mono-aqua solvate","","- C46 H40 Cl8 Fe2 O P2 Pd -","- C46 H39.38 Cl8 Fe2 O0.69 P2 Pd -","- C92 H78.76 Cl16 Fe4 O1.38 P4 Pd2 -","2","1","","Espino, Gustavo; Xiao, Li; Puchberger, Michael; Mereiter, Kurt; Spindler, Felix; Manzano, Blanca R.; Jalón, Félix A.; Weissensteiner, Walter","Synthesis, coordination behaviour, structural features and use in asymmetric hydrogenations of bifep-type biferrocenes","Dalton Transactions","2009","","15","2751","2763","10.1039/b816544k","","","0.71073","MoKα","","0.0483","0.0461","","","0.1064","0.1086","","","","","","1.043","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001109","12.3132","0.0004","10.4178","0.0003","17.2315","0.0005","90","","98.306","0.002","90","","2187.21","0.11","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C50 H50 Cu Fe2 N4 O7 -","- C50 H48 Cu Fe2 N4 O7 -","- C100 H96 Cu2 Fe4 N8 O14 -","2","1","","Sahoo, Subash Chandra; Ray, Manabendra","Formation of a narrow chiral cavity in bis-copper(ii) complexes of ferrocenylmethyl-l-tyrosine and its interaction with achiral guests","Dalton Transactions","2009","","17","3230","3236","10.1039/b819915a","","","0.71073","MoKα","","0.0759","0.037","","","0.0485","0.0526","","","","","","1.069","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001110","13.2115","0.0003","11.5925","0.0003","13.9124","0.0003","90","","110.072","0.001","90","","2001.33","0.08","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cu Fe2 N2 O9 -","- C41 H47 Cu Fe2 N2 O9 -","- C82 H94 Cu2 Fe4 N4 O18 -","2","1","","Sahoo, Subash Chandra; Ray, Manabendra","Formation of a narrow chiral cavity in bis-copper(ii) complexes of ferrocenylmethyl-l-tyrosine and its interaction with achiral guests","Dalton Transactions","2009","","17","3230","3236","10.1039/b819915a","","","0.71073","MoKα","","0.0313","0.0249","","","0.0553","0.0569","","","","","","0.976","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001113","10.1979","0.0003","18.8871","0.0005","15.4161","0.0005","90","","99.493","0.001","90","","2928.61","0.15","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","(Gd2Ni2(pro)4(NO3)6(MeCN)4).4(H2O)","","","- C28 H52 Gd2 N14 Ni2 O30 -","- C28 H44 Gd2 N14 Ni2 O30 -","- C56 H88 Gd4 N28 Ni4 O60 -","2","1","","Igarashi, Satoshi; Kawaguchi, Shin-ichi; Yukawa, Yasuhiko; Tuna, Floriana; Winpenny, Richard E. P.","A cyclic tetranuclear Ni2Gd2 complex bridged by amino acidato ligands, with an S = 9 ground state, derived from ferromagnetic spin-coupling between nickel(ii) and gadolinium(iii) ions","Dalton Transactions","2009","","17","3140","3142","10.1039/b823366g","","","0.7107","MoKα","","0.0834","0.052","","","0.1421","0.1472","","","","","","1.208","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001131","7.8158","0.0004","19.9593","0.0015","8.6633","0.0007","90","","116.07","0.04","90","","1214","0.4","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H5 F12 Mn N4 O4 S2 -","- C17 H5 F12 Mn N4 O4 S2 -","- C34 H10 F24 Mn2 N8 O8 S4 -","2","1","","Hearns, Nigel G. R.; Clérac, Rodolphe; Jennings, Michael; Preuss, Kathryn E.","Manipulating the crystal packing of pyDTDA radical ligand coordination complexes with Mn(ii) and Ni(ii)","Dalton Transactions","2009","","17","3193","3203","10.1039/b817214e","","","0.71073","MoKα","","0.0774","0.0617","","","0.145","0.1533","","","","","","1.096","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001152","8.372","0.004","12.813","0.006","13.103","0.007","90","","105.509","0.005","90","","1354.4","1.2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Br2 Cu N6 -","- C30 H27 Br2 Cu N6 -","- C60 H54 Br4 Cu2 N12 -","2","1","","Li, Dongdong; Tian, Jinlei; Kou, Yingying; Huang, Fuping; Chen, Gongjun; Gu, Wen; Liu, Xin; Liao, Daizheng; Cheng, Peng; Yan, Shiping","Synthesis, X-ray crystal structures, magnetism, and DNA cleavage properties of copper(ii) complexes with 1,4-tpbd ligand","Dalton Transactions","2009","","18","3574","3583","10.1039/b823472h","","","0.7107","MoKα","","0.0691","0.0546","","","0.1029","0.1121","","","","","","1.014","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001167","17.5189","0.0006","11.7341","0.0002","20.1579","0.0007","90","","99.51","0.002","90","","4086.9","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H55 F15 K3 N11 O19 S5 U2 -","- C60 H55 F15 K3 N11 O19 S5 U2 -","- C120 H110 F30 K6 N22 O38 S10 U4 -","2","1","","Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions","Dalton Transactions","2009","","18","3478","3494","10.1039/b820659g","","","0.71073","MoKα","","0.0597","0.0546","","","0.1358","0.1387","","","","","","1.049","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001239","9.8132","0.0001","20.1279","0.0003","16.9731","0.0002","90","","93.464","0.001","90","","3346.39","0.07","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Fe I O3 -","- C16 H19 Fe I O3 -","- C128 H152 Fe8 I8 O24 -","8","4","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.057","0.04","","","0.0785","0.0847","","","","","","1.011","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001241","8.6461","0.0002","10.4222","0.0002","12.2221","0.0003","90","","96.712","0.001","90","","1093.8","0.04","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Fe I O3 Si -","- C19 H27 Fe I O3 Si -","- C38 H54 Fe2 I2 O6 Si2 -","2","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0433","0.0335","","","0.0726","0.077","","","","","","1.033","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001244","9.1488","0.0002","11.8559","0.0002","16.8475","0.0004","90","","103.095","0.001","90","","1779.88","0.07","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H45 Fe N O Si -","- C39 H45 Fe N O Si -","- C78 H90 Fe2 N2 O2 Si2 -","2","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0777","0.0447","","","0.0864","0.097","","","","","","1.02","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001247","9.144","0.001","11.841","0.001","16.838","0.001","90","","103.2","0.01","90","","1775","0.3","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H45 Fe N O Si -","- C39 H45 Fe N O Si -","- C78 H90 Fe2 N2 O2 Si2 -","2","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0533","0.0378","","","0.073","0.0784","","","","","","1.012","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001248","13.0568","0.0003","7.2896","0.0002","15.2684","0.0005","90","","104.131","0.001","90","","1409.25","0.07","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H9 F4 Fe N O -","- C17 H9 F4 Fe N O -","- C68 H36 F16 Fe4 N4 O4 -","4","2","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0495","0.0374","","","0.0786","0.0837","","","","","","1.015","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001249","6.1035","0.0001","9.886","0.0002","12.2284","0.0003","90","","95.327","0.001","90","","734.67","0.03","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H10 F5 Fe N O -","- C17 H10 F5 Fe N O -","- C34 H20 F10 Fe2 N2 O2 -","2","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0381","0.033","","","0.0794","0.0823","","","","","","1.06","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001274","12.0617","0.0003","21.5748","0.0006","12.9461","0.0003","90","","100.689","0.001","90","","3310.49","0.15","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H36 F20 Fe4 Li4 N4 O4 -","- C68 H36 F20 Fe4 Li4 N4 O4 -","- C136 H72 F40 Fe8 Li8 N8 O8 -","2","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Bis(“ferrocene-saliminato”) group 4 metal complexes: synthesis, structural features and use in homogenous Ziegler‒Natta polymerization catalysis","Dalton Transactions","2009","","19","3731","3741","10.1039/b822741a","","","0.71073","MoKα","","0.071","0.0516","","","0.1277","0.138","","","","","","1.015","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001276","11.4955","0.0001","19.5379","0.0002","12.5595","0.0001","90","","105.9","0.001","90","","2712.92","0.04","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H68 Cl2 Fe2 Hf N2 O2 -","- C60 H68 Cl2 Fe2 Hf N2 O2 -","- C120 H136 Cl4 Fe4 Hf2 N4 O4 -","2","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Bis(“ferrocene-saliminato”) group 4 metal complexes: synthesis, structural features and use in homogenous Ziegler‒Natta polymerization catalysis","Dalton Transactions","2009","","19","3731","3741","10.1039/b822741a","","","0.71073","MoKα","","0.026","0.0243","","","0.0593","0.0604","","","","","","1.014","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001317","7.4","0.003","11.512","0.005","8.051","0.003","90","","117.05","0.02","90","","610.8","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetrachloro(2,5-dithiahexane-S,S')tellurium(IV)","Tetrachloro(2,5-dithiahexane-S,S')tellurium(IV)","","- C4 H10 Cl4 S2 Te -","- C4 H10 Cl4 S2 Te -","- C8 H20 Cl8 S4 Te2 -","2","1","","Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Preparation and structures of tellurium(iv) halide complexes with thioether coordination","Dalton Transactions","2009","","21","4122","4128","10.1039/b902771h","","","0.71073","MoKα","","0.0462","0.0362","","","0.0705","0.0745","","","","","","1.042","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001325","13.7004","0.0003","7.6677","0.0002","25.5552","0.0006","90","0.005","99.4209","0.0009","90","0.005","2648.38","0.11","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 Cd N2 Na O7 -","- C22 H25 Br2 Cd N2 Na O7 -","- C88 H100 Br8 Cd4 N8 Na4 O28 -","4","2","","Agapiou, Kyriacos; Mejía, Michelle L.; Yang, Xiaoping; Holliday, Bradley J.","Multinuclear Cd2, Cd3 and 1-D framework structures of Cd(II) Schiff base complexes","Dalton Transactions","2009","","21","4154","4159","10.1039/b816059g","","","0.71073","MoKα","","0.0659","0.0478","","","0.102","0.1106","","","","","","1.117","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001359","10.2028","0.0004","9.6738","0.0004","12.9507","0.0008","90","","93.389","0.002","90","","1276","0.11","277.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 Fe N4 O3 -","- C25 H28 Cl2 Fe N4 O3 -","- C50 H56 Cl4 Fe2 N8 O6 -","2","1","","Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu","β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates","Dalton Transactions","2009","","22","4286","4288","10.1039/b817652c","","","0.7107","MoKα","","","0.0458","","","","0.1252","","","","","","1.107","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7001360","10.2083","0.0006","9.6645","0.0008","12.949","0.001","90","","93.298","0.001","90","","1275.41","0.16","277.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 Fe N4 O3 -","- C25 H28 Cl2 Fe N4 O3 -","- C50 H56 Cl4 Fe2 N8 O6 -","2","1","","Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu","β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates","Dalton Transactions","2009","","22","4286","4288","10.1039/b817652c","","","0.7107","MoKα","","","0.0507","","","","0.1461","","","","","","1.137","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7001361","14.6365","0.0001","24.1369","0.0002","16.883","0.0001","90","","107.43","0.0008","90","","5690.56","0.07","277.1","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C96 H104 B2 F8 Fe4 N16 O12 Pd -","- C96 H104 B2 F8 Fe4 N16 O12 Pd -","- C192 H208 B4 F16 Fe8 N32 O24 Pd2 -","2","1","","Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu","β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates","Dalton Transactions","2009","","22","4286","4288","10.1039/b817652c","","","0.71069","MoKα","","","0.0844","","","","0.2388","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001362","14.727","0.0005","23.8008","0.0008","16.7659","0.0005","90","","107.427","0.0009","90","","5606.9","0.3","277.1","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C96 H104 B2 F8 Fe4 N16 O12 Pd -","- C96 H104 B2 F8 Fe4 N16 O12 Pd -","- C192 H208 B4 F16 Fe8 N32 O24 Pd2 -","2","1","","Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu","β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates","Dalton Transactions","2009","","22","4286","4288","10.1039/b817652c","","","0.71075","MoKα","","","0.0701","","","","0.2252","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001373","16.116","0.002","18.556","0.002","19.21","0.003","90","","111.24","0.02","90","","5354.5","1.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H60 Fe N2 O2 P2 Pt -","- C63 H60 Fe N2 O2 P2 Pt -","- C252 H240 Fe4 N8 O8 P8 Pt4 -","4","2","","Gasser, Gilles; Brosch, Oliver; Ewers, Alexandra; Weyhermüller, Thomas; Metzler-Nolte, Nils","Synthesis and characterisation of hetero-bimetallic organometallic phenylalanine and PNA monomer derivatives","Dalton Transactions","2009","","22","4310","4317","10.1039/b819169g","","","0.71073","MoKα","","0.0727","0.0452","","","0.0975","0.104","","","","","","0.935","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001541","8.0871","0.0003","13.8105","0.0005","13.5808","0.0004","90","","100.325","0.003","90","","1492.24","0.09","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H24 Cl2 N3 O3 P Pd -","- C32 H24 Cl2 N3 O3 P Pd -","- C64 H48 Cl4 N6 O6 P2 Pd2 -","2","1","","Seubert, Christoph K.; Sun, Yu; Thiel, Werner R.","A facile access to a novel bidentate enantiomerically pure P,N-donor ligand","Dalton Transactions","2009","","25","4971","4977","10.1039/b822144h","","","1.54184","CuKα","","0.0235","0.0224","","","0.0538","0.0541","","","","","","1.022","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001543","11.4579","0.0002","15.0138","0.0002","12.2822","0.0002","90","","100.677","0.002","90","","2076.29","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H36 Cl5 N2 O7 P Ru -","- C41 H36 Cl5 N2 O7 P Ru -","- C82 H72 Cl10 N4 O14 P2 Ru2 -","2","1","","Seubert, Christoph K.; Sun, Yu; Thiel, Werner R.","A facile access to a novel bidentate enantiomerically pure P,N-donor ligand","Dalton Transactions","2009","","25","4971","4977","10.1039/b822144h","","","0.71073","MoKα","","0.0698","0.0459","","","0.0979","0.1046","","","","","","0.923","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001622","8.76972","0.00013","20.6503","0.0003","11.06358","0.00017","90","","96.2403","0.0014","90","","1991.71","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H42 Cl4 N8 P2 Pd -","- C35 H42 Cl4 N8 P2 Pd -","- C70 H84 Cl8 N16 P4 Pd2 -","2","1","","Miller, Philip W.; Long, Nicholas J.; White, Andrew J. P.","Synthesis, characterisation and coordination chemistry of a new multidentate P2N4 ligand system","Dalton Transactions","2009","","27","5284","5286","10.1039/b905749h","","","0.71073","MoKα","","0.0295","0.0281","","","0.0714","0.073","","","","","","1.102","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7001687","6.8723","0.0005","5.8351","0.0004","13.3288","0.001","90","","90.41","0.001","90","","534.48","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","k2-(N,O)-L-selenomethioninato-methylmercury","k2-(N,O)-L-selenomethioninato-methylmercury","","- C6 H13 Hg N O2 Se -","- C6 H13 Hg N O2 Se -","- C12 H26 Hg2 N2 O4 Se2 -","2","1","","Khan, Mohammad A. K.; Asaduzzaman, Abu Md.; Schreckenbach, Georg; Wang, Feiyue","Synthesis, characterization and structures of methylmercury complexes with selenoamino acids","Dalton Transactions","2009","","29","5766","","10.1039/b903863a","","","0.71073","MoKα","","0.0611","0.0531","","","0.1099","0.1126","","","","","","1.257","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001811","21.692","0.001","19.217","0.001","23.367","0.003","90","","95.225","0.008","90","","9700.2","1.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C196 H214 B2 Cl8 F8 O17 P4 Pd2 -","- C192.5 H204 B2 Cl6 F8 O17 P4 Pd2 -","- C385 H408 B4 Cl12 F16 O34 P8 Pd4 -","2","1","","Sémeril, David; Matt, Dominique; Harrowfield, Jack; Schultheiss, Nate; Toupet, Loïc","Supramolecular chemistry of fluoroanions: selectivity in weak interactions","Dalton Transactions","2009","","32","6296","6298","10.1039/b906160f","","","0.71073","MoKα","","0.1252","0.0664","","","0.1612","0.1776","","","","","","0.969","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7001824","12.1968","0.0006","8.8464","0.0005","16.3784","0.0009","90","","91.779","0.001","90","","1766.34","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H52 Cl3 Cu2 N9 O13 -","- C23 H52 Cl3 Cu2 N9 O13 -","- C46 H104 Cl6 Cu4 N18 O26 -","2","1","","Chin, Aileen; Edgar, Mark; Harding, Charles J; McKee, Vickie; Nelson, Jane","A novel trisprotonated β-dialdiminate cryptand","Dalton Transactions","2009","","32","6315","6326","10.1039/b821237f","","","0.688","Synchrotron","","0.046","0.0442","","","0.106","0.1068","","","","","","0.998","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7001911","16.89","0.003","28.85","0.005","17.61","0.003","90","","117.285","0.003","90","","7626","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H80 Cu5 Eu N10 O23.5 -","- C66 H65 Cu5 Eu N10 O23.5 -","- C264 H260 Cu20 Eu4 N40 O94 -","4","2","","Tegoni, Matteo; Tropiano, Manuel; Marchiò, Luciano","Thermodynamics of binding of carboxylates to amphiphilic Eu3+/Cu2+ metallacrown","Dalton Transactions","2009","","34","6705","6708","10.1039/b911512a","","","0.71073","MoKα","","0.1587","0.0658","","","0.0996","0.1124","","","","","","1.002","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7001912","9.1505","0.0002","28.7597","0.0007","10.268","0.0002","90","","104.507","0.002","90","","2616.03","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H79 Cl N18 Ni2 O5 -","- C41 H79 Cl N18 Ni2 O5 -","- C82 H158 Cl2 N36 Ni4 O10 -","2","1","","Zheng, Xiao-Dan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Constructions of 1D helical chains with left-handed/right-handed helicity: a correlation between the helicity of 1D chains and the chirality of building blocks","Dalton Transactions","2009","","34","6802","6808","10.1039/b904081a","","","0.71073","MoKα","","0.0541","0.0431","","","0.0876","0.0903","","","","","","0.991","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001913","9.1595","0.0001","28.7807","0.0003","10.2646","0.0001","90","","104.542","0.001","90","","2619.23","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H79 Cl N18 Ni2 O5 -","- C41 H79 Cl N18 Ni2 O5 -","- C82 H158 Cl2 N36 Ni4 O10 -","2","1","","Zheng, Xiao-Dan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Constructions of 1D helical chains with left-handed/right-handed helicity: a correlation between the helicity of 1D chains and the chirality of building blocks","Dalton Transactions","2009","","34","6802","6808","10.1039/b904081a","","","1.54178","CuKα","","0.0389","0.0346","","","0.0836","0.0854","","","","","","0.999","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001915","7.4086","0.0001","18.727","0.0002","8.8943","0.0001","90","","106.818","0.001","90","","1181.22","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 N10 Ni -","- C20 H36 N10 Ni -","- C40 H72 N20 Ni2 -","2","1","","Zheng, Xiao-Dan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Constructions of 1D helical chains with left-handed/right-handed helicity: a correlation between the helicity of 1D chains and the chirality of building blocks","Dalton Transactions","2009","","34","6802","6808","10.1039/b904081a","","","1.54178","CuKα","","0.0217","0.0204","","","0.0496","0.05","","","","","","1.044","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001916","7.459","0.002","18.836","0.006","8.948","0.003","90","","106.989","0.005","90","","1202.3","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 N10 Ni -","- C20 H36 N10 Ni -","- C40 H72 N20 Ni2 -","2","1","","Zheng, Xiao-Dan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Constructions of 1D helical chains with left-handed/right-handed helicity: a correlation between the helicity of 1D chains and the chirality of building blocks","Dalton Transactions","2009","","34","6802","6808","10.1039/b904081a","","","0.71073","MoKα","","0.0672","0.0456","","","0.1099","0.1296","","","","","","1.016","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001961","12.5115","0.0002","12.2042","0.0002","24.8139","0.0005","90","","90.4245","0.0009","90","","3788.8","0.12","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C45 H54 Cl N2 Rh -","- C45 H54 Cl N2 Rh -","- C180 H216 Cl4 N8 Rh4 -","4","2","","Dastgir, Sarim; Coleman, Karl S.; Cowley, Andrew R.; Green, Malcolm L. H.","Stable crystalline annulated diaminocarbenes: coordination with rhodium(i), iridium(i) and catalytic hydroformylation studies","Dalton Transactions","2009","","35","7203","","10.1039/b905729c","","","0.71073","MoKα","","0.0702","0.0385","","0.0573","0.0385","0.0385","","","","","","1.0788","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001963","11.8694","0.0002","21.1724","0.0004","12.4791","0.0002","90","","107.529","0.0009","90","","2990.43","0.09","150","","150","","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C37 H42 N2 -","- C37 H42 N2 -","- C148 H168 N8 -","4","2","","Dastgir, Sarim; Coleman, Karl S.; Cowley, Andrew R.; Green, Malcolm L. H.","Stable crystalline annulated diaminocarbenes: coordination with rhodium(i), iridium(i) and catalytic hydroformylation studies","Dalton Transactions","2009","","35","7203","","10.1039/b905729c","","","0.71073","MoKα","","0.0575","0.0419","","0.0629","0.0507","0.0507","","","","","","1.1213","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001977","19.5255","0.0014","10.9535","0.0008","21.0834","0.0015","90","","114.976","0.001","90","","4087.5","0.5","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C102 H128 B2 N6 -","- C102 H128 B2 N6 -","- C204 H256 B4 N12 -","2","1","","Dyson, Gavin; Frison, Jean-Cédric; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis of rhodium(I) and iridium(I) complexes of chiral N-heterocyclic carbenes and their application to asymmetric transfer hydrogenation","Dalton Transactions","2009","","35","7141","","10.1039/b909290k","","","0.71073","MoKα","","0.1016","0.0882","","","0.257","0.2741","","","","","","1.015","","","","has coordinates,has disorder","179717","2020-10-21","18:00:00",""
"7002007","8.5243","0.001","13.8891","0.0016","14.5876","0.0017","90","","101.093","0.002","90","","1694.8","0.3","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 Br2 Cl4 N4 Rh -","- C26 H43 Br2 Cl4 N4 Rh -","- C52 H86 Br4 Cl8 N8 Rh2 -","2","1","","Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Carbene-anchored/pendent-imidazolium species as precursors to di-N-heterocyclic carbene-bridged mixed-metal complexes","Dalton Transactions","2009","","35","7269","","10.1039/b906884h","","","0.71073","MoKα","","0.0315","0.0294","","","0.0745","0.0755","","","","","","1.071","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002029","8.452","0.004","9.212","0.004","15.756","0.007","90","","92.894","0.009","90","","1225.2","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H25 Au Br3 N3 O3 -","- C19 H25 Au Br3 N3 O3 -","- C38 H50 Au2 Br6 N6 O6 -","2","1","","Lemke, Jessica; Pinto, Antonio; Niehoff, Philip; Vasylyeva, Vera; Metzler-Nolte, Nils","Synthesis, structural characterisation and anti-proliferative activity of NHC gold amino acid and peptide conjugates","Dalton Transactions","2009","","35","7063","","10.1039/b906140a","","","0.71073","MoKα","","0.0636","0.0594","","","0.1529","0.1618","","","","","","1.054","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002050","12.6431","0.0004","12.0659","0.0004","22.2303","0.0008","90","","91.664","0.002","90","","3389.8","0.2","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl6 N2 P Pd -","- C33 H29 Cl6 N2 P Pd -","- C132 H116 Cl24 N8 P4 Pd4 -","4","2","","Abdellah, Ibrahim; Debono, Nathalie; Canac, Yves; Duhayon, Carine; Chauvin, Remi","Atropochiral (C,C)-chelating NHC-ylide ligands: synthesis and resolution of palladium(ii) complexes thereof","Dalton Transactions","2009","","35","7196","","10.1039/b907019b","","","0.71073","MoKα","","0.0792","0.063","","0.0848","0.0669","0.0639","","","","","","1.0872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002052","11.5754","0.0009","20.3835","0.0017","26.4657","0.0019","90","","90.148","0.003","90","","6244.5","0.8","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H25 Cl2 N2 P Pd -","- C30 Cl2 N2 P Pd -","- C240 Cl16 N16 P8 Pd8 -","8","4","","Abdellah, Ibrahim; Debono, Nathalie; Canac, Yves; Duhayon, Carine; Chauvin, Remi","Atropochiral (C,C)-chelating NHC-ylide ligands: synthesis and resolution of palladium(ii) complexes thereof","Dalton Transactions","2009","","35","7196","","10.1039/b907019b","","","0.71073","MoKα","","0.2178","0.1966","","0.2396","0.2144","0.209","","","","","","2.8128","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002071","16.1877","0.0002","9.2908","0.0001","26.4808","0.0003","90","","93.842","0.001","90","","3973.67","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H50 B N4 Rh -","- C48 H50 B N4 Rh -","- C192 H200 B4 N16 Rh4 -","4","2","","Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Pyrazolyl-N-heterocyclic carbene complexes of rhodium as hydrogenation catalysts: The influence of ligand steric bulk on catalyst activity","Dalton Transactions","2009","","35","7029","","10.1039/b906724h","","","0.71073","MoKα","","0.036","0.0301","","","0.0665","0.0685","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7002150","8.1158","0.0003","8.3981","0.0003","22.7637","0.0008","90","","95.686","0.002","90","","1543.88","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H38 N4 O6 Zn -","- C28 H38 N4 O6 Zn -","- C56 H76 N8 O12 Zn2 -","2","1","","Sarma, Rupam; Kalita, Dipjyoti; Baruah, Jubaraj B.","Solvent induced reactivity of 3,5-dimethylpyrazole towards zinc (II) carboxylates","Dalton Transactions","2009","","36","7428","7436","10.1039/b905534g","","","0.71073","MoKα","","0.0469","0.0354","","","0.0821","0.0957","","","","","","1.049","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002266","9.496","0.004","13.23","0.005","14.082","0.005","90","","92.183","0.012","90","","1767.9","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H34 Cr N4 O3 P -","- C42 H34 Cr N4 O3 P -","- C84 H68 Cr2 N8 O6 P2 -","2","1","","Alborés, Pablo; Seeman, Johanna; Rentschler, Eva","Ferromagnetic coupled μ-phenoxo-μ-carboxylato heterodinuclear complexes based on the Cr(salen) moiety: structural and magnetic characterization","Dalton Transactions","2009","","37","7660","7668","10.1039/b907328k","","","0.71069","MoKα","","0.091","0.0523","","","0.0729","0.0829","","","","","","0.882","","","","has coordinates","179720","2020-10-21","18:00:00",""
"7002320","7.6452","0.0013","8.406","0.0015","25.468","0.004","90","","91.982","0.003","90","","1635.7","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H36 Cl4 Mn2 N4 -","- C34 H36 Cl4 Mn2 N4 -","- C68 H72 Cl8 Mn4 N8 -","2","1","","Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier","Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions","Dalton Transactions","2009","","38","8117","8126","10.1039/b906435d","","","0.71073","MoKα","","0.0632","0.0512","","","0.1123","0.1158","","","","","","1.08","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002352","9.6623","0.0008","24.792","0.002","9.7344","0.0008","90","","109.925","0.001","90","","2192.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H51 Cl11 N4 Pt -","- C33 H51 Cl11 N4 Pt -","- C66 H102 Cl22 N8 Pt2 -","2","1","","Fantasia, Serena; Pasini, Alessandro; Nolan, Steven P.","Platinum(II) mediated Csp3-H activation of tetramethylthiourea","Dalton Transactions","2009","","38","8107","8110","10.1039/b911164f","","","0.71073","MoKα","","0.0233","0.0228","","","0.0704","0.0708","","","","","","1.223","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002389","13.893","0.002","17.144","0.002","18.831","0.002","90","","100.73","0.02","90","","4406.8","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C98 H98 Cu6 N6 O32 -","- C98 H98 Cu6 N6 O32 -","- C196 H196 Cu12 N12 O64 -","2","1","","Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P.","Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates","Dalton Transactions","2009","","39","8432","8442","10.1039/b903668g","","","0.71073","MoKα","","0.0639","0.0493","","","0.1155","0.1249","","","","","","1.053","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002390","12.707","0.006","7.2137","0.0016","15.247","0.009","90","","105.07","0.05","90","","1349.5","1.1","293","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H16 Cu2 N2 O13 -","- C26 H16 Cu2 N2 O13 -","- C52 H32 Cu4 N4 O26 -","2","1","","Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P.","Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates","Dalton Transactions","2009","","39","8432","8442","10.1039/b903668g","","","0.71073","MoKα","","0.1939","0.0956","","","0.2035","0.2383","","","","","","0.836","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002499","6.113","0.0004","36.802","0.003","9.3982","0.0007","90","","107.08","0.006","90","","2021.1","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O2 S2 -","- C23 H17 N3 O2 S2 -","- C92 H68 N12 O8 S8 -","4","2","","Siemeling, Ulrich; Bruhn, Clemens; Bretthauer, Frauke; Borg, Marta; Träger, Frank; Vogel, Florian; Azzam, Waleed; Badin, Mihaela; Strunskus, Thomas; Wöll, Christof","Photoresponsive SAMs on gold fabricated from azobenzene-functionalised asparagusic acid derivatives","Dalton Transactions","2009","","40","8593","8604","10.1039/b905025f","","","0.71073","MoKα","","0.046","0.0398","","","0.0918","0.0933","","","","","","0.942","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002559","8.3619","0.0012","15.214","0.002","10.2809","0.0014","90","","93.629","0.002","90","","1305.3","0.3","185","2","185","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl2 F5 N2 O3 V -","- C23 H28 Cl2 F5 N2 O3 V -","- C46 H56 Cl4 F10 N4 O6 V2 -","2","1","","Xu, Bao-Chang; Hu, Tao; Wu, Ji-Qian; Hu, Ning-Hai; Li, Yue-Sheng","Novel vanadium(iii) complexes with bidentate N,N-chelating iminopyrrolide ligands: synthesis, characterization and catalytic behaviour of ethylene polymerization and copolymerization with 10-undecen-1-ol","Dalton Transactions","2009","","41","8854","8863","10.1039/b909495d","","","0.71073","MoKα","","0.0844","0.0592","","","0.126","0.1357","","","","","","1.04","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002583","10.2039","0.0006","19.5337","0.0011","10.3267","0.0006","90","","91.0073","0.0009","90","","2058","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Compound 2","","","- C41 H54 F6 N O3 V -","- C41 H54 F6 N O3 V -","- C82 H108 F12 N2 O6 V2 -","2","1","","Arbaoui, Abdessamad; Redshaw, Carl; Homden, Damien M.; Wright, Joseph A.; Elsegood, Mark R. J.","Vanadium-based imido-alkoxide pro-catalysts bearing bisphenolate ligands for ethylene and ε-caprolactone polymerisation","Dalton Transactions","2009","","41","8911","8922","10.1039/b902402f","","","0.71073","MoKα","","0.0441","0.0411","","","0.1081","0.1109","","","","","","1.018","","","","has coordinates,has disorder","179729","2020-10-21","18:00:00",""
"7002594","8.6892","0.0004","7.7891","0.0004","11.8673","0.0006","90","","102.241","0.0008","90","","784.93","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Compound 2","","","- C11 H16 Cl3 N3 O V -","- C11 H16 Cl3 N3 O V -","- C22 H32 Cl6 N6 O2 V2 -","2","1","","Homden, Damien; Redshaw, Carl; Warford, Lee; Hughes, David L.; Wright, Joseph A.; Dale, Sophie H.; Elsegood, Mark R. J.","Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides","Dalton Transactions","2009","","41","8900","8910","10.1039/b901810g","","","0.71073","MoKα","","0.0245","0.0233","","","0.0583","0.0596","","","","","","1.083","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002641","15.0333","0.0007","8.677","0.0004","16.8357","0.0008","90","","99.936","0.003","90","","2163.18","0.18","150","","150","","","","","","","","C.Milios","5","P 1 21 1","P 2yb","4","","","","- C39 H53 Mn3 N4 O16 -","- C39 H53 Mn3 N4 O16 -","- C78 H106 Mn6 N8 O32 -","2","1","","Inglis, Ross; Taylor, Stephanie M.; Jones, Leigh F.; Papaefstathiou, Giannis S.; Perlepes, Spyros P.; Datta, Saiti; Hill, Stephen; Wernsdorfer, Wolfgang; Brechin, Euan K.","Twisting, bending, stretching: strategies for making ferromagnetic [MnIII3] triangles","Dalton Transactions","2009","","42","9157","","10.1039/b911820a","","","0.71073","MoKα","","0.0707","0.0394","","0.0417","0.0401","0.0401","","","","","","1.0985","","","","has coordinates","179730","2020-10-21","18:00:00",""
"7002742","7.731","0.002","7.703","0.002","30.984","0.009","90","","90.282","0.005","90","","1845.1","0.9","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H28 N2 Ni O7 S2 -","- C13 H28 N2 Ni O7 S2 -","- C52 H112 N8 Ni4 O28 S8 -","4","2","","Almaraz, Elky; Denny, Jason A.; Foley, William S.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Zinc/Nickel exchange and ligand cannibalism in N2S2O1,2 donor ligand sets","Dalton Transactions","2009","","43","9496","9502","10.1039/b914422f","","","0.71073","MoKα","","0.0629","0.0572","","","0.1238","0.129","","","","","","1.003","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002781","10.424","0.003","7.8081","0.0018","10.812","0.002","90","","93.774","0.018","90","","878.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Mo O S -","- C21 H18 Mo O S -","- C42 H36 Mo2 O2 S2 -","2","1","","Adams, Christopher J.; Baber, Angharad; Boonyuen, Supakorn; Connelly, Neil G.; Diosdado, Beatriz E.; Kantacha, Anob; Orpen, A. Guy; Patrón, Elena","Thiolates vs. halides as π-donors: the redox-active alkyne complexes [M(SR)L(η-R′CCR′)L′] {M = Mo or W, L = CO or P(OMe)3, L′ = η-C5H5 and Tp′}","Dalton Transactions","2009","","44","9746","9758","10.1039/b912986c","","","0.71073","MoKα","","0.0258","0.0249","","","0.0548","0.0551","","","","","","1.016","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002827","11.5226","0.0015","8.1768","0.0007","19.487","0.003","90","","102.767","0.0019","90","","1790.6","0.4","173.1","","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H38 Cl2 Cu N4 O14 -","- C30 H38 Cl2 Cu N4 O14 -","- C60 H76 Cl4 Cu2 N8 O28 -","2","1","","Mikata, Yuji; Fujii, Shoko; Naemura, Masami; Takahashi, Kyoko; Noguchi, Yuka","Copper(ii) and zinc(ii) complexes with C-glycoside-pendant dipicolylamine (DPA)-amino acid conjugates","Dalton Transactions","2009","","46","10305","10310","10.1039/b915481g","","","0.7107","MoKα","","","0.0646","","","","0.1858","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002828","11.4872","0.0005","8.2088","0.0002","19.6567","0.0009","90","","102.606","0.0005","90","","1808.87","0.12","173.1","","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H38 Cl2 N4 O14 Zn -","- C30 H38 Cl2 N4 O14 Zn -","- C60 H76 Cl4 N8 O28 Zn2 -","2","1","","Mikata, Yuji; Fujii, Shoko; Naemura, Masami; Takahashi, Kyoko; Noguchi, Yuka","Copper(ii) and zinc(ii) complexes with C-glycoside-pendant dipicolylamine (DPA)-amino acid conjugates","Dalton Transactions","2009","","46","10305","10310","10.1039/b915481g","","","0.7107","MoKα","","","0.0392","","","","0.1002","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002857","10.92","0.002","8.1845","0.0016","18.107","0.004","90","","106.74","0.03","90","","1549.7","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H12 Cl3 Dy N12 -","- C32 H12 Cl3 Dy N12 -","- C64 H24 Cl6 Dy2 N24 -","2","1","","Chen, Hui-Fen; Guo, Guo-Cong; Wang, Ming-Sheng; Xu, Gang; Zou, Wen-Qiang; Guo, Sheng-Ping; Wu, Mei-Feng; Huang, Jin-Shun","Spontaneous chiral resolution, nonlinear optical and luminescence of eight-coordinate lanthanide(III) complexes","Dalton Transactions","2009","","46","10166","10168","10.1039/b917559h","","","0.71073","MoKα","","0.0301","0.0254","","","0.0594","0.0618","","","","","","1.055","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7002858","10.9","0.003","8.168","0.002","18.093","0.005","90","","106.697","0.001","90","","1542.9","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H12 Cl3 Dy N12 -","- C32 H12 Cl3 Dy N12 -","- C64 H24 Cl6 Dy2 N24 -","2","1","","Chen, Hui-Fen; Guo, Guo-Cong; Wang, Ming-Sheng; Xu, Gang; Zou, Wen-Qiang; Guo, Sheng-Ping; Wu, Mei-Feng; Huang, Jin-Shun","Spontaneous chiral resolution, nonlinear optical and luminescence of eight-coordinate lanthanide(III) complexes","Dalton Transactions","2009","","46","10166","10168","10.1039/b917559h","","","0.71073","MoKα","","0.0243","0.0233","","","0.057","0.0583","","","","","","0.94","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7002965","12.1215","0.0001","17.3964","0.0001","21.9965","0.0002","90","","103.533","0.001","90","","4509.63","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 I6 P Sn -","- C18 H33 I6 P Sn -","- C108 H198 I36 P6 Sn6 -","6","3","","Apostolico, Leonardo; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Blackman, Christopher S.; Carmalt, Claire J.; Parkin, Ivan P.","The reaction of tin(iv) iodide with phosphines: formation of new halotin anions","Dalton Transactions","2009","","47","10486","10494","10.1039/b917722a","","","0.71073","MoKα","","0.0845","0.047","","","0.0935","0.1047","","","","","","0.967","","","","has coordinates,has disorder","179733","2020-10-21","18:00:00",""
"7003185","7.912","0.0002","13.775","0.0003","8.528","0.0003","90","","94.703","0.001","90","","926.32","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H30 I2 N3 P -","- C12 H30 I2 N3 P -","- C24 H60 I4 N6 P2 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reactions of alkylamino substituted phosphines with I2 and (Ph2Se2I2)2: structural features of alkylamino phosphonium cations","Dalton Transactions","2008","","10","1346","1354","10.1039/b713640d","","x-ray","0.71073","MoKα","","0.0617","0.0495","","","0.1059","0.1175","","","","","","1.152","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003229","23.8615","0.0014","16.7245","0.001","29.5431","0.0018","90","","113.285","0.001","90","","10829.5","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetrabutylammonium tris(2,2-dicyano-1,1-ethenedithiolato)tris- cuprate(i)","Tetrabutylammonium tris(2,2-dicyano-1,1-ethenedithiolato)tris-cuprate(I)","","- C60 H108 Cu3 N9 S6 -","- C60 H108 Cu3 N9 S6 -","- C360 H648 Cu18 N54 S36 -","6","3","","Maiti, Biplab K.; Pal, Kuntal; Sarkar, Sabyasachi","Two enantiomers of [Cu3(mnt)3]3− as ligands to Cu(i) or Ag(i) in building [Cu6M2(mnt)6]4− complexes (M = Cu or Ag) with the reversal of the reaction by X− (X = Cl, Br)","Dalton Transactions","2008","","8","1003","1008","10.1039/b714550k","","","0.71069","MoKα","","0.2417","0.0985","","","0.2362","0.2493","","","","","","1.036","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7003277","12.6229","0.0008","22.6729","0.0009","12.8913","0.0008","90","","112.115","0.005","90","","3418","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C79 H86 O10 Zn3 -","- C79 H86 O10 Zn3 -","- C158 H172 O20 Zn6 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","TADDOLate complexes of zinc","Dalton Transactions","2008","","13","1761","1764","10.1039/b715123c","","","0.71073","MoKα","","0.0599","0.0397","","","0.0714","0.0766","","","","","","0.918","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7003278","11.6597","0.0006","15.5812","0.0007","19.3475","0.0009","90","","105.443","0.004","90","","3388","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H80 Li2 O10 Zn -","- C77 H80 Li2 O10 Zn -","- C154 H160 Li4 O20 Zn2 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","TADDOLate complexes of zinc","Dalton Transactions","2008","","13","1761","1764","10.1039/b715123c","","","0.71073","MoKα","","0.0625","0.0505","","","0.1218","0.1263","","","","","","1.003","","","","has coordinates,has disorder","179736","2020-10-21","18:00:00",""
"7003326","8.336","0.005","13.146","0.008","10.254","0.006","90","","96.923","0.011","90","","1115.5","1.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H18 F6 N6 O3 P Re -","- C15 H18 F6 N6 O3 P Re -","- C30 H36 F12 N12 O6 P2 Re2 -","2","1","","Pérez, Julio; Riera, Lucía; Ion, Laura; Riera, Víctor; Anderson, Kirsty M.; Steed, Jonathan W.; Miguel, Daniel","Second-sphere interaction of anions with a weakly binding metal complex host: probing the effect of counteranions","Dalton Transactions","2008","","7","878","886","10.1039/b715599A","","","0.71073","MoKα","","0.0239","0.0223","","","0.0541","0.0547","","","","","","1.004","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003330","10.5765","0.0014","24.603","0.003","11.3361","0.0014","90","","90.57","0.003","90","","2949.7","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H24 N7 O6 Re -","- C30 H24 N7 O6 Re -","- C120 H96 N28 O24 Re4 -","4","2","","Pérez, Julio; Riera, Lucía; Ion, Laura; Riera, Víctor; Anderson, Kirsty M.; Steed, Jonathan W.; Miguel, Daniel","Second-sphere interaction of anions with a weakly binding metal complex host: probing the effect of counteranions","Dalton Transactions","2008","","7","878","886","10.1039/b715599A","","","0.71073","MoKα","","0.0707","0.0467","","","0.0733","0.0801","","","","","","0.918","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003459","7.8112","0.0004","11.2335","0.0004","11.1606","0.0006","90","","93.797","0.003","90","","977.16","0.08","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(pentamethylcyclopentadienyl)methylgallane","","","- C21 H33 Ga -","- C21 H33 Ga -","- C42 H66 Ga2 -","2","1","","Macdonald, Charles L. B.; Gorden, John D.; Voigt, Andreas; Filipponi, Silvia; Cowley, Alan H.","Group 13 decamethylmetallocenium cations","Dalton Transactions","2008","","9","1161","1176","10.1039/b716220k","","","0.71073","MoKα","","0.117","0.1135","","","0.2995","0.3038","","","","","","1.408","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003470","17.696","0.0002","10.418","0.0003","18.288","0.0003","90","","101.488","0.001","90","","3303.98","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O4 Zr -","- C36 H42 N2 O4 Zr -","- C144 H168 N8 O16 Zr4 -","4","2","","Chmura, Amanda J.; Cousins, David M.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Robust chiral zirconium alkoxide initiators for the room-temperature stereoselective ring-opening polymerisation of rac-lactide","Dalton Transactions","2008","","11","1437","1443","10.1039/b716304e","","","0.71073","MoKα","","0.0821","0.056","","","0.135","0.1512","","","","","","1.019","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003490","9.438","0.003","10.834","0.004","16.503","0.004","90","","97.89","0.03","90","","1671.5","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","bis-((S,S)-3,3-(2,3-butylenedioxy))-2,2-bipyridine)- palladium(ii) bis(hexafluorophosphate)","bis-[(S,S)-3,3-(2,3-butylenedioxy)]-2,2-bipyridine)-palladium(II) bis(hexafluorophosphate)","","- C28 H28 F12 N4 O4 P2 Pd -","- C28 H28 F12 N4 O4 P2 Pd -","- C56 H56 F24 N8 O8 P4 Pd2 -","2","1","","Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara","New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction","Dalton Transactions","2008","","16","2171","2182","10.1039/b716656g","","","0.71073","Mokα","","0.0508","0.0412","","","0.1052","0.114","","","","","","1.035","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003608","7.7173","0.0003","10.533","0.0004","11.9968","0.0004","90","","104.189","0.002","90","","945.43","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H8 Fe2 N2 O8 Se2 -","- C14 H8 Fe2 N2 O8 Se2 -","- C28 H16 Fe4 N4 O16 Se4 -","2","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Peng, Xiaojun; Zhao, Xing; Hou, Jun","Selenium-bridged diiron hexacarbonyl complexes as biomimetic models for the active site of Fe‒Fe hydrogenases","Dalton Transactions","2008","","16","2128","2135","10.1039/b717497g","","","0.71073","MoKα","","0.0557","0.0344","","","0.0493","0.0551","","","","","","0.96","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003628","8.7435","0.0007","14.8061","0.0012","9.0608","0.0008","90","","116.107","0.001","90","","1053.31","0.15","566","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 Co3 O8 P -","- C17 H12 Co3 O8 P -","- C34 H24 Co6 O16 P2 -","2","1","","Moberg, Viktor; Mottalib, M. Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C.; Colbran, Stephen B.; Deeming, Antony J.; Nordlander, Ebbe","Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson‒Khand reactions","Dalton Transactions","2008","","18","2442","2453","10.1039/b717698h","","","0.71073","MoKα","","0.0294","0.0272","","","0.0696","0.0709","","","","","","0.872","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003676","11.56","0.004","5.4449","0.0017","13.267","0.005","90","","100.247","0.004","90","","821.7","0.5","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O6 -","- C15 H20 N4 O6 -","- C30 H40 N8 O12 -","2","1","","Obata, Makoto; Kitamura, Asuka; Mori, Akemi; Kameyama, Chiaki; Czaplewska, Justyna A.; Tanaka, Rika; Kinoshita, Isamu; Kusumoto, Toshiyuki; Hashimoto, Hideki; Harada, Masafumi; Mikata, Yuji; Funabiki, Takuzo; Yano, Shigenobu","Syntheses, structural characterization and photophysical properties of 4-(2-pyridyl)-1,2,3-triazole rhenium(i) complexes","Dalton Transactions","2008","","25","3292","3300","10.1039/b718538c","","","0.7107","MoKα","","","0.038","","","","0.0506","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003708","12.9021","0.0006","26.5183","0.0015","14.0363","0.0006","90","","91.535","0.005","90","","4800.7","0.4","150","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H87 F24 N21 Os2 P4 -","- C90 H87 F24 N21 Os2 P4 -","- C180 H174 F48 N42 Os4 P8 -","2","1","","Riis-Johannessen, Thomas; Dupont, Nathalie; Canard, Gabriel; Bernardinelli, Gérald; Hauser, Andreas; Piguet, Claude","Towards inert and preorganized d-block-containing receptors for trivalent lanthanides: The synthesis and characterization of triple-helical monometallic OsII and bimetallic OsII‒LnIII complexes","Dalton Transactions","2008","","28","3661","3677","10.1039/b718885d","","","0.71073","MoKα","","","0.029","","","","0.031","","","","","","1.71","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003742","8.7043","0.0014","14.368","0.002","11.1111","0.0018","90","","111.748","0.002","90","","1290.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 B N7 Rh -","- C25 H37 B N7 Rh -","- C50 H74 B2 N14 Rh2 -","2","1","","Adams, Christopher J.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Connelly, Neil G.; Field, Bevis A.; Hallett, Andrew J.; Horne, Mathew","Solid state and solution structures of rhodium and iridium poly(pyrazolyl)borate diene complexes","Dalton Transactions","2008","","20","2680","2692","10.1039/b719223a","","","0.71073","MoKα","","0.0565","0.0372","","","0.0628","0.0676","","","","","","0.911","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003744","8.6937","0.001","14.3403","0.0016","11.0382","0.0013","90","","111.294","0.002","90","","1282.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 B Ir N7 -","- C25 H37 B Ir N7 -","- C50 H74 B2 Ir2 N14 -","2","1","","Adams, Christopher J.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Connelly, Neil G.; Field, Bevis A.; Hallett, Andrew J.; Horne, Mathew","Solid state and solution structures of rhodium and iridium poly(pyrazolyl)borate diene complexes","Dalton Transactions","2008","","20","2680","2692","10.1039/b719223a","","","0.71073","mokα","","0.0445","0.0317","","","0.0614","0.0631","","","","","","0.893","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003750","10.33","0.0002","8.2082","0.0002","15.2675","0.0002","90","","106.283","0.001","90","","1242.62","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H27 Fe N2 O3 P -","- C29 H27 Fe N2 O3 P -","- C58 H54 Fe2 N4 O6 P2 -","2","1","","Kühnert, Janett; Císařová, Ivana; Lamač, Martin; Štěpnička, Petr","Group-12 metal complexes with isomeric 1-(diphenylphosphino)-1′-[N-(pyridylmethyl)carbamoyl]ferrocenes: coordination polymers vs. finite multinuclear coordination assemblies","Dalton Transactions","2008","","18","2454","2464","10.1039/b719334c","","","0.71073","MoKα","","0.0361","0.0314","","","0.0728","0.0759","","","","","","1.062","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003762","11.067","0.0001","13.848","0.0002","14.006","0.0002","90","","104.407","0.001","90","","2079","0.05","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H46 Cl N2 O2 P Ru -","- C47 H46 Cl N2 O2 P Ru -","- C94 H92 Cl2 N4 O4 P2 Ru2 -","2","1","","Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K.","Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3)","Dalton Transactions","2008","","19","2603","2614","10.1039/b719373d","","","0.71073","MoKα","","0.0396","0.0301","","","0.0593","0.0627","","","","","","1.034","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003787","23.196","0.004","13","0.002","17.731","0.003","90","","111.338","0.003","90","","4980.2","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H49 N2 O6 Tb -","- C59 H49 N2 O6 Tb -","- C236 H196 N8 O24 Tb4 -","4","2","","Wang, Guo-Xi; Han, Guang-Fan; Ye, Qiong; Xiong, Ren-Gen; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Chan, Philip Wai Hong; Huang, Songping D.","Dielectric anisotropy of a homochiral rare-earth metal complex","Dalton Transactions","2008","","19","2527","2530","10.1039/b719580j","","","0.71073","MoKα","","0.0805","0.0596","","","0.125","0.129","","","","","","1.097","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003904","13.304","0.001","29.414","0.003","14.427","0.001","90","","90.82","0.003","90","","5645.1","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C136.84 H99.68 Cl3.68 N8 P4 Pd2 Zn2 -","- C136.84 H99.68 Cl3.68 N8 P4 Pd2 Zn2 -","- C273.68 H199.36 Cl7.36 N16 P8 Pd4 Zn4 -","2","1","","Jiang, Michael Y.; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Structure, formation and catalytic studies of a meso-palladioporphyrin intermediate in a Heck reaction","Dalton Transactions","2008","","19","2598","2602","10.1039/b801163j","","","0.71073","MoKα","","0.1121","0.0792","","","0.1802","0.2204","","","","","","1.052","","","","has coordinates,has disorder","179743","2020-10-21","18:00:00",""
"7004043","13.8813","0.0013","9.8378","0.0009","21.764","0.002","90","","90.202","0.002","90","","2972.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23.5 H28 As2 Cl2 O4 S4 -","- C23.5 H16 As2 Cl2 O4 S4 -","- C94 H64 As8 Cl8 O16 S16 -","4","2","","Cangelosi, Virginia M.; Zakharov, Lev N.; Fontenot, Sean A.; Pitt, Melanie A.; Johnson, Darren W.","Host‒guest interactions in a series of self-assembled As2L2Cl2 macrocycles","Dalton Transactions","2008","","26","3447","3453","10.1039/B802178C","","","0.71073","MoKα","","0.0615","0.0516","","","0.1469","0.155","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7004072","9.468","0.0011","10.728","0.0012","13.8827","0.0016","90","","109.247","0.001","90","","1331.3","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H30 Cl F6 N2 Ru Sb -","- C24 H30 Cl F6 N2 Ru Sb -","- C48 H60 Cl2 F12 N4 Ru2 Sb2 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Rodríguez, Ricardo; Lahoz, Fernando J.; Dobrinovitch, Isabel T.; Oro, Luis A.","Chiral pyridylamino-ruthenium(ii) complexes: synthesis, structure and catalytic properties in Diels‒Alder reactions","Dalton Transactions","2008","","25","3328","3338","10.1039/B802381F","","","0.71073","MoKα","","0.0526","0.0506","","","0.123","0.1244","","","","","","1.036","","","","has coordinates,has disorder","179744","2020-10-21","18:00:00",""
"7004073","11.9604","0.0008","10.8946","0.0007","12.1915","0.0008","90","","116.789","0.001","90","","1418.1","0.16","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H38 Cl F6 N2 Ru Sb -","- C26 H38 Cl F6 N2 Ru Sb -","- C52 H76 Cl2 F12 N4 Ru2 Sb2 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Rodríguez, Ricardo; Lahoz, Fernando J.; Dobrinovitch, Isabel T.; Oro, Luis A.","Chiral pyridylamino-ruthenium(ii) complexes: synthesis, structure and catalytic properties in Diels‒Alder reactions","Dalton Transactions","2008","","25","3328","3338","10.1039/B802381F","","","0.71073","MoKα","","0.0275","0.0257","","","0.0621","0.0637","","","","","","1.073","","","","has coordinates","179744","2020-10-21","18:00:00",""
"7004110","7.677","0.0014","16.387","0.002","8.2916","0.0015","90","","116.458","0.003","90","","933.9","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Co N4 O6 -","- C18 H18 Co N4 O6 -","- C36 H36 Co2 N8 O12 -","2","1","","Lin, Zhuojia; Li, Yang; Slawin, Alexandra M. Z.; Morris, Russell E.","Hydrogen-bond-directing effect in the ionothermal synthesis of metal coordination polymers","Dalton Transactions","2008","","30","3989","3994","10.1039/b802892c","","","0.71073","MoKα","","0.0595","0.047","","","0.086","0.0967","","","","","","1.061","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004126","9.154","0.005","14.153","0.005","13.912","0.007","90","","100.47","0.02","90","","1772.4","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H47 B2 N2 Na O3 -","- C38 H47 B2 N2 Na O3 -","- C76 H94 B4 N4 Na2 O6 -","2","1","","Ly, Hanh V.; Konu, Jari; Parvez, Masood; Roesler, Roland","Tuning the electronic properties of cyclopentadienyl analogs with CB2N2 frameworks: 1,2-diphenyl-1,2-diaza-3,5-diborolyl ligands and their alkali metal salts","Dalton Transactions","2008","","26","3454","3460","10.1039/b802930j","","","0.71073","MoKα","","0.1093","0.0555","","","0.118","0.144","","","","","","1.02","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004135","8.051","0.003","10.204","0.003","18.49","0.006","90","","92.632","0.005","90","","1517.4","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Cu N7 O7 -","- C30 H21 Cu N7 O7 -","- C60 H42 Cu2 N14 O14 -","2","1","","Patra, Ashis K.; Bhowmick, Tuhin; Ramakumar, Suryanarayanarao; Nethaji, Munirathinam; Chakravarty, Akhil R.","DNA cleavage in red light promoted by copper(ii) complexes of α-amino acids and photoactive phenanthroline bases","Dalton Transactions","2008","","48","6966","6976","10.1039/b802948b","","","0.71073","MoKα","","0.0505","0.0472","","","0.1379","0.1403","","","","","","1.081","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004142","5.916","0.001","10.577","0.001","6.624","0.001","90","","105.35","0.01","90","","399.7","0.1","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Trimethylsilyltetrazole","2-Trimethylsilyltetrazole","","- C4 H10 N4 Si -","- C4 H10 N4 Si -","- C8 H20 N8 Si2 -","2","1","","Wann, Derek A.; Gronde, Ingo; Foerster, Thomas; Hayes, Stuart A.; Masters, Sarah L.; Robertson, Heather E.; Mitzel, Norbert W.; Rankin, David W. H.","Highly asymmetric coordination of trimethylsilyl groups to tetrazole and triazole rings: an experimental and computational study in gaseous and crystalline phases","Dalton Transactions","2008","","29","3817","3823","10.1039/b803091j","","","0.71073","MoKα","","0.0564","0.0471","","","0.1141","0.1193","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7004323","7.397","0.0016","15.509","0.005","7.866","0.002","90","","117.581","0.018","90","","799.8","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H27 Cl N2 Pd -","- C12 H27 Cl N2 Pd -","- C24 H54 Cl2 N4 Pd2 -","2","1","","Lee, Jen-Jeh; Yang, Feng-Zhao; Lin, Ya-Fan; Chang, Ya-Chun; Yu, Kuo-Hsuan; Chang, Mu-Chieh; Lee, Gene-Hsiang; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Unsymmetrical bidentate ligands of α-aminoaldimines leading to sterically controlled selectivity of geometrical isomerism in square planar coordination","Dalton Transactions","2008","","43","5945","5956","10.1039/b805674a","","","0.71073","MoKα","","0.041","0.0316","","","0.06","0.0634","","","","","","1.026","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004367","17.772","0.003","11.5307","0.0019","18.53","0.003","90","","112.178","0.003","90","","3516.3","1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H52 Mn N5 O2 -","- C36 H52 Mn N5 O2 -","- C144 H208 Mn4 N20 O8 -","4","2","","Darensbourg, Donald J.; Frantz, Eric B.","X-Ray crystal structures of five-coordinate (salen)MnN3 derivatives and their binding abilities towards epoxides: chemistry relevant to the epoxide‒CO2 copolymerization process","Dalton Transactions","2008","","37","5031","5036","10.1039/b806364h","","","0.71073","MoKα","","0.0851","0.0484","","","0.0954","0.1098","","","","","","0.99","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7004411","13.722","0.003","6.0487","0.0013","16.91","0.004","90","","97.687","0.004","90","","1390.9","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H34 Cu3 N20 -","- C16 H34 Cu3 N20 -","- C32 H68 Cu6 N40 -","2","1","","Gu, Zhi-Guo; Xu, Yi-Fan; Yin, Xiu-Ju; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Cluster-based copper(ii) coordination polymers with azido bridges and chiral magnets","Dalton Transactions","2008","","41","5593","5602","10.1039/b806619a","","","0.71073","MoKα","","0.0819","0.0575","","","0.1022","0.1067","","","","","","1.023","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004412","13.731","0.003","6.0514","0.0013","16.913","0.004","90","","97.761","0.004","90","","1392.5","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H34 Cu3 N20 -","- C16 H34 Cu3 N20 -","- C32 H68 Cu6 N40 -","2","1","","Gu, Zhi-Guo; Xu, Yi-Fan; Yin, Xiu-Ju; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Cluster-based copper(ii) coordination polymers with azido bridges and chiral magnets","Dalton Transactions","2008","","41","5593","5602","10.1039/b806619a","","","0.71073","MoKα","","0.0883","0.0658","","","0.1304","0.1365","","","","","","1.034","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004525","12.3062","0.0014","8.1494","0.001","13.4427","0.0016","90","","115.782","0.008","90","","1213.9","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C56 H68 N4 O4 -","2","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0713","0.062","","","0.1572","0.1703","","","","","","1.184","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004526","7.9931","0.0008","18.73","0.002","11.5194","0.0013","90","","99.603","0.002","90","","1700.4","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","2","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0455","0.0424","","","0.0995","0.1019","","","","","","1.063","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004532","15.2184","0.0017","19.767","0.002","19.104","0.002","90","","98.488","0.002","90","","5684","1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61.25 H56 N6 O2 Ti -","- C61.25 H56 N6 O2 Ti -","- C245 H224 N24 O8 Ti4 -","4","2","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.71073","MoKα","","0.1366","0.0786","","","0.2108","0.2612","","","","","","1.047","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004535","19.454","0.002","19.6057","0.0015","24.4069","0.0018","90","","90.122","0.004","90","","9309","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H56 N6 O2 Ti -","- C50 H56 N6 O2 Ti -","- C400 H448 N48 O16 Ti8 -","8","4","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.087","0.0801","","","0.1871","0.1966","","","","","","1.07","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004576","11.5705","0.0001","16.4235","0.0001","22.5312","0.0002","90","","104.558","0.0003","90","","4144.09","0.06","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H128 B N2 O9 Y -","- C87 H128 B N2 O9 Y -","- C174 H256 B2 N4 O18 Y2 -","2","1","","Liu, Qiancai; Meermann, Christian; Görlitzer, Hans W.; Runte, Oliver; Herdtweck, Eberhardt; Sirsch, Peter; Törnroos, Karl W.; Anwander, Reiner","Cationic rare-earth metal SALEN complexes","Dalton Transactions","2008","","44","6170","6178","10.1039/b808781d","","","0.71073","MoKα","","0.057","0.0436","","","0.0902","0.0968","","","","","","1.037","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004577","11.4435","0.0001","16.4029","0.0002","22.5931","0.0003","90","","103.653","0.0004","90","","4121.04","0.08","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H128 B La N2 O9 -","- C87 H128 B La N2 O9 -","- C174 H256 B2 La2 N4 O18 -","2","1","","Liu, Qiancai; Meermann, Christian; Görlitzer, Hans W.; Runte, Oliver; Herdtweck, Eberhardt; Sirsch, Peter; Törnroos, Karl W.; Anwander, Reiner","Cationic rare-earth metal SALEN complexes","Dalton Transactions","2008","","44","6170","6178","10.1039/b808781d","","","0.71073","MoKα","","0.0376","0.0294","","","0.0611","0.064","","","","","","1.031","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004583","8.908","0.0008","6.6637","0.0006","11.1476","0.001","90","","90.789","0.001","90","","661.66","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Br2 Cu N3 -","- C12 H11 Br2 Cu N3 -","- C24 H22 Br4 Cu2 N6 -","2","1","","Li, Rongqing; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Monomeric, dimeric and 1D chain polymeric copper(ii) complexes of a pyrrole-containing tridentate Schiff-base ligand and its 4-brominated analogue","Dalton Transactions","2008","","43","6014","6022","10.1039/b808845d","","","0.71073","MoKα","","0.0599","0.0585","","","0.1544","0.1558","","","","","","1.032","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004623","9.758","0.005","15.027","0.005","15.102","0.005","90","","93.652","0.005","90","","2210","1.5","150","1","150","1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H47 B Cl2 Cu F4 N5 O4 S2 -","- C41 H47 B Cl2 Cu F4 N5 O4 S2 -","- C82 H94 B2 Cl4 Cu2 F8 N10 O8 S4 -","2","1","","Caselli, Alessandro; Cesana, Francesca; Gallo, Emma; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Celentano, Giuseppe; Cenini, Sergio","Designing new ligands: asymmetric cyclopropanation by Cu(i) complexes based on functionalised pyridine-containing macrocyclic ligands","Dalton Transactions","2008","","32","4202","4205","10.1039/b809317m","","","0.71069","MoKα","","0.1256","0.0538","","","0.0897","0.1121","","","","","","0.983","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004747","15.912","0.002","23.792","0.004","17.535","0.002","90","","113.519","0.001","90","","6086.9","1.5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C134 H118 Cl6 N4 Ni2 O24 -","- C134 H118 Cl6 N4 Ni2 O24 -","- C268 H236 Cl12 N8 Ni4 O48 -","2","1","","Chollet-Krugler, Marylène; Tomasi, Sophie; Uriac, Philippe; Toupet, Loic; van de Weghe, Pierre","Preparation and characterization of copper(ii) and nickel(ii) complexes of a new chiral salen ligand derived from (+)-usnic acid","Dalton Transactions","2008","","46","6524","6526","10.1039/b811589c","","","0.71069","MoKα","","0.2304","0.0622","","","0.1245","0.1512","","","","","","0.701","","","","has coordinates,has disorder","179751","2020-10-21","18:00:00",""
"7004762","7.613","0.009","7.188","0.005","8.594","0.009","90","","105.8","0.12","90","","452.5","0.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","(3-Methylamino-1-propanolato-O,N)-dimethylgallium","[3-Methylamino-1-propanolato-O,N]-dimethylgallium","","- C6 H16 Ga N O -","- C6 H16 Ga N O -","- C12 H32 Ga2 N2 O2 -","2","1","","Willner, Alexander; Hepp, Alexander; Mitzel, Norbert W.","Organo-aluminium and -gallium complexes with ω-NH-functional alkoxide ligands","Dalton Transactions","2008","","47","6832","6842","10.1039/b811792f","","","0.71073","MoKα","","0.0622","0.0579","","","0.1489","0.1563","","","","","","1.189","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004768","8.3139","0.0002","19.209","0.0003","11.6299","0.0002","90","","93.974","0.001","90","","1852.85","0.06","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H71 Mg N4 Na -","- C37 H71 Mg N4 Na -","- C74 H142 Mg2 N8 Na2 -","2","1","","Kennedy, Alan R.; O'Hara, Charles T.","Isolation and characterisation of a (−)-sparteine coordinated mixed alkyl/amido sodium magnesiate, a chiral variant of an important utility ate base","Dalton Transactions","2008","","37","4975","4977","10.1039/b812085b","","","0.71073","MoKα","","0.062","0.0421","","","0.084","0.0924","","","","","","1.047","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004815","8.627","0.0005","22.8973","0.0013","16.9475","0.001","90","","91.21","0.005","90","","3347","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(N,N'-Bis(2,6-di-isopropylphenyl)-pentan-2,4-di-iminato-N,N') -(4-dimethylaminopyridine-N)-nickel(i)","(N,N'-Bis(2,6-di-isopropylphenyl)-pentan-2,4-di-iminato-N,N') -(4-dimethylaminopyridine-N)-nickel(I)","","- C36 H51 N4 Ni -","- C36 H51 N4 Ni -","- C144 H204 N16 Ni4 -","4","2","","Pfirrmann, Stefan; Limberg, Christian; Ziemer, Burkhard","A low-coordinate nickel(ii) hydride complex and its reactivity","Dalton Transactions","2008","","47","6689","6691","10.1039/b816136b","","","0.71073","MoKα","","0.1143","0.0921","","","0.2435","0.2655","","","","","","1.065","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004868","17.466","0.004","6.0751","0.0012","21.219","0.004","90","","113.81","0.03","90","","2059.9","0.9","173","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 B Cl3 P2 Pt -","- C16 H22 B Cl3 P2 Pt -","- C64 H88 B4 Cl12 P8 Pt4 -","4","2","","Charmant, Jonathan P. H.; Fan, Cheng; Norman, Nicholas C.; Pringle, Paul G.","Synthesis and reactivity of dichloroboryl complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2007","","1","114","123","10.1039/b612039n","","x-ray","0.71074","MoKα","","0.0299","0.027","","","0.0582","0.064","","","","","","1.063","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004882","9.9415","0.0008","11.9758","0.0007","10.0268","0.0008","90","","94.766","0.007","90","","1189.64","0.15","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl Cu N5 O9 -","- C21 H20 Cl Cu N5 O9 -","- C42 H40 Cl2 Cu2 N10 O18 -","2","1","","Yajima, Tatsuo; Takamido, Reiko; Shimazaki, Yuichi; Odani, Akira; Nakabayashi, Yasuo; Yamauchi, Osamu","Pi-pi stacking assisted binding of aromatic amino acids by copper(II)-aromatic diimine complexes. Effects of ring substituents on ternary complex stability.","Dalton transactions (Cambridge, England : 2003)","2007","","3","299","307","10.1039/b612394e","","","1.54178","CuKα","","","0.0472","","","","0.1256","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004893","8.2505","0.0007","11.0013","0.001","9.4013","0.0008","90","","109.72","0.002","90","","803.28","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Ethoxo(2-oxo-benzaldehyde 2S-(2-tert-butylethoxo) imine)oxovanadium(V)","","","- C15 H22 N O4 V -","- C15 H22 N O4 V -","- C30 H44 N2 O8 V2 -","2","1","","Hsieh, Sheng-Hsiung; Kuo, Ya-Pei; Gau, Han-Mou","Synthesis, characterization, and structures of oxovanadium(V) complexes of Schiff bases of beta-amino alcohols as tunable catalysts for the asymmetric oxidation of organic sulfides and asymmetric alkynylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2007","","1","97","106","10.1039/b613212j","","","0.71073","MoKα","","0.0273","0.0265","","","0.0733","0.0739","","","","","","1.025","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004910","7.6852","0.0009","3.5113","0.0003","8.1103","0.0017","90","","111.78","0.014","90","","203.23","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H5 Na O4 -","- C H5 Na O4 -","- C2 H10 Na2 O8 -","2","1","","Walker, Martin; Morrison, Carole A.; Allan, David R.; Pulham, Colin R.; Marshall, William G.","A new high pressure phase of sodium formate dihydrate; an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2007","","20","2014","2019","10.1039/b613444k","","","0.71073","MoKα","","0.086","0.0827","","0.0918","0.0893","0.0893","","","","","","1.1988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7004911","7.6914","0.0009","3.51868","0.00027","8.1102","0.0009","90","","111.806","0.008","90","","203.79","0.04","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C D5 Na O4 -","- C D5 Na O4 -","- C2 D10 Na2 O8 -","2","1","","Walker, Martin; Morrison, Carole A.; Allan, David R.; Pulham, Colin R.; Marshall, William G.","A new high pressure phase of sodium formate dihydrate; an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2007","","20","2014","2019","10.1039/b613444k","powder diffraction","","","","","","","","","","","","","1.1","","","","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7004972","10.709","0.003","10.383","0.003","16.57","0.004","90","","108.06","0.004","90","","1751.7","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H35 B20 Co Mo O2 Se4 -","- C16 H35 B20 Co Mo O2 Se4 -","- C32 H70 B40 Co2 Mo2 O4 Se8 -","2","1","","Chen, Yin-Qiang; Zhang, Jiasheng; Cai, Shuyi; Hou, Xiu-Feng; Schumann, Herbert; Jin, Guo-Xin","Syntheses and structures of heterometallic clusters by the reaction of o-carboranyl cobaltadichalcogenolato complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","7","749","758","10.1039/b614123d","","","0.71073","MoKα","","0.0856","0.0539","","","0.1079","0.1163","","","","","","0.88","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005040","16.227","0.003","11.094","0.002","18.502","0.004","90","","105.87","0.03","90","","3203.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 Br4 N5 Re -","- C24 H42 Br4 N5 Re -","- C96 H168 Br16 N20 Re4 -","4","2","","Chiozzone, Raúl; González, Ricardo; Kremer, Carlos; Cerdá, María Fernanda; Armentano, Donatella; De Munno, Giovanni; Martínez-Lillo, José; Faus, Juan","A novel series of rhenium-bipyrimidine complexes: synthesis, crystal structure and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2007","","6","653","660","10.1039/b615136a","","","0.71073","MoKα","","0.0734","0.0501","","","0.1143","0.1218","","","","","","0.892","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005246","8.5468","0.0008","8.5592","0.0007","19.1536","0.0018","90","","95.64","0.005","90","","1394.4","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1284","1292","10.1039/b618480d","","","0.71073","MoKα","","0.0386","0.0335","","","0.09","0.0954","","","","","","1.033","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005247","8.4966","0.0007","8.5537","0.0006","18.43","0.0015","90","","98.353","0.004","90","","1325.23","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1284","1292","10.1039/b618480d","","","0.71073","MoKα","","0.0301","0.0298","","","0.0748","0.0753","","","","","","1.155","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005248","8.5441","0.0006","8.5611","0.0006","19.2084","0.0013","90","","95.582","0.004","90","","1398.37","0.17","300","2","300","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) 1.56:0.44 tetrafluoroborate: perchlorate salt","","- C22 H18 B1.56 Cl0.44 F6.24 Fe N10 O1.76 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1284","1292","10.1039/b618480d","","","0.71073","MoKα","","0.0832","0.0456","","","0.1159","0.1366","","","","","","1.021","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005249","8.5049","0.0003","8.5662","0.0004","18.4963","0.0007","90","","98.411","0.002","90","","1333.05","0.09","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) 1.56:0.44 tetrafluoroborate: perchlorate salt","","- C22 H18 B1.56 Cl0.44 F6.24 Fe N10 O1.76 -","- C22 H18 B1.56 Cl0.44 F6.24 Fe N10 O1.76 -","- C44 H36 B3.12 Cl0.88 F12.48 Fe2 N20 O3.52 -","2","1","","Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1284","1292","10.1039/b618480d","","","0.71073","MoKα","","0.0611","0.0497","","","0.1004","0.1034","","","","","","1.077","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005250","8.5693","0.0003","8.5868","0.0003","19.3352","0.0007","90","","95.597","0.002","90","","1415.96","0.09","300","2","300","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) 0.87:1.13 tetrafluoroborate: perchlorate salt","","- C22 H18 B0.87 Cl1.13 F3.48 Fe N10 O4.52 -","- C22 H18 B0.87 Cl1.13 F8 Fe N10 -","- C44 H36 B1.74 Cl2.26 F16 Fe2 N20 -","2","1","","Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1284","1292","10.1039/b618480d","","","0.71073","MoKα","","0.0848","0.0501","","","0.1343","0.1551","","","","","","1.02","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005251","8.5348","0.0003","8.5892","0.0003","18.6089","0.0006","90","","98.567","0.002","90","","1348.94","0.08","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) 0.87:1.13 tetrafluoroborate: perchlorate salt","","- C22 H18 B0.87 Cl1.13 F3.48 Fe N10 O4.52 -","- C22 H18 B0.87 Cl1.13 F3.48 Fe N10 O4.52 -","- C44 H36 B1.74 Cl2.26 F6.96 Fe2 N20 O9.04 -","2","1","","Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1284","1292","10.1039/b618480d","","","0.71073","MoKα","","0.0452","0.0398","","","0.0989","0.1016","","","","","","1.074","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005261","9.132","0.005","19.071","0.005","9.973","0.005","90","","104.076","0.005","90","","1684.7","1.3","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","(3,5,6-tri-O-(2-picolyl)-1,2-isopropylidene-alpha-D- glucofuranose) CoII (PF6)2","[3,5,6-tri-O-(2-picolyl)-1,2-isopropylidene-α-D-glucofuranose] CoII (PF6)2","","- C27 H33 Co F12 N3 O7 P2 -","- C27 H31 Co F12 N3 O7 P2 -","- C54 H62 Co2 F24 N6 O14 P4 -","2","1","","Cisnetti, Federico; Guillot, Régis; Desmadril, Michel; Pelosi, Giorgio; Policar, Clotilde","Glycoligands and Co(II) glycocomplexes. Investigation of the variation of the sugar-scaffold on the structure and chirality measured by circular dichroism.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1473","1476","10.1039/b618714e","","","0.71069","MoKα","","0.0441","0.0349","","","0.0812","0.0844","","","","","","1.035","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005263","9.1512","0.0007","19.1282","0.0015","10.0022","0.0008","90","","104.159","0.001","90","","1697.7","0.2","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","(3,5,6-tri-O-(2-picolyl)-1,2-isopropylidene-alpha-L- glucofuranose Co(ii)) (PF6)2","[3,5,6-tri-O-(2-picolyl)-1,2-isopropylidene-α-L-glucofuranose Co(II)] (PF6)2","","- C27 H33 Co F12 N3 O7 P2 -","- C27 H31 Co F12 N3 O7 P2 -","- C54 H62 Co2 F24 N6 O14 P4 -","2","1","","Cisnetti, Federico; Guillot, Régis; Desmadril, Michel; Pelosi, Giorgio; Policar, Clotilde","Glycoligands and Co(II) glycocomplexes. Investigation of the variation of the sugar-scaffold on the structure and chirality measured by circular dichroism.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1473","1476","10.1039/b618714e","","x-ray","0.71073","MoKα","","0.0652","0.0491","","","0.1152","0.1213","","","","","","1.056","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005280","12.5693","0.0017","32.926","0.004","12.6967","0.0017","90","","119.512","0.002","90","","4572.8","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2,2-bis(benzanthracenol imine)binaphthyl Zn(ii))2 (CH2CL2)2 (Et2O)","[2,2-bis(benzanthracenol imine)binaphthyl Zn(II)]2 (CH2CL2)2 (Et2O)","","- C122 H82 Cl4 N4 O5 Zn2 -","- C122 H82 Cl4 N4 O5 Zn2 -","- C244 H164 Cl8 N8 O10 Zn4 -","2","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(II) and zinc(II) monohelical binaphthyl-salen complexes with overlapping benz[a]anthryl sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1520","1527","10.1039/B700001D","","","0.71073","MoKα","","0.0572","0.0547","","","0.1475","0.1504","","","","","","1.335","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005288","10.2419","0.0007","19.1519","0.0013","10.3873","0.0007","90","","102.053","0.001","90","","1992.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H66 N3 O3 Si3 Tm -","- C32 H66 N3 O3 Si3 Tm -","- C64 H132 N6 O6 Si6 Tm2 -","2","1","","Lukesová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","High tacticity control in organolanthanide polymerization catalysis: formation of isotactic poly(alpha-alkenes) with a chiral C3-symmetric thulium complex.","Dalton transactions (Cambridge, England : 2003)","2007","","9","920","922","10.1039/b700269f","","x-ray","0.71073","MoKα","","0.0381","0.0324","","","0.0738","0.0769","","","","","","1.05","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005364","11.973","0.002","19.921","0.004","18.832","0.004","90","","94.64","0.03","90","","4477","1.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H48 Cl2 N10 Ni O11 S -","- C38 H48 Cl2 N10 Ni O11 S -","- C152 H192 Cl8 N40 Ni4 O44 S4 -","4","2","","Lee, Way-Zen; Tseng, Huan-Sheng; Kuo, Ting-Shen","Ligand-controlled nuclearity in nickel bis(benzimidazolyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2563","2570","10.1039/b701367a","","","0.71073","MoKα","","0.1151","0.087","","","0.2457","0.2795","","","","","","1.063","","","","has coordinates,has disorder","179757","2020-10-21","18:00:00",""
"7005509","19.257","0.003","8.2868","0.0014","5.8376","0.0007","90","","95.48","0.012","90","","927.3","0.2","298.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Fe N O -","- C22 H23 Fe N O -","- C44 H46 Fe2 N2 O2 -","2","1","","Suzaki, Yuji; Osakada, Kohtaro","Ferrocene-containing [2]- and [3]rotaxanes. Preparation via an end-capping cross-metathesis reaction and electrochemical properties","Dalton Transactions","2007","","23","2376","","10.1039/b702785k","","","0.71069","MoKα","","","0.0739","","","","0.1071","","","","","","1.305","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005529","9.786","0.003","9.186","0.003","10.804","0.003","90","","108.007","0.008","90","","923.6","0.5","93","2","93","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Hua, Guoxiong; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek","Stereoselective synthesis of olefins by a reductive coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1477","1480","10.1039/b702818k","","","0.71073","MoKα","","0.0357","0.0341","","","0.0871","0.0886","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005558","8.7538","0.0007","15.9058","0.0009","15.8563","0.0014","90","","103.728","0.007","90","","2144.7","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H60 Cl N4 O3 Yb -","- C46 H60 Cl N4 O3 Yb -","- C92 H120 Cl2 N8 O6 Yb2 -","2","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0896","0.0821","","","0.2152","0.2188","","","","","","1.273","","","","has coordinates,has disorder","179759","2020-10-21","18:00:00",""
"7005559","8.7575","0.0005","15.8985","0.0007","15.8618","0.001","90","","103.662","0.005","90","","2146","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H60 Cl N4 O3 Yb -","- C46 H60 Cl N4 O3 Yb -","- C92 H120 Cl2 N8 O6 Yb2 -","2","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0494","0.0417","","","0.1013","0.1038","","","","","","0.968","","","","has coordinates,has disorder","179759","2020-10-21","18:00:00",""
"7005561","9.3793","0.0005","15.7831","0.0011","14.0708","0.0008","90","","105.487","0.004","90","","2007.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H57 N4 O2 Yb -","- C47 H57 N4 O2 Yb -","- C94 H114 N8 O4 Yb2 -","2","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0829","0.0763","","","0.1949","0.1995","","","","","","1.081","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005587","10.7467","0.0015","8.6769","0.0012","11.5977","0.0016","90","","115.636","0.002","90","","975","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Fe N4 O3 -","- C22 H20 Fe N4 O3 -","- C44 H40 Fe2 N8 O6 -","2","1","","Wei, Kai-Ju; Ni, Jia; Xie, Yong-Shu; Liu, Yangzhong; Liu, Qing-Liang","Self-assembled hetero-bimetallic coordination cage and cation-clusters with micro(2)-Cl bridging using a flexible two-arm ferrocene amide linker.","Dalton transactions (Cambridge, England : 2003)","2007","","31","3390","3397","10.1039/b703363j","","","0.71073","MoKα","","0.0483","0.0438","","","0.1028","0.1058","","","","","","1.028","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005884","9.8818","0.0011","13.5064","0.0015","12.5856","0.0015","90","","91.8462","0.0004","90","","1678.9","0.3","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H35 Cl2 Cu N3 O14 -","- C28 H35 Cl2 Cu N3 O14 -","- C56 H70 Cl4 Cu2 N6 O28 -","2","1","","Sugai, Yuko; Fujii, Shoko; Fujimoto, Tomomi; Yano, Shigenobu; Mikata, Yuji","Asymmetric sulfur atom coordination in a copper(II) dipicolylamine (DPA) complex with a thioglycoside ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3705","3709","10.1039/b706423c","","","0.7107","MoKα","","","0.0333","","","","0.088","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005905","8.7652","0.0006","22.1004","0.0015","10.4417","0.0007","90","","91.874","0.001","90","","2021.6","0.2","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","Silver(i) Trifluoromethylsulfonate Complex with 4,4'- Bipyridazine, Solvate with 2/3 Water","Silver(I) Trifluoromethylsulfonate Complex with 4,4'-Bipyridazine, Solvate with 2/3 Water","","- C27 H22 Ag3 F9 N12 O11 S3 -","- C27 H22 Ag3 F9 N12 O11 S3 -","- C54 H44 Ag6 F18 N24 O22 S6 -","2","1","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0234","0.021","","","0.0495","0.05","","","","","","1.014","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7006023","6.648","0.001","12.313","0.003","16.448","0.003","90","","99.44","0.03","90","","1328.1","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H38 Cl3 N Si2 Ti -","- C22 H38 Cl3 N Si2 Ti -","- C44 H76 Cl6 N2 Si4 Ti2 -","2","1","","Allen, Olivia R.; Gott, Andrew L.; Hartley, John A.; Hartley, Janet M.; Knox, Richard J.; McGowan, Patrick C.","Functionalised cyclopentadienyl titanium compounds as potential anticancer drugs.","Dalton transactions (Cambridge, England : 2003)","2007","","43","5082","5090","10.1039/b708283p","","x-ray","0.71073","MoKα","","0.034","0.03","","","0.0754","0.0778","","","","","","1.035","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006064","8.1814","0.0001","10.2364","0.0002","18.8554","0.0004","90","","94.176","0.001","90","","1574.91","0.05","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 B2 F8 Fe N12 -","- C26 H32 B2 F8 Fe N12 -","- C52 H64 B4 F16 Fe2 N24 -","2","1","","Moubaraki, Boujemaa; Leita, Ben A.; Halder, Gregory J.; Batten, Stuart R.; Jensen, Paul; Smith, Jonathan P.; Cashion, John D.; Kepert, Cameron J.; Létard, Jean-François; Murray, Keith S.","Structure, magnetism and photomagnetism of mixed-ligand tris(pyrazolyl)methane iron(ii) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2007","","39","4413","4426","10.1039/b708773j","","","0.71073","MoKα","","0.0844","0.0532","","","0.1336","0.1521","","","","","","1.09","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006073","8.5079","0.0017","10.459","0.002","19.534","0.004","90","","96.72","0.03","90","","1726.3","0.6","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H35 B2 F8 Fe N9 -","- C32 H35 B2 F8 Fe N9 -","- C64 H70 B4 F16 Fe2 N18 -","2","1","","Moubaraki, Boujemaa; Leita, Ben A.; Halder, Gregory J.; Batten, Stuart R.; Jensen, Paul; Smith, Jonathan P.; Cashion, John D.; Kepert, Cameron J.; Létard, Jean-François; Murray, Keith S.","Structure, magnetism and photomagnetism of mixed-ligand tris(pyrazolyl)methane iron(ii) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2007","","39","4413","4426","10.1039/b708773j","","","0.71073","MoKα","","0.0317","0.0293","","","0.0747","0.076","","","","","","1.043","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006114","11.9633","0.0006","9.9176","0.0005","13.4452","0.0006","90","","114.899","0.003","90","","1446.96","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 B4 Fe2 O8 -","- C30 H32 B4 Fe2 O8 -","- C60 H64 B8 Fe4 O16 -","2","1","","Day, Joanna K.; Bresner, Chrisopher; Fallis, Ian A.; Ooi, Li-Ling; Watkin, David J.; Coles, Simon J.; Male, Louise; Hursthouse, Michael B.; Aldridge, Simon","Synthesis of polymeric and macrocyclic Lewis acids: influence of backbone on degree of aggregation.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3486","3488","10.1039/b709042k","","","0.71073","MoKα","","0.0474","0.0398","","0.0939","0.0882","0.0939","","","","","","0.9908","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006149","11.894","0.012","25.95","0.02","13.804","0.014","90","","102.102","0.018","90","","4166","7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H43 Cl3 N6 O Zn2 -","- C42 H43 Cl3 N6 O Zn2 -","- C168 H172 Cl12 N24 O4 Zn8 -","4","2","","Champouret, Yohan D. M.; Nodes, William J.; Scrimshire, Jason A.; Singh, Kuldip; Solan, Gregory A.; Young, Isla","Sterically variable dizinc complexes bearing bis(iminopyridyl)phenolate ligands: synthesis, structures and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2007","","40","4565","4575","10.1039/b709385c","","","0.71073","MoKα","","0.092","0.0548","","","0.0815","0.0909","","","","","","0.865","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7006157","8.9858","0.0001","7.9727","0.0001","12.3989","0.0002","90","","96.8678","0.0008","90","","881.9","0.02","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H27 Cl2 N5 Ni O4 -","- C11 H27 Cl2 N5 Ni O4 -","- C22 H54 Cl4 N10 Ni2 O8 -","2","1","","Siegfried, Liselotte; McMahon, C. Niamh; Baumeister, Jan; Neuburger, Markus; Kaden, Thomas A.; Anandaram, Sreekanth; Palivan, Cornelia G.","Homo- and heteropolynuclear Ni2+ and Cu2+ complexes of polytopic ligands, consisting of a tren unit substituted with three 12-membered tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4797","4810","10.1039/b709422a","","","0.71073","MoKα","","0.0344","0.0291","","0.0361","0.0353","0.0353","","","","","","1.0409","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006160","15.0432","0.0014","17.1668","0.0017","15.9752","0.0014","90","","111.564","0.004","90","","3836.7","0.6","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(benzoquinoline imine)cyclohexane ZnCl2 (dichloromethane)2","","- C36 H32 Cl8 N4 Zn2 -","- C36 H32 Cl8 N4 Zn2 -","- C144 H128 Cl32 N16 Zn8 -","4","2","","Prema, Dipesh; Wiznycia, Alexander V.; Scott, Benjamin M. T.; Hilborn, Jessica; Desper, John; Levy, Christopher J.","Dinuclear zinc(II) complexes of symmetric Schiff-base ligands with extended quinoline sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4788","4796","10.1039/b709454j","","","0.71073","MoKα","","0.1456","0.1044","","","0.2516","0.264","","","","","","1.467","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006161","17.5549","0.001","11.7013","0.0007","17.5582","0.0011","90","","116.636","0.003","90","","3223.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","AL-3-163","","- C74 H70 Cl4 N4 Zn2 -","- C74 H70 Cl4 N4 Zn2 -","- C148 H140 Cl8 N8 Zn4 -","2","1","","Prema, Dipesh; Wiznycia, Alexander V.; Scott, Benjamin M. T.; Hilborn, Jessica; Desper, John; Levy, Christopher J.","Dinuclear zinc(II) complexes of symmetric Schiff-base ligands with extended quinoline sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4788","4796","10.1039/b709454j","","","0.71073","MoKα","","0.0535","0.036","","","0.0761","0.0806","","","","","","0.903","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006179","12.0995","0.0002","9.8513","0.0002","13.4689","0.0002","90","","98.281","0.001","90","","1588.7","0.05","298","2","298","2","","","","","","","Synthesized","7","P 1 21 1","P 2yb","4","","","","- C32 H40 Cu Fe2 N2 O4 S2 -","- C32 H40 Cu Fe2 N2 O4 S2 -","- C64 H80 Cu2 Fe4 N4 O8 S4 -","2","1","","Sahoo, Subash Chandra; Ray, Manabendra","Ferrocene substitution in amino acids strengthens the axial binding in Cu(II) complexes and separates the hydrophobic and hydrophilic region in the crystals.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5148","5155","10.1039/b709662c","","","0.71073","MoKα","","0.0555","0.0295","","","0.0546","0.0587","","","","","","0.909","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006180","11.7307","0.0003","9.5491","0.0002","17.4332","0.0004","90","","106.12","0.002","90","","1876.05","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cu Fe2 N4 O10 -","- C30 H30 Cu Fe2 N4 O10 -","- C60 H60 Cu2 Fe4 N8 O20 -","2","1","","Sahoo, Subash Chandra; Ray, Manabendra","Ferrocene substitution in amino acids strengthens the axial binding in Cu(II) complexes and separates the hydrophobic and hydrophilic region in the crystals.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5148","5155","10.1039/b709662c","","","0.71073","MoKα","","0.0841","0.0544","","","0.1375","0.1563","","","","","","0.967","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006256","9.403","0.005","19.844","0.005","10.566","0.005","90","0.005","114.647","0.005","90","0.005","1791.9","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 O10 P2 Pd S2 -","- C32 H36 O10 P2 Pd S2 -","- C64 H72 O20 P4 Pd2 S4 -","2","1","","Bettucci, Lorenzo; Bianchini, Claudio; Claver, Carmen; Suarez, Eduardo J Garcia; Ruiz, Aurora; Meli, Andrea; Oberhauser, Werner","Ligand effects in the non-alternating CO-ethylene copolymerization by palladium(II) catalysis.","Dalton transactions (Cambridge, England : 2003)","2007","","47","5590","5602","10.1039/b711280g","","","0.71069","MoKα","","0.0306","0.0299","","","0.0827","0.0832","","","","","","1.081","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006305","20.78","0.002","15.006","0.003","23.042","0.002","90","","96.081","0.004","90","","7144.6","1.7","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C241 H304 Ag4 B4 Cl24 F16 N16 O19 S16 -","- C241 H304 Ag4 B4 Cl24 F16 N16 O19 S16 -","- C241 H304 Ag4 B4 Cl24 F16 N16 O19 S16 -","1","0.5","","Kozlova, Marina N.; Ferlay, Sylvie; Solovieva, Svetlana E.; Antipin, Igor S.; Konovalov, Alexander I.; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: on the formation of 1-D silver coordination networks by thiacalixarenes bearing nitrile groups.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5126","5131","10.1039/b712351e","","","0.71073","MoKα","","0.1717","0.1057","","","0.283","0.3317","","","","","","1.102","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006306","13.7751","0.0004","15.2061","0.0006","16.6762","0.0004","90","","94.453","0.003","90","","3482.54","0.19","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C58 H72 Ag Cl4 F6 N4 O4 P S4 -","- C58 H72 Ag Cl4 F6 N4 O4 P S4 -","- C116 H144 Ag2 Cl8 F12 N8 O8 P2 S8 -","2","1","","Kozlova, Marina N.; Ferlay, Sylvie; Solovieva, Svetlana E.; Antipin, Igor S.; Konovalov, Alexander I.; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: on the formation of 1-D silver coordination networks by thiacalixarenes bearing nitrile groups.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5126","5131","10.1039/b712351e","","","0.71073","MoKα","","0.1003","0.0779","","","0.2174","0.2385","","","","","","1.002","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006326","13.975","0.003","14.692","0.003","14.367","0.003","90","","94.54","0.03","90","","2940.6","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H83 Eu N10 O20 -","- C50 H83 Eu N10 O20 -","- C100 H166 Eu2 N20 O40 -","2","1","","Paluch, Marta; Lisowski, Jerzy; Lis, Tadeusz","Lanthanide complexes of chiral 3 + 3 macrocycles derived from (1R,2R)-1,2-diaminocyclohexane and 2,6-diformyl-4-methylphenol.","Dalton transactions (Cambridge, England : 2003)","2006","","2","381","388","10.1039/b502863a","","","1.5418","CuKα","","0.0743","0.0676","","","0.1718","0.1834","","","","","","1.014","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006327","14.65","0.004","18.789","0.004","14.803","0.004","90","","92.56","0.03","90","","4070.6","1.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H54 N6 O3 -","- C45 H54 N6 O3 -","- C180 H216 N24 O12 -","4","2","","Paluch, Marta; Lisowski, Jerzy; Lis, Tadeusz","Lanthanide complexes of chiral 3 + 3 macrocycles derived from (1R,2R)-1,2-diaminocyclohexane and 2,6-diformyl-4-methylphenol.","Dalton transactions (Cambridge, England : 2003)","2006","","2","381","388","10.1039/b502863a","","","1.5418","CuKα","","0.096","0.0626","","","0.1305","0.1521","","","","","","0.893","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006359","5.4376","0.0015","18.426","0.005","5.5827","0.0016","90","","104.483","0.004","90","","541.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H8 Cd N4 O5 S -","- C7 H8 Cd N4 O5 S -","- C14 H16 Cd2 N8 O10 S2 -","2","1","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0194","0.0189","","","0.0482","0.0485","","","","","","1.069","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006387","13.7886","0.0013","20.1732","0.0019","14.6935","0.0014","90","","97.182","0.002","90","","4055.1","0.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","tris-((mu2-(1R,4R)-1,7,7-trimethylbicyclo(2.2.1)heptane-2-one oximato-O)dimethylaluminium)","","","- C36 H66 Al3 N3 O3 -","- C36 H66 Al3 N3 O3 -","- C144 H264 Al12 N12 O12 -","4","2","","Ullrich, Matthias; Mitzel, Norbert W.; Bergander, Klaus; Fröhlich, Roland","Organoaluminium complexes with sterically demanding oximato ligands: does a bulky and rigid ligand backbone change the aggregation motif?","Dalton transactions (Cambridge, England : 2003)","2006","","5","714","721","10.1039/b509511e","","","0.71073","MoKα","","0.1141","0.0794","","","0.1566","0.1713","","","","","","1.06","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006431","12.2393","0.001","14.3304","0.001","13.449","0.001","90","","96.518","0.004","90","","2343.6","0.3","200","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H58 N2 O8 Sn2 -","- C46 H58 N2 O8 Sn2 -","- C92 H116 N4 O16 Sn4 -","2","1","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","","0.71073","MoKα","","0.0337","0.0247","","","0.048","0.0504","","","","","","1.042","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006433","8.905","0.002","5.256","0.001","9.185","0.003","90","","99.11","0.01","90","","424.48","0.19","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","","0.71073","MoKα","","0.0388","0.0338","","0.0832","0.0809","","","","1.083","1.108","1.108","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006440","9.62","0.006","10.998","0.008","13.319","0.007","90","","108.71","0.05","90","","1334.7","1.5","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 N10 O8 Zn -","- C20 H38 N10 O8 Zn -","- C40 H76 N20 O16 Zn2 -","2","1","","Bazzicalupi, Carla; Bencini, Andrea; Faggi, Enrico; Garau, Alessandra; Giorgi, Claudia; Lippolis, Vito; Perra, Alessandro; Valtancoli, Barbara","Encapsulation of metal cations and anions within the cavity of bis(1,4,7-triazacyclononane) receptors.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1409","1418","10.1039/b510669a","","","1.5418","CuKα","","0.105","0.0622","","","0.1521","0.1759","","","","","","0.915","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006535","10.1601","0.0007","13.902","0.0009","10.9422","0.0008","90","","107.548","0.008","90","","1473.62","0.19","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Nitrosyl-tris(trimethylphosphine)-N-benzylidene-1-naphthylamine- molybdenum","","- C26 H41 Mo N2 O P3 -","- C26 H41 Mo N2 O P3 -","- C52 H82 Mo2 N4 O2 P6 -","2","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.0622","0.0348","","","0.0687","0.0712","","","","","","0.671","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006586","11.234","0.005","23.253","0.005","19.581","0.005","90","","98.723","0.005","90","","5056","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H52 Cl2 Cu2 N9 O16 -","- C43.5 H53 Cl2 Cu2 N9 O15.5 -","- C174 H212 Cl8 Cu8 N36 O62 -","4","2","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71069","MoKα","","0.1271","0.0765","","","0.1636","0.1882","","","","","","1.003","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006589","14.9231","0.001","23.3654","0.0014","15.212","0.0009","90","","118.93","0.007","90","","4642.3","0.6","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H84 Cl18 F12 N6 P2 Ru -","- C78 H84 Cl18 F12 N6 P2 Ru -","- C156 H168 Cl36 F24 N12 P4 Ru2 -","2","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.1137","0.0562","","","0.1164","0.1316","","","","","","0.855","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006591","14.8936","0.0013","21.6543","0.0012","15.3712","0.0012","90","","118.321","0.006","90","","4364","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C86 H108 F6 N6 O10 Os S2 -","- C72 H84 N6 Os -","- C144 H168 N12 Os2 -","2","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.113","0.0824","","","0.2013","0.2173","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006626","8.5889","0.0013","18.95","0.003","12.6315","0.0019","90","","97.277","0.003","90","","2039.3","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H53 Cl Co N7 O13 -","- C33 H51 Cl Co N7 O13 -","- C66 H102 Cl2 Co2 N14 O26 -","2","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.0309","0.0297","","","0.0797","0.0804","","","","","","1.029","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006646","9.07","0.0007","21.5846","0.0017","11.4543","0.0009","90","","94.326","0.002","90","","2236","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H42 B Cl5 F4 N2 Ni P2 -","- C43 H42 B Cl5 F4 N2 Ni P2 -","- C86 H84 B2 Cl10 F8 N4 Ni2 P4 -","2","1","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.0607","0.0544","","","0.1284","0.1326","","","","","","1.034","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006651","6.52","0.0004","19.3181","0.0011","9.6743","0.0006","90","","106.089","0.001","90","","1170.79","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N3 O4 S -","- C23 H35 N3 O4 S -","- C46 H70 N6 O8 S2 -","2","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0593","0.0445","","","0.0982","0.1071","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006653","9.3203","0.0006","10.7524","0.0008","16.0394","0.0011","90","","104.198","0.002","90","","1558.3","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H41 Cu N3 O8 S -","- C27 H41 Cu N3 O8 S -","- C54 H82 Cu2 N6 O16 S2 -","2","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0717","0.0534","","","0.1291","0.1384","","","","","","1.057","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006662","11.9876","0.0004","20.4369","0.0006","15.942","0.0005","90","","99.365","0.001","90","","3853.6","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Fe2 Mn N12 O38.5 -","- C68 H50 Fe2 Mn N12 O38.5 -","- C136 H100 Fe4 Mn2 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.0405","0.0387","","","0.1046","0.1062","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006663","11.9844","0.0005","20.3785","0.0007","15.8706","0.0006","90","","99.328","0.002","90","","3824.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Co Fe2 N12 O38.5 -","- C68 H50 Co Fe2 N12 O38.5 -","- C136 H100 Co2 Fe4 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.0559","0.0478","","","0.1201","0.1263","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006664","12.059","0.003","20.686","0.005","16.154","0.004","90","","98.544","0.003","90","","3984.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Cr2 Mn N12 O38.5 -","- C68 H40 Cr2 Mn N12 O38.5 -","- C136 H80 Cr4 Mn2 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.1642","0.1058","","","0.202","0.2377","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006665","12.0013","0.0012","20.4966","0.0018","16.0309","0.0015","90","","98.605","0.005","90","","3899","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Co Cr2 N12 O38.5 -","- C68 H48 Co Cr2 N12 O38.5 -","- C136 H96 Co2 Cr4 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.0963","0.0712","","","0.1722","0.1906","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006672","8.237","0.0016","16.152","0.003","17.347","0.004","90","","90.3","0.03","90","","2307.9","0.8","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H31 Cl2 Co N4 O6.5 Zn -","- C14 H26 Cl2 Co N4 O6.5 Zn -","- C56 H104 Cl8 Co4 N16 O26 Zn4 -","4","2","","Tonei, Deborah M.; Ware, David C.; Brothers, Penelope J.; Plieger, Paul G.; Clark, George R.","Coordination chemistry of 1,4-bis-carboxymethylcyclam, H(2)(1,4-bcc).","Dalton transactions (Cambridge, England : 2003)","2006","","1","152","158","10.1039/b512798j","","","0.71073","MoKα","","0.1164","0.0941","","","0.2207","0.2371","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006692","14.5088","0.0011","10.1068","0.0006","29.765","0.002","90","","93.639","0.003","90","","4355.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H64 Cl Co N2 O2 -","- C48 H64 Cl Co N2 O2 -","- C192 H256 Cl4 Co4 N8 O8 -","4","2","","Cohen, Claire T.; Thomas, Christophe M.; Peretti, Kathryn L.; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of cyclohexene oxide and carbon dioxide using (salen)Co(III) complexes: synthesis and characterization of syndiotactic poly(cyclohexene carbonate).","Dalton transactions (Cambridge, England : 2003)","2006","","1","237","249","10.1039/b513107c","","","0.71073","MoKα","","0.0808","0.0589","","","0.1325","0.1408","","","","","","1.076","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006733","14.5528","0.0001","12.6006","0.0001","26.9905","0.0002","90","","103.727","0.0003","90","","4808","0.06","173","","173","","","","","","","","see text","6","P 1 21 1","P 2yb","4","(R,R)-(Salcyc)Sc[N(SiHMe2)2]","[N,N'-bis(3,5-di-tert.-butylsalicylidene)-trans-1,2-cyclohexylendiamino] [bis(dimethylsilyl)amido] scandium(III) (Salcyc)Sc[N(SiHMe2)2]","","- C40 H66 N3 O2 Sc Si2 -","- C40 H66 N3 O2 Sc Si2 -","- C160 H264 N12 O8 Sc4 Si8 -","4","2","","Meermann, Christian; Sirsch, Peter; Törnroos, Karl W; Anwander, Reiner","Synthesis and structural characterization of scandium SALEN complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1041","1050","10.1039/b513370j","","x-ray","0.71073","MoKα","","0.0733","0.0584","","","0.1559","0.1647","","","","","","1.056","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006801","12.098","0.001","22.786","0.001","11.955","0.001","90","","113.68","0.001","90","","3018.1","0.4","85","2","85","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H64 N21 Na O48 Si W11 -","- C10 H48 N21 Na O48 Si W11 -","- C20 H96 N42 Na2 O96 Si2 W22 -","2","1","","Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji","Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1213","1217","10.1039/b514169a","","","0.3282","synchrotron","","0.0247","0.0246","","","0.0593","0.0594","","","","","","1.098","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006896","9.3092","0.0019","19.38","0.004","15.867","0.003","90","","90.51","0.03","90","","2862.5","1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H64 Cl2 O10 P2 Ru4 -","- C55 H64 Cl2 O10 P2 Ru4 -","- C110 H128 Cl4 O20 P4 Ru8 -","2","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0178","0.0169","","","0.0399","0.0405","","","","","","1.086","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006898","9.7272","0.0019","16.058","0.003","12.132","0.002","90","","113.35","0.03","90","","1739.8","0.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 O11 P2 Ru4 -","- C28 H32 O11 P2 Ru4 -","- C56 H64 O22 P4 Ru8 -","2","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0187","0.0181","","","0.0433","0.0436","","","","","","1.09","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006900","15.9624","0.0005","19.8385","0.0006","17.5353","0.0005","90","","106.296","0.001","90","","5329.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H86 O24 P4 Ru8 -","- C91.552 H94.288 O24 P4 Ru8 -","- C183.104 H188.576 O48 P8 Ru16 -","2","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0854","0.044","","","0.0851","0.0957","","","","","","0.815","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006938","11.245","0.008","6.1","0.005","18.916","0.017","90","","98.5","0.08","90","","1283.3","1.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","2","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.0315","0.0282","","","0.0726","0.0745","","","","","","1.057","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006941","6.2601","0.0015","10.817","0.003","19.487","0.005","90","","94.534","0.004","90","","1315.4","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H38 Cu N4 O4 S2 -","- C24 H38 Cu N4 O4 S2 -","- C48 H76 Cu2 N8 O8 S4 -","2","1","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.0337","0.0312","","","0.0646","0.065","","","","","","0.919","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007068","7.532","0.003","9.024","0.002","13.837","0.004","90","","103.131","0.009","90","","915.9","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 I2 N2 P2 -","- C14 H18 I2 N2 P2 -","- C28 H36 I4 N4 P4 -","2","1","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2175","2183","10.1039/b517071k","","","0.71073","MoKα","","0.0424","0.0317","","","0.065","0.0719","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007133","6.9991","0.0016","18.333","0.004","8.3381","0.0018","90","","112.652","0.004","90","","987.4","0.4","273","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 Cu2 N8 S -","- C20 H12 Cu2 N8 S -","- C40 H24 Cu4 N16 S2 -","2","1","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.0749","0.0711","","","0.1835","0.1879","","","","","","1.107","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007150","9.4688","0.0004","15.9577","0.0006","12.6133","0.0005","90","","104.568","0.001","90","","1844.6","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","(N((C3F7)C(Mes)N)2)Li(THF)2","","","- C34 H37 F14 Li N3 O2 -","- C34 H37 F14 Li N3 O2 -","- C68 H74 F28 Li2 N6 O4 -","2","1","","Dias, H. V. Rasika; Singh, Shreeyukta","Monomeric lithium triazapentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1995","2000","10.1039/b518464a","","","0.71073","MoKα","","0.0499","0.0491","","","0.1339","0.135","","","","","","1.044","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007168","14.0551","0.0008","19.4716","0.0008","15.9493","0.0008","90","","109.305","0.004","90","","4119.5","0.4","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H60 O2 P2 Pd -","- C45 H60 O2 P2 Pd -","- C180 H240 O8 P8 Pd4 -","4","2","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.1455","0.1309","","","0.3007","0.3122","","","","","","1.038","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007172","10.656","0.002","8.994","0.002","12.649","0.003","90","","103.75","0.005","90","","1177.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H14 B Cu F12 N4 O -","- C19 H14 B Cu F12 N4 O -","- C38 H28 B2 Cu2 F24 N8 O2 -","2","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I).","Dalton transactions (Cambridge, England : 2003)","2006","","29","3576","3583","10.1039/b600915h","","","0.71073","MoKα","","0.0806","0.0569","","","0.1415","0.1602","","","","","","1.035","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007175","10.023","0.001","18.636","0.002","12.37","0.001","90","","101.087","0.001","90","","2267.5","0.4","113.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H78 N5 O Si4 Y -","- C35 H78 N5 O Si4 Y -","- C70 H156 N10 O2 Si8 Y2 -","2","1","","Westmoreland, Ian; Arnold, John","Phenoxytriamine complexes of yttrium: synthesis, structure and use in the polymerization of lactide and epsilon-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4155","4163","10.1039/b600939e","","","0.7107","MoKα","","0.0624","0.0347","","0.0513","","0.04","","","","","","0.686","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007176","10.6259","0.0007","13.6492","0.0011","11.9265","0.0009","90","","107.937","0.007","90","","1645.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H38 Cl2 O4 P2 Pd -","- C33 H38 Cl2 O4 P2 Pd -","- C66 H76 Cl4 O8 P4 Pd2 -","2","1","","Bianchini, Claudio; Brüggeller, Peter; Claver, Carmen; Czermak, Georg; Dumfort, Alexander; Meli, Andrea; Oberhauser, Werner; Garcia Suarez, Eduardo J.","Synthesis and characterization of palladium(II) complexes with new diphosphonium-diphosphine and diphosphine ligands. Production of low molecular weight alternating polyketones via catalytic CO/ethene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2964","2973","10.1039/b601154c","","","0.71073","MoKα","","0.1015","0.0451","","","0.0808","0.0949","","","","","","0.855","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007477","15.285","0.001","12.265","0.0008","15.5372","0.001","90","","91.138","0.001","90","","2912.2","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Gd.2]Cl3","[Gd.DOTAPh]Cl~3~.8H~2~O","","- C48 H82 Cl3 Gd N8 O13 -","- C48 H82 Cl3 Gd N8 O13 -","- C96 H164 Cl6 Gd2 N16 O26 -","2","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0322","0.0312","","","0.0772","0.078","","","","","","1.066","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007480","22.0655","0.0018","11.2776","0.0009","33.982","0.003","90","","94.113","0.001","90","","8434.5","1.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Yb.DOTAPh)Cl!3$.7H!2$O","[Yb.DOTAPh]Cl~3~.7H~2~O","","- C48 H78 Cl3 N8 O12 Yb -","- C48 H64 Cl3 N8 O12 Yb -","- C288 H384 Cl18 N48 O72 Yb6 -","6","3","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0573","0.0534","","","0.1122","0.1141","","","","","","1.169","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007481","13.9399","0.0011","22.68","0.0018","18.0276","0.0015","90","","93.699","0.001","90","","5687.7","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Yb.DOTAPh)Br!3$.7H!2$O","[Yb.DOTAPh]Br~3~.7H~2~O","","- C48 H78 Br3 N8 O12 Yb -","- C48 H64 Br3 N8 O12 Yb -","- C192 H256 Br12 N32 O48 Yb4 -","4","2","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0589","0.0432","","","0.1087","0.1178","","","","","","1.102","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007567","8.8106","0.0011","13.7761","0.0017","9.1967","0.0011","90","","108.001","0.002","90","","1061.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl2 P2 Pt -","- C20 H26 Cl2 P2 Pt -","- C40 H52 Cl4 P4 Pt2 -","2","1","","Baber, Angharad; de Vries, Johannes G.; Orpen, A. Guy; Pringle, Paul G.; von der Luehe, Karl","Allosteric effects in asymmetric hydrogenation catalysis? Asymmetric induction as a function of the substrate and the backbone flexibility of C1-symmetric diphosphines in rhodium-catalysed hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4821","4828","10.1039/b607479k","","","0.71073","MoKα","","0","0.0282","","","0.063","0.0653","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007568","8.9411","0.0011","11.7365","0.0014","11.1592","0.0014","90","","106.754","0.002","90","","1121.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 Cl2 P2 Pt -","- C21 H28 Cl2 P2 Pt -","- C42 H56 Cl4 P4 Pt2 -","2","1","","Baber, Angharad; de Vries, Johannes G.; Orpen, A. Guy; Pringle, Paul G.; von der Luehe, Karl","Allosteric effects in asymmetric hydrogenation catalysis? Asymmetric induction as a function of the substrate and the backbone flexibility of C1-symmetric diphosphines in rhodium-catalysed hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4821","4828","10.1039/b607479k","","","0.71073","MoKα","","0.1017","0.0559","","","0.0959","0.1108","","","","","","0.976","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007595","13.5488","0.0006","12.3949","0.0006","18.234","0.0008","90","","100.783","0.001","90","","3008.1","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","Fe-complex perchlorite","Fe-complex perchlorite","","- C20 H31.64 Cl2 Fe N10 O9.82 -","- C20 H31.633 Cl2 Fe N10 O9.8165 -","- C80 H126.532 Cl8 Fe4 N40 O39.266 -","4","2","","Brewer, Greg; Olida, Myro Joy; Schmiedekamp, Ann M.; Viragh, Carol; Zavalij, Peter Y.","A DFT computational study of spin crossover in iron(III) and iron(II) tripodal imidazole complexes. A comparison of experiment with calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5617","5629","10.1039/b607588f","","","0.71073","MoKα","","0.0365","0.0329","","","0.0739","0.0762","","","","","","0.999","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007640","13.4","0.0004","6.499","0.0002","20.314","0.0006","90","","103.447","0.002","90","","1720.58","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Fe N2 O5 -","- C19 H20 Fe N2 O5 -","- C76 H80 Fe4 N8 O20 -","4","2","","Song, Haifeng; Li, Xiaohong; Long, Yitao; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Ferrocene-modified pyrimidine nucleosides: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4696","4701","10.1039/b608077d","","","0.71073","MoKα","","0.0631","0.0482","","","0.0927","0.1022","","","","","","1.049","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007641","11.212","0.0011","11.573","0.0012","14.435","0.003","90","","106.08","0.007","90","","1799.8","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Fe N3 O4 -","- C19 H21 Fe N3 O4 -","- C76 H84 Fe4 N12 O16 -","4","2","","Song, Haifeng; Li, Xiaohong; Long, Yitao; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Ferrocene-modified pyrimidine nucleosides: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4696","4701","10.1039/b608077d","","","0.71073","MoKα","","0.0648","0.0507","","","0.1003","0.108","","","","","","1.03","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007719","11.4241","0.0018","6.137","0.001","11.8007","0.0018","90","","116.708","0.002","90","","739.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","05327","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.0446","0.0326","","","0.074","0.0811","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007721","6.6796","0.0012","15.052","0.003","11.681","0.002","90","","91.041","0.003","90","","1174.2","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","05329m","","","- C28 H21 Br Mg N4 -","- C28 H21 Br Mg N4 -","- C56 H42 Br2 Mg2 N8 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.1038","0.0809","","","0.2126","0.2355","","","","","","1.098","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007769","8.813","0.0014","15.86","0.003","11.4149","0.0018","90","","93.702","0.003","90","","1592.2","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","((L2)Cu(CH3CN))","[(L2)Cu(CH3CN)]","","- C31 H38 Cu F6 N3 -","- C31 H38 Cu F6 N3 -","- C62 H76 Cu2 F12 N6 -","2","1","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0325","0.0276","","","0.0633","0.0654","","","","","","0.983","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007810","10.5483","0.0006","12.3","0.002","12.043","0.002","90","","110.33","0.007","90","","1465.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H48 Br2 Fe N O2 P4 -","- C23 H48 Br2 Fe N O2 P4 -","- C46 H96 Br4 Fe2 N2 O4 P8 -","2","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0363","0.0264","","","0.0491","0.0514","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007813","10.9961","0.0008","12.0964","0.0007","23.0207","0.0015","90","","91.104","0.004","90","","3061.5","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H45 B2 F8 Fe N O2 P4 -","- C21 H45 B2 F8 Fe N O2 P4 -","- C84 H180 B8 F32 Fe4 N4 O8 P16 -","4","2","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0635","0.0445","","","0.0906","0.097","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007837","8.446","0.005","12.795","0.007","14.728","0.008","90","","91.892","0.014","90","","1590.7","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","(W2Se4(dmpe)2(CH3CO2))PF6","","","- C14 H35 F6 O2 P5 Se4 W2 -","- C14 H35 F6 O2 P5 Se4 W2 -","- C28 H70 F12 O4 P10 Se8 W4 -","2","1","","Algarra, Andrés G; Basallote, Manuel G.; Esther Castillo, C.; Corao, Carolina; Llusar, Rosa; Jesús Fernández-Trujillo, M; Vicent, Cristian","A combined stopped-flow, electrospray ionization mass spectrometry and (31)P NMR study on the acetic acid-mediated fragmentation of the hydroxo-chalcogenide cluster [W(3)Se(4)(OH)(3)(dmpe)(3)](+) (dmpe = 1,2-bis(dimethylphosphanyl)ethane) to yield the dinuclear [W(2)Se(2)(mu-Se)(2)(mu-CH(3)CO(2))(dmpe)(2)](+) complex.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5725","5733","10.1039/b611274a","","","0.71073","MoKα","","0.1822","0.0803","","","0.1601","0.2051","","","","","","0.975","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007893","9.2557","0.0003","7.5895","0.0003","9.8876","0.0003","90","","95.411","0.003","90","","691.47","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C32 H28 N8 O2 -","2","1","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Synthesis and coordination chemistry of an alkyne functionalised bis(pyrazolyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5567","5573","10.1039/b613311h","","","0.71073","MoKα","","0.0419","0.0359","","","0.0891","0.091","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007977","11.333","0.001","26.0777","0.001","12.6339","0.001","90","","92.771","0.001","90","","3729.4","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42 Cl2 N2 P2 Pd -","- C42 H42 Cl2 N2 P2 Pd -","- C168 H168 Cl8 N8 P8 Pd4 -","4","2","","Zijp, Eric J.; van der Vlugt, Jarl Ivar; Tooke, Duncan M.; Spek, Anthony L.; Vogt, Dieter","Chiral bidentate aminophosphine ligands: synthesis, coordination chemistry and asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2005","","3","512","517","10.1039/b414668a","","","0.71073","MoKα","","0.0279","0.0219","","","0.0428","0.0444","","","","","","1.037","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7008002","10.8376","0.0001","15.8571","0.0002","14.3424","0.0002","90","","90.2038","0.0006","90","","2464.77","0.05","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 N4 O P2 -","- C20 H42 N4 O P2 -","- C80 H168 N16 O4 P8 -","4","2","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0245","0.0237","","","0.0619","0.0626","","","","","","1.041","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008043","15.9134","0.001","19.2805","0.0013","17.3626","0.0011","90","","98.281","0.001","90","","5271.6","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H127 Cl3 Gd5 N12.5 O60.5 -","- C61 H54 Cl3 Gd5 N12.5 O60.5 -","- C122 H108 Cl6 Gd10 N25 O121 -","2","1","","Chatterton, Nicholas; Gateau, Christelle; Mazzanti, Marinella; Pécaut, Jacques; Borel, Alain; Helm, Lothar; Merbach, André","The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1129","1135","10.1039/b416150e","","","0.71073","MoKα","","0.1165","0.0788","","","0.2056","0.222","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008069","7.057","0.007","14.116","0.014","8.743","0.009","90","","112.356","0.019","90","","805.5","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H8 Cd I2 N4 O -","- C12 H8 Cd I2 N4 O -","- C24 H16 Cd2 I4 N8 O2 -","2","1","","Wang, Yong-Tao; Tong, Ming-Liang; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","Homochiral crystallization of helical coordination chains bridged by achiral ligands: can it be controlled by the ligand structure?","Dalton transactions (Cambridge, England : 2003)","2005","","3","424","426","10.1039/b416412a","","","0.71073","MoKα","","0.0359","0.0342","","","0.0872","0.089","","","","","","1.047","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008086","9.246","0.004","20.531","0.009","11.864","0.005","90","","96.985","0.008","90","","2235.4","1.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1,10-phenanthroline)(methanol)(L-methioninato)copper(II)monoperchlorate","","- C18 H22 Cl Cu N3 O7 S -","- C18 H22 Cl Cu N3 O7 S -","- C72 H88 Cl4 Cu4 N12 O28 S4 -","4","2","","Patra, Ashis K.; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Metal-assisted red light-induced DNA cleavage by ternary L-methionine copper(II) complexes of planar heterocyclic bases.","Dalton transactions (Cambridge, England : 2003)","2005","","5","896","902","10.1039/b416711b","","","0.71073","MoKα","","0.0872","0.0534","","","0.1329","0.1574","","","","","","0.947","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008167","15.18","0.003","10.722","0.002","25.921","0.005","90","","95.24","0.03","90","","4201.3","1.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H94 Cl4 Fe2 N12 O22 -","- C78 H94 Cl4 Fe2 N12 O22 -","- C156 H188 Cl8 Fe4 N24 O44 -","2","1","","Ghiladi, Morten; Larsen, Frank B.; McKenzie, Christine J.; Sotofte, Inger; Tuchagues, Jean-Pierre","2:2 Fe(III):ligand and ""adamantane core"" 4:2 Fe(III):ligand (hydr)oxo complexes of an acyclic ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1687","1692","10.1039/b418430k","","","0.71073","MoKα","","0.121","0.07","","0.1555","0.1283","","","","1.05","1.074","1.074","","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008182","5.9185","0.0014","7.9334","0.0012","11.732","0.003","90","","97.86","0.03","90","","545.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","CpNi(dmit)","","","- C8 H5 Ni S5 -","- C8 H5 Ni S5 -","- C16 H10 Ni2 S10 -","2","1","","Fourmigué, Marc; Avarvari, Narcis","A series of neutral radical CpNi(dithiolene). complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1365","1371","10.1039/b418756n","","","0.71073","MoKα","","0.0952","0.0386","","","0.058","0.0687","","","","","","0.737","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008183","6.075","0.0012","7.9798","0.0011","11.8369","0.0019","90","","97.55","0.02","90","","568.85","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","CpNi(dsit)","","","- C8 H5 Ni S3 Se2 -","- C8 H5 Ni S3 Se2 -","- C16 H10 Ni2 S6 Se4 -","2","1","","Fourmigué, Marc; Avarvari, Narcis","A series of neutral radical CpNi(dithiolene). complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1365","1371","10.1039/b418756n","","","0.71073","MoKα","","0.0669","0.0382","","","0.0743","0.0805","","","","","","0.856","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008327","10.8336","0.0006","15.9434","0.001","16.5771","0.0007","90","","104.499","0.003","90","","2772.1","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H54 Mg2 N2 -","- C26 H54 Mg2 N2 -","- C104 H216 Mg8 N8 -","4","2","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.1579","0.0864","","","0.2188","0.2672","","","","","","1.005","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008400","9.2777","0.0016","13.122","0.009","9.743","0.003","90","","97.9","0.02","90","","1174.9","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H30 N O2 P S -","- C24 H30 N O2 P S -","- C48 H60 N2 O4 P2 S2 -","2","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1075","0.0505","","","0.0968","0.1317","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008517","8.784","0.004","19.5","0.009","9.201","0.004","90","","115.34","0.01","90","","1424.4","1.1","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H5 O18 Os5 Rh -","- C18 H5 O18 Os5 Rh -","- C36 H10 O36 Os10 Rh2 -","2","1","","Lau, Jasmine Po-Kwan; Wong, Wing-Tak","Synthesis and structural characterization of a series of high-hydride content osmium-rhodium carbonyl complexes by the hydrogenation of arene-coordinated clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2579","2587","10.1039/b503833b","","","0.7107","MoKα","","","0.036","","","","0.043","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008521","6.2005","0.0003","26.1517","0.0017","8.7539","0.0005","90","","92.112","0.007","90","","1418.51","0.14","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-serinato 3-methylpyridine tricarbonyl rhenium(I)","","- C12 H13 N2 O6 Re -","- C12 H12.5 N2 O6 Re -","- C48 H50 N8 O24 Re4 -","4","2","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.1218","0.0866","","","0.2665","0.3019","","","","","","1.096","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008532","9.569","0.001","32.467","0.005","12.727","0.002","90","","96.504","0.006","90","","3928.5","1","193.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H41 B N3 O Rh S3 -","- C47 H41 B N3 O Rh S3 -","- C188 H164 B4 N12 O4 Rh4 S12 -","4","2","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.076","","","","0.1853","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008537","8.6973","0.0006","10.8436","0.0006","13.5907","0.0006","90","","94.583","0.004","90","","1277.64","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N P Zr -","- C30 H29 Cl N P Zr -","- C60 H58 Cl2 N2 P2 Zr2 -","2","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.0214","0.0205","","","0.0517","0.0526","","","","","","1.047","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008538","8.7121","0.0017","10.833","0.002","13.593","0.003","90","","94.471","0.004","90","","1279","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N P Zr -","- C30 H29 Cl N P Zr -","- C60 H58 Cl2 N2 P2 Zr2 -","2","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.0176","0.0167","","","0.044","0.0443","","","","","","1.039","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008539","8.798","0.002","9.975","0.003","19.11","0.005","90","","95.067","0.006","90","","1670.5","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H40 N P Zr -","- C41 H40 N P Zr -","- C82 H80 N2 P2 Zr2 -","2","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.061","0.04","","","0.0682","0.0767","","","","","","1.053","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008540","11.473","0.001","8.968","0.001","11.524","0.001","90","","97.43","0.02","90","","1175.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H18 Cd K2 O25 U -","- C8 H18 Cd K2 O25 U -","- C16 H36 Cd2 K4 O50 U2 -","2","1","","Imaz, Inhar; Bravic, Georges; Sutter, Jean-Pascal","Structural and zeolitic features of a series of heterometallic supramolecular porous architectures based on tetrahedral {M(C2O4)4}4- primary building units.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2681","2687","10.1039/b503964a","","","0.71073","MoKα","","0.0171","0.016","","","0.0449","0.0642","","","","","","1.207","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008570","6.7745","0.0002","8.1589","0.0002","14.3661","0.0004","90","","94.556","0.001","90","","791.54","0.04","150","","150","","","","","","","","?","7","P 1 21 1","P 2yb","4","","","","- C3 H14 F2 N2 O13 S2 U2 -","- C3 H14 F2 N2 O13 S2 U2 -","- C6 H28 F4 N4 O26 S4 U4 -","2","1","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0321","0.0314","","0.0825","0.0819","0.0819","","","","","","0.9297","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008588","18.385","0.003","17.993","0.003","21.862","0.004","90","","109.413","0.003","90","","6821","2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C121 H131 Au B3 F12 N8 O3 P Pd4 -","- C121 H131 Au B3 F12 N8 O3 P Pd4 -","- C242 H262 Au2 B6 F24 N16 O6 P2 Pd8 -","2","1","","Singh, Anupam; Sharp, Paul R.","Palladium-gold oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2080","2081","10.1039/b504808g","","","0.71073","MoKα","","0.1072","0.074","","","0.1844","0.2082","","","","","","1.058","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008724","9.5561","0.0001","16.2957","0.0002","11.0233","0.0001","90","","110.461","0.0007","90","","1608.29","0.03","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H35 Cl N3 O P Pd -","- C37 H35 Cl N3 O P Pd -","- C74 H70 Cl2 N6 O2 P2 Pd2 -","2","1","","Mota, Antonio J.; Dedieu, Alain; Kuhn, Pierre; Matt, Dominique; Welter, Richard; Neuburger, Markus","Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3155","3160","10.1039/b506352n","","","0.71073","MoKα","","0.0265","0.0236","","0.0281","0.0254","0.0254","","","","","","1.0672","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008784","28.9","0.015","23.14","0.011","32.715","0.016","90","","101.917","0.009","90","","21407","18","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C324 H268 Cl8 N13 O24 P12 Rh12 -","- C324 H260 Cl8 N13 O24 P12 Rh12 -","- C648 H520 Cl16 N26 O48 P24 Rh24 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin","Deliberate synthesis of the preselected enantiomer of an enantiorigid molecule with pure rotational symmetry T.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3161","3165","10.1039/b507998e","","","0.71073","MoKα","","0.2454","0.1858","","","0.4223","0.4582","","","","","","1.467","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008789","10.029","0.004","11.899","0.003","17.761","0.005","90","","103.217","0.016","90","","2063.4","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 N4 P2 Pd S2 -","- C38 H44 N4 P2 Pd S2 -","- C76 H88 N8 P4 Pd2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0346","0.031","","","0.0783","0.0812","","","","","","1.058","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008952","9.1666","0.0003","11.173","0.0004","13.5041","0.0004","90","","100.144","0.001","90","","1361.45","0.08","293","2","293","2","","","","","","","-","8","P 1 21 1","P 2yb","4","","","","- C19 H35 Cl2 N O P2 S2 Te -","- C19 H35 Cl2 N O P2 S2 Te -","- C38 H70 Cl4 N2 O2 P4 S4 Te2 -","2","1","","Birdsall, David J.; Novosad, Josef; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and crystal structures of tellurium complexes containing imidophosphinate ligands","Journal of the Chemical Society, Dalton Transactions","2000","","4","435","","10.1039/a907336a","","","0.71073","MoKα","","0.0258","0.0232","","0.0758","0.0599","","","","1.055","1.052","1.052","","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7009086","10.692","0.004","10.746","0.004","15.212","0.004","90","","98.56","0.02","90","","1728.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H41 Fe2 N O9 -","- C36 H41 Fe2 N O9 -","- C72 H82 Fe4 N2 O18 -","2","1","","Kerr, Joy L.; Landells, John S.; Larsen, David S.; Robinson, Brian H.; Simpson, Jim","Synthesis and structure of N-ferrocenylglycosylamines; redox chemistry of O-ferrocenylglycosides † and N-ferrocenylglycosylamines","Journal of the Chemical Society, Dalton Transactions","2000","","9","1411","","10.1039/a908513k","","","0.71073","MoKα","","0.0682","0.0433","","","0.094","0.106","","","","","","0.985","","","","has coordinates,has disorder","179794","2020-10-21","18:00:00",""
"7009183","13.1768","0.0021","7.7443","0.0007","21.4713","0.0016","90","","105.38","0.01","90","","2112.6","0.4","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C100 H108 N12 O4 -","4","2","","Baum, Gerhard; Constable, Edwin C.; Fenske, Dieter; Housecroft, Catherine E.; Kulke, Torsten; Neuburger, Markus; Zehnder, Margareta","Regio- and diastereo-selective formation of dicopper(I) and disilver(I) double helicates with chiral 6-substituted 2,2'∶6',2″-terpyridines","Journal of the Chemical Society, Dalton Transactions","2000","","6","945","","10.1039/a909158k","","","1.5418","CuKα","","","0.0651","","","0.0786","","","","","0.8879","0.8879","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009184","13.19","0.002","7.75","0.001","21.469","0.001","90","","105.39","0.007","90","","2115.9","0.4","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C100 H108 N12 O4 -","4","2","","Baum, Gerhard; Constable, Edwin C.; Fenske, Dieter; Housecroft, Catherine E.; Kulke, Torsten; Neuburger, Markus; Zehnder, Margareta","Regio- and diastereo-selective formation of dicopper(I) and disilver(I) double helicates with chiral 6-substituted 2,2'∶6',2″-terpyridines","Journal of the Chemical Society, Dalton Transactions","2000","","6","945","","10.1039/a909158k","","","1.5418","CuKα","","","0.0544","","","0.0652","","","","","0.758","0.758","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009185","6.929","0.002","10.696","0.001","29.978","0.004","90","","92.81","0.01","90","","2219.1","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C104 H116 N12 O4 -","4","2","","Baum, Gerhard; Constable, Edwin C.; Fenske, Dieter; Housecroft, Catherine E.; Kulke, Torsten; Neuburger, Markus; Zehnder, Margareta","Regio- and diastereo-selective formation of dicopper(I) and disilver(I) double helicates with chiral 6-substituted 2,2'∶6',2″-terpyridines","Journal of the Chemical Society, Dalton Transactions","2000","","6","945","","10.1039/a909158k","","","1.5418","CuKα","","","0.0469","","","0.0552","","","","","0.8702","0.8702","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7009264","7.9677","0.0001","16.8612","0.0001","10.8686","0.0001","90","","111.07","","90","","1362.52","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H10 O10 Os3 Te2 -","- C22 H10 O10 Os3 Te2 -","- C44 H20 O20 Os6 Te4 -","2","1","","Zhang, Junlian; Leong, Weng Kee","The reaction of diphenyl ditelluride with triosmium clusters","Journal of the Chemical Society, Dalton Transactions","2000","","8","1249","","10.1039/a909628k","","","0.71073","MoKα","","0.0427","0.0409","","","0.1081","0.1103","","","","","","1.05","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009314","9.564","0.002","5.416","0.002","12.867","0.002","90","","109.34","0.01","90","","628.9","0.3","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 Ag2 O8 -","- C10 H10 Ag2 O8 -","- C20 H20 Ag4 O16 -","2","1","","Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke","Synthesis and crystal structure of three silver(I) complexes with (S )-(+)-5-oxo-2-tetrahydrofurancarboxylic acid (S-Hothf ) and its isomeric forms (R-Hothf and R,S-Hothf ) showing wide spectra of effective antibacterial and antifungal activities. Chiral helical polymers in the solid state formed by self-assembly of the dimeric [Ag(othf )]2 cores","Journal of the Chemical Society, Dalton Transactions","2000","","8","1343","","10.1039/a910251p","","","0.7107","MoKα","","0.0295","0.029","","0.019","","0.019","","","1.317","","","1.32","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009315","9.56","0.002","5.417","0.002","12.858","0.002","90","","109.37","0.01","90","","628.2","0.3","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 Ag2 O8 -","- C10 H10 Ag2 O8 -","- C20 H20 Ag4 O16 -","2","1","","Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke","Synthesis and crystal structure of three silver(I) complexes with (S )-(+)-5-oxo-2-tetrahydrofurancarboxylic acid (S-Hothf ) and its isomeric forms (R-Hothf and R,S-Hothf ) showing wide spectra of effective antibacterial and antifungal activities. Chiral helical polymers in the solid state formed by self-assembly of the dimeric [Ag(othf )]2 cores","Journal of the Chemical Society, Dalton Transactions","2000","","8","1343","","10.1039/a910251p","","","0.7107","MoKα","","0.0357","0.036","","0.026","","0.026","","","1.256","","","1.26","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009411","9.0295","0.0002","12.6622","0.0004","10.534","0.0003","90","","96.161","0.002","90","","1197.43","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H39 Li N4 -","- C24 H39 Li N4 -","- C48 H78 Li2 N8 -","2","1","","Andrews, Philip C.; Duggan, Peter J.; Fallon, Gary D.; McCarthy, Tom D.; Peatt, Anna C.","Solid state structures of the chiral lithium amide complexes (S )-[(Ph(Me)CH)(PhCH2)NLi·thf]2 and (R)-[(Ph(Me)CH)(PhCH2)NLi·pmdta] †","Journal of the Chemical Society, Dalton Transactions","2000","","12","1937","","10.1039/b000747l","","","0.71073","MoKα","","0.0964","0.0776","","","0.1734","0.1877","","","","","","1.089","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009436","8.7545","0.0008","17.979","0.003","14.108","0.0009","90","","103.527","0.008","90","","2159","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H41 Cl6 N5 O4 P2 Pt -","- C24 H39 Cl6 N5 O4 P2 Pt -","- C48 H78 Cl12 N10 O8 P4 Pt2 -","2","1","","Xu, Xingling; James, Stuart L.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J.","Platinum(II) phosphine and orotate complexes with aminopyridine co-ligands, and their molecular recognition via hydrogen bonding †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3783","","10.1039/b000974l","","","1.54178","CuKα","","0.1147","0.0881","","0.2943","0.1415","","","","1.001","1.096","1.096","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009576","7.302","0.001","15.216","0.001","8.925","0.001","90","","104.86","0.01","90","","958.47","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ni(edda)(H2O)]xH2O","","","- C18 H30 N2 Ni O6 -","- C18 H26 N2 Ni O6 -","- C36 H52 N4 Ni2 O12 -","2","1","","Pennemann, Helmut; Wassmann, Suzanne; Wilken, Jörg; Gröger, Harald; Wallbaum, Sabine; Kossenjans, Michael; Haase, Detlev; Saak, Wolfgang; Pohl, Siegfried; Martens, Jürgen","Preparation of an enantiomerically pure helical nickel(II) complex using a new chiral tetradentate ligand derived from an industrial waste material †","Journal of the Chemical Society, Dalton Transactions","2000","","14","2467","","10.1039/b002130j","","","0.71073","MoKα","","0.0361","0.0349","","","0.091","0.0919","","","","","","1.067","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009607","9.362","0.006","12.142","0.009","11.356","0.003","90","","99.67","0.03","90","","1272.5","1.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 Bi2 Cl6 Se4 -","- C12 H24 Bi2 Cl6 Se4 -","- C24 H48 Bi4 Cl12 Se8 -","2","1","","Barton, Andrew J.; Genge, Anthony R. J.; Levason, William; Reid, Gillian","Synthesis and structures of one-dimensional co-ordination polymers derived from bismuth(III) selenoether macrocyclic complexes","Journal of the Chemical Society, Dalton Transactions","2000","","13","2163","","10.1039/b002287j","","","0.71073","MoKalpha","","","0.0432","","","0.0551","","","","","1.855","1.855","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009614","11.063","0.007","15.445","0.005","15.11","0.004","90","","111.57","0.04","90","","2401","1.9","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O8 Ru2 -","- C20 H20 N2 O8 Ru2 -","- C80 H80 N8 O32 Ru8 -","4","2","","Kepert, Christopher M.; Deacon, Glen B.; Spiccia, Leone; Fallon, Gary D.; Skelton, Brian W.; White, Allan H.","A facile and benign synthesis of binuclear ruthenium(I) “sawhorse” complexes","Journal of the Chemical Society, Dalton Transactions","2000","","16","2867","","10.1039/b002304n","","","0.71073","Mo-Kα","","0.063","0.051","","0.068","","0.058","","","1.299","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009682","8.74","0.008","15.318","0.002","11.285","0.004","90","","105.34","0.04","90","","1457","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl2 N4 O2 Zn2 -","- C30 H34 Cl2 N4 O2 Zn2 -","- C60 H68 Cl4 N8 O4 Zn4 -","2","1","","Korupoju, Srinivas R.; Mangayarkarasi, Nagarathinam; Ameerunisha, Sardar; Valente, Edward J.; Zacharias, Panthappally S.","Formation of dinuclear macrocyclic and mononuclear acyclic complexes of a new trinucleating hexaaza triphenolic Schiff base macrocycle: structure and NLO properties","Journal of the Chemical Society, Dalton Transactions","2000","","16","2845","","10.1039/b002700f","","","0.71073","MoKα","","0.0461","0.032","","","0.0728","0.0804","","","","","","1.07","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009684","9","0.03","19.014","0.004","11.518","0.004","90","","106.33","0.12","90","","1892","6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl2 N5 Ni2 O11 -","- C33 H40 Cl2 N5 Ni2 O11 -","- C66 H80 Cl4 N10 Ni4 O22 -","2","1","","Korupoju, Srinivas R.; Mangayarkarasi, Nagarathinam; Ameerunisha, Sardar; Valente, Edward J.; Zacharias, Panthappally S.","Formation of dinuclear macrocyclic and mononuclear acyclic complexes of a new trinucleating hexaaza triphenolic Schiff base macrocycle: structure and NLO properties","Journal of the Chemical Society, Dalton Transactions","2000","","16","2845","","10.1039/b002700f","","","0.71073","MoKα","","0.0694","0.0607","","","0.1703","0.1831","","","","","","1.101","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009695","6.365","0.001","7.186","0.002","17.816","0.003","90","","94.04","0.01","90","","812.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H24 N Na2 O14 P -","- C3 H24 N Na2 O14 P -","- C6 H48 N2 Na4 O28 P2 -","2","1","","Sagatys, Dalius S.; Dahlgren, Cathrine; Smith, Graham; Bott, Raymond C.; White, Jonathan M.","The complex chemistry of N-(phosphonomethyl)glycine (glyphosate): preparation and characterization of the ammonium, lithium, sodium (4 polymorphs) and silver(I) complexes","Journal of the Chemical Society, Dalton Transactions","2000","","19","3404","","10.1039/b002748k","","","0.71069","MoKα","","0.0266","0.024","","","0.0624","0.064","","","","","","1.013","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009817","9.3371","0.0004","20.885","0.001","16.444","0.001","90","","94.534","0.007","90","","3196.6","0.3","293","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H54 Ga P3 Si3 -","- C22 H54 Ga P3 Si3 -","- C88 H216 Ga4 P12 Si12 -","4","2","","Uhl, Werner; Benter, Maike","Formation of a gallium triphosphorus heterocycle by reaction of the alkylgallium(I) compound Ga4[C(SiMe3)3]4 with tri(tert-butyl)cyclotriphosphane","Journal of the Chemical Society, Dalton Transactions","2000","","18","3133","","10.1039/b003760p","","","0.71073","MoKα","","0.0278","0.0243","","","0.0666","0.07","","","","","","0.574","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009836","9.284","0.003","13.369","0.005","13.437","0.004","90","","106.44","0.03","90","","1599.6","1","296.2","","296.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H35 As4 Cl3 Co F6 P -","- C23 H35 As4 Cl3 Co F6 P -","- C46 H70 As8 Cl6 Co2 F12 P2 -","2","1","","Doyle, Roy J.; Habermehl, Nicole; Salem, Geoffrey; Willis, Anthony C.","Synthesis of chiral multidentate tertiary arsines with As4 or As6 donor atoms","Journal of the Chemical Society, Dalton Transactions","2000","","20","3603","","10.1039/b003981k","","","0.7107","MoKα","","0.0673","0.0527","","0.0606","","0.0584","","","2.048","","","2.24","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009866","13.0798","0.0003","11.432","0.0003","13.2985","0.0004","90","","106.394","0.001","90","","1907.66","0.09","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H43 Cl2 F3 O3 P2 Pd S -","- C35 H43 Cl2 F3 O3 P2 Pd S -","- C70 H86 Cl4 F6 O6 P4 Pd2 S2 -","2","1","","Drago, Daniela; Pregosin, Paul S.","Allyl, olefin, aryl and alkyl organometallic palladium complexes of 1,2-bis[(2R,5R)-2,5-dimethylphospholanyl]benzene","Journal of the Chemical Society, Dalton Transactions","2000","","18","3191","","10.1039/b004148n","","","0.71073","MoKα","","0.1441","0.0546","","","0.1055","0.1284","","","","","","0.822","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009869","9.6979","0.0006","15.3561","0.0009","9.9489","0.0006","90","","115.894","0.001","90","","1332.86","0.14","143","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 I3 N5 U -","- C23 H23 I3 N5 U -","- C46 H46 I6 N10 U2 -","2","1","","Wietzke, Raphaël; Mazzanti, Marinella; Latour, Jean-Marc; Pécaut, Jacques","Solution and solid state structures of uranium(III) and lanthanum(III) iodide complexes of tetradentate tripodal neutral N-donor ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","22","4167","","10.1039/b004179n","","","0.71073","MoKα","","0.0438","0.0425","","","0.1091","0.11","","","","","","1.034","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009870","9.718","0.0005","15.3889","0.0008","9.9741","0.0005","90","","115.826","0.001","90","","1342.64","0.12","143","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 I3 La N5 -","- C23 H23 I3 La N5 -","- C46 H46 I6 La2 N10 -","2","1","","Wietzke, Raphaël; Mazzanti, Marinella; Latour, Jean-Marc; Pécaut, Jacques","Solution and solid state structures of uranium(III) and lanthanum(III) iodide complexes of tetradentate tripodal neutral N-donor ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","22","4167","","10.1039/b004179n","","","0.71073","MoKα","","0.0396","0.0388","","","0.1037","0.1043","","","","","","1.041","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009890","9.312","0.002","7.317","0.003","10.741","0.004","90","","94.38","0.02","90","","729.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tricarbonyl(benzothiazole-2-carbodithiomethylester)Fe(0)","","- C12 H7 Fe N O3 S3 -","- C12 H7 Fe N O3 S3 -","- C24 H14 Fe2 N2 O6 S6 -","2","1","","Helgard G. Raubenheimer; Eugene K. Marais; Stephanie Cronje; Catharine Esterhuysen (neé Thompson); Gert J. Kruger","Synthesis and crystallographic characterization of thiazole-2-dithiocarboxylate methyl ester complexes of chromium, tungsten and iron carbonyls","J. Chem. Soc., Dalton Trans.","2000","","17","3016","3021","10.1039/b004251j","","","0.71069","MoKα","","","0.034","","","0.031","","","","1.073","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009898","8.052","0.002","17.781","0.006","10.304","0.003","90","","112.36","0.02","90","","1364.3","0.7","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 Cl N O Sn -","- C28 H38 Cl N O Sn -","- C56 H76 Cl2 N2 O2 Sn2 -","2","1","","Dakternieks, Dainis; Dunn, Kerri; Schiesser, Carl H.; Tiekink, Edward R. T.","Synthesis of chiral organotin hydrides containing menthyl and oxazoline substituents†","Journal of the Chemical Society, Dalton Transactions","2000","","20","3693","","10.1039/b004259p","","","0.7107","MoKα","","","0.035","","","","0.043","","","","","","2.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009961","5.012","0.001","6.738","0.001","13.748","0.004","90","","97.31","0.01","90","","460.51","0.18","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H14 O6 -","- C8 H14 O6 -","- C16 H28 O12 -","2","1","","Sah, Ajay K.; Rao, Chebrolu P.; Saarenketo, Pauli K.; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","N-Glycosylamines of 4,6-O-ethylidene-α-D-glucopyranose: synthesis, characterisation and structure of CO2H, Cl and F ortho-substituted phenyl derivatives and metal ion complexes of the CO2H derivative†","Journal of the Chemical Society, Dalton Transactions","2000","","20","3681","","10.1039/b004854m","","","0.71073","MoKα","","0.1052","0.0559","","0.1323","0.1142","","","","1.032","1.181","1.181","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010004","7.314","0.002","20.573","0.002","12.094","0.002","90","","104.575","0.008","90","","1761.2","0.6","294","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl2 Cu N7 O3 -","- C43 H46 Cl2 Cu N7 O4 -","- C86 H92 Cl4 Cu2 N14 O8 -","2","1","","Zhixuan (Jack) Chen; Natasha Karasek; Donald C. Craig; Stephen B. Colbran","Copper(II/I) complexes of a bulky tris(pyrazolylmethyl)amine ligand","J. Chem. Soc., Dalton Trans.","2000","","19","3445","3452","10.1039/b005081o","","","1.54184","CuKα","","","0.033","","","","0.043","","","","","","1.39","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010019","8.7526","0.0019","8.7892","0.0019","19.381","0.005","90","","92.334","0.014","90","","1489.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[1,3-di{pyridin-2-yl}pyrazole]copper(II) diperchlorate","","- C26 H20 Cl2 Cu N8 O8 -","- C28 H20 Cl2 Cu N6 O8 -","- C56 H40 Cl4 Cu2 N12 O16 -","2","1","","Holland, Joanne M.; Liu, Xiaoming; Zhao, Jing P.; Mabbs, Frank E.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Copper complexes of 2,6-bis(iminomethyl)pyridine derivatives and of 1,3-bis(pyridin-2-yl)pyrazole. Effects of ligand bulk and conformational strain on the ground state of a six-co-ordinate copper(II) ion","Journal of the Chemical Society, Dalton Transactions","2000","","19","3316","","10.1039/b005105p","","","0.71073","MoKα","","0.1249","0.0892","","","0.2276","0.2601","","","","","","1.066","","","","has coordinates,has disorder","179804","2020-10-21","18:00:00",""
"7010091","8.8881","0.0003","11.4278","0.0005","10.3472","0.0005","90","","109.373","0.002","90","","991.47","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","[AlCl2{Me3SiNC(Ph)N(CH2)3NMe2}]","","","- C15 H26 Al Cl2 N3 Si -","- C15 H26 Al Cl2 N3 Si -","- C30 H52 Al2 Cl4 N6 Si2 -","2","1","","David Doyle; Yurii K. Gun'ko; Peter B. Hitchcock; Michael F. Lappert","Synthesis and structures of lithium, aluminium, gallium and lanthanide amidinates containing a γ-pendant amine functionality","J. Chem. Soc., Dalton Trans.","2000","","22","4093","4097","10.1039/b005824f","","x-ray","0.71073","MoKα","","0.0319","0.0291","","","0.0736","0.0753","","","","","","1.048","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010092","8.8921","0.0002","11.4453","0.0003","10.4095","0.0003","90","","109.221","0.002","90","","1000.35","0.05","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","[GaCl2(Me3SiNCPhNCH2CH2CH2NMe2)]","","","- C15 H26 Cl2 Ga N3 Si -","- C15 H26 Cl2 Ga N3 Si -","- C30 H52 Cl4 Ga2 N6 Si2 -","2","1","","David Doyle; Yurii K. Gun'ko; Peter B. Hitchcock; Michael F. Lappert","Synthesis and structures of lithium, aluminium, gallium and lanthanide amidinates containing a γ-pendant amine functionality","J. Chem. Soc., Dalton Trans.","2000","","22","4093","4097","10.1039/b005824f","","x-ray","0.71073","MoKα","","0.0239","0.0231","","","0.0564","0.0568","","","","","","1.08","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010118","15.379","0.003","11.402","0.002","23.776","0.005","90","","100.94","0.03","90","","4093.4","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42.5 Cl5 N2 O P Pt -","- C38 H42.5 Cl5 N2 O P Pt -","- C152 H170 Cl20 N8 O4 P4 Pt4 -","4","2","","Kuznetsov, Maxim L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.; Pakkanen, Tapani; Wagner, Gabriele; Pombeiro, Armando J. L.","Metal-assisted coupling of oximes and nitriles: a synthetic, structural and theoretical study","Journal of the Chemical Society, Dalton Transactions","2000","","24","4683","","10.1039/b006168i","","","0.71073","MoKα","","0.0436","0.0436","","","0.1185","0.1185","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010155","5.196","0.001","12.74","0.003","9.716","0.002","90","","94.82","0.003","90","","640.9","0.2","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 Ag2 N2 O6 -","- C10 H12 Ag2 N2 O6 -","- C20 H24 Ag4 N4 O12 -","2","1","","Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke","Water-soluble silver(I) complexes of (R)-(+)- and (S )-(−)-2-pyrrolidone-5-carboxylic acid and their antimicrobial activities. Chiral helical polymer and polymer sheet structures in the solid-state formed by self-assembly of dimeric [Ag(Hpyrrld)]2 cores","Journal of the Chemical Society, Dalton Transactions","2000","","23","4369","","10.1039/b006552h","","","0.7107","MoKα","","0.0497","0.05","","0.069","","0.069","","","1.216","","","1.22","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010182","9.1216","0.0014","41.242","0.008","9.3324","0.0012","90","","117.221","0.011","90","","3122","0.9","122","1","122","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H62 O3 P4 S4 -","- C74 H62 O3 P4 S4 -","- C148 H124 O6 P8 S8 -","2","1","","Ólafsson, Sigurjón Norberg; Flensburg, Claus; Andersen, Peter","Lead(IV) complexes with phosphinoyldithioformates, R2P(O)CS2− (R = Ph or PhCH2). Syntheses and characterization. Crystal structures of [PPh4][S2CP(O)Ph2]·0.5H2O, [PbPh2{S2CP(O)Ph2}2] and [PbPh2Cl{S2CP(O)Ph2}]","Journal of the Chemical Society, Dalton Transactions","2000","","23","4360","","10.1039/b006672i","","","1.5418","CuKα","","0.0303","0.0294","","","0.0731","0.0735","","","","","","1.887","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010190","9.213","0.005","15.832","0.008","11.821","0.006","90","","106.31","0.02","90","","1654.8","1.5","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(mu2-hydrido)(tri(phenyl)phosphine)bis(mu2-carbonyl)(octacarbonyl) tri-osmium(cyclopentadienyl)ruthenium","","- C33 H21 O10 Os3 P Ru -","- C33 H21 O10 Os3 P Ru -","- C66 H42 O20 Os6 P2 Ru2 -","2","1","","Buntem, Radchada; Gallagher, John F.; Lewis, Jack; Raithby, Paul R.; Rennie, Moira-Ann; Shields, Gregory P.","Use of the monocationic fragment [Ru(η5-C5H5)(MeCN)3]+ as an ionic coupling reagent in the synthesis of mixed-metal phosphine clusters †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4297","","10.1039/b006746f","","","0.71073","MoKα","","0.0333","0.0332","","0.089","0.0889","","","","1.043","1.044","1.044","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010191","8.878","0.004","22.669","0.017","9.415","0.004","90","","114.06","0.04","90","","1730.2","1.8","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H21 O11 Os3 P Ru -","- C34 H21 O11 Os3 P Ru -","- C68 H42 O22 Os6 P2 Ru2 -","2","1","","Buntem, Radchada; Gallagher, John F.; Lewis, Jack; Raithby, Paul R.; Rennie, Moira-Ann; Shields, Gregory P.","Use of the monocationic fragment [Ru(η5-C5H5)(MeCN)3]+ as an ionic coupling reagent in the synthesis of mixed-metal phosphine clusters †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4297","","10.1039/b006746f","","","0.71073","MoKα","","0.0494","0.0462","","0.108","0.1055","","","","1.175","1.178","1.178","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010241","12.269","0.0005","13.41","0.0006","12.429","0.0004","90","","95.998","0.002","90","","2033.71","0.14","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","[Al2(L-4)2Me4]","","- C34 H76 Al2 N6 O2 -","- C34 H76 Al2 N6 O2 -","- C68 H152 Al4 N12 O4 -","2","1","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71073","MoKα","","0.0726","0.0691","","0.174","0.1677","","","","1.298","1.311","1.311","","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010252","14.826","0.003","13.285","0.002","17.139","0.002","90","","105.537","0.008","90","","3252.4","0.9","296.2","","296.2","","","","","","","","Prepared from YbCl~3~.6H~2~O, KHBpz~3~ (2 eq.) and 2-phenylbutyric acid in a mixture of ethanol and water containing KOH, recrystallized from a mixture of dichloromethane and hexane.","6","P 1 21 1","P 2yb","4","[Yb(HBpz~3~)~2~(S-pba)]","","","- C28 H31 B2 N12 O2 Yb -","- C28 H31 B2 N12 O2 Yb -","- C112 H124 B8 N48 O8 Yb4 -","4","2","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Stereospecific assembly of chiral Λ-Cr(III)-Δ-Ln(III)-oxalato-bridged dinuclear 3d‒4f complexes (Ln = Yb or Dy) and near infrared circular dichroism in the 4f→4f transitions","Journal of the Chemical Society, Dalton Transactions","2001","","4","492","","10.1039/b007369p","","","0.7107","MoKα","","0.0547","0.0276","","","0.0548","0.0605","","","","","","1.113","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010271","8.889","0.001","13.207","0.001","16.911","0.001","90","","100.51","0.01","90","","1952","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N,N-diethyl-N'-(-)-(1R)-menthyloxycarbonylthiourea","","- C16 H30 N2 O2 S -","- C16 H30 N2 O2 S -","- C64 H120 N8 O8 S4 -","4","2","","Sacht, Cheryl; Datt, Michael S.; Otto, Stefanus; Roodt, Andreas","Synthesis, characterisation and coordination chemistry of novel chiral N,N-dialkyl-N '-menthyloxycarbonylthioureas. Crystal and molecular structures of N,N-diethyl-N '-(−)-(3R)-menthyloxycarbonylthiourea and cis-(S,S)-[Pt(L)Cl(DMSO)] [where HL = N-(+)-(3R)-menthyloxycarbonyl-N'-morpholinothiourea or N-benzoyl-N',N'-diethylthiourea]","Journal of the Chemical Society, Dalton Transactions","2000","","24","4579","","10.1039/b007589m","","","0.71073","MoKα","","0.0393","0.0385","","","0.0925","0.0938","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010349","9.7999","0.0003","16.6069","0.0005","11.5815","0.0003","90","","109.345","","90","","1778.42","0.09","112","2","112","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H58 Mg N2 O2 -","- C37 H58 Mg N2 O2 -","- C74 H116 Mg2 N4 O4 -","2","1","","Chisholm, Malcolm H.; Huffman, John C.; Phomphrai, Khamphee","Monomeric metal alkoxides and trialkyl siloxides: (BDI)Mg(OtBu)(THF ) and (BDI)Zn(OSiPh3)(THF ). Comments on single site catalysts for ring-opening polymerization of lactides †","Journal of the Chemical Society, Dalton Transactions","2001","","3","222","","10.1039/b008158m","","","0.71073","MoKα","","","0.0327","","","","0.0327","","","","","","0.6332","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7010360","10.484","0.0002","34.061","0.0007","12.962","0.0002","90","","112.67","0.003","90","","4271.06","0.17","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H58 O4 P2 Pd -","- C48 H56 O4 P2 Pd -","- C192 H224 O16 P8 Pd4 -","4","2","","Mattheis, Chris; Braunstein, Pierre; Fischer, Axel","A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","800","","10.1039/b008227i","","","0.71073","Mo-Kα","","0.037","0.029","","0.222","","0.035","","","6.686","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010362","9.582","0.008","12.547","0.001","18.959","0.016","90","","97.67","0.01","90","","2259","3","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H58 O2 P2 Zr -","- C54 H58 O2 P2 Zr -","- C108 H116 O4 P4 Zr2 -","2","1","","Mattheis, Chris; Braunstein, Pierre; Fischer, Axel","A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","800","","10.1039/b008227i","","","0.71073","MoKα","","0.0559","0.0368","","","0.0523","0.0559","","","","","","0.861","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010395","8.368","0.001","24.884","0.004","8.508","0.001","90","","114.917","0.003","90","","1606.7","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H22 Cl2 Cu N4 O8 -","- C8 H22 Cl2 Cu N4 O8 -","- C32 H88 Cl8 Cu4 N16 O32 -","4","2","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.069","0.042","","0.045","","0.041","","","0.941","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010452","6.9816","0.0013","14.712","0.003","14.746","0.003","90","","90.35","0.02","90","","1514.6","0.5","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H36 Cu2 N14 O9 -","- C20 H36 Cu2 N14 O9 -","- C40 H72 Cu4 N28 O18 -","2","1","","Fabre, Paul-Louis; Galibert, Anne Marie; Soula, Brigitte; Dahan, Françoise; Castan, Paule","Complexation of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion with copper. Crystal structures and spectroscopic data of copper-(I) and -(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","9","1529","","10.1039/b009239h","","","0.71073","MoKα","","0.0288","0.0281","","","0.0551","0.0552","","","","","","1.035","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010489","10.3931","0.0001","13.8309","0.0002","11.7253","0.0001","90","","105.971","0.001","90","","1620.41","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5","","- C36 H34 N4 P2 Si -","- C36 H34 N4 P2 Si -","- C72 H68 N8 P4 Si2 -","2","1","","Aucott, Stephen M.; Clarke, Matthew L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and co-ordination chemistry of a novel multifunctional bis-phosphine containing a P‒N‒Si‒N‒P backbone","Journal of the Chemical Society, Dalton Transactions","2001","","7","972","","10.1039/b009722p","","","0.71073","MoKα","","0.0275","0.0237","","0.0607","0.0582","","","","0.967","0.989","0.989","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010499","11.287","0.0007","10.705","0.001","12.556","0.0011","90","","96.282","0.006","90","","1508","0.2","150","","","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C26 H39 Cl3 N5 Ta -","- C26 H39 Cl3 N5 Ta -","- C52 H78 Cl6 N10 Ta2 -","2","1","","Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.","Synthesis and catalytic properties of oxalic amidinato complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1761","","10.1039/b010017j","","","0.71073","MoKα","","","0.0463","","","","0.0382","","","","","","0.8379","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010596","10.919","0.006","25.859","0.009","14.502","0.009","90","","108.13","0.05","90","","3891","4","298.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H80 F12 N4 O P4 Pd2 -","- C79 H80 F12 N4 O P4 Pd2 -","- C158 H160 F24 N8 O2 P8 Pd4 -","2","1","","Yamamoto, Yasuhiro; Fukui, Yasushi; Matsubara, Katsuaki; Takeshima, Hiroya; Miyauchi, Fumiyoshi; Tanase, Tomoaki; Yamamoto, Gaku","Preparation and characterization of palladium and platinum complexes bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene","Journal of the Chemical Society, Dalton Transactions","2001","","11","1773","","10.1039/b100860i","","","0.7107","MoKα","","","0.1012","","","","0.2307","","","","","","1.335","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010597","11.06","0.05","25.823","0.01","14.292","0.01","90","0.05","108.1","0.1","90","0.1","3880","18","300.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H74 F12 N4 P4 Pt2 -","- C76 H74 F12 N4 P4 Pt2 -","- C152 H148 F24 N8 P8 Pt4 -","2","1","","Yamamoto, Yasuhiro; Fukui, Yasushi; Matsubara, Katsuaki; Takeshima, Hiroya; Miyauchi, Fumiyoshi; Tanase, Tomoaki; Yamamoto, Gaku","Preparation and characterization of palladium and platinum complexes bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene","Journal of the Chemical Society, Dalton Transactions","2001","","11","1773","","10.1039/b100860i","","","0.7107","MoKα","","","0.0778","","","","0.1671","","","","","","1.402","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010616","8.982","0.002","13.436","0.002","13.797","0.002","90","","102.87","0.01","90","","1623.2","0.5","296.2","","296.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H33 Cl F6 N P3 Pd -","- C29 H33 Cl F6 N P3 Pd -","- C58 H66 Cl2 F12 N2 P6 Pd2 -","2","1","","Chatterjee, Swarup; George, Mark D.; Salem, Geoffrey; Willis, Anthony C.","Optically active asymmetric di(tertiary phosphines). Crystal and molecular structure of [SP-4-3-(SP,S )]-{1-[(2-chlorophenyl)methylphosphino]-2-(dimethylphosphino)benzene-P,P ' }{1-[1-(dimethylamino)ethyl]naphthyl-C 2,N }palladium(II) hexafluorophosphate","Journal of the Chemical Society, Dalton Transactions","2001","","12","1890","","10.1039/b101182k","","","0.7107","MoKα","","0.0549","0.0311","","0.0282","","0.026","","","1.418","","","1.515","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010621","6.922","0.005","18.364","0.01","11.729","0.01","90","","101.91","0.06","90","","1458.8","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 F12 N4 Ni P2 -","- C26 H30 F12 N4 Ni P2 -","- C52 H60 F24 N8 Ni2 P4 -","2","1","","Di Casa, Michela; Fabbrizzi, Luigi; Licchelli, Maurizio; Poggi, Antonio; Sacchi, Donata; Zema, Michele","A novel fluorescence redox switch based on the formal NiII/NiI couple †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1671","","10.1039/b101310f","","","0.71073","MoKα","","0.2961","0.102","","","0.2292","0.316","","","","","","0.844","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010626","11.38","0.002","26.899","0.005","11.468","0.002","90","","96.382","0.003","90","","3488.7","1.1","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H106 N6 O8 -","- C72.012 H106 N6 O8.005 -","- C144.024 H212 N12 O16.01 -","2","1","","Arvin Moser; Glenn P. A. Yap; Christian Detellier","Concurrent insertion of cationic guest and solvent molecules in molecular receptors. Co-complexation of the sodium cation and acetonitrile by a calix[4]arene tetra-acetamide","J. Chem. Soc., Dalton Trans.","2002","","3","428","434","10.1039/b101322j","","","0.71073","MoKα","","0.1258","0.109","","","0.2855","0.2963","","","","","","1.055","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00",""
"7010798","9.078","0.002","11.772","0.003","13.628","0.004","90","","109.12","0.02","90","","1376","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 N6 P2 Pd -","- C24 H36 N6 P2 Pd -","- C48 H72 N12 P4 Pd2 -","2","1","","Yong-Joo Kim; Yong-Su Kwak; Young-Seon Joo; Soon-W. Lee","Reactions of palladium(II) and platinum(II) bis(azido) complexes with isocyanides: synthesis and structural characterization of palladium(II) and platinum(II) complexes containing carbodiimido (or bis(carbodiimido)) and bis(tetrazolato) ligands","J. Chem. Soc., Dalton Trans.","2002","","2","144","151","10.1039/b103916b","","","0.71073","MoKα","","0.0285","0.0275","","","0.0724","0.0734","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010824","13.439","0.006","23.913","0.011","17.169","0.008","90","","90.84","0.03","90","","5517","4","223","2","223","2","","","","","","","","9","P 1 21 1","P 2yb","4","","[(SRu, RC, Spl)-chloro-(eta$6!-p-cymene)-(2-(1-N,N-dimethylaminoethyl)- 1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] tetraphenylborate acetone diethylether solvate","","- C63.5 H70 B Cl Fe N O P Ru -","- C63.5 H70 B Cl Fe N O P Ru -","- C254 H280 B4 Cl4 Fe4 N4 O4 P4 Ru4 -","4","2","","Standfest-Hauser, Christina; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Xiao, Li; Weissensteiner, Walter","Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine complexesElectronic supplementary information (ESI) available: experimental details and NMR data for 1c and 2c. See http://www.rsc.org/suppdata/dt/b1/b104128m/","Journal of the Chemical Society, Dalton Transactions","2001","","20","2989","","10.1039/b104128m","","","0.71073","MoKα","","0.0536","0.0451","","","0.108","0.1181","","","","","","1.051","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010825","9.542","0.006","34.54","0.02","10.164","0.006","90","","109.67","0.03","90","","3154","3","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(RRu, RC, Spl)-bromo-(eta$5!-cyclopentadienyl)-(2-(1-N,N-dimethylaminoethyl)- 1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] chloroform solvate","","- C32 H34 Br Cl3 Fe N P Ru -","- C32 H34 Br Cl3 Fe N P Ru -","- C128 H136 Br4 Cl12 Fe4 N4 P4 Ru4 -","4","2","","Standfest-Hauser, Christina; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Xiao, Li; Weissensteiner, Walter","Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine complexesElectronic supplementary information (ESI) available: experimental details and NMR data for 1c and 2c. See http://www.rsc.org/suppdata/dt/b1/b104128m/","Journal of the Chemical Society, Dalton Transactions","2001","","20","2989","","10.1039/b104128m","","","0.71073","MoKα","","0.0489","0.0425","","","0.0991","0.1018","","","","","","1.004","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010832","15.4512","0.0008","10.1073","0.0005","18.0725","0.0009","90","","90.541","0.001","90","","2822.3","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 N4 O6 Zn -","- C30 H26 N4 O6 Zn -","- C120 H104 N16 O24 Zn4 -","4","2","","Cara Evans; Dominique Luneau","New Schiff base zinc(II) complexes exhibiting second harmonic generation","J. Chem. Soc., Dalton Trans.","2002","","1","83","86","10.1039/b104360a","","","0.71073","MoKα","","0.0449","0.0311","","","0.0808","0.0887","","","","","","0.614","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010835","10.599","0.0015","13.5789","0.0018","13.3087","0.0018","90","","105.815","0.003","90","","1842.9","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H30 F12 N6 P2 Ru -","- C32.992 H30 F12 N6 P2 Ru -","- C65.984 H60 F24 N12 P4 Ru2 -","2","1","","Fletcher, Nicholas C.; Nieuwenhuyzen, Mark; Rainey, Sharon","The isolation and purification of tris-2,2'-bipyridine complexes of ruthenium(ii) containing unsymmetrical ligands","Journal of the Chemical Society, Dalton Transactions","2001","","18","2641","","10.1039/b104365j","","","0.71073","MoKα","","0.0643","0.0509","","","0.1249","0.1328","","","","","","1.023","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00",""
"7010880","9.7558","0.001","19.356","0.003","22.421","0.004","90","","92.589","0.01","90","","4229.5","1.1","150","","150","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C45 H53 Mn N5 O5 -","- C45 H53 Mn N5 O5 -","- C180 H212 Mn4 N20 O20 -","4","2","","Warzeska, Sabine T.; Miccichè, Fabrizio; Mimmi, M. Chiara; Bouwman, Elisabeth; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan","Tuning the coordination mode in mononuclear manganese complexes by changing the steric bulk of the carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","23","3507","","10.1039/b104975p","","","0.71073","MoKa","","0.0617","0.0487","","","0.0968","0.1019","","","","","","1.054","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010946","9.274","0.0003","23.594","0.0008","9.843","0.0002","90","","116.489","0.0018","90","","1927.65","0.1","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H15 O15 P Pt Ru5 -","- C34 H15 O15 P Pt Ru5 -","- C68 H30 O30 P2 Pt2 Ru10 -","2","1","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.7107","MoKα","","0.0365","0.0333","","","0.0801","0.0819","","","","","","1.029","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00",""
"7011034","13.174","0.0002","32.1983","0.0002","17.9687","0.0003","90","","108.628","0.001","90","","7222.67","0.17","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C147.5 H107 Ag4 F24 N16 P4 -","- C147.5 H107 Ag4 F24 N16 P4 -","- C295 H214 Ag8 F48 N32 P8 -","2","1","","Jacqueline Hamblin; Laura J. Childs; Nathaniel W. Alcock; Michael J. Hannon","Directed one-pot syntheses of enantiopure dinuclear silver(I) and copper(I) metallo-supramolecular double helicates","J. Chem. Soc., Dalton Trans.","2002","","2","164","169","10.1039/b106987j","","","0.71073","MoKα","","0.2412","0.0662","","","0.1182","0.17","","","","","","0.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011037","9.778","0.003","18.113","0.005","10.387","0.003","90","","103.643","0.005","90","","1787.7","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H54 Li2 N4 Si4 -","- C24 H54 Li2 N4 Si4 -","- C48 H108 Li4 N8 Si8 -","2","1","","Jian-Feng Li; Lin-Hong Weng; Xue-Hong Wei; Dian-Sheng Liu","Synthesis and structures of novel chiral lithium amidinates and mono- and di-lithium (1R,2R)-(−)-1,2-(NHSiMe3)2C6H10","J. Chem. Soc., Dalton Trans.","2002","","7","1401","1405","10.1039/b106992f","","","0.71073","MoKα","","0.1137","0.057","","","0.1294","0.1525","","","","","","0.913","","","","has coordinates","179814","2020-10-21","18:00:00",""
"7011038","9.9459","0.0004","20.6507","0.0009","11.0775","0.0004","90","","96.703","0.001","90","","2259.65","0.16","293","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H68 Li2 N6 Si4 -","- C38 H68 Li2 N6 Si4 -","- C76 H136 Li4 N12 Si8 -","2","1","","Jian-Feng Li; Lin-Hong Weng; Xue-Hong Wei; Dian-Sheng Liu","Synthesis and structures of novel chiral lithium amidinates and mono- and di-lithium (1R,2R)-(−)-1,2-(NHSiMe3)2C6H10","J. Chem. Soc., Dalton Trans.","2002","","7","1401","1405","10.1039/b106992f","","","0.71073","MoKα","","0.0517","0.0373","","","0.0771","0.0814","","","","","","0.952","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011064","11.4723","0.0002","15.3201","0.0003","19.17","0.0003","90","","93.286","0.001","90","","3363.72","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H36.5 N4 O4.25 S2 -","- C34 H36.5 N4 O4.25 S2 -","- C136 H146 N16 O17 S8 -","4","2","","Miguel Vázquez; Manuel R. Bermejo; Jesús Sanmartín; Ana M. García-Deibe; Carlos Lodeiro; José Mahía","Metal complexes with a chiral N4 symmetrical Schiff base. Crystal structures of the ligand and its Cu(II) and Ni(II) “mono-helicates”","J. Chem. Soc., Dalton Trans.","2002","","6","870","877","10.1039/b107116p","","","0.71073","MoKα","","0.0792","0.0517","","","0.1052","0.1213","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011090","11.6163","0.0014","17.384","0.002","11.3268","0.0013","90","","100.518","0.01","90","","2248.9","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Complex 4","","","- C33 H66 N6 S6 V2 -","- C32 H66 N6.84 S6 V2 -","- C64 H132 N13.68 S12 V4 -","2","1","","Sian C. Davies; David L. Hughes; Raymond L. Richards; J. Roger Sanders","Dinuclear iron and vanadium complexes of the N(CH2CH2S)33− ligand with bridging oxide, nitride or cyanide","J. Chem. Soc., Dalton Trans.","2002","","7","1442","1447","10.1039/b107399k","","","0.71069","MoKα","","0.0495","0.0371","","0.1034","0.0898","","","","1.082","1.105","1.105","","","","","has coordinates,has disorder","179814","2020-10-21","18:00:00",""
"7011099","13.459","0.003","23.09","0.005","14.721","0.003","90","","103.99","0.03","90","","4439.1","1.7","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H74 Cl2 F12 O3 P8 Pt3 Tl -","- C81 H66 F12 O4 P8 Pt3 Tl -","- C162 H132 F24 O8 P16 Pt6 Tl2 -","2","1","","Raisa Stadnichenko; Brian T. Sterenberg; Arlene M. Bradford; Michael C. Jennings; Richard J. Puddephatt","Platinum‒thallium cluster complexes","J. Chem. Soc., Dalton Trans.","2002","","6","1212","1216","10.1039/b107579a","","","0.71073","MoKα","","0.127","0.0795","","","0.1899","0.2161","","","","","","1.104","","","","has coordinates","179814","2020-10-21","18:00:00",""
"7011152","11.089","0.002","8.694","0.002","12.364","0.002","90","","94.446","0.003","90","","1188.4","0.4","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N11 O2 -","- C26 H23 N11 O2 -","- C52 H46 N22 O4 -","2","1","","Michael M. Bishop; Leonard F. Lindoy; Brian W. Skelton; Allan H. White","Modification of supramolecular motifs: some effects of incorporation of metal complexes into supramolecular arrays","J. Chem. Soc., Dalton Trans.","2002","","3","377","382","10.1039/b108070a","","","0.71073","MoKα","","0.06","0.042","","0.046","","0.044","","","1.251","","","1.362","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7011159","11.005","0.002","36.622","0.002","12.02","0.002","90","","98.06","0.01","90","","4796.5","1.2","296.2","","296.2","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C48.25 H44.5 F6 O0.75 P3 Rh S2 W -","- C48.25 H44.5 F6 O0.75 P3 Rh S2 W -","- C193 H178 F24 O3 P12 Rh4 S8 W4 -","4","2","","Hiroko Kato; Hidetake Seino; Yasushi Mizobe; Masanobu Hidai","Syntheses and reactivities of hydrosulfido- or sulfido-bridged heterobimetallic complexes containing Group 6 and Group 9 metals","J. Chem. Soc., Dalton Trans.","2002","","7","1494","1499","10.1039/b108227m","","","0.7107","MoKα","","0.04","0.04","","","0.0377","0.0377","","","","","","1.415","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011168","9.459","0.005","13.394","0.005","10.898","0.005","90","","96.82","0.05","90","","1370.9","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 Cl N4 O2 Pt -","- C26 H23 Cl N4 O2 Pt -","- C26 H23 Cl N4 O2 Pt -","1","0.5","","Junyong Zhang; Qin Liu; Chunying Duan; Ying Shao; Jian Ding; Zehong Miao; Xiao-Zeng You; Zijian Guo","Structural evidence for the facile chelate-ring opening reactions of novel platinum(II)‒pyridine carboxamide complexes","J. Chem. Soc., Dalton Trans.","2002","","4","591","597","10.1039/b108378n","","","0.71073","MoKα","","0.0641","0.0508","","","0.141","0.157","","","","","","1.154","","","","has coordinates","179815","2020-10-21","18:00:00",""
"7011221","8.4047","0.0006","25.3897","0.0018","18.6676","0.0013","90","","97.205","0.001","90","","3952.1","0.5","31.5","0.2","31.5","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C132 H108 B12 Cu6 F48 N60 -","6","3","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0303","0.0272","","","0.0717","0.0738","","","","","","1.046","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011222","8.4141","0.0009","8.4747","0.0009","18.6833","0.0019","90","","97.371","0.002","90","","1321.2","0.2","50","2","50","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0232","0.0224","","","0.0588","0.0593","","","","","","1.047","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011223","8.4158","0.0004","8.4834","0.0004","18.6853","0.0008","90","","97.147","0.001","90","","1323.66","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0228","0.0217","","","0.0577","0.0583","","","","","","1.065","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011224","8.4377","0.0002","8.5069","0.0002","18.7544","0.0007","90","","96.9618","0.0011","90","","1336.24","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.059","0.0434","","","0.0953","0.1028","","","","","","1.042","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011225","8.4547","0.0002","8.5258","0.0002","18.8122","0.0007","90","","96.7596","0.0011","90","","1346.62","0.07","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0707","0.048","","","0.1033","0.1146","","","","","","1.027","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011226","8.4734","0.0002","8.5454","0.0002","18.8745","0.0006","90","","96.4846","0.0009","90","","1357.93","0.06","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0581","0.0455","","","0.1096","0.1176","","","","","","1.029","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011227","8.4981","0.0002","8.5663","0.0002","18.9448","0.0005","90","","96.131","0.0011","90","","1371.24","0.06","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0573","0.0454","","","0.1141","0.1235","","","","","","1.029","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011228","8.5234","0.0002","8.5849","0.0002","19.0161","0.0004","90","","95.6764","0.0011","90","","1384.63","0.05","350","2","350","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0699","0.0529","","","0.139","0.1542","","","","","","1.049","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011229","8.4533","0.0002","8.462","0.0003","18.7922","0.0006","90","","96.9787","0.0012","90","","1334.28","0.07","100","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Zn -","- C22 H18 B2 F8 N10 Zn -","- C44 H36 B4 F16 N20 Zn2 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0535","0.0435","","","0.0953","0.1002","","","","","","1.042","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011230","8.4605","0.0002","8.4808","0.0003","18.8377","0.0006","90","","96.7435","0.0019","90","","1342.29","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Zn -","- C22 H18 B2 F8 N10 Zn -","- C44 H36 B4 F16 N20 Zn2 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0612","0.0457","","","0.0977","0.1051","","","","","","1.033","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011231","8.4726","0.0002","8.5038","0.0002","18.8988","0.0005","90","","96.5478","0.001","90","","1352.76","0.06","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Zn -","- C22 H18 B2 F8 N10 Zn -","- C44 H36 B4 F16 N20 Zn2 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0419","0.0384","","","0.0961","0.0985","","","","","","1.104","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011232","8.4863","0.0002","8.5234","0.0002","18.9687","0.0006","90","","96.2969","0.0011","90","","1363.77","0.06","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Zn -","- C22 H18 B2 F8 N10 Zn -","- C44 H36 B4 F16 N20 Zn2 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0542","0.0461","","","0.1121","0.1174","","","","","","1.07","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011233","8.5022","0.0002","8.5044","0.0003","19.0408","0.0006","90","","95.9483","0.0013","90","","1369.35","0.07","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Zn -","- C22 H18 B2 F8 N10 Zn -","- C44 H36 B4 F16 N20 Zn2 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.065","0.0514","","","0.1255","0.1372","","","","","","1.056","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011234","8.4635","0.0002","8.4801","0.0002","18.8401","0.0006","90","","96.8011","0.0012","90","","1342.66","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Zn -","- C22 H18 B2 F8 N10 Zn -","- C44 H36 B4 F16 N20 Zn2 -","2","1","","Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow","A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1295","1301","10.1039/b109201b","","","0.71073","MoKα","","0.0503","0.0401","","","0.0867","0.0921","","","","","","1.056","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011270","9.328","0.0009","8.765","0.0008","12.499","0.0012","90","","104.679","0.004","90","","988.56","0.16","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H18 Cl6 N2 Nb P Si2 -","- C6 H18 Cl6 N2 Nb P Si2 -","- C12 H36 Cl12 N4 Nb2 P2 Si4 -","2","1","","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Synthesis and characterization of perhalogenated diazaphosphametalletidines containing transition metals from group 4 and 5","Journal of the Chemical Society, Dalton Transactions","2002","","10","2173","","10.1039/b109905c","","","0.7107","MoKα","","0.0573","0.0431","","","0.0987","0.1083","","","","","","1.048","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011421","13.8809","0.0002","17.2756","0.0002","13.9058","0.0002","90","","99.7585","0.0006","90","","3286.37","0.08","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H44 Co5 F9 N20 O9 S3 -","- C63 H44 Co5 F9 N20 O9 S3 -","- C126 H88 Co10 F18 N40 O18 S6 -","2","1","","Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming","Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds","Journal of the Chemical Society, Dalton Transactions","2002","","13","2670","","10.1039/b111462j","","","0.71073","MoKα","","0.07","0.0538","","","0.1337","0.1476","","","","","","1.046","","","","has coordinates,has disorder","179818","2020-10-21","18:00:00",""
"7011688","9.0217","0.0018","17.072","0.003","9.0882","0.0018","90","","113.81","0.03","90","","1280.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H39 As F6 P2 Pd -","- C18 H39 As F6 P2 Pd -","- C36 H78 As2 F12 P4 Pd2 -","2","1","","Schmidt, Ulrich; Ilg, Kerstin; Brandt, Carsten D.; Werner, Helmut","Mono- and di-nuclear palladium(ii) complexes with bulky arsino(phosphino)methanes in different coordination modes","Journal of the Chemical Society, Dalton Transactions","2002","","14","2815","","10.1039/b202879b","","","0.71073","MoKα","","0.0278","0.0251","","","0.061","0.062","","","","","","1.05","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011743","9.6373","0.0019","11.832","0.002","16.811","0.003","90","","100.69","0.03","90","","1883.7","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","dilithio (s)-N-(alpha-benzylmethyl)allylamide.tmeda","","","- C34 H58 Li4 N6 -","- C34 H58 Li4 N6 -","- C68 H116 Li8 N12 -","2","1","","Andrews, Philip C.; Calleja, Simone M.; Maguire, Melissa","Solid state structures of homo- and hetero-bimetallic alkali metal complexes containing the dianion of (S)-N-(??-methylbenzyl)allylamine","Journal of the Chemical Society, Dalton Transactions","2002","","18","3640","","10.1039/b203470k","","","0.71073","MoK","","0.1046","0.0488","","","0.1014","0.117","","","","","","0.929","","","","has coordinates,has disorder","179821","2020-10-21","18:00:00",""
"7011768","13.337","0.003","17.283","0.004","14.449","0.003","90","","104.29","0.03","90","","3227.5","1.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H48 F9 La N22 O9 S3 -","- C50 H48 F9 La N22 O9 S3 -","- C100 H96 F18 La2 N44 O18 S6 -","2","1","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.072","0.055","","","0.1237","0.1327","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011769","13.24","0.003","17.266","0.004","14.491","0.003","90","","103.81","0.03","90","","3216.9","1.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H48 Ce F9 N22 O9 S3 -","- C50 H48 Ce F9 N22 O9 S3 -","- C100 H96 Ce2 F18 N44 O18 S6 -","2","1","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.0708","0.0557","","","0.1355","0.1459","","","","","","0.99","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011770","13.254","0.003","17.234","0.003","14.747","0.003","90","","103.19","0.03","90","","3279.6","1.2","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H55 Ce F6 I N23 O6 S2 -","- C57 H55 Ce F6 I N23 O6 S2 -","- C114 H110 Ce2 F12 I2 N46 O12 S4 -","2","1","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.0948","0.0631","","","0.1294","0.1451","","","","","","1.01","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011799","9.066","0.002","11.776","0.002","13.601","0.003","90","","108.916","0.016","90","","1373.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 N6 P2 Pt -","- C24 H36 N6 P2 Pt -","- C48 H72 N12 P4 Pt2 -","2","1","","Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.","Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","18","3611","","10.1039/b204179k","","","0.71073","MoKα","","0.0283","0.0238","","","0.0547","0.0566","","","","","","1.046","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7011817","11.0695","0.0002","21.0832","0.0004","12.8046","0.0003","90","","99.7418","0.0008","90","","2945.25","0.1","149","","149","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H74 Ge O4 Si6 -","- C58 H74 Ge O4 Si6 -","- C116 H148 Ge2 O8 Si12 -","2","1","","Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.","Novel germanium(ii) binaphthoxide complexes: synthesis and crystal structure of (R,R)-[Ge{OC20H10(OSiMe3)-2'-(SiMe3)2-3,3'}2] and (R)-[Ge{O2C20H10(SiMe2Ph)2-3,3'}{NH3}]; catalytic function of Ge[N(SiMe3)2]2 for the mono-silylation of 3,3'-disubstituted-1,1'-bi-2,2'-naphthols","Journal of the Chemical Society, Dalton Transactions","2002","","15","2948","","10.1039/b204299a","","","0.71073","MO-Kα","","","0.037","","","","0.082","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011833","10.4536","0.0002","8.6462","0.0001","12.3684","0.0002","90","","104.534","0.001","90","","1082.13","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H21 As4 N3 O17 Zn4 -","- C5 H21 As4 N3 O17 Zn4 -","- C10 H42 As8 N6 O34 Zn8 -","2","1","","Chakrabarti, Sandip; Natarajan, Srinivasan","Solution mediated synthesis and structure of a three-dimensional zinc arsenate, [NH3(CH2)3NH2(CH2)2NH3][Zn4(AsO4)3(HAsO4)]??H2O, with intersecting helical channels","Journal of the Chemical Society, Dalton Transactions","2002","","20","3874","","10.1039/b204669p","","","0.71073","MoKα","","0.0417","0.0362","","","0.0816","0.0838","","","","","","1.016","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011883","8.1923","0.0006","13.8066","0.0014","11.973","0.001","90","","92.14","0.01","90","","1353.3","0.2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(out-7-Methyl-1-aza-4,10,15-trithia-bicyclo[5.5.5]heptadecan)Ag tosylate acetonitrile","","- C23 H37 Ag N2 O3 S4 -","- C23 H37 Ag N2 O3 S4 -","- C46 H74 Ag2 N4 O6 S8 -","2","1","","Baumeister, Jan M.; Alberto, Roger; Ortner, Kirstin; Spingler, Bernhard; August Schubiger, P.; Kaden, Thomas A.","Central vs. peripheral Ag(i) coordination in NS3-open chain and cage ligands","Journal of the Chemical Society, Dalton Transactions","2002","","22","4143","","10.1039/b205287c","","","0.71073","MoKα","","0.0383","0.0315","","","0.0699","0.0718","","","","","","0.949","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011886","13.344","0.002","29.73","0.006","14.451","0.002","90","","91.1","0.01","90","","5731.9","1.6","295.2","","295.2","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C68.5 H50 Br Cl Co N4 P2 Pt -","- C68.5 H50 Br Cl Co N4 P2 Pt -","- C274 H200 Br4 Cl4 Co4 N16 P8 Pt4 -","4","2","","Hodgson, Margaret J.; Healy, Peter C.; Williams, Michael L.; Arnold, Dennis P.","Peripherally-metallated porphyrins: preparations, spectroscopic properties and structural studies of trans-[PtBr(MDPP)(PPh3)2](DPP = dianion of 5,15-diphenylporphyrin, M = MnCl, Co, Ni, Zn) and related meso-η1-organoplatinum porphyrins","Journal of the Chemical Society, Dalton Transactions","2002","","23","4497","","10.1039/b205295b","","","0.7107","MoKα","","0.0731","0.043","","0.042","","0.04","","","1.614","","","1.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011887","13.333","0.006","29.719","0.004","14.441","0.007","90","","91.14","0.04","90","","5721","4","295.2","","295.2","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C68.5 H50 Br Cl N4 Ni P2 Pt -","- C68.5 H50 Br Cl N4 Ni P2 Pt -","- C274 H200 Br4 Cl4 N16 Ni4 P8 Pt4 -","4","2","","Hodgson, Margaret J.; Healy, Peter C.; Williams, Michael L.; Arnold, Dennis P.","Peripherally-metallated porphyrins: preparations, spectroscopic properties and structural studies of trans-[PtBr(MDPP)(PPh3)2](DPP = dianion of 5,15-diphenylporphyrin, M = MnCl, Co, Ni, Zn) and related meso-η1-organoplatinum porphyrins","Journal of the Chemical Society, Dalton Transactions","2002","","23","4497","","10.1039/b205295b","","","0.7107","MoKα","","0.1053","0.064","","0.07","","0.068","","","2.499","","","2.88","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011888","13.386","0.006","29.89","0.007","14.523","0.005","90","","90.75","0.03","90","","5810","4","293.2","","293.2","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C68.5 H50 Br Cl N4 P2 Pt Zn -","- C68.5 H50 Br Cl N4 P2 Pt Zn -","- C274 H200 Br4 Cl4 N16 P8 Pt4 Zn4 -","4","2","","Hodgson, Margaret J.; Healy, Peter C.; Williams, Michael L.; Arnold, Dennis P.","Peripherally-metallated porphyrins: preparations, spectroscopic properties and structural studies of trans-[PtBr(MDPP)(PPh3)2](DPP = dianion of 5,15-diphenylporphyrin, M = MnCl, Co, Ni, Zn) and related meso-η1-organoplatinum porphyrins","Journal of the Chemical Society, Dalton Transactions","2002","","23","4497","","10.1039/b205295b","","","0.7107","MoKα","","0.0973","0.043","","0.047","","0.042","","","1.502","","","1.72","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011919","13.518","0.005","6.425","0.003","18.913","0.003","90","","106.523","0.002","90","","1574.8","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 Na O12 V2 -","- C28 H36 N2 Na O12 V2 -","- C56 H72 N4 Na2 O24 V4 -","2","1","","Costa Pessoa, João; Calhorda, Maria J.; Cavaco, Isabel; Correia, Isabel; Duarte, M. Teresa; Felix, Vitor; Henriques, R.T.; Piedade, Maria F. M.; Tomaz, Isabel","Molecular modelling studies of N-salicylideneamino acidato complexes of oxovanadium(iv). Molecular and crystal structure of a new dinuclear LOVIV‒O‒VVOL mixed valence complex","Journal of the Chemical Society, Dalton Transactions","2002","","23","4407","","10.1039/b205843j","","","0.71073","MoKα","","0.0709","0.0487","","","0.1048","0.1236","","","","","","1.112","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011943","10.177","0.014","17.733","0.027","11.431","0.016","90","","115.72","0.01","90","","1859","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30.5 H25 N2 O4.5 P Pd S2 -","- C30.5 H25 N2 O4.5 P Pd S2 -","- C61 H50 N4 O9 P2 Pd2 S4 -","2","1","","Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew","Coordination modes of 2-mercaptonicotinic acid: synthesis and crystal structures of palladium(II), platinum(II), rhenium(III) and molybdenum(VI) complexes","J. Chem. Soc., Dalton Trans.","2002","","23","4479","4487","10.1039/b206101e","","","0.71073","MoKα","","0.0923","0.0679","","","0.185","0.2045","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011944","10.39","0.015","17.781","0.02","11.553","0.015","90","","115.54","0.01","90","","1926","4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H40 N3 O5 P Pt S2 -","- C36 H38 N3 O5 P Pt S2 -","- C72 H76 N6 O10 P2 Pt2 S4 -","2","1","","Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew","Coordination modes of 2-mercaptonicotinic acid: synthesis and crystal structures of palladium(II), platinum(II), rhenium(III) and molybdenum(VI) complexes","J. Chem. Soc., Dalton Trans.","2002","","23","4479","4487","10.1039/b206101e","","","0.71073","MoKα","","0.0546","0.0449","","","0.1176","0.1241","","","","","","1.052","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011959","9.1866","0.0019","15.768","0.003","9.913","0.003","90","","100.83","0.16","90","","1410.4","1","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl2 Cr F6 O2 P -","- C28 H28 Cl2 Cr F6 O2 P -","- C56 H56 Cl4 Cr2 F12 O4 P2 -","2","1","","Christopher J. Adams; Ian M. Bartlett; Neil G. Connelly; David J. Harding; Owen D. Hayward; Antonio J. Martín; A. Guy Orpen; Michael J. Quayle; Philip H. Rieger","Redox routes to arenechromium complexes of two-, three- and four-electron alkynes; structure and bonding in paramagnetic [Cr(CO)L(η-RCCR)(η-arene)]+","J. Chem. Soc., Dalton Trans.","2002","","22","4281","4288","10.1039/b206177p","","","0.71073","MoKα","","0.0727","0.0553","","","0.1243","0.1384","","","","","","1.14","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011992","9.181","0.002","8.602","0.003","9.852","0.004","90","","116.63","0.02","90","","695.5","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- H6 Mn4 O15 Se4 -","- Mn4 O15 Se4 -","- Mn8 O30 Se8 -","2","1","","Aitor Larrañaga; José L. Mesa; José L. Pizarro; R. Olazcuaga; María I. Arriortua; Teófilo Rojo","Hydrothermal synthesis, crystal structure, spectroscopic and magnetic properties of Mn4(H2O)3(SeO3)4 and Mn3(H2O)(SeO3)3","J. Chem. Soc., Dalton Trans.","2002","","18","3447","3453","10.1039/b206515k","","x-ray","0.7107","MoKα","","0.0597","0.0563","","","0.152","0.1562","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012104","9.2253","0.0002","37.0328","0.0009","10.9457","0.0002","90","","90.565","0.001","90","","3739.29","0.14","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(eta-3-allyl)[eta-2-{N,N-(diphenylphosphino) (phenyl, 3,5-dimethylpyrazolylphosphino) (S)-1-phenylethylamine}-kappa-P,N] palladium(II)hexafluorophosphate","","- C35.5 H39 F6 N3 O0.5 P3 Pd -","- C35.5 H39 F6 N3 O0.5 P3 Pd -","- C142 H156 F24 N12 O2 P12 Pd4 -","4","2","","Mandal, Swadhin K.; Nagana Gowda, G. A.; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam","Palladium(ii) allyl complexes of chiral diphosphazane ligands: ambident coordination behaviour and stereodynamic studies in solutionOrganometallic chemistry of diphosphazanes. Part 17.11g.Electronic supplementary information (ESI) available: NMR and crystallographic data, stereodynamic behaviour schemes. See http://www.rsc.org/suppdata/dt/b2/b207447h/","Dalton Transactions","2003","","5","1016","","10.1039/b207447h","","","0.71073","MoKαlpha","","0.0441","0.0383","","","0.0989","0.1091","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012143","10.314","0.0005","13.439","0.0008","12.814","0.0009","90","","102.5","0.002","90","","1734.04","0.18","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl2 Ru2 S4 -","- C35 H25 Cl2.01 Ru2 S4 -","- C70 H50 Cl4.02 Ru4 S8 -","2","1","","Watanabe, Masanobu; Sato, Masaru; Kai, Masahiro","Synthesis of the first non-carbonyl cisoid fulvalene complexes with an Ru–Ru bond bridged by thiolate ligands","Dalton Transactions","2003","","4","651","","10.1039/b207928n","","","0.71073","MoKα","","0.0563","0.0495","","","0.1381","0.1432","","","","","","1.08","","","","has coordinates","275158","2022-05-06","23:39:15",""
"7012179","12.7711","0.0008","16.4209","0.001","18.2693","0.0012","90","","93.44","0.01","90","","3824.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38.5 H42.5 Cl1.5 Fe N4 O8 -","- C38.5 H42.5 Cl1.5 Fe N4 O8 -","- C154 H170 Cl6 Fe4 N16 O32 -","4","2","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides","Dalton Transactions","2003","","2","210","","10.1039/b208363a","","","0.71073","MoKα","","0.0679","0.0516","","0.1551","0.1266","","","","1.022","1.03","1.03","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7012181","9.323","0.004","18.192","0.007","16.89","0.007","90","","103.34","0.005","90","","2787","2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41.5 H17 Cl3 Co8 O22 Si4 -","- C41.5 H17 Cl3 Co8 O22 Si4 -","- C83 H34 Cl6 Co16 O44 Si8 -","2","1","","Evans, Cameron; Harfoot, Gwion J.; Scott McIndoe, J.; John McAdam, C.; Mackay, Kenneth M.; Nicholson, Brian K.; Robinson, Brian H.; Van Tiel, Martin L.","The preparation and characterisation of monomeric and linked metal carbonyl clusters containing the closo-Si2Co4 pseudo-octahedral core","Journal of the Chemical Society, Dalton Transactions","2002","","24","4678","","10.1039/b208374b","","","0.71073","MoKα","","0.1021","0.0469","","","0.1001","0.1108","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012205","9.346","0.002","18.006","0.003","18.339","0.003","90","","90.94","0.02","90","","3085.7","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H35 B10 Fe Mo N O6 -","- C22 H35 B10 Fe Mo N O6 -","- C88 H140 B40 Fe4 Mo4 N4 O24 -","4","2","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and reactivity of icosahedral molybdenum-monocarbaborane complexes containing one or two intramolecular amino bridgesThe new compounds described herein are based upon closo-1-carba-2-molybdenadodecaborane fragments, and all bear boron-bound exopolyhedral substituents. It should be noted that, although they contain chiral centres, species here occur as racemates. Substitued boron atoms at positions 3, 7, 11 or 6 could equally be labeled 6, 11, 7 and 3, respectively. In each case the former is used, in accordance with IUPAC convention.","Dalton Transactions","2003","","1","46","","10.1039/b208584b","","","0.71073","MoKα","","0.1175","0.065","","","0.1155","0.1375","","","","","","1.054","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012232","8.509","0.002","10.5654","0.0013","17.553","0.002","90","","99.021","0.014","90","","1558.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl P2 Pd S -","- C34 H33 Cl P2 Pd S -","- C68 H66 Cl2 P4 Pd2 S2 -","2","1","","Dervisi, Athanasia; Jenkins, Robert L.; Malik, K. M. Abdul; Hursthouse, Michael B.; Coles, Simon","Synthesis of Ni(ii), Pd(ii) and Pt(ii) complexes containing chiral phosphino-thiol and -thioether ligands","Dalton Transactions","2003","","6","1133","","10.1039/b209142a","","","0.71073","MoKα","","0.063","0.0311","","0.0731","0.065","","","","1.06","1.062","1.062","","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012598","11.627","0.003","24.689","0.003","15.391","0.002","90","","111.95","0.01","90","","4097.9","1.3","123","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N9 P3 -","- C42 H48 N9 P3 -","- C168 H192 N36 P12 -","4","2","","Bickley, Jamie F.; Bonar-Law, Richard; Lawson, Gavin T.; Richards, Philip I.; Rivals, Frederic; Steiner, Alexander; Zacchini, Stefano","Supramolecular variations on a molecular theme: the structural diversity of phosphazenes (RNH)6P3N3 in the solid state","Dalton Transactions","2003","","7","1235","","10.1039/b212308h","","","0.71073","MoKα","","0.0594","0.0372","","","0.0769","0.0824","","","","","","0.852","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012617","9.383","0.0009","22.907","0.002","10.5301","0.0009","90","","105.298","0.007","90","","2183.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 B Mn2 N6 O6 -","- C20 H13 B Mn2 N6 O6 -","- C80 H52 B4 Mn8 N24 O24 -","4","2","","Alireza Haghiri Ilkhechi; ShengLi Guo; Michael Bolte; Matthias Wagner","Cymantrene-based tris(1-pyrazolyl)borates: synthesis and structural characterization of di- and trimetallic complexes","Dalton Trans.","2003","","11","2303","2307","10.1039/b212356h","","","0.71073","MoKα","","0.0557","0.0415","","","0.0794","0.0831","","","","","","0.939","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012635","11.746","0.002","24.872","0.004","13.064","0.002","90","","96.58","0.01","90","","3791.5","1.1","296.2","","296.2","","","","","","","","","7","P 1 21 1","P 2yb","4","octa(hydroxyprolinato)hexacopper(II)- sodium perchrolate pentahydrate","","","- C40 H72 Cl5 Cu6 N8 Na O48 -","- C40 H56 Cl5 Cu6 N8 Na O48 -","- C80 H112 Cl10 Cu12 N16 Na2 O96 -","2","1","","Li-Yan Wang; Satoshi Igarashi; Yasuhiko Yukawa; Yoshimasa Hoshino; Olivier Roubeau; Guillem Aromí; Richard E. P. Winpenny","Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(II) barrel clusters with spin ground state S= 3","Dalton Trans.","2003","","11","2318","2324","10.1039/b212494g","","","0.7107","MoKα","","","0.0597","","","","0.0816","","","","","","1.082","","","","has coordinates","288178","2023-12-08","09:51:08",""
"7012637","7.704","0.003","23.505","0.008","15.251","0.005","90","","99.141","0.006","90","","2726.6","1.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N6 O7 Pt2 -","- C19 H32 N6 O7 Pt2 -","- C76 H128 N24 O28 Pt8 -","4","2","","Failes, Timothy W.; Hall, Matthew D.; Hambley, Trevor W.","The first examples of platinum amine hydroxamate complexes: structures and biological activity","Dalton Transactions","2003","","8","1596","","10.1039/b212553f","","","0.71073","MoKα","","0.086","0.0563","","","0.1383","0.1587","","","","","","1.079","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012662","9.68","0.0002","10.4416","0.0002","16.3287","0.0004","90","","97.3445","0.0008","90","","1636.88","0.06","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H41 Cl2 N2 O2 Si2 Ta -","- C30 H41 Cl2 N2 O2 Si2 Ta -","- C60 H82 Cl4 N4 O4 Si4 Ta2 -","2","1","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.046","","","","0.101","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012663","11.179","0.0002","20.4517","0.0005","13.5288","0.0004","90","","109.926","0.001","90","","2907.9","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H53 Cl2 N2 O2 Si2 Ta -","- C60 H53 Cl2 N2 O2 Si2 Ta -","- C120 H106 Cl4 N4 O4 Si4 Ta2 -","2","1","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.047","","","","0.106","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012669","9.9984","0.0001","19.1501","0.0003","18.4535","0.0003","90","","94.352","0.001","90","","3523.11","0.09","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C80 H70 Cl N2 O2 S4 Si2 Ta -","- C80 H70 Cl N2 O2 S4 Si2 Ta -","- C160 H140 Cl2 N4 O4 S8 Si4 Ta2 -","2","1","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.032","","","","0.075","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012706","10.998","0.005","8.647","0.005","12.017","0.005","90","","107.69","0.005","90","","1088.8","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N O P Pd -","- C23 H23 Cl N O P Pd -","- C46 H46 Cl2 N2 O2 P2 Pd2 -","2","1","","Apfelbacher, Andreas; Braunstein, Pierre; Brissieux, Luc; Welter, Richard","New phosphino-oxazoline and related phosphino-iminolate palladium complexes; structure of an unusual zwitterionic dinuclear Pd(ii) complex","Dalton Transactions","2003","","9","1669","","10.1039/b300321n","","","0.71069","MoKα","","0.0323","0.0277","","","0.0737","0.0771","","","","","","0.807","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012760","9.627","0.0001","17.1463","0.0003","11.3747","0.0002","90","","106.352","0.001","90","","1801.64","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Rh6(CO)14(2-Ph2P(2-benzothienyl))]","","","- C30 H13 O14 P Rh6 S -","- C30 H13 O14 P Rh6 S -","- C60 H26 O28 P2 Rh12 S2 -","2","1","","Sergey P. Tunik; Igor O. Koshevoy; Anthony J. Poë; David H. Farrar; Ebbe Nordlander; Matti Haukka; Tapani A. Pakkanen","Chiral hexarhodium carbonyl clusters containing heterobidentate phosphine ligands; a structural and reactivity study","Dalton Trans.","2003","","12","2457","2467","10.1039/b300951c","","","0.71073","MoKα","","0.0221","0.021","","","0.0497","0.0502","","","","","","1.111","","","","has coordinates","179831","2020-10-21","18:00:00",""
"7012761","9.4304","0.0019","16.894","0.003","11.371","0.002","90","","105.34","0.03","90","","1747.1","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Rh6(CO)14(PhP(2-thienyl)2)]","","","- C28 H11 O14 P Rh6 S2 -","- C28 H11 O14 P Rh6 S2 -","- C56 H22 O28 P2 Rh12 S4 -","2","1","","Sergey P. Tunik; Igor O. Koshevoy; Anthony J. Poë; David H. Farrar; Ebbe Nordlander; Matti Haukka; Tapani A. Pakkanen","Chiral hexarhodium carbonyl clusters containing heterobidentate phosphine ligands; a structural and reactivity study","Dalton Trans.","2003","","12","2457","2467","10.1039/b300951c","","","0.71073","MoKα","","0.0237","0.0225","","","0.0568","0.058","","","","","","1.059","","","","has coordinates","179831","2020-10-21","18:00:00",""
"7012895","7.0817","0.0012","20.162","0.004","10.7184","0.0019","90","","100.217","0.003","90","","1506.1","0.5","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","(RuCp(eta6-C6H5NMe2))PF6, compound (10)","","","- C13 H16 F6 N P Ru -","- C13 H16 F6 N P Ru -","- C52 H64 F24 N4 P4 Ru4 -","4","2","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Some binding modes of 2-aminopyridine to ruthenium(ii) fragments","Dalton Transactions","2003","","11","2329","","10.1039/b302416d","","","0.71073","MoKα","","0.057","0.0438","","","0.1025","0.1078","","","","","","1.003","","","","has coordinates","179832","2020-10-21","18:00:00",""
"7012959","7.7448","0.0003","5.5407","0.0003","13.772","0.0004","90","","94.666","0.002","90","","589.02","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H18 S2 Te -","- C9 H18 S2 Te -","- C18 H36 S4 Te2 -","2","1","","Hesford, Matthew J.; Levason, William; Matthews, Melissa L.; Orchard, Simon D.; Reid, Gillian","Synthesis, characterisation and coordinating properties of the small ring S2Te-donor macrocycles [9]aneS2Te, [11]aneS2Te and [12]aneS2Te","Dalton Transactions","2003","","12","2434","","10.1039/b302985a","","","0.71073","MoKα","","0.0315","0.031","","0.038","","0.038","","","1.171","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012979","12.74","0.003","14.466","0.003","15.247","0.003","90","","93.55","0.03","90","","2804.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N4 P V -","- C29 H45 N4 P V -","- C116 H180 N16 P4 V4 -","4","2","","Neculai, Dante; Mirela Neculai, Ana; Roesky, Herbert W.; Herbst-Irmer, Regine; Walfort, Bernhard; Stalke, Dietmar","Vanadium complexes incorporating the ?-diketiminato ligand L. Syntheses and structures of LV(OSO2CF3)2 and LVPPh2","Dalton Transactions","2003","","14","2831","","10.1039/b303196a","","","1.54178","CuKα","","0.0264","0.0264","","","0.0647","0.0648","","","","","","1.153","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013002","8.59","0.002","11.754","0.003","12.725","0.003","90","","103.509","0.004","90","","1249.3","0.5","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 N8 Ni O6 -","- C20 H42 N8 Ni O6 -","- C40 H84 N16 Ni2 O12 -","2","1","","Comba, Peter; DeIuliis, Geoffry N.; Lawrance, Geoffrey A.; Luther, Stephan M.; Maeder, Marcel; Nolan, Annette L.; Robertson, Mark J.; Turner, Peter","Geometrical isomerism in octahedral complexes arising from the presence of a fused ring on a triaza macrocycle","Dalton Transactions","2003","","11","2188","","10.1039/b303515h","","","0.71069","MoKα","","0.0294","0.0258","","","0.0616","0.0634","","","","","","1.011","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013029","15.8751","0.0018","8.437","0.001","20.658","0.002","90","","111.474","0.002","90","","2574.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20.125 H20.125 Cl3.375 N6 O P -","- C20.125 H19.875 Cl3.385 N6 O P -","- C80.5 H79.5 Cl13.54 N24 O4 P4 -","4","2","","Zhang, Qingzhi; Hua, Guoxiong; Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and coordination chemistry of aminophosphine derivatives of adenineElectronic supplementary information (ESI) available: Preparation of all compounds apart from L1 and complex 11; Tables S1?S8: NMR spectral data of all the compounds. See http://www.rsc.org/suppdata/dt/b3/b303715k","Dalton Transactions","2003","","16","3250","","10.1039/b303715k","","","0.71073","MoKα","","0.211","0.078","","","0.1722","0.2201","","","","","","0.858","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013044","11.143","0.009","17.542","0.002","13.495","0.006","90","","100.318","0.015","90","","2595","2","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C52 H44 Cu2 N4 O12 -","- C52 H44 Cu2 N4 O12 -","- C104 H88 Cu4 N8 O24 -","2","1","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71073","MoKa","","0.176","0.075","","","0.156","0.2","","","","","","0.884","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013045","4.989","0.005","22.735","0.005","16.938","0.005","90","","96.59","0.005","90","","1908","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H44 Cu2 N2 O16 -","- C38 H44 Cu2 N2 O16 -","- C76 H88 Cu4 N4 O32 -","2","1","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71069","MoKα","","0.0995","0.0485","","","0.1047","0.1386","","","","","","1.021","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013050","10.943","0.002","12.892","0.003","12.249","0.002","90","","91.84","0.03","90","","1727.2","0.6","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Na(DCCAMPTMS)(DME)2]","","","- C30 H57 N4 Na O4 Si -","- C30 H57 N4 Na O4 Si -","- C60 H114 N8 Na2 O8 Si2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","Pyridyl donor induced 1,3-silyl migration in metal complexes of the guanidine CyHNC{N(SiMe3)Py}NCy, Py = 2-(6-MeC5H3N)","Dalton Transactions","2003","","11","2109","","10.1039/b303772j","","","0.71073","MoKα","","0.1371","0.0593","","","0.0985","0.1219","","","","","","0.943","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013159","13.0708","0.0013","24.8098","0.0018","19.2494","0.0018","90","","103.903","0.004","90","","6059.4","0.9","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","Tetrakis(mu-2-S- phenylbutyrate)bis(hydoridotris(pyrazolyl)borate) didysprosium(iii)","Tetrakis(μ-2-S-phenylbutyrate)bis(hydoridotris(pyrazolyl)borate) didysprosium(III)","","- C58 H64 B2 Dy2 N12 O8 -","- C58 H64 B2 Dy2 N12 O8 -","- C232 H256 B8 Dy8 N48 O32 -","4","2","","Subhan, Md. Abdus; Suzuki, Takayoshi; Fuyuhiro, Akira; Kaizaki, Sumio","Synthesis, X-ray structures and NIR chiroptical properties of a series of dinuclear lanthanide(iii) complexes [Ln2{�-(S- or RS-pba)}4(HBpz3)2]; novel configurational chirality due to non-bonding Ln?O interactionsElectronic supplementary information (ESI) available: ORTEP views of [Ln2{�-(RS-pba)}4(HBpz3)2] (Ln = Yb, Dy, Gd or Nd) and [Dy2{�-(S-pba)}4(HBpz3)2]; NIR and CD spectra of [Ln2{�-(S-pba)}4(HBpz3)2] (Ln = Ho, Dy or Nd); MCD spectra of [Ln2{�-(RS-pba)}4(HBpz3)2] (Ln = Ho, Dy or Nd). See http://www.rsc.org/suppdata/dt/b3/b304928k/","Dalton Transactions","2003","","19","3785","","10.1039/b304928k","","","0.7107","MoKα","","0.1299","0.0925","","","0.1566","0.1724","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013216","9.6388","0.0015","12.2386","0.0015","13.241","0.002","90","","111.083","0.013","90","","1457.4","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H8 Bi F15 N2 S3 -","- C28 H8 Bi F15 N2 S3 -","- C56 H16 Bi2 F30 N4 S6 -","2","1","","Anderson, Kirsty M.; Baylies, Christian J.; Monowar Jahan, A. H. M.; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Jonathan","Coordination complexes of the bismuth(iii) thiolates Bi(SC6F5)3 and Bi(SC6Cl5)3 with pyridine ligands","Dalton Transactions","2003","","16","3270","","10.1039/b305711a","","","0.71073","MoKα","","0.054","0.0354","","","0.0577","0.0604","","","","","","0.824","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013223","10.8717","0.0015","6.3706","0.0008","23.31","0.005","90","","91.034","0.012","90","","1614.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","trans-(Co(6-(anthracen-9-ylmethyl)-1,4,8,11- tetraazacyclotetradecane)Cl2) Cl.4H2O","trans-[Co(6-(anthracen-9-ylmethyl)-1,4,8,11-tetraazacyclotetradecane)Cl2] Cl.4H2O","","- C25 H44 Cl3 Co N4 O5 -","- C25 H34 Cl3 Co N4 O5 -","- C50 H68 Cl6 Co2 N8 O10 -","2","1","","Funston, Alison M.; Ghiggino, Kenneth P.; Grannas, Martin J.; David McFadyen, W.; Tregloan, Peter A.","Synthesis, structural studies and photochemistry of cobalt(iii) complexes of anthracenylcyclam macrocyclesElectronic supplementary information (ESI) available: Selected bond lengths and angles and ORTEP diagrams for compound 8 and complexes [Co(3)Cl2]Cl�4H2O, [Co(12)Cl2] and [Co(2)Cl2]Cl�0.5CH3OH. See http://www.rsc.org/suppdata/dt/b3/b305773a/","Dalton Transactions","2003","","19","3704","","10.1039/b305773a","","","0.71073","MoKα","","0.1103","0.0665","","","0.1584","0.1843","","","","","","1.087","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013246","4.978","0.0002","7.61","0.0003","8.391","0.0003","90","","94.75","0.003","90","","316.78","0.02","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","HL*HCl (L = (H2NCH2)2P(O)OH )","HL*HCl (L = (H2NCH2)2P(O)OH )","","- C2 H10 Cl N2 O2 P -","- C2 H10 Cl N2 O2 P -","- C4 H20 Cl2 N4 O4 P2 -","2","1","","Vojtěch Kubíček; Pavel Vojtíšek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Complexes of divalent transition metal ions with bis(aminomethyl)phosphinic acid in aqueous solution and in the solid state","Dalton Trans.","2003","","20","3927","3938","10.1039/b305844a","","","0.7107","MoKα","","0.0272","0.0242","","","0.0586","0.0602","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013267","12.2573","0.0001","7.1473","0.0001","14.4914","0.0002","90","","113.255","0.0004","90","","1166.4","0.03","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl N O10 -","- C21 H24 Cl N O10 -","- C42 H48 Cl2 N2 O20 -","2","1","","Jin Zhao; Xiangge Zhou; Ana M. Santos; Eberhardt Herdtweck; Carlos C. Romão; Fritz E. Kühn","Molybdenum(VI)cis-dioxo complexes bearing sugar derived chiral Schiff-base ligands: synthesis, characterization, and catalytic applications","Dalton Trans.","2003","","19","3736","3742","10.1039/b306039j","","","0.71073","MoKα","","0.0269","0.0267","","","0.0712","0.0714","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013334","14.068","0.003","9.243","0.002","15.487","0.002","90","","115.25","0.01","90","","1821.4","0.6","301.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl8 Rh2 S2 -","- C26 H42 Cl8 Rh2 S2 -","- C52 H84 Cl16 Rh4 S4 -","2","1","","Yamamoto, Yasuhiro; Sakamoto, Shinobu; Ohki, Yuka; Usuzawa, Akihiro; Fujita, Masanori; Mochida, Tomoyuki","Preparation and characterization of rhodium(iii), iridium(iii) and ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary information (ESI) available: Crystal data and ORTEP figures for 2b, 2ab and 3c and further experimental details. See http://www.rsc.org/suppdata/dt/b3/b306496d/","Dalton Transactions","2003","","18","3534","","10.1039/b306496d","","","0.7107","MoKα","","","0.0392","","","","0.1112","","","","","","1.43","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013336","14.086","0.003","9.253","0.003","15.513","0.002","90","","115.36","0.01","90","","1827.1","0.8","300.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl8 Ir Rh S2 -","- C26 H42 Cl8 Ir Rh S2 -","- C52 H84 Cl16 Ir2 Rh2 S4 -","2","1","","Yamamoto, Yasuhiro; Sakamoto, Shinobu; Ohki, Yuka; Usuzawa, Akihiro; Fujita, Masanori; Mochida, Tomoyuki","Preparation and characterization of rhodium(iii), iridium(iii) and ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary information (ESI) available: Crystal data and ORTEP figures for 2b, 2ab and 3c and further experimental details. See http://www.rsc.org/suppdata/dt/b3/b306496d/","Dalton Transactions","2003","","18","3534","","10.1039/b306496d","","","0.7107","MoKα","","","0.0589","","","","0.1491","","","","","","1.244","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013337","8.796","0.003","15.317","0.003","13.054","0.004","90","","98.76","0.03","90","","1738.2","0.9","300.3","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 Cl2 Rh S2 -","- C14 H23 Cl2 Rh S2 -","- C56 H92 Cl8 Rh4 S8 -","4","2","","Yamamoto, Yasuhiro; Sakamoto, Shinobu; Ohki, Yuka; Usuzawa, Akihiro; Fujita, Masanori; Mochida, Tomoyuki","Preparation and characterization of rhodium(iii), iridium(iii) and ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary information (ESI) available: Crystal data and ORTEP figures for 2b, 2ab and 3c and further experimental details. See http://www.rsc.org/suppdata/dt/b3/b306496d/","Dalton Transactions","2003","2003","18","3534","","10.1039/b306496d","","","0.7107","MoKα","","","0.033","","","","0.099","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013349","10.5577","0.0001","28.762","0.0004","13.8326","0.0002","90","","102.457","0.001","90","","4101.53","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H40 F12 P4 Pt S3 -","- C34 H40 F12 P4 Pt S3 -","- C136 H160 F48 P16 Pt4 S12 -","4","2","","Grant, Gregory J.; Pool, Jaime A.; VanDerveer, Donald G.","Chiral effects on a fluxional ligand: chiral diphosphine platinum(ii) complexes with thiacrowns","Dalton Transactions","2003","","20","3981","","10.1039/b306663k","","","0.71073","MoKα","","0.0498","0.0413","","","0.0927","0.1015","","","","","","0.986","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013367","10.3021","0.0002","22.5573","0.0004","12.4212","0.0002","90","","101.063","0.0008","90","","2832.89","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53.5 H75 Cl2 O2.5 P2 Pd2 -","- C53.5 H72 Cl2 O2.5 P2 Pd2 -","- C107 H144 Cl4 O5 P4 Pd4 -","2","1","","Malik, K. M. Abdul; Newman, Paul D.","Ligand ambivalence in pallada(platina)cyclic complexes of a rigid phosphine","Dalton Transactions","2003","","18","3516","","10.1039/b307070k","","","0.71073","MoKα","","0.0549","0.0438","","","0.1065","0.1233","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013368","10.3287","0.0002","22.5278","0.0005","12.4452","0.0003","90","","101.05","0.0011","90","","2842.1","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53.5 H75 Cl2 O2.5 P2 Pt2 -","- C53.5 H75 Cl2 O2.5 P2 Pt2 -","- C107 H150 Cl4 O5 P4 Pt4 -","2","1","","Malik, K. M. Abdul; Newman, Paul D.","Ligand ambivalence in pallada(platina)cyclic complexes of a rigid phosphine","Dalton Transactions","2003","","18","3516","","10.1039/b307070k","","","0.71073","MoKα","","0.0542","0.0494","","","0.133","0.1513","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013390","16.0103","0.0007","28.0794","0.0013","17.3614","0.0007","90","","93.889","0.005","90","","7787","0.6","200","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C141 H131 F18 N21 O31 S6 Tb2 -","- C141 H129 F18 N21 O31 S6 Tb2 -","- C282 H258 F36 N42 O62 S12 Tb4 -","2","1","","Thierry Le Borgne; Jean-Marc Bénech; Sébastien Floquet; Gérald Bernardinelli; Christian Aliprandini; Philippe Bettens; Claude Piguet","Monometallic lanthanide complexes with tridentate 2,6-dicarboxamidopyridine ligands. Influence of peripheral substitutions on steric congestion and antenna effect","Dalton Trans.","2003","","20","3856","3868","10.1039/b307413g","","","0.71073","MoKα","","","0.041","","","","0.042","","","","","","1.506","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013417","13.4444","0.0001","10.1827","0.0001","13.5174","0.0001","90","","116.695","0.001","90","","1653.29","0.03","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H15 Au Cl N2 O4.5 S -","- C14 H15 Au Cl N2 O4.5 S -","- C56 H60 Au4 Cl4 N8 O18 S4 -","4","2","","Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Vittal, Jagadese J.; Foo Lee, Peng","Synthesis, characterization, and biological activities of 2-phenylpyridine gold(iii) complexes with thiolate ligandsElectronic supplementary information (ESI) available: ESMS data. See http://www.rsc.org/suppdata/dt/b3/b307610e/","Dalton Transactions","2003","","17","3376","","10.1039/b307610e","","","0.71073","MoKα","","0.0357","0.0316","","","0.0657","0.0669","","","","","","0.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013433","10.597","0.002","8.445","0.002","12.674","0.003","90","","96.2","0.03","90","","1127.6","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl3 N2 O P Re S -","- C20 H19 Cl3 N2 O P Re S -","- C40 H38 Cl6 N4 O2 P2 Re2 S2 -","2","1","","Sengupta, Suman; Gangopadhyay, Jaydip; Chakravorty, Animesh","Tertiary phosphine binding to pyridylazole chelated rhenium via substitution in phosphine oxide precursors: geometrical preference, twin isomerization and effects of diphosphine spacer length and metal oxidation state","Dalton Transactions","2003","","24","4635","","10.1039/b307834e","","","0.71073","MoKα","","0.029","0.0281","","0.0707","0.0694","","","","1.032","1.027","1.027","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013453","12.138","0.0002","16.952","0.0003","18.008","0.0004","90","","95.772","0.001","90","","3686.6","0.12","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H90 Cl6 F12 N2 Pt -","- C70 H90 Cl6 F12 N2 Pt -","- C140 H180 Cl12 F24 N4 Pt2 -","2","1","","José Benito; Jesús R. Berenguer; Juan Forniés; Belén Gil; Julio Gómez; Elena Lalinde","Synthesis, characterization and luminescence properties of homoleptic platinum(II) acetylide complexes","Dalton Trans.","2003","","22","4331","4339","10.1039/b308291a","","","0.7107","MoKα","","0.0464","0.0403","","","0.0925","0.0954","","","","","","1.058","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7013455","13.5652","0.0002","17.1763","0.0003","14.2647","0.0003","90","","105.22","0.001","90","","3207.1","0.1","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H97 Cl0 N7 O2 Pt -","- C67 H95 N7 O2 Pt -","- C134 H190 N14 O4 Pt2 -","2","1","","José Benito; Jesús R. Berenguer; Juan Forniés; Belén Gil; Julio Gómez; Elena Lalinde","Synthesis, characterization and luminescence properties of homoleptic platinum(II) acetylide complexes","Dalton Trans.","2003","","22","4331","4339","10.1039/b308291a","","","0.71073","MoKα","","0.0565","0.0414","","","0.0774","0.083","","","","","","1.031","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7013460","7.7509","0.0001","17.4206","0.0002","9.714","0.0005","90","","102.218","0.001","90","","1281.93","0.07","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","(NiCl2(R,R-chiraphos))","[NiCl2(R,R-chiraphos)]","","- C28 H28 Cl2 Ni P2 -","- C28 H28 Cl2 Ni P2 -","- C56 H56 Cl4 Ni2 P4 -","2","1","","Claudio Bianchini; Luca Gonsalvi; Werner Oberhauser; David Sémeril; Peter Brüggeller; Rene Gutmann","Schulz‒Flory oligomerisation of ethylene by the binuclear nickel(II) complex Ni2Cl4[cis,trans,cis-1,2,3,4-tetrakis-(diphenylphosphino)cyclobutane]","Dalton Trans.","2003","","20","3869","3875","10.1039/b308388h","","","0.71073","MoKα","","0.0299","0.0165","","","0.0434","0.053","","","","","","1.025","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013477","10.832","0.005","7.288","0.004","13.925","0.008","90","","112.824","0.012","90","","1013.2","0.9","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Cl2 Cu N4 O8 -","- C15 H22 Cl2 Cu N4 O8 -","- C30 H44 Cl4 Cu2 N8 O16 -","2","1","","Herrera, Aida M.; Kalayda, Ganna V.; Disch, Jeremy S.; Wikstrom, Jeffrey P.; Korendovych, Ivan V.; Staples, Richard J.; Campana, Charles F.; Nazarenko, Alexander Y.; Haas, Terry E.; Rybak-Akimova, Elena V.","Reactions at the azomethine C?N bonds in the nickel(ii) and copper(ii) complexes of pyridine-containing Schiff-base macrocyclic ligandsElectronic supplementary information (ESI) available: Figs. S1?S5: MALDI mass spectra, UV-Vis traces and X-ray structures. See http://www.rsc.org/suppdata/dt/b3/b308557k/","Dalton Transactions","2003","","23","4482","","10.1039/b308557k","","","0.71073","MoKα","","0.0653","0.0547","","","0.1362","0.1451","","","","","","1.051","","","","has coordinates,has disorder","179838","2020-10-21","18:00:00",""
"7013582","7.9053","0.0016","18.003","0.004","11.724","0.002","90","","91.68","0.03","90","","1667.8","0.6","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 N7 O16 Rh2 S2 -","- C23 H35 N7 O16 Rh2 S2 -","- C46 H70 N14 O32 Rh4 S4 -","2","1","","Helen T. Chifotides; Jennifer S. Hess; Alfredo M. Angeles-Boza; José Ramón Galán-Mascarós; Karn Sorasaenee; Kim R. Dunbar","Structural evidence for monodentate binding of guanine to the dirhodium(II,II) core in a manner akin to that of cisplatin","Dalton Trans.","2003","","23","4426","4430","10.1039/b310209b","","","0.71073","MoKα","","0.0551","0.0437","","","0.0769","0.0801","","","","","","1.011","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013672","11.2488","0.0004","26.3679","0.0007","27.9714","0.0011","90","","94.361","0.003","90","","8272.5","0.5","153","2","153","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C77.5 H96 Cl5 F12 Fe N6 O6.5 P2 -","- C77.5 H96 Cl5 F12 Fe N6 O6.5 P2 -","- C310 H384 Cl20 F48 Fe4 N24 O26 P8 -","4","2","","Hamann, Christine; Von Zelewsky, Alexander; Neels, Antonia; Stoeckli-Evans, Helen","Diastereoselective synthesis of coordination compounds: a chiral tripodal ligand based on bipyridine units and its ruthenium(II) and iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","402","406","10.1039/b311693j","","","0.71073","MoKα","","0.0691","0.0611","","","0.1613","0.169","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013692","8.1295","0.0008","17.782","0.002","10.41","0.001","90","","94.916","0.005","90","","1499.3","0.3","173.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H21 Cl2 N5 O12 Ru -","- C27 Cl2 N5 O12 Ru -","- C54 Cl4 N10 O24 Ru2 -","2","1","","Fujihara, Tetsuaki; Wada, Tohru; Tanaka, Koji","Acid-base equilibria of various oxidation states of aqua-ruthenium complexes with 1,10-phenanthroline-5,6-dione in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2004","","4","645","652","10.1039/b312310c","","","0.7107","MoKα","","","0.071","","","","0.1926","","","","","","1.662","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013764","10.4403","0.0001","15.9672","0.0001","18.5576","0.0003","90","","95.29","0.001","90","","3080.42","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H42 O2 Si2 Yb -","- C30 H42 O2 Si2 Yb -","- C120 H168 O8 Si8 Yb4 -","4","2","","Zhang, Kehua; Zhang, Wu; Wang, Shaowu; Sheng, Enhong; Yang, Gaosheng; Xie, Meihua; Zhou, Shuangliu; Feng, Yan; Mao, Lili; Huang, Zixiang","Homolysis of the Ln-N (Ln = Yb, Eu) bond. Synthesis, structural characterization and catalytic activity of ytterbium(II) and europium(II) complexes with methoxyethyl functionalized indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1029","1037","10.1039/b314115b","","","0.71073","MoKα","","0.0516","0.0417","","","0.0818","0.0877","","","","","","1.058","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013766","10.5365","0.0003","16.2922","0.0005","18.6379","0.0006","90","","95.445","0.001","90","","3185","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H42 Eu O2 Si2 -","- C30 H42 Eu O2 Si2 -","- C120 H168 Eu4 O8 Si8 -","4","2","","Zhang, Kehua; Zhang, Wu; Wang, Shaowu; Sheng, Enhong; Yang, Gaosheng; Xie, Meihua; Zhou, Shuangliu; Feng, Yan; Mao, Lili; Huang, Zixiang","Homolysis of the Ln-N (Ln = Yb, Eu) bond. Synthesis, structural characterization and catalytic activity of ytterbium(II) and europium(II) complexes with methoxyethyl functionalized indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1029","1037","10.1039/b314115b","","","0.71073","MoKα","","0.048","0.0397","","","0.0786","0.085","","","","","","1.133","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013773","10.313","0.001","17.431","0.001","12.472","0.001","90","","92.09","0.01","90","","2240.5","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H64 Cl2 Mo2 O6 -","- C45 H64 Cl2 Mo2 O6 -","- C90 H128 Cl4 Mo4 O12 -","2","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0878","0.0639","","","0.1346","0.148","","","","","","1.021","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013839","7.2393","0.0006","10.7555","0.0009","7.513","0.0006","90","","94.407","0.001","90","","583.25","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium polymeric diperoxo malato oxomolybdenum(VI)","","","- C4 H6 K2 Mo O11 -","- C4 H6 K2 Mo O11 -","- C8 H12 K4 Mo2 O22 -","2","1","","Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin","Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1393","1399","10.1039/b315280d","","","0.71073","MoKα","","0.036","0.0346","","","0.0777","0.0785","","","","","","1.031","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013903","9.434","0.002","18.936","0.004","15.324","0.004","90","","106.405","0.004","90","","2626.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C66 H58 P4 Ru2 -","- C66 H58 P4 Ru2 -","- C132 H116 P8 Ru4 -","2","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.057","0.048","","0.057","","0.055","","","1.145","","","1.187","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014011","9.153","0.0002","19.1733","0.0004","11.5265","0.0003","90","","99.595","0.001","90","","1994.52","0.08","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","[Y(CH2Ph)(thf)2{C6H3iPr2N(CH2)3NC6H3iPr2}]","","","- C42 H63 N2 O2 Y -","- C42 H63 N2 O2 Y -","- C84 H126 N4 O4 Y2 -","2","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.0524","0.0422","","","0.0916","0.097","","","","","","1.041","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014012","11.0609","0.0004","17.1207","0.0006","11.3288","0.0004","90","","106.524","0.002","90","","2056.74","0.13","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","[Y(thf){N(SiMe3)2}{C6H3iPr2N(CH2)3NC6H3iPr2}]","","","- C37 H66 N3 O Si2 Y -","- C37 H66 N3 O Si2 Y -","- C74 H132 N6 O2 Si4 Y2 -","2","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.0958","0.1009","","","","","","1.03","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014063","7.737","0.001","16.171","0.001","9.984","0.001","90","","93.38","0.01","90","","1247","0.2","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl4 N O2 Ru -","- C25 H25 Cl4 N O2 Ru -","- C50 H50 Cl8 N2 O4 Ru2 -","2","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","mokα","","0.0364","0.0361","","","0.0954","0.0957","","","","","","1.091","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7014065","14.8561","0.0006","16.772","0.0007","20.3864","0.0009","90","","99.774","0.001","90","","5005.9","0.4","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H61 B N O2 P Ru -","- C63 H61 B N O2 P Ru -","- C252 H244 B4 N4 O8 P4 Ru4 -","4","2","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.075","0.0457","","","0.072","0.0927","","","","","","0.76","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014070","9.8386","0.0011","15.0001","0.0017","11.1318","0.0013","90","","104.66","0.002","90","","1589.3","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H39 Cl Li N4 O2 P -","- C32 H39 Cl Li N4 O2 P -","- C64 H78 Cl2 Li2 N8 O4 P2 -","2","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.0319","0.0299","","","0.0733","0.074","","","","","","1.024","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014156","8.181","0.003","35.49","0.007","8.395","0.002","90","","95.35","0.02","90","","2426.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N8 O6 Rh -","- C19 H27 N8 O6 Rh -","- C76 H108 N32 O24 Rh4 -","4","2","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0598","0.0542","","","0.1447","0.1519","","","","","","1.046","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014188","7.9533","0.0001","14.0747","0.0002","9.3338","0.0001","90","","112.967","0.001","90","","962","0.02","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 Au Br3 P -","- C18 H15 Au Br3 P -","- C36 H30 Au2 Br6 P2 -","2","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0198","0.0196","","","0.051","0.0512","","","","","","1.011","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014251","7.478","0.002","16.096","0.005","10.468","0.003","90","","98.084","0.004","90","","1247.5","0.6","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","Complex 6","","","- C14 H12 Cu2 N8 O14 S2 -","- C14 H12 Cu2 N8 O14 S2 -","- C28 H24 Cu4 N16 O28 S4 -","2","1","","Zampese, Jennifer A.; Keene, F. Richard; Steel, Peter J.","Diastereoisomeric dinuclear ruthenium complexes of 2,5-di(2-pyridyl)thiazolo[5,4-d]thiazole.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4124","4129","10.1039/b412344a","","","0.71073","MoKα","","0.048","0.0363","","","0.0877","0.0913","","","","","","1.001","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014373","11.798","0.0001","31.288","0.0002","20.6198","0.0002","90","","100.3","0.0003","90","","7488.85","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H102 Al2 Cl4 N4 O6 -","- C80 H102 Al2 Cl4 N4 O6 -","- C320 H408 Al8 Cl16 N16 O24 -","4","2","","George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng","Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1751","1757","10.1039/c0dt00661k","","x-ray","0.71073","MoKα","","0.0986","0.0855","","","0.2321","0.2457","","","","","","1.038","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014428","9.5051","0.0001","16.2268","0.0001","13.0872","0.0001","90","","95.074","0.001","90","","2010.63","0.03","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(Acetonitrile)(dichloro)(nitrosyl)bis(tricyclohexylphosphane)rhenium(I)","","- C38 H69 Cl2 N2 O P2 Re -","- C38 H69 Cl2 N2 O P2 Re -","- C76 H138 Cl4 N4 O2 P4 Re2 -","2","1","","Jiang, Yanfeng; Blacque, Olivier; Berke, Heinz","Probing the catalytic potential of chloro nitrosyl rhenium(i) complexes","Dalton Transactions","2011","40","11","2578","","10.1039/c0dt00842g","","","0.71073","MoKα","","0.0351","0.0296","","","0.0635","0.0658","","","","","","1.036","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014448","10.515","0.003","12.939","0.003","13.888","0.004","90","","95.035","0.006","90","","1882.2","0.9","250","2","250","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H37 Cl6 Nb O P Si2 Ta -","- C29 H37 Cl6 Nb O P Si2 Ta -","- C58 H74 Cl12 Nb2 O2 P2 Si4 Ta2 -","2","1","","Reguillo-Carmona, R.; Antiñolo, A.; García-Yuste, S.; López-Solera, I.; Otero, A.","Lewis base character of the phosphorus atom in phosphanido-niobocene complexes. Synthesis of new early‒early homo- and heterobimetallic entities","Dalton Transactions","2011","40","11","2622","","10.1039/c0dt00865f","","","0.71073","MoKα","","0.1064","0.0689","","","0.1283","0.1488","","","","","","1.025","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014456","14.733","0.009","8.778","0.005","17.409","0.011","90","","104.966","0.01","90","","2175","2","113.1","","113.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H60 Mo N2 O S4 -","- C44 H60 Mo N2 O S4 -","- C88 H120 Mo2 N4 O2 S8 -","2","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.71075","MoKα","","","0.0443","","","","0.1097","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014549","11.4165","0.0008","34.409","0.002","11.6256","0.0008","90","","107.41","0.001","90","","4357.7","0.5","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H47 B10 Cl2 Co Fe2 O2 S2 -","- C39 H47 B10 Cl2 Co Fe2 O2 S2 -","- C156 H188 B40 Cl8 Co4 Fe8 O8 S8 -","4","2","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0805","0.0588","","","0.1342","0.1397","","","","","","1.145","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014681","10.0607","0.0003","8.3977","0.0004","17.5907","0.0006","90","","95.1177","0.0007","90","","1480.26","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Mo O3 Si2 -","- C31 H40 Mo O3 Si2 -","- C62 H80 Mo2 O6 Si4 -","2","1","","Komuro, Takashi; Begum, Rockshana; Ono, Rikima; Tobita, Hiromi","Synthesis and characterisation of hydrido molybdenum and tungsten complexes having a hemilabile tridentate Si,Si,O-ligand: observation of stepwise hydrosilylation of a nitrile to form an N-silylimine on the metal centre.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2348","2357","10.1039/c0dt01047b","","","0.71069","MoKα","","0.0491","0.0421","","","0.1099","0.1171","","","","","","1.196","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014792","13.7874","0.001","9.621","0.0007","21.4447","0.0015","90","","107.12","0.001","90","","2718.6","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O2 P Pd S3 -","- C27 H25 Cl N O2 P Pd S3 -","- C108 H100 Cl4 N4 O8 P4 Pd4 S12 -","4","2","","Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1535","1546","10.1039/c0dt01154a","","","0.71073","MoKα","","0.0321","0.027","","","0.0445","0.0457","","","","","","1","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014793","13.7922","0.0009","9.6927","0.0006","21.3471","0.0013","90","","107.334","0.001","90","","2724.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O2 P Pt S3 -","- C27 H25 Cl N O2 P Pt S3 -","- C108 H100 Cl4 N4 O8 P4 Pt4 S12 -","4","2","","Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1535","1546","10.1039/c0dt01154a","","","0.71073","MoKα","","0.0283","0.0259","","","0.0568","0.0577","","","","","","1.01","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014808","9.3421","0.0002","23.3274","0.0005","13.6888","0.0004","90","","104.304","0.002","90","","2890.68","0.12","95","2","95","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H71 Co K N7 O11 -","- C60 H71 Co K N7 O11 -","- C120 H142 Co2 K2 N14 O22 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0584","0.046","","","0.0904","0.0932","","","","","","0.976","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014809","15.5438","0.001","13.1192","0.0009","26.7367","0.0017","90","","99.309","0.003","90","","5380.4","0.6","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H66 Fe K N6 O10 -","- C58 H66 Fe K N6 O10 -","- C232 H264 Fe4 K4 N24 O40 -","4","2","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.1895","0.0922","","","0.141","0.1766","","","","","","1.136","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014810","9.8734","0.0002","17.1654","0.0003","12.484","0.0002","90","","95.238","0.002","90","","2106.96","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H46 Co K N6 O5 -","- C47 H46 Co K N6 O5 -","- C94 H92 Co2 K2 N12 O10 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0505","0.035","","","0.0723","0.0748","","","","","","0.942","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014811","10.5953","0.0002","16.0147","0.0002","11.11937","0.00018","90","","106.568","0.0019","90","","1808.41","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 Co K N6 O11 -","- C30 H48 Co K N6 O11 -","- C60 H96 Co2 K2 N12 O22 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0378","0.0336","","","0.0793","0.0803","","","","","","1.006","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014813","9.5854","0.0001","25.4527","0.0003","9.7448","0.0001","90","","113.302","0.002","90","","2183.56","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 Co N6 O10 S4 -","- C40 H54 Co N6 O10 S4 -","- C80 H108 Co2 N12 O20 S8 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","1.54178","CuKα","","0.0319","0.0304","","","0.0802","0.0808","","","","","","1.093","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014828","14.338","0.003","14.612","0.003","15.122","0.003","90","","103.05","0.03","90","","3086.3","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H58 Al2 N4 O2 -","- C48 H58 Al2 N4 O2 -","- C96 H116 Al4 N8 O4 -","2","1","","Sun, Wen-Hua; Shen, Miao; Zhang, Wenjuan; Huang, Wei; Liu, Shaofeng; Redshaw, Carl","Methylaluminium 8-quinolinolates: synthesis, characterization and use in ring-opening polymerization (ROP) of ε-caprolactone","Dalton Transactions","2011","40","11","2645","","10.1039/c0dt01207f","","","0.71073","MoKα","","0.1245","0.0939","","","0.2406","0.2637","","","","","","0.985","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014855","20.6789","0.0018","7.4435","0.0004","25.026","0.002","90","","106.542","0.007","90","","3692.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H51.5 Mn N5 O8.75 -","- C32 H48 Mn N5 O8.75 -","- C128 H192 Mn4 N20 O35 -","4","2","","Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin","Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1855","1865","10.1039/c0dt01222j","","","0.71073","MoKα","","0.2028","0.1163","","","0.2808","0.3279","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014862","11.68","0.0018","13.465","0.002","13.696","0.002","90","","108.561","0.002","90","","2041.9","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H52 N5 Nb O2 -","- C46 H52 N5 Nb O2 -","- C92 H104 N10 Nb2 O4 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0334","0.0295","","","0.0673","0.0682","","","","","","1.014","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014863","11.687","0.002","13.451","0.003","13.686","0.003","90","","108.63","0.03","90","","2038.7","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H52 N5 O2 Ta -","- C46 H52 N5 O2 Ta -","- C92 H104 N10 O4 Ta2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71073","MoKα","","0.0359","0.0351","","","0.0843","0.0849","","","","","","1.116","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014864","11.934","0.002","14.079","0.003","13.534","0.002","90","","111.011","0.009","90","","2122.8","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 N5 Nb O2 -","- C46 H60 N5 Nb O2 -","- C92 H120 N10 Nb2 O4 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54187","CuKα","","0.0396","0.0366","","","0.0997","0.1236","","","","","","1.18","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014865","11.832","0.002","14.325","0.003","13.481","0.003","90","","111.28","0.03","90","","2129.1","0.9","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 N5 O2 Ta -","- C46 H60 N5 O2 Ta -","- C92 H120 N10 O4 Ta2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0398","0.0349","","","0.0849","0.086","","","","","","0.936","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014869","11.605","0.003","10.657","0.002","13.937","0.002","90","","92.275","0.014","90","","1722.3","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 N4 O2 V -","- C38 H46 N4 O2 V -","- C76 H92 N8 O4 V2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0598","0.0594","","","0.1941","0.1945","","","","","","1.213","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014876","16.237","0.005","10.878","0.003","21.013","0.006","90","","98.074","0.006","90","","3674.7","1.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C89 H94 N6 O2 V -","- C89 H94 N6 O2 V -","- C178 H188 N12 O4 V2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0629","0.0534","","","0.1265","0.133","","","","","","1.044","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014939","9.943","0.002","21.275","0.004","13.874","0.003","90","","107.19","0.03","90","","2803.8","1.1","298","2","298","2","","","101.33","","","","synthesized by the authors","6","P 1 21 1","P 2yb","4","","","","- C27 H35 B Cu F4 N3 -","- C27 H35 B Cu F4 N3 -","- C108 H140 B4 Cu4 F16 N12 -","4","2","","Allen, John J.; Barron, Andrew R.","Demonstration of remote steric differentiation of cis/trans alkene coordination in copper(I) complexes of aryl-substituted bis(2-pyridyl)amine.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1189","1194","10.1039/c0dt01301c","","x-ray","0.71073","MoKα","","0.1712","0.0937","","","0.2139","0.235","","","","","","1.235","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7015019","9.6805","0.0011","17.37","0.0019","11.7004","0.0013","90","","98.877","0.002","90","","1943.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H54 N3 O Y -","- C42 H54 N3 O Y -","- C84 H108 N6 O2 Y2 -","2","1","","Lu, Erli; Gan, Wei; Chen, Yaofeng","Monoalkyl and monoanilide yttrium complexes containing tridentate pyridyl-1-azaallyl dianionic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2366","2374","10.1039/c0dt01539c","","","0.71073","MoKα","","0.0851","0.0503","","","0.0996","0.1071","","","","","","0.821","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015108","9.3783","0.0004","15.2216","0.0006","9.916","0.0004","90","","98.367","0.004","90","","1400.47","0.1","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H33 Cl2 Co N7 O8 -","- C22 H33 Cl2 Co N7 O8 -","- C44 H66 Cl4 Co2 N14 O16 -","2","1","","Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël","trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4514","4526","10.1039/c0dt01191f","","","0.71073","MoKα","","0.0272","0.0265","","","0.0664","0.0671","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015110","9.3651","0.0005","15.2293","0.0007","9.9392","0.0005","90","","98.296","0.004","90","","1402.73","0.12","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H33 Cl2 N7 O8 Zn -","- C22 H33 Cl2 N7 O8 Zn -","- C44 H66 Cl4 N14 O16 Zn2 -","2","1","","Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël","trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4514","4526","10.1039/c0dt01191f","","x-ray","0.71073","MoKα","","0.023","0.0226","","","0.058","0.0583","","","","","","1.083","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7015153","8.6756","0.001","14.178","0.0013","17.316","0.002","90","","93.068","0.008","90","","2126.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 N6 Ni O2 S2 -","- C18 H24 N6 Ni O2 S2 -","- C72 H96 N24 Ni4 O8 S8 -","4","2","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0312","0.0312","","","0.0912","0.0912","","","","","","1.193","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015266","11.0153","0.0005","22.6939","0.0009","11.5963","0.0005","90","","95.787","0.001","90","","2884.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O5 S Zn -","- C30 H38 N2 O5 S Zn -","- C120 H152 N8 O20 S4 Zn4 -","4","2","","Haak, Robert M.; Castilla, Ana M.; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Access to multinuclear salen complexes using olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3352","3364","10.1039/c0dt01411g","","","0.71073","MoKα","","0.0517","0.0455","","","0.1172","0.1216","","","","","","1.091","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015292","10.9857","0.0002","12.366","0.0002","14.5156","0.0004","90","","96.398","0.002","90","","1959.65","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H35 Ag Cl N5 O4 Pt2 S4 -","- C38 H35 Ag Cl N5 O4 Pt2 S4 -","- C76 H70 Ag2 Cl2 N10 O8 Pt4 S8 -","2","1","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0516","0.04","","","0.079","0.0816","","","","","","1.021","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015407","11.215","0.002","12.336","0.003","21.365","0.004","90","","100.37","0.03","90","","2907.5","1.1","200","2","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37.5 H95 B2 F8 O0.5 P6 Rh3 -","- C37.5 H74.76 B2 F8 O0.5 P6 Rh3 -","- C75 H149.52 B4 F16 O P12 Rh6 -","2","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0646","0.0473","","","0.1014","0.1054","","","","","","0.903","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015409","9.7263","0.0019","14.776","0.003","10.458","0.002","90","","107.72","0.03","90","","1431.7","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H48 B F4 O P2 Rh -","- C27 H48 B F4 O P2 Rh -","- C54 H96 B2 F8 O2 P4 Rh2 -","2","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0187","0.0184","","","0.05","0.0501","","","","","","1.034","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015427","18.42","0.0007","14.3984","0.0006","18.8098","0.0008","90","","97.43","0.001","90","","4946.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C103 H82 Cd4 N16 Ni4 O30 -","- C103 H76 Cd4 N16 Ni4 O30 -","- C206 H152 Cd8 N32 Ni8 O60 -","2","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.0354","0.031","","","0.0794","0.0832","","","","","","1.044","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015499","11.7654","0.0009","25.9552","0.0018","13.4362","0.0009","90","","110.883","0.001","90","","3833.5","0.5","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H90 N12 Nd2 O2 Si4 -","- C62 H90 N12 Nd2 O2 Si4 -","- C124 H180 N24 Nd4 O4 Si8 -","2","1","","Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Sánchez-Barba, Luis F; Castro-Osma, José A; Rodríguez, Ana M","Heteroscorpionate rare-earth initiators for the controlled ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4687","4696","10.1039/c0dt01678k","","","0.71073","MoKα","","0.0743","0.0542","","","0.1311","0.1445","","","","","","1","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015561","10.7861","0.0007","9.7891","0.0006","23.5135","0.0015","90","","95.187","0.001","90","","2472.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H58 Co2 N2 O2 -","- C66 H58 Co2 N2 O2 -","- C132 H116 Co4 N4 O4 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0482","0.0425","","","0.0944","0.097","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015562","14.1031","0.0008","12.7228","0.0007","16.6008","0.001","90","","109.272","0.001","90","","2811.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H60 Co2 N2 O4 Pd -","- C68 H60 Co2 N2 O4 Pd -","- C136 H120 Co4 N4 O8 Pd2 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0405","0.0382","","","0.0823","0.0833","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015563","14.0227","0.0011","12.1489","0.001","16.287","0.0013","90","","107.687","0.002","90","","2643.5","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H57 Cl Co2 N2 O2 Pd -","- C66 H56.99 Cl Co2 N2 O2 Pd -","- C132 H113.98 Cl2 Co4 N4 O4 Pd2 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0653","0.0514","","","0.0831","0.0873","","","","","","0.879","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015575","9.552","0.0002","27.025","0.001","10.151","0.0004","90","","97.143","0.002","90","","2600.07","0.15","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H24 Cu F6 N4 O6 S2 -","- C20 H24 Cu F6 N4 O6 S2 -","- C80 H96 Cu4 F24 N16 O24 S8 -","4","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0711","0.0462","","","0.0959","0.1061","","","","","","1.039","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015664","14.6245","0.0006","9.2633","0.0004","19.3704","0.0007","90","","102.744","0.003","90","","2559.49","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H22 Br2 Fe N P Zn -","- C27 H22 Br2 Fe N P Zn -","- C108 H88 Br8 Fe4 N4 P4 Zn4 -","4","2","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0198","0.0184","","","0.0457","0.0461","","","","","","1.043","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015704","10.0651","0.0006","6.0997","0.0004","16.8565","0.001","90","","91.991","0.012","90","","1034.26","0.11","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N4 S -","- C25 H19 N4 S -","- C50 H38 N8 S2 -","2","1","","Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin","The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4830","4833","10.1039/c1dt00020a","","","0.71073","MoKα","","0.0919","0.0657","","","0.1237","0.1336","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015721","8.3632","0.0012","11.6074","0.0017","9.7721","0.0014","90","","93.997","0.003","90","","946.3","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H17 Mn N5 O S2 -","- C16 H17 Mn N5 O S2 -","- C32 H34 Mn2 N10 O2 S4 -","2","1","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.0856","0.0696","","","0.1315","0.1384","","","","","","1.083","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015732","8.8408","0.0003","11.2369","0.0004","27.045","0.0009","90","","93.068","0.002","90","","2682.89","0.16","230","2","230","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C27 H40 N6 -","- C27 H40 N6 -","- C108 H160 N24 -","4","2","","Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai","Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6547","6554","10.1039/c1dt10032g","","x-ray","0.71073","MoKα","","0.0753","0.0533","","","0.1328","0.1485","","","","","","1.021","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015764","17.28","0.0005","17.3017","0.0005","22.0598","0.0006","90","","90.512","0.005","90","","6595","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H114 Li Mg N7 Si6 -","- C55 H114 Li Mg N7 Si6 -","- C220 H456 Li4 Mg4 N28 Si24 -","4","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","1.5418","CuKα","","0.1122","0.055","","","0.1098","0.1257","","","","","","0.835","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015765","11.7763","0.0003","35.6239","0.0008","14.4655","0.0003","90","","96.227","0.002","90","","6032.7","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H106 Li Mg N7 Si6 -","- C45 H106 Li Mg N7 Si6 -","- C180 H424 Li4 Mg4 N28 Si24 -","4","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0701","0.0418","","","0.0602","0.0638","","","","","","0.801","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015768","12.2778","0.0003","20.7952","0.0006","18.5454","0.0006","90","","91.334","0.003","90","","4733.7","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H80 K Mg N5 Si6 -","- C33 H80 K Mg N5 Si6 -","- C132 H320 K4 Mg4 N20 Si24 -","4","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0707","0.0421","","","0.0551","0.0587","","","","","","0.798","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015810","9.2762","0.0012","11.2082","0.0014","14.9861","0.0019","90","","90.472","0.002","90","","1558","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H17 Cl3 F10 N4 -","- C34 H17 Cl3 F10 N4 -","- C68 H34 Cl6 F20 N8 -","2","1","","Costa, Roshinee; Geier, 3rd, G Richard; Ziegler, Christopher J.","Structure and spectroscopic characterization of free base and metal complexes of 5,5-dimethyl-10,15-bis(pentafluorophenyl)isocorrole.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4384","4386","10.1039/c1dt10112a","","","0.71073","MoKα","","0.0388","0.0331","","","0.0771","0.0792","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015811","9.2791","0.0019","11.191","0.002","14.859","0.003","90","","90.678","0.003","90","","1542.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H15 Cl3 Cu F10 N4 -","- C34 H15 Cl3 Cu F10 N4 -","- C68 H30 Cl6 Cu2 F20 N8 -","2","1","","Costa, Roshinee; Geier, 3rd, G Richard; Ziegler, Christopher J.","Structure and spectroscopic characterization of free base and metal complexes of 5,5-dimethyl-10,15-bis(pentafluorophenyl)isocorrole.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4384","4386","10.1039/c1dt10112a","","","0.71073","MoKα","","0.0343","0.0302","","","0.0657","0.0671","","","","","","0.968","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015839","14.842","0.003","8.6829","0.0015","16.272","0.003","90","","93.973","0.003","90","","2092","0.7","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H53.5 Cu N10 Na O30 P2 -","- C21 H53.635 Cu N10 Na O30 P2 -","- C42 H107.27 Cu2 N20 Na2 O60 P4 -","2","1","","Zhou, Pei; Li, Hui","Chirality delivery from a chiral copper(II) nucleotide complex molecule to its supramolecular architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4834","4837","10.1039/c1dt10136f","","","0.71073","MoKα","","0.0578","0.0466","","","0.1159","0.1228","","","","","","0.995","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015863","9.6827","0.0001","22.3776","0.0002","16.0124","0.0002","90","","91.846","0.001","90","","3467.7","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H15 Cl3 N5 O P3 -","- C10 H15 Cl3 N5 O P3 -","- C80 H120 Cl24 N40 O8 P24 -","8","4","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0345","0.0316","","","0.0696","0.0714","","","","","","1.034","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015920","6.5182","0.0013","21.728","0.004","12.575","0.003","90","","99.77","0.03","90","","1755.1","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Co2 N4 O10 S -","- C36 H30 Co2 N4 O10 S -","- C72 H60 Co4 N8 O20 S2 -","2","1","","Xiao, Dong-Rong; Zhang, Guang-Ju; Liu, Jun-Liang; Fan, Lin-Lin; Yuan, Ruo; Tong, Ming-Liang","Enantiopure chiral coordination polymers of tetrahedral and octahedral cobalt(ii) alternate chains exhibiting slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5680","5683","10.1039/c1dt10262a","","","0.71073","MoKα","","0.0461","0.0361","","","0.0768","0.0822","","","","","","0.994","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015921","6.5291","0.0013","21.749","0.004","12.586","0.003","90","","99.83","0.03","90","","1761","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Co2 N4 O10 S -","- C36 H30 Co2 N4 O10 S -","- C72 H60 Co4 N8 O20 S2 -","2","1","","Xiao, Dong-Rong; Zhang, Guang-Ju; Liu, Jun-Liang; Fan, Lin-Lin; Yuan, Ruo; Tong, Ming-Liang","Enantiopure chiral coordination polymers of tetrahedral and octahedral cobalt(ii) alternate chains exhibiting slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5680","5683","10.1039/c1dt10262a","","","0.71073","MoKα","","0.035","0.0308","","","0.0742","0.0766","","","","","","1.012","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015963","10.798","0.002","17.973","0.004","11.474","0.002","90","","100.4","0.03","90","","2190.2","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H52 Ag3 N7 O18 -","- C36 H52 Ag3 N7 O18 -","- C72 H104 Ag6 N14 O36 -","2","1","","Sun, Di; Wang, Dan-Feng; Zhang, Na; Liu, Fu-Jing; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Capture and activation of aerial CO(2) by carbamoylation of l-threonine in a Ag(i) supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5677","5679","10.1039/c1dt10571j","","","0.71073","MoKα","","0.047","0.0346","","","0.0747","0.0813","","","","","","1.055","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015988","10.8736","0.001","8.4288","0.0005","11.5942","0.001","90","","113.764","0.01","90","","972.53","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Mn N3 O9 -","- C18 H17 Mn N3 O9 -","- C36 H34 Mn2 N6 O18 -","2","1","","Li, Wei; Barton, Phillip T.; Burwood, Ryan P.; Cheetham, Anthony K.","A 2D homochiral inorganic-organic framework exhibiting a spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7147","7152","10.1039/c0dt01686a","","","0.71073","MoKα","","0.0407","0.0376","","","0.0973","0.0987","","","","","","1.025","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015989","10.8701","0.0009","8.4038","0.0005","11.3838","0.001","90","","112.816","0.01","90","","958.54","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N3 O9 Zn -","- C18 H17 N3 O9 Zn -","- C36 H34 N6 O18 Zn2 -","2","1","","Li, Wei; Barton, Phillip T.; Burwood, Ryan P.; Cheetham, Anthony K.","A 2D homochiral inorganic-organic framework exhibiting a spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7147","7152","10.1039/c0dt01686a","","","0.71073","MoKα","","0.0411","0.038","","","0.1023","0.1033","","","","","","1.065","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015990","9.1602","0.0009","14.1871","0.0009","9.5929","0.001","90","","117.348","0.013","90","","1107.3","0.2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H20 Ir N3 O2 -","- C28 H20 Ir N3 O2 -","- C56 H40 Ir2 N6 O4 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.0348","0.03","","","0.0728","0.0739","","","","","","1.039","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016107","10.1566","0.0001","24.0033","0.0003","10.3252","0.0001","90","","107.097","0.001","90","","2405.96","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H52 N4 O4 Pb2 S8 -","- C40 H52 N4 O4 Pb2 S8 -","- C80 H104 N8 O8 Pb4 S16 -","2","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.061","0.0476","","","0.1054","0.112","","","","","","1.026","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016110","10.818","0.0004","8.122","0.0004","16.2173","0.0008","90","","96.683","0.003","90","","1415.23","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H41 N3 O2 Pb S4 -","- C19 H41 N3 O2 Pb S4 -","- C38 H82 N6 O4 Pb2 S8 -","2","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.1032","0.0559","","","0.107","0.124","","","","","","1.011","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016244","7.2969","0.0009","10.6713","0.0013","8.8333","0.0011","90","","113.331","0.003","90","","631.58","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","x82839","","","- C5 H14 As2 B9 Co -","- C5 H14 As2 B9.0038 Co -","- C10 H28 As4 B18.0076 Co2 -","2","1","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0214","0.0191","","","0.0429","0.0436","","","","","","1.047","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016363","6.5204","0.0013","22.603","0.005","11.813","0.002","90","","95.4","0.03","90","","1733.3","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 Cl N4 Ni -","- C40 H37 Cl N4 Ni -","- C80 H74 Cl2 N8 Ni2 -","2","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","0.71073","MoKα","","0.054","0.0426","","","0.1066","0.1183","","","","","","1.025","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016366","11.0806","0.0002","12.41579","0.00019","13.7889","0.0003","90","","101.405","0.0018","90","","1859.54","0.06","293.15","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H40 B F4 N5 Ni -","- C42 H40 B F4 N5 Ni -","- C84 H80 B2 F8 N10 Ni2 -","2","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","1.5418","CuKα","","0.0584","0.0509","","","0.1355","0.1479","","","","","","1.036","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016385","13.5371","0.0003","23.2484","0.0005","14.3898","0.0003","90","","114.008","0.001","90","","4136.92","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H99 Cl O6 P2 Pd Si2 -","- C96 H99 Cl O6 P2 Pd Si2 -","- C192 H198 Cl2 O12 P4 Pd2 Si4 -","2","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0427","0.0375","","","0.0994","0.1033","","","","","","1.061","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016386","9.9688","0.0011","9.1502","0.001","16.0481","0.0017","90","","99.461","0.004","90","","1443.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 O3 P -","- C36 H37 O3 P -","- C72 H74 O6 P2 -","2","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","1.54178","CuKα","","0.0317","0.031","","","0.0775","0.0783","","","","","","1.046","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016388","14.4938","0.0006","30.6692","0.0013","14.4991","0.0005","90","","106.461","0.003","90","","6180.9","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C145 H132 Cl2 O8 P2 Pd2 Si4 -","- C145 H132 Cl2 O8 P2 Pd2 Si4 -","- C290 H264 Cl4 O16 P4 Pd4 Si8 -","2","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","0.71073","MoKα","","0.1541","0.0919","","","0.1736","0.2009","","","","","","1.037","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016396","10.9488","0.00013","12.3734","0.00013","11.4241","0.00014","90","","97.4074","0.0011","90","","1534.75","0.03","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H26 Au2 Cl3 N4 O0.5 P2 -","- C23.6 H28 Au2 Cl2.8 N4 O0.6 P2 -","- C47.2 H56 Au4 Cl5.6 N8 O1.2 P4 -","2","1","","Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard","Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9212","9220","10.1039/c1dt10368g","","","0.7107","MoKα","","0.0379","0.0324","","","0.0766","0.0777","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016434","7.0402","0.0006","15.9083","0.0014","17.0698","0.0015","90","","94.596","0.002","90","","1905.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl2 Fe N3 O2.5 -","- C14 H16 Cl2 Fe N3 O2.5 -","- C56 H64 Cl8 Fe4 N12 O10 -","4","2","","Sundaravel, Karuppasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan","Biomimetic iron(iii) complexes of N(3)O and N(3)O(2) donor ligands: protonation of coordinated ethanolate donor enhances dioxygenase activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8444","8458","10.1039/c1dt10495k","","","0.71073","MoKα","","0.0665","0.0627","","","0.1532","0.1558","","","","","","1.117","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016460","11.7777","0.0011","7.4694","0.0007","14.6265","0.0013","90","","107.052","0.001","90","","1230.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 N2 O10 Zn -","- C22 H32 N2 O10 Zn -","- C44 H64 N4 O20 Zn2 -","2","1","","Pellico, Daniel; Gómez-Gallego, Mar; Escudero, Rosa; Ramírez-López, Pedro; Oliván, Montserrat; Sierra, Miguel A.","C-Branched chiral (racemic) macrocyclic amino acids: structure of their Ni(ii), Zn(ii) and Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9145","9153","10.1039/c1dt10539f","","","0.71073","MoKα","","0.0747","0.0508","","","0.1152","0.1263","","","","","","0.963","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7016609","8.5517","0.0001","22.699","0.0003","10.346","0.0002","90","","101.394","0.0005","90","","1968.73","0.05","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H48 B Cl3 F Fe K O6 -","- C37 H48 B Cl3 F Fe K O6 -","- C74 H96 B2 Cl6 F2 Fe2 K2 O12 -","2","1","","Siewert, Inke; Fitzpatrick, Philip; Broomsgrove, Alexander E. J.; Kelly, Michael; Vidovic, Dragoslav; Aldridge, Simon","Probing the influence of steric bulk on anion binding by triarylboranes: comparative studies of FcB(o-Tol)(2), FcB(o-Xyl)(2) and FcBMes(2).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10345","10350","10.1039/c1dt10185d","","","0.71073","MoKα","","0.0492","0.0361","","0.078","0.0719","0.078","","","","","","0.9872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016673","12.28","0.0003","17.6405","0.0004","20.8359","0.0005","90","","92.794","0.002","90","","4508.22","0.19","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H46.5 Cl2 Fe N9.5 O8 -","- C40 H46.5 Cl2 Fe N9.5 O8 -","- C160 H186 Cl8 Fe4 N38 O32 -","4","2","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","1.54184","CuKα","","0.0517","0.047","","","0.1275","0.1337","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016676","12.12947","0.00012","13.37998","0.00012","15.44345","0.00015","90","","103.38","0.001","90","","2438.32","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 Cl2 N7 O10 Zn -","- C48 H53 Cl2 N7 O10 Zn -","- C96 H106 Cl4 N14 O20 Zn2 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","1.54184","CuKα","","0.0495","0.0488","","","0.1312","0.1323","","","","","","1.046","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016677","12.1724","0.0003","13.3579","0.0002","15.4379","0.0003","90","","103.831","0.001","90","","2437.38","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 Cl2 N7 Ni O10 -","- C48 H53 Cl2 N7 Ni O10 -","- C96 H106 Cl4 N14 Ni2 O20 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.0637","0.0515","","","0.1258","0.1329","","","","","","1.055","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016678","11.665","0.0005","13.5956","0.0005","15.3936","0.0007","90","","95.949","0.002","90","","2428.16","0.18","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H50 Co F12 N6 O2 P2 -","- C44 H42 Co F12 N6 O2 P2 -","- C88 H84 Co2 F24 N12 O4 P4 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.1152","0.0669","","","0.1589","0.1828","","","","","","0.986","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016679","11.978","","11.769","","18.739","","90","","92.09","","90","","2639.86","","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H51 Co F18 N9 P3 -","- C48 H48 Co F18 N9 P3 -","- C96 H96 Co2 F36 N18 P6 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.0966","0.0669","","","0.1221","0.1382","","","","","","1.17","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016687","9.8047","0.0008","8.8134","0.0008","14.007","0.0012","90","","91.363","0.001","90","","1210.04","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O -","- C28 H34 N2 O -","- C56 H68 N4 O2 -","2","1","","Villaverde, Gonzalo; Arnanz, Avelina; Iglesias, Marta; Monge, Angeles; Sánchez, Félix; Snejko, Natalia","Development of homogeneous and heterogenized rhodium(i) and palladium(ii) complexes with ligands based on a chiral proton sponge building block and their application as catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9589","9600","10.1039/c1dt10597c","","","0.71073","MoKα","","0.1082","0.0636","","","0.1125","0.1281","","","","","","1.074","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016835","10.97","0.005","9.739","0.005","17.92","0.005","90","","98.158","0.005","90","","1895.1","1.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","trans-(diaquadi((S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1- yl)-7-oxo-3,7-dihydro-2H-(1,4)oxazino(2,3,4-ij)quinoline-6-carboxylato- kappa$2!O,O)zinc(ii)) dihydrate","trans-[diaquadi((S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7- dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylato-κ^2^O,O)zinc(II)] dihydrate","","- C36 H46 F2 N6 O12 Zn -","- C36 H46 F2 N6 O12 Zn -","- C72 H92 F4 N12 O24 Zn2 -","2","1","","Tarushi, Alketa; Polatoglou, Eleni; Kljun, Jakob; Turel, Iztok; Psomas, George; Kessissoglou, Dimitris P.","Interaction of Zn(ii) with quinolone drugs: Structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9461","9473","10.1039/c1dt10870k","","","0.71073","MoKα","","0.058","0.0431","","","0.1022","0.1155","","","","","","0.968","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016837","8.4059","0.0004","4.8128","0.0004","17.6696","0.001","90","","92.275","0.004","90","","714.28","0.08","100","","100","","","","","","","","see paper","4","P 1 21 1","P 2yb","4","Title","Title","","- C14 H20 N4 S -","- C14 H20 N4 S -","- C28 H40 N8 S2 -","2","1","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.71073","MoKα","","0.0476","0.0407","","","0.0978","0.1025","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016849","17.694","0.002","19.961","0.003","20.045","0.003","90","","100.969","0.015","90","","6950.3","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C108 H96 Ag8 Mo16 N24 O56 -","- C108 H88 Ag8 Mo16 N24 O56 -","- C216 H176 Ag16 Mo32 N48 O112 -","2","1","","Liu, Hai-Yan; Bo, Liu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Wu, Hua","Two novel inorganic-organic hybrid materials constructed from two kinds of octamolybdate clusters and flexible tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9782","9788","10.1039/c1dt10893j","","","0.71073","MoKα","","0.1031","0.0432","","","0.0644","0.0711","","","","","","0.684","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016963","12.827","0.003","6.5366","0.0013","16.096","0.003","90","","90.34","0.03","90","","1349.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 La2 N O19.5 S2 -","- C12 H4 La2 N O19.5 S2 -","- C24 H8 La4 N2 O39 S4 -","2","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0471","0.0453","","","0.1181","0.1196","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016994","16.1319","0.0003","19.1238","0.0004","31.7567","0.0006","90","","103.648","0.001","90","","9520.4","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C88.125 H42.25 B2 Cl0.25 F48 N8 O4 Rh2 -","- C88.125 H42.25 B2 Cl0.25 F48 N8 O4 Rh2 -","- C352.5 H169 B8 Cl F192 N32 O16 Rh8 -","4","2","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0613","0.045","","","0.1069","0.1141","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017017","15.952","0.006","9.578","0.004","27.437","0.01","90","","93.065","0.006","90","","4186","3","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H106 Cl2 N8 O9 Zn -","- C87 H108.08 Cl2 N8 O9.04 Zn -","- C174 H216.16 Cl4 N16 O18.08 Zn2 -","2","1","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.6775","synchrotron","","0.2164","0.1264","","0.2266","0.139","0.139","","","","","","1.1586","","","","has coordinates,has disorder","209453","2020-10-21","18:00:00",""
"7017063","9.4286","0.0005","5.3264","0.0003","15.7265","0.0009","90","","107.162","0.002","90","","754.63","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O8 Tl2 -","- C10 H16 N2 O8 Tl2 -","- C20 H32 N4 O16 Tl4 -","2","1","","Bodner, Thomas; Wirnsberger, Bianca; Albering, Jörg; Wiesbrock, Frank","Anhydrous thallium hydrogen l-glutamate: polymer networks formed by sandwich layers of oxygen-coordinated thallium ions cores shielded by hydrogen l-glutamate counterions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10885","10888","10.1039/c1dt11092f","","","0.71073","MoKα","","0.0297","0.0277","","","0.0707","0.0719","","","","","","1.1","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017074","15.319","0.003","20.976","0.004","23.667","0.005","90","","105.245","0.007","90","","7337","3","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C60 H109 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C120 H218 Cl6 Cu16 La4 N24 O110 Pd12 S24 -","2","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.1207","0.0894","","","0.238","0.2701","","","","","","1.038","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017098","10.349","0.003","8.789","0.002","12.741","0.004","90","","101.768","0.006","90","","1134.5","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Al N2 O2 -","- C24 H33 Al N2 O2 -","- C48 H66 Al2 N4 O4 -","2","1","","Li, Wenyi; Wu, Wenting; Wang, Yaorong; Yao, Yingming; Zhang, Yong; Shen, Qi","Bimetallic aluminum alkyl complexes as highly active initiators for the polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11378","11381","10.1039/c1dt11380a","","","0.71075","MoKα","","0.052","0.0407","","","0.0919","0.0991","","","","","","1.025","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017212","15.319","0.003","20.976","0.004","23.667","0.005","90","","105.245","0.007","90","","7337","3","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C60 H109 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C120 H218 Cl6 Cu16 La4 N24 O110 Pd12 S24 -","2","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.1207","0.0894","","","0.238","0.2701","","","","","","1.038","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017309","9.3915","0.0004","7.385","0.0003","13.1072","0.0004","90","","109.658","0.002","90","","856.08","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H22 Cl2 Co N2 O -","- C14 H22 Cl2 Co N2 O -","- C28 H44 Cl4 Co2 N4 O2 -","2","1","","Singh Pannu, Ajay Pal; Kapoor, Pratibha; Hundal, Geeta; Kapoor, Ramesh; Corbella, Montserrat; Aliaga-Alcalde, Núria; Singh Hundal, Maninder","Magneto-structural studies of two new cobalt(ii)-N,N-diisobutylisonicotinamide compounds: [CoLCl(2)](n) and [Co(L)(2)(H(2)O)(4)][CoLBr(3)](2)·2H(2)O.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12560","12569","10.1039/c1dt10991j","","","1.54178","CuKα","","0.04","0.0396","","","0.0985","0.0986","","","","","","1.262","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017341","11.69","0.002","12.287","0.002","13.601","0.002","90","","93.493","0.004","90","","1950","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Cl3 I3 N3 P -","- C32 H40 Cl3 I3 N3 P -","- C64 H80 Cl6 I6 N6 P2 -","2","1","","Martin, Caleb D.; Ragogna, Paul J.","Substitution matters: isolating phosphorus diiminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11976","11980","10.1039/c1dt11111f","","","0.71073","MoKα","","0.0802","0.05","","","0.1166","0.1399","","","","","","1.056","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017494","10.5195","0.001","13.8376","0.0012","14.583","0.0012","90","","92.567","0.008","90","","2120.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H14 Cu N2 O5 S2 -","- C22 H14 Cu N2 O5 S2 -","- C88 H56 Cu4 N8 O20 S8 -","4","2","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.1432","0.1081","","","0.2794","0.2986","","","","","","1.035","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017514","11.9319","0.001","22.7781","0.0019","21.1246","0.0017","90","","104.303","0.004","90","","5563.4","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H96 La2 N12 O33 -","- C96 H96 La2 N12 O33 -","- C192 H192 La4 N24 O66 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0999","0.0462","","","0.0695","0.0767","","","","","","1.036","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017516","11.961","0.002","22.678","0.003","21.079","0.003","90","","104.39","0.007","90","","5538.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H96 N12 O33 Pr2 -","- C96 H96 N12 O33 Pr2 -","- C192 H192 N24 O66 Pr4 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.1297","0.0555","","","0.0854","0.0988","","","","","","0.982","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017577","15.6025","0.0006","11.5308","0.0004","21.2356","0.0007","90","","103.904","0.002","90","","3708.5","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H21 B F15 O2 P -","- C42 H21 B F15 O2 P -","- C168 H84 B4 F60 O8 P4 -","4","2","","Caputo, Christopher B.; Geier, Stephen J.; Ouyang, Eva Y.; Kreitner, Christoph; Stephan, Douglas W.","Chloro- and phenoxy-phosphines in frustrated Lewis pair additions to alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","237","242","10.1039/c1dt11196e","","","0.71073","MoKα","","0.0752","0.0437","","","0.0816","0.0949","","","","","","0.988","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017580","10.345","0.002","14.917","0.003","14.442","0.003","90","","104.27","0.03","90","","2159.9","0.8","173","2","173","2","","","","","","","toluene","5","P 1 21 1","P 2yb","4","((GaCl2(IMes))2)","","","- C42 H48 Cl4 Ga2 N4 -","- C42 H48 Cl4 Ga2 N4 -","- C84 H96 Cl8 Ga4 N8 -","2","1","","Ball, Graham E.; Cole, Marcus L.; McKay, Alasdair I.","Low valent and hydride complexes of NHC coordinated gallium and indium.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","946","952","10.1039/c1dt11202c","","x-ray","0.71073","MoKα","","0.2059","0.0906","","","0.1791","0.2289","","","","","","0.983","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017598","15.5311","0.0012","20.8394","0.0015","15.9241","0.0013","90","","117.951","0.005","90","","4552.8","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H144 B30 Mo2 N8 O6 Sn6 -","- C52 H144 B30 Mo2 N8 O6 Sn6 -","- C104 H288 B60 Mo4 N16 O12 Sn12 -","2","1","","Nickl, Claudia; Eichele, Klaus; Wesemann, Lars","1,2-Distanna-closo-dodecaborate‒a rare example of a 1,2-distannylene ligand in transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","243","250","10.1039/c1dt11247c","","","0.71073","MoKα","","0.139","0.0813","","","0.1457","0.1711","","","","","","1.063","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017776","10.5577","0.0007","13.2121","0.0009","14.6686","0.0011","90","","105.436","0.002","90","","1972.3","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H37 Cl2 N3 O3 P2 Pd -","- C44 H37 Cl2 N3 O3 P2 Pd -","- C88 H74 Cl4 N6 O6 P4 Pd2 -","2","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0314","0.0305","","","0.0686","0.069","","","","","","1.103","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017777","10.4042","0.0004","13.5259","0.0006","13.7681","0.0006","90","","101.603","0.002","90","","1897.94","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H38 Cl2 N2 O P2 Pd -","- C44 H38 Cl2 N2 O P2 Pd -","- C88 H76 Cl4 N4 O2 P4 Pd2 -","2","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0336","0.0318","","","0.0673","0.0681","","","","","","1.041","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017856","8.3553","0.0004","17.7254","0.0006","11.8129","0.0005","90","","99.415","0.004","90","","1725.94","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H63 Li2 N5 O Si2 -","- C28 H63 Li2 N5 O Si2 -","- C56 H126 Li4 N10 O2 Si4 -","2","1","","Colquhoun, Victoria P.; Strohmann, Carsten","Structural influence of steric factors and donor functions on lithium silylamides in non-coordinating solvents.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1897","1902","10.1039/c1dt11550b","","","0.71073","MoKα","","0.0414","0.0329","","","0.0654","0.0665","","","","","","1.019","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017939","10.4102","0.0006","12.7755","0.0005","13.0729","0.0006","90","","95.987","0.001","90","","1729.15","0.14","93","2","93","2","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C12 H26 Cl Co N4 O6 -","- C12 H26 Cl Co N4 O6 -","- C48 H104 Cl4 Co4 N16 O24 -","4","2","","Wilson-Coutts, Sarah M; Browne, Julian M. W.; Marsh, Liesl C.; Polson, Matthew I. J.; Hartshorn, Richard M.","High diastereoselectivity in borohydride reductions of coordinated imines.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1591","1596","10.1039/c1dt11704a","","","0.71073","MoKα","","0.0374","0.0349","","","0.0711","0.0723","","","","","","1.07","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017962","13.3313","0.0001","19.955","0.0002","14.1647","0.0001","90","","109.127","0.0004","90","","3560.16","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 O5 U -","- C38 H44 N2 O5 U -","- C152 H176 N8 O20 U4 -","4","2","","Lombardo, Giuseppe M.; Thompson, Amber L.; Ballistreri, Francesco P.; Pappalardo, Andrea; Sfrazzetto, Giuseppe Trusso; Tomaselli, Gaetano A.; Toscano, Rosa M.; Punzo, Francesco","An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1951","1960","10.1039/c1dt11758k","","","0.71073","MoKα","","0.038","0.0311","","0.0768","0.0695","0.0768","","","","","","0.9229","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017963","11.1795","0.0001","19.1383","0.0002","13.0194","0.0001","90","","105.396","0.0005","90","","2685.62","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O5 U -","- C30 H28 N2 O5 U -","- C120 H112 N8 O20 U4 -","4","2","","Lombardo, Giuseppe M.; Thompson, Amber L.; Ballistreri, Francesco P.; Pappalardo, Andrea; Sfrazzetto, Giuseppe Trusso; Tomaselli, Gaetano A.; Toscano, Rosa M.; Punzo, Francesco","An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1951","1960","10.1039/c1dt11758k","","","0.71073","MoKα","","0.0394","0.0359","","0.1061","0.0999","0.1061","","","","","","1.0051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017988","12.139","0.002","21.571","0.004","12.611","0.002","90","","90.351","0.004","90","","3302.1","1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H94 Eu N11 O35 -","- C48 H66 Eu N11 O35 -","- C96 H132 Eu2 N22 O70 -","2","1","","Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu","A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1786","1791","10.1039/c1dt11825k","","","0.71073","MoKα","","0.0527","0.0468","","","0.1261","0.134","","","","","","1.081","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017989","12.1858","0.0008","21.5773","0.0013","12.5587","0.0007","90","","90.406","0.002","90","","3302.1","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H94 Eu N11 O35 -","- C48 H66 Eu N11 O35 -","- C96 H132 Eu2 N22 O70 -","2","1","","Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu","A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1786","1791","10.1039/c1dt11825k","","","0.71073","MoKα","","0.0679","0.0599","","","0.1527","0.1655","","","","","","1.115","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017995","11.9088","0.0003","8.0278","0.0002","15.6843","0.0005","90","","102.48","0.001","90","","1464.01","0.07","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C33 H28 N3 O2 P Pd S -","- C33 H28 N3 O2 P Pd S -","- C66 H56 N6 O4 P2 Pd2 S2 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.","Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2486","2499","10.1039/c1dt11838b","","x-ray","0.71073","MoKα","","0.088","0.0477","","","0.0658","0.0744","","","","","","0.847","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7018019","8.1062","0.0007","8.5205","0.0013","15.3582","0.0006","90","","93.511","0.001","90","","1058.78","0.19","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H28 Cl2 P4 Pd2 Se -","- C10 H28 Cl2 P4 Pd2 Se -","- C20 H56 Cl4 P8 Pd4 Se2 -","2","1","","Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1991","2002","10.1039/c1dt11961c","","","0.71073","MoKα","","0.0234","0.0216","","","0.0528","0.0532","","","","","","1.054","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018179","7.8413","0.0005","17.1764","0.001","7.8467","0.0005","90","","96.034","0.001","90","","1050.98","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Mn2 N8 S4 -","- C16 H12 Mn2 N8 S4 -","- C32 H24 Mn4 N16 S8 -","2","1","","Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming","Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2626","2631","10.1039/c2dt11738j","","","0.71073","MoKα","","0.0275","0.0271","","","0.0669","0.0672","","","","","","1.059","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018339","9.79","0.002","19.391","0.002","12.139","0.003","90","","110.018","0.011","90","","2165.2","0.7","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","Refine","","","- C44 H67 Nd O5 -","- C44 H67 Nd O5 -","- C88 H134 Nd2 O10 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.712","Synchrotron","","0.0302","0.0289","","","0.0718","0.0724","","","","","","1.081","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018340","9.7148","0.0016","19.483","0.003","12.344","0.002","90","","110.053","0.011","90","","2194.7","0.6","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","work","","","- C44 H67 O5 Yb -","- C44 H67 O5 Yb -","- C88 H134 O10 Yb2 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0261","0.0219","","","0.0491","0.0514","","","","","","0.999","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018342","9.6897","0.0014","19.343","0.003","12.182","0.002","90","","109.559","0.009","90","","2151.5","0.6","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","Y(DIP)3(THF)2","","","- C44 H67 O5 Y -","- C44 H67 O5 Y -","- C88 H134 O10 Y2 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.1867","0.0777","","","0.1643","0.226","","","","","","0.779","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018362","10.3765","0.0012","24.333","0.003","13.5813","0.0015","90","","104.936","0.005","90","","3313.3","0.7","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","KO0802 Ni-benzoquinoline imine I","","- C35 H30 Cl2 I2 N4 Ni -","- C35 H30 Cl2 I2 N4 Ni -","- C140 H120 Cl8 I8 N16 Ni4 -","4","2","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.038","0.0313","","","0.0704","0.0735","","","","","","1.069","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018363","14.9311","0.0017","8.6427","0.0009","25.05","0.003","90","","103.466","0.008","90","","3143.7","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","DP-2-74-1 quinoline cyclohexane imine Ni2 I4","","- C32 H36 I2 N4 Ni -","- C32 H36 I2 N4 Ni -","- C128 H144 I8 N16 Ni4 -","4","2","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.1301","0.1131","","","0.2956","0.3052","","","","","","1.084","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018367","11.6896","0.0008","22.8266","0.0016","11.9341","0.0009","90","","118.924","0.001","90","","2787.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","DP-2-70-2 3,3'-bis(naphthoquinoline imine) binaphthyl Ni2 I4","","- C51 H33 Cl9 I4 N4 Ni2 -","- C51 H33 Cl9 I4 N4 Ni2 -","- C102 H66 Cl18 I8 N8 Ni4 -","2","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.0284","0.0268","","","0.0606","0.0613","","","","","","1.009","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018387","9.6735","0.0016","15.7","0.002","9.9511","0.0016","90","","118.18","0.007","90","","1332.2","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,1,1-Tris(1-methyl-1H-imidazol-2-ylmethyleneaminomethyl)ethane]iron(II) ditetrafluoroborate","","- C20 H27 B2 F8 Fe N9 -","- C20 H27 B2 F8 Fe N9 -","- C40 H54 B4 F16 Fe2 N18 -","2","1","","Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.","Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3731","3739","10.1039/c2dt11911k","","","0.71073","MoKα","","0.0476","0.0339","","","0.0644","0.0686","","","","","","1.001","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018404","12.0455","0.0015","9.0733","0.0011","21.256","0.003","90","","96.742","0.002","90","","2307.1","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 B2 O3 P2 -","- C44 H60 B2 O3 P2 -","- C88 H120 B4 O6 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.1489","0.0862","","","0.2073","0.2275","","","","","","0.891","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018405","9.1131","0.0006","17.7459","0.0011","15.5104","0.001","90","","102.556","0.001","90","","2448.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 B2 O3 P2 -","- C44 H60 B2 O3 P2 -","- C88 H120 B4 O6 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.042","0.0352","","","0.0745","0.0765","","","","","","0.933","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018406","9.0916","0.0015","26.778","0.005","10.3509","0.0017","90","","106.329","0.002","90","","2418.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H28 B2 O P2 -","- C26 H28 B2 O P2 -","- C104 H112 B8 O4 P8 -","4","2","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0688","0.0617","","","0.1373","0.1403","","","","","","1.191","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018413","8.866","0.002","15.561","0.004","12.61","0.003","90","","109.266","0.002","90","","1642.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H44 B2 O2 P2 -","- C35 H44 B2 O2 P2 -","- C70 H88 B4 O4 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0294","0.0289","","","0.0851","0.0857","","","","","","1.059","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018432","9.8861","0.0006","12.6888","0.0006","16.0244","0.0009","90","","107.551","0.001","90","","1916.57","0.18","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Fe Mn2 N10 O6 -","- C32 H44 Fe Mn2 N10 O6 -","- C64 H88 Fe2 Mn4 N20 O12 -","2","1","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0381","0.029","","","0.0598","0.0625","","","","","","1.01","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018457","12.2967","0.0015","17.7483","0.0021","5.9887","0.0008","90","","104.626","0.006","90","","1264.7","0.3","473","","473","","","","","","","","","6","P 1 21 1","P 2yb","4","LaH5DTMP ANH","","","- C10 H25 La N2 O12 P4 -","- C10 La N2 O12 P4 -","- C20 La2 N4 O24 P8 -","2","1","","Colodrero, Rosario M. P.; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; Leon-Reina, Laura; Papadaki, Maria; McKinlay, Alistair C.; Morris, Russell E.; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional lanthanum tetraphosphonates: Flexible, ultramicroporous and proton-conducting hybrid frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4045","4051","10.1039/c2dt11992g","powder diffraction","x-ray","1.5406","","","","","","","","","0.11687","","2.75","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018458","13.3444","0.0005","18.782","0.0004","5.84903","0.00023","90","","97.711","0.004","90","","1452.71","0.09","","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","LaH5DTMP.7H2O","","","- C10 H39 La N2 O19 P4 -","- C10 La N2 O19 P4 -","- C20 La2 N4 O38 P8 -","2","1","","Colodrero, Rosario M. P.; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; Leon-Reina, Laura; Papadaki, Maria; McKinlay, Alistair C.; Morris, Russell E.; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional lanthanum tetraphosphonates: Flexible, ultramicroporous and proton-conducting hybrid frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4045","4051","10.1039/c2dt11992g","powder diffraction","x-ray","0.2998","","","","","","","","","0.09562","","2.75","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018459","12.5035","0.0006","18.1874","0.001","5.82","0.00033","90","","101.923","0.004","90","","1294.95","0.12","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","LaH5DTMP.2H2O","","","- C10 H29 La N2 O14 P4 -","- C10 La N2 O14 P4 -","- C20 La2 N4 O28 P8 -","2","1","","Colodrero, Rosario M. P.; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; Leon-Reina, Laura; Papadaki, Maria; McKinlay, Alistair C.; Morris, Russell E.; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional lanthanum tetraphosphonates: Flexible, ultramicroporous and proton-conducting hybrid frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4045","4051","10.1039/c2dt11992g","powder diffraction","x-ray","1.5406","","","","","","","","","0.12184","","4.52","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018507","9.939","0.008","6.873","0.006","12.286","0.01","90","","93.407","0.011","90","","837.8","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 N2 O6 P Zn -","- C17 H15 N2 O6 P Zn -","- C34 H30 N4 O12 P2 Zn2 -","2","1","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0982","0.0927","","","0.2414","0.2536","","","","","","1.116","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018569","11.7216","0.0003","22.8856","0.0007","12.4104","0.0004","90","","94.881","0.003","90","","3317.09","0.17","","","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H29.5 N10.5 O2 Ru -","- C36 H29.5 N10.5 O2 Ru -","- C144 H118 N42 O8 Ru4 -","4","2","","Kundu, Tanaya; Chowdhury, Abhishek Dutta; De, Dipanwita; Mobin, Shaikh M.; Puranik, Vedavati G.; Datta, Anindya; Lahiri, Goutam Kumar","Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4484","4496","10.1039/c2dt12126c","","","0.71073","MoKα","","0.0428","0.035","","","0.0878","0.0896","","","","","","1.013","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018578","11.5004","0.0006","8.3851","0.0004","11.6141","0.0007","90","","96.489","0.005","90","","1112.8","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 Br2 N2 Si Zn -","- C18 H32 Br2 N2 Si Zn -","- C36 H64 Br4 N4 Si2 Zn2 -","2","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0269","0.0243","","","0.055","0.0553","","","","","","1.027","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018579","12.3467","0.0006","11.0348","0.0006","19.5297","0.0014","90","","106.652","0.007","90","","2549.2","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Br2 N2 Si Zn -","- C23 H34 Br2 N2 Si Zn -","- C92 H136 Br8 N8 Si4 Zn4 -","4","2","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0649","0.0432","","","0.0674","0.0691","","","","","","1.006","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018581","11.3678","0.0013","8.2162","0.0009","11.6616","0.0017","90","","95.005","0.013","90","","1085","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 Cl2 N2 Si Zn -","- C18 H32 Cl2 N2 Si Zn -","- C36 H64 Cl4 N4 Si2 Zn2 -","2","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.1327","0.0709","","","0.1271","0.1384","","","","","","1.004","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018582","11.7147","0.0011","8.4569","0.0008","12.6064","0.0012","90","","90.317","0.008","90","","1248.9","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl2 N2 Si Zn -","- C23 H34 Cl2 N2 Si Zn -","- C46 H68 Cl4 N4 Si2 Zn2 -","2","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0465","0.0293","","","0.0345","0.0355","","","","","","0.829","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018692","8.1844","0.0005","15.7522","0.0009","12.9435","0.0008","90","","100.672","0.003","90","","1639.84","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26.5 H31 Cl2 Cu2 N6 O11 -","- C26.5 H31 Cl2 Cu2 N6 O11 -","- C53 H62 Cl4 Cu4 N12 O22 -","2","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71073","MoKα","","0.042","0.0347","","","0.0701","0.0741","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018730","11.5499","0.001","14.8223","0.0008","19.2382","0.0018","90","","105.224","0.009","90","","3177.9","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H65 Cl2 Cu F3 N6 O13 -","- C67 H65 Cl2 Cu F3 N6 O13 -","- C134 H130 Cl4 Cu2 F6 N12 O26 -","2","1","","Howson, Suzanne E.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Simpson, Daniel H.; Scott, Peter","Jahn-Teller effects on π-stacking and stereoselectivity in the phenylethaniminopyridine tris-chelates Cu(NN')(3)(2+).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4477","4483","10.1039/c2dt12378a","","","1.54184","CuKα","","0.0772","0.0586","","","0.1395","0.1563","","","","","","1.022","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018744","9.845","0.001","28.878","0.002","10.654","0.0008","90","","104.068","0.007","90","","2938.1","0.4","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl N2 Sn -","- C29 H43 Cl N2 Sn -","- C116 H172 Cl4 N8 Sn4 -","4","2","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.1003","0.0707","","","0.1534","0.1744","","","","","","1.075","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018789","11.427","0.001","13.624","0.001","17.85","0.001","90","","90.415","0.001","90","","2778.8","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H71 Cl5 O P2 Ru3 -","- C57 H71 Cl5 O P2 Ru3 -","- C114 H142 Cl10 O2 P4 Ru6 -","2","1","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.0538","0.0417","","","0.0967","0.1018","","","","","","1.012","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018790","11.357","0.001","13.49","0.001","17.956","0.001","90","","90.11","0.001","90","","2751","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H71 Cl5 Fe O P2 Ru2 -","- C57 H71 Cl5 Fe O P2 Ru2 -","- C114 H142 Cl10 Fe2 O2 P4 Ru4 -","2","1","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.082","0.0494","","","0.0897","0.1","","","","","","0.947","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018835","10.7546","0.0005","26.4634","0.0011","11.0319","0.0004","90","","92.912","0.003","90","","3135.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido-(2,2-dimethylaziridine)-[2-{1-(dimethylaminoethyl} phenyl-C,N]-palladium(II)","","- C14 H23 Cl N2 Pd -","- C14 H23 Cl N2 Pd -","- C112 H184 Cl8 N16 Pd8 -","8","4","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0247","0.0221","","","0.0494","0.0504","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018868","9.3204","0.0019","5.1021","0.001","13.905","0.003","90","","108.297","0.003","90","","627.8","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","R-3-Boc-Bromalaninemethylester","R-3-(t-Butyloxycarbonyl)-Bromalaninemethylester","","- C9 H15 Br N O4 -","- C9 H15 Br N O4 -","- C18 H30 Br2 N2 O8 -","2","1","","Kraehmer, Verena; Rehder, Dieter","Modelling the site of bromide binding in vanadate-dependent bromoperoxidases.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5225","5234","10.1039/c2dt12287a","","","0.71073","MoKα","","0.0452","0.0397","","","0.0939","0.0957","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018891","11.2143","0.0004","17.4999","0.0006","11.5906","0.0004","90","","111.861","0.002","90","","2111.08","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl3 N2 O8 P Pd -","- C42 H48 Cl3 N2 O8 P Pd -","- C84 H96 Cl6 N4 O16 P2 Pd2 -","2","1","","Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing","Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5391","5400","10.1039/c2dt12379g","","","0.71073","MoKα","","0.0584","0.0415","","","0.0918","0.1122","","","","","","1.084","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018892","10.5919","0.0014","20.528","0.003","12.6956","0.0016","90","","109.676","0.008","90","","2599.2","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl2 N O4 P Pd -","- C25 H26 Cl2 N O4 P Pd -","- C100 H104 Cl8 N4 O16 P4 Pd4 -","4","2","","Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing","Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5391","5400","10.1039/c2dt12379g","","","0.71073","MoKα","","0.0377","0.0287","","","0.0701","0.0811","","","","","","1.088","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018910","9.2999","0.0004","16.5877","0.0009","9.4383","0.0004","90","","111.392","0.003","90","","1355.68","0.11","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","tetrakis-trimethylphosphine-rhodium(i) bis-trifluoromethyl-pyrazolate","","- C17 H37 F6 N2 P4 Rh -","- C17 H37 F6 N2 P4 Rh -","- C34 H74 F12 N4 P8 Rh2 -","2","1","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71069","MoKα","","0.1572","0.0663","","","0.1138","0.1524","","","","","","1.007","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018981","23.4959","0.0011","13.7262","0.001","31.5166","0.0017","90","","98.305","0.002","90","","10057.8","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C184 H199 N12 O60 Zn16 -","- C184 H199 N12 O60 Zn16 -","- C368 H398 N24 O120 Zn32 -","2","1","","Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Isolation and characterization of unusual multinuclear Schiff base complexes: rearrangements reactions and octanuclear cluster formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5193","5200","10.1039/c2dt30201b","","","0.71073","MoKα","","0.0696","0.0561","","","0.137","0.1446","","","","","","1.033","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7019058","8.404","0.002","5.591","0.0016","15.25","0.005","90","","101.844","0.004","90","","701.3","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H9 Ag Cl4 N2 O2 -","- C11 H9 Ag Cl4 N2 O2 -","- C22 H18 Ag2 Cl8 N4 O4 -","2","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.0415","0.0367","","","0.0809","0.0833","","","","","","0.999","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019061","9.5847","0.0019","11.024","0.002","10.765","0.002","90","","105.97","0.03","90","","1093.5","0.4","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H33 Cl Fe N3 O6 -","- C17 H33 Cl Fe N3 O6 -","- C34 H66 Cl2 Fe2 N6 O12 -","2","1","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.0457","0.0362","","","0.0693","0.0727","","","","","","0.996","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019164","8.1465","0.0004","20.292","0.0009","15.7726","0.0007","90","","91.056","0.002","90","","2606.9","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12.8 H30.4 F4.8 N1.6 P2.4 Pt0.8 S0.8 -","- C12.8 H30.4 F4.8 N1.6 P2.4 Pt0.8 S0.8 -","- C64 H152 F24 N8 P12 Pt4 S4 -","5","2.5","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.076","0.0649","","","0.1594","0.1662","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019193","10.4067","0.0013","12.5305","0.0015","12.5733","0.0016","90","","91.443","0.002","90","","1639.1","0.4","250","2","250","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H34 Cu F6 N2 O9 S2 -","- C24 H34 Cu F6 N2 O9 S2 -","- C48 H68 Cu2 F12 N4 O18 S4 -","2","1","","Dawsey, Anna C.; Li, Vincent; Hamilton, Kimberly C.; Wang, Jianmei; Williams, Travis J.","Copper-catalyzed oxidation of azolines to azoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7994","8002","10.1039/c2dt00025c","","","0.71073","MoKα","","0.0609","0.0453","","","0.0983","0.1051","","","","","","1.038","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019298","13.1264","0.0014","7.0886","0.0008","18.898","0.002","90","","100.821","0.006","90","","1727.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Cr N2 -","- C20 H21 Cr N2 -","- C80 H84 Cr4 N8 -","4","2","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.1022","0.0816","","","0.1988","0.2161","","","","","","1.075","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019300","22.2076","0.0014","10.7791","0.0006","37.721","0.002","90","","105.701","0.002","90","","8692.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 Cr N2 -","- C31 H41 Cr N2 -","- C372 H492 Cr12 N24 -","12","6","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0966","0.0537","","","0.0972","0.1114","","","","","","1.009","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019362","11.256","0.0002","11.3603","0.0002","18.7646","0.0006","90","","106.834","0.001","90","","2296.64","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H21 As Br4 -","- C21 H21 As Br4 -","- C84 H84 As4 Br16 -","4","2","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.0775","0.0519","","","0.1195","0.1337","","","","","","1.051","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019479","9.7546","0.0001","13.7776","0.0002","9.9353","0.0007","90","","110.935","0.008","90","","1247.11","0.11","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl5 N5 O5 Ru -","- C19 H20 Cl5 N5 O5 Ru -","- C38 H40 Cl10 N10 O10 Ru2 -","2","1","","Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai","Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8047","8059","10.1039/c2dt30464c","","","1.54187","CuKα","","0.0175","0.0174","","","0.0405","0.0406","","","","","","1.05","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019645","7.04192","0.00013","26.8465","0.0003","10.66563","0.00015","90","","103.675","0.0016","90","","1959.18","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Rubidium uranyl tungstate","","","- O39 Rb6 U7 W5 -","- O39 Rb6 U7 W5 -","- O78 Rb12 U14 W10 -","2","1","","Seliverstov, Andrey N.; Suleimanov, Evgeny V.; Chuprunov, Evgeny V.; Somov, Nikolay V.; Zhuchkova, Elena M.; Lelet, Maxim I.; Rozov, Konstantin B.; Depmeier, Wulf; Krivovichev, Sergey V.; Alekseev, Evgeny V.","Polytypism and oxo-tungstate polyhedra polymerization in novel complex uranyl tungstates.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8512","8514","10.1039/c2dt31000g","","","0.71073","MoKα","","0.0594","0.0481","","","0.0992","0.1018","","","","","","1.075","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019658","9.4975","0.0002","10.571","0.0002","13.8196","0.0004","90","","92.473","0.001","90","","1386.17","0.06","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C32 H26 N3 Ni O P S -","- C32 H26 N3 Ni O P S -","- C64 H52 N6 Ni2 O2 P2 S2 -","2","1","","Prabhakaran, R.; Kalaivani, P.; Poornima, P.; Dallemer, F.; Paramaguru, G.; Vijaya Padma, V.; Renganathan, R.; Huang, R.; Natarajan, K.","One pot synthesis of structurally different mono and dimeric Ni(ii) thiosemicarbazone complexes and N-arylation on a coordinated ligand: a comparative biological study.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9323","9336","10.1039/c2dt12231f","","x-ray","0.71073","MoKα","","0.0572","0.0398","","","0.0988","0.1259","","","","","","1.128","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019694","9.599","0.002","10.528","0.003","10.456","0.003","90","","96.26","0.006","90","","1050.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 O P Ti -","- C24 H32 O P Ti -","- C48 H64 O2 P2 Ti2 -","2","1","","Chapman, Andy M.; Wass, Duncan F.","Cationic Ti(iv) and neutral Ti(iii) titanocene-phosphinoaryloxide frustrated Lewis pairs: hydrogen activation and catalytic amine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9067","9072","10.1039/c2dt30168g","","","1.54178","CuKα","","0.038","0.0377","","","0.1","0.1004","","","","","","1.025","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019710","14.0273","0.0012","22.194","0.002","14.8103","0.0013","90","","98.846","0.005","90","","4555.9","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H36 Ag3 N15 O14 P2 -","- C30 H30 Ag3 N15 O14 P2 -","- C120 H120 Ag12 N60 O56 P8 -","4","2","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.1424","0.0929","","","0.2212","0.2545","","","","","","1.002","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019721","12.676","0.003","20.958","0.004","14.496","0.003","90","","111.37","0.03","90","","3586.3","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H92 Ga N4 Na O2 -","- C82 H92 Ga N4 Na O2 -","- C164 H184 Ga2 N8 Na2 O4 -","2","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0965","0.0529","","","0.0783","0.0908","","","","","","1.031","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019744","9.6069","0.0019","17.796","0.004","10.21","0.002","90","","107.14","0.03","90","","1668","0.7","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","Gemphos","","","- C40 H35 B F4 P2 -","- C40 H35 B F4 P2 -","- C80 H70 B2 F8 P4 -","2","1","","Greb, Lutz; Oña-Burgos, Pascual; Kubas, Adam; Falk, Florian C.; Breher, Frank; Fink, Karin; Paradies, Jan","[2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9056","9060","10.1039/c2dt30374d","","","0.71073","MoKα","","0.0504","0.0411","","","0.0957","0.099","","","","","","0.966","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019745","9.4616","0.0019","18.149","0.004","10.749","0.002","90","","109.34","0.03","90","","1741.6","0.7","200","","200.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H47 B F4 P2 -","- C40 H47 B F4 P2 -","- C80 H94 B2 F8 P4 -","2","1","","Greb, Lutz; Oña-Burgos, Pascual; Kubas, Adam; Falk, Florian C.; Breher, Frank; Fink, Karin; Paradies, Jan","[2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9056","9060","10.1039/c2dt30374d","","","0.71073","MoKα","","0.129","0.0836","","","0.2051","0.227","","","","","","0.904","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019763","12.1189","0.0004","13.4744","0.0005","22.8621","0.0009","90","","98.743","0.002","90","","3689.9","0.2","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl F6 N2 P4 Pt -","- C38 H32 Cl F6 N2 P4 Pt -","- C152 H128 Cl4 F24 N8 P16 Pt4 -","4","2","","Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterolytic addition of E-H bonds across Pt-P bonds in Pt N-heterocyclic phosphenium/phosphido complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9083","9090","10.1039/c2dt30455d","","","0.71073","MoKα","","0.0552","0.0419","","0.0835","0.0794","0.0835","","","","","","0.9786","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019793","15.07","0.004","13.208","0.004","17.862","0.005","90","","97.089","0.008","90","","3528.2","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H82 B2 Cl2 F20 P2 -","- C73 H82 B2 Cl2 F20 P2 -","- C146 H164 B4 Cl4 F40 P4 -","2","1","","Ghattas, Ghazi; Chen, Dianjun; Pan, Fangfang; Klankermayer, Jürgen","Asymmetric hydrogenation of imines with a recyclable chiral frustrated Lewis pair catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9026","9028","10.1039/c2dt30536d","","","0.71073","MoKα","","0.1082","0.0699","","","0.1485","0.1736","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019805","6.618","0.003","8.378","0.004","9.974","0.005","90","","99.789","0.006","90","","545","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- B5 K2 O12 Sr V -","- B5 K2 O12 Sr V -","- B10 K4 O24 Sr2 V2 -","2","1","","Chen, Songjie; Pan, Shilie; Zhao, Wenwu; Yu, Hongwei; Wu, Hongping; Yang, Zhihua; Yang, Yun","A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K(2)SrVB(5)O(12).","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9202","9208","10.1039/c2dt30608e","","","0.71073","MoKα","","0.0616","0.0442","","","0.0807","0.0877","","","","","","0.889","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019887","7.6619","0.0004","5.8283","0.0003","19.2568","0.0009","90","","100.833","0.004","90","","844.6","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 Ni O8 -","- C17 H18 Ni O8 -","- C34 H36 Ni2 O16 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0426","0.037","","","0.0771","0.0814","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019888","7.6746","0.0005","5.861","0.0003","19.3632","0.001","90","","101.186","0.006","90","","854.43","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 Co O8 -","- C17 H18 Co O8 -","- C34 H36 Co2 O16 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0336","0.0293","","","0.056","0.0577","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019892","6.8443","0.0003","16.4131","0.0009","23.3284","0.001","90","","93.72","0.004","90","","2615.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H56 Cd2 N8 O12 -","- C54 H56 Cd2 N8 O12 -","- C108 H112 Cd4 N16 O24 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.096","0.0573","","","0.0797","0.0907","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019893","6.5495","0.0005","16.5696","0.0013","23.432","0.002","90","","91.632","0.008","90","","2541.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H56 N8 O12 Zn2 -","- C54 H56 N8 O12 Zn2 -","- C108 H112 N16 O24 Zn4 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.1325","0.0803","","","0.1434","0.1665","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020019","5.451","0.0003","15.0943","0.0009","18.1232","0.001","90","","93.661","0.002","90","","1488.12","0.15","90","0.1","90","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","2","","Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.","Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11093","11106","10.1039/c2dt31065a","","","1.54178","CuKα","","0.0346","0.0344","","","0.09","0.0902","","","","","","1.026","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020056","11.631","0.0013","6.7457","0.0008","11.9584","0.0013","90","","96.587","0.001","90","","932.05","0.18","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O2 Sn -","- C20 H19 Cl N2 O2 Sn -","- C40 H38 Cl2 N4 O4 Sn2 -","2","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0251","0.0226","","","0.047","0.048","","","","","","1.031","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020223","15.921","0.003","12.415","0.002","18.706","0.004","90","","112.928","0.003","90","","3405.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H72 Br2 N4 Ni -","- C82 H72 Br2 N4 Ni -","- C164 H144 Br4 N8 Ni2 -","2","1","","Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong","Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11999","12010","10.1039/c2dt30989k","","","0.71073","MoKα","","0.096","0.0779","","","0.1413","0.1536","","","","","","1.077","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020302","13.1092","0.0018","22.9446","0.0013","16.1544","0.0015","90","","101.522","0.003","90","","4761.1","0.8","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Dy4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0651","0.0521","","","0.107","0.1126","","","","","","1.013","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020303","13.1028","0.0012","23.2828","0.0018","16.3066","0.0013","90","","100.449","0.002","90","","4892.2","0.7","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Dy4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0632","0.0531","","","0.1197","0.1245","","","","","","1.064","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020304","13.0648","0.0014","23.3116","0.0011","16.3629","0.0015","90","","100.807","0.003","90","","4895.1","0.7","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C152 H229 Cl8 Co4 N8 O48.5 P12 Tb4 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0687","0.0534","","","0.0988","0.1013","","","","","","1.058","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020305","13.117","0.0016","23.0445","0.0018","16.185","0.0012","90","","101.49","0.003","90","","4794.3","0.8","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C152 H229 Cl8 Co4 N8 O48.5 P12 Tb4 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0555","0.0452","","","0.0858","0.0877","","","","","","1.081","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020306","13.0493","0.0016","22.9566","0.0018","16.141","0.002","90","","101.526","0.002","90","","4737.8","0.9","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Ho N2 O12.13 P3 -","- C38 H57.25 Cl2 Co Ho N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Ho4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0633","0.0532","","","0.1282","0.1324","","","","","","1.058","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020307","13.0518","0.0016","22.9487","0.0014","16.1451","0.0013","90","","101.638","0.003","90","","4736.4","0.8","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Ho N2 O12.125 P3 -","- C38 H57.25 Cl2 Co Ho N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Ho4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0736","0.0577","","","0.1142","0.1172","","","","","","1.064","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020308","8.583","0.0003","6.422","0.0003","9.2358","0.0004","90","","102.46","0.003","90","","497.09","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-tetrahydroacridine","","- C13 H13 N -","- C13 H13 N -","- C26 H26 N2 -","2","1","","Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.","Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14117","14125","10.1039/c2dt31205k","","","1.54184","CuKα","","0.039","0.0381","","","0.1047","0.1066","","","","","","1.08","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020309","6.2543","0.0004","7.8898","0.0005","10.5305","0.0007","90","","99.611","0.007","90","","512.34","0.06","290","2","290","2","","","","","","","","2","P 1 21 1","P 2yb","4","","1,2,3,4-tetrahydroanthracene","","- C14 H14 -","- C14 H14 -","- C28 H28 -","2","1","","Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.","Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14117","14125","10.1039/c2dt31205k","","","1.54184","CuKα","","0.0462","0.044","","","0.1311","0.1342","","","","","","1.103","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020342","18.75","0.009","29.698","0.013","24.19","0.011","90","","112.297","0.005","90","","12463","10","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Cr7Ni(Etglu)F3Piv15]2(3,8-phen)","","","- C178 H306 Cr14 F6 N4 Ni2 O70 -","- C178 H306 Cr14 F6 N4 Ni2 O70 -","- C356 H612 Cr28 F12 N8 Ni4 O140 -","2","1","","Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Controlling magnetic communication through aromatic bridges by variation in torsion angle.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13626","13631","10.1039/c2dt31292a","","","0.6889","Synchrotron","","0.1464","0.1059","","","0.2633","0.3202","","","","","","1.003","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020411","11.9538","0.0005","14.4075","0.0004","29.2856","0.0014","90","","93.809","0.002","90","","5032.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H53 Cl2 F6 N4 P3 Pt -","- C51 H53 Cl2 F6 N4 P3 Pt -","- C204 H212 Cl8 F24 N16 P12 Pt4 -","4","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.1889","0.0976","","","0.1597","0.1947","","","","","","1.026","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020415","9.8882","0.0002","11.9548","0.0003","12.1755","0.0003","90","","100.989","0.001","90","","1412.89","0.06","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C26 H29 F6 Fe2 N O3 P2 -","- C26 H29 F6 Fe2 N O3 P2 -","- C52 H58 F12 Fe4 N2 O6 P4 -","2","1","","Alvarez, M. Angeles; García, M Esther; González, Rocío; Ruiz, Miguel A.","Reactions of the phosphinidene-bridged complexes [Fe(2)(η(5)-C(5)H(5))(2)(μ-PR)(μ-CO)(CO)(2)] (R = Cy, Ph) with electrophiles based on p-block elements.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14498","14513","10.1039/c2dt31506h","","x-ray","0.71073","MoKα","","0.0369","0.0291","","","0.0805","0.1129","","","","","","1.242","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020428","6.0108","0.0005","7.1843","0.0007","15.6165","0.0018","90","0.004","90.004","0.004","90","0.007","674.37","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C12 H10 Br2 Se2 -","- C12 H10 Br2 Se2 -","- C24 H20 Br4 Se4 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in (p-XC(6)H(4))SeCl(3) and (p-XC(6)H(4))SeBr(3) (X = F, Cl) compounds. Co-crystallisation of cis- and trans-dimeric forms of (p-ClC(6)H(4))SeCl(2)(μ-Cl)(2)(p-ClC(6)H(4))SeCl(2). A new structural modification for the ""PhSeBr"" reagent, Ph(2)Se(2)Br(2), containing an elongated Se-Se bond.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14583","14593","10.1039/c2dt31539d","","x-ray","0.71073","MoKα","","0.1222","0.0886","","","0.213","0.2544","","","","","","1.068","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020598","9.0828","0.0003","20.1071","0.0006","10.2803","0.0003","90","","95.118","0.002","90","","1869.99","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H33 Cu N11 O10 Tb W -","- C28 H21 Cu N11 O10 Tb W -","- C56 H42 Cu2 N22 O20 Tb2 W2 -","2","1","","Visinescu, Diana; Jeon, Ie-Rang; Madalan, Augustin M.; Alexandru, Maria-Gabriela; Jurca, Bogdan; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius","Self-assembly of [Cu(II)Tb(III)](3+) and [W(CN)(8)](3-) tectons: a case study of a mixture containing two complexes showing slow-relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13578","13581","10.1039/c2dt32081a","","","0.71073","MoKα","","0.0494","0.0361","","","0.0609","0.0645","","","","","","0.997","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020625","11.4816","0.0009","6.686","0.0005","12.0068","0.0009","90","","96.559","0.001","90","","915.68","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H24 Cl2 N4 O1.5 Pt -","- C17 H20 Cl2 N4 O1.5 Pt -","- C34 H40 Cl4 N8 O3 Pt2 -","2","1","","Garbutcheon-Singh, K Benjamin; Leverett, Peter; Myers, Simon; Aldrich-Wright, Janice R","Cytotoxic platinum(II) intercalators that incorporate 1R,2R-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","918","926","10.1039/c2dt31323e","","","0.71073","MoKα","","0.0195","0.0174","","","0.041","0.0417","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020626","11.5777","0.0006","7.0009","0.0004","12.5079","0.0007","90","","93.125","0.001","90","","1012.31","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl2 N4 O2 Pt -","- C18 H26 Cl2 N4 O2 Pt -","- C36 H52 Cl4 N8 O4 Pt2 -","2","1","","Garbutcheon-Singh, K Benjamin; Leverett, Peter; Myers, Simon; Aldrich-Wright, Janice R","Cytotoxic platinum(II) intercalators that incorporate 1R,2R-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","918","926","10.1039/c2dt31323e","","","0.71073","MoKα","","0.0159","0.0154","","","0.0385","0.0387","","","","","","1.084","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020636","12.8163","0.0008","25.5882","0.0014","17.7677","0.001","90","","110.436","0.001","90","","5460.1","0.5","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C102 H126 F12 Ir4 N12 O19 S4 -","- C96 H92 F12 Ir4 N12 O16 S4 -","- C192 H184 F24 Ir8 N24 O32 S8 -","2","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.0664","0.0541","","","0.1421","0.1497","","","","","","1.059","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020646","9.8836","0.0004","12.8681","0.0004","10.9817","0.0004","90","","99.384","0.003","90","","1378","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","Liu, Tingzhi; Luo, Daibing; Xu, Dingguo; Zeng, Hongmei; Lin, Zhien","An open-framework rutile-type magnesium isonicotinate and its structural analogue with an anatase topology.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","368","371","10.1039/c2dt31394d","","","0.71073","MoKα","","0.0901","0.0783","","","0.2689","0.2805","","","","","","1.166","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020674","9.0425","0.001","17.8358","0.0019","11.7838","0.0013","90","","110.328","0.003","90","","1782.1","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H41 F8.44 N8 O4.37 P1.41 Re1.59 -","- C26 H41 F8.442 N8 O4.372 P1.407 Re1.593 -","- C52 H82 F16.884 N16 O8.744 P2.814 Re3.186 -","2","1","","Lum, Regina; Zhang, Hu; Zhang, Wenhua; Bai, Shi-Qiang; Zhao, Jin; Hor, T. S. Andy","Trans [O=Re(V)-OH] core stabilised by chelating N-heterocyclic dicarbene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","871","873","10.1039/c2dt31681a","","","0.71073","MoKα","","0.045","0.0444","","","0.1039","0.1042","","","","","","1.27","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020758","10.588","0.004","14.583","0.005","11.873","0.004","90","","116.01","0.02","90","","1647.6","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl3 O6 P2 Pt -","- C29 H43 Cl3 O6 P2 Pt -","- C58 H86 Cl6 O12 P4 Pt2 -","2","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0216","0.0197","","","0.0397","0.0402","","","","","","0.778","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020774","11.039","0.004","10.854","0.005","14.61","0.006","90","","100.892","0.01","90","","1719","1.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H61 O P -","- C37 H61 O P -","- C74 H122 O2 P2 -","2","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.0765","","","","0.2115","","","","","","1.082","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020867","10.3393","0.0012","7.2348","0.0006","14.4078","0.0015","90","","100.337","0.013","90","","1060.25","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 Eu O8 -","- C24 H19 Eu O8 -","- C48 H38 Eu2 O16 -","2","1","","Zeng, Cheng-Hui; Zhao, Fu-Li; Yang, Yang-Yi; Xie, Ming-Yuan; Ding, Xue-Mei; Hou, De-Jian; Ng, Seik Weng","Unusual method for phenolic hydroxyl bridged lanthanide CPs: Syntheses, characterization, one and two photon luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2052","2061","10.1039/c2dt32233a","","","1.54178","CuKα","","0.0422","0.0408","","","0.1083","0.1105","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021000","9.5992","0.0002","14.1248","0.0003","10.3387","0.0002","90","","90.272","0.002","90","","1401.78","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18.4 H32.1 Br4 N4.7 O Pt S -","- C17 H30 Br4 N4 O Pt S -","- C34 H60 Br8 N8 O2 Pt2 S2 -","2","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0338","0.0331","","","0.0832","0.0838","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021001","9.3908","0.0002","13.8861","0.0002","10.1824","0.0002","90","","90.069","0.002","90","","1327.8","0.04","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H33 Cl4 N5 O Pt S -","- C19 H33 Cl4 N5 O Pt S -","- C38 H66 Cl8 N10 O2 Pt2 S2 -","2","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.027","0.0252","","","0.0593","0.0604","","","","","","1.032","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021095","7.0932","0.0014","8.615","0.0017","8.1921","0.0016","90","","112.18","0.03","90","","463.56","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H8 N2 O7 V2 Zn2 -","- C2 H8 N2 O7 V2 Zn2 -","- C4 H16 N4 O14 V4 Zn4 -","2","1","","Zhou, Jian; Liu, Xing; Chen, Rong; Hu, Feilong; Zou, Huahong; Wei, Meixiao","A 3-D chiral organic-inorganic hybrid zinc vanadate assembled from helical units.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5603","5606","10.1039/c2dt32670a","","","0.71073","MoKα","","0.0175","0.0173","","","0.0401","0.0401","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021127","10.687","0.002","14.147","0.003","15.029","0.003","90","","95.572","0.006","90","","2261.5","0.8","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H69 Cl2 N2 P Pd -","- C45 H69 Cl2 N2 P Pd -","- C90 H138 Cl4 N4 P2 Pd2 -","2","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0498","0.0419","","","0.0953","0.1116","","","","","","0.826","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021144","9.5931","0.0019","12.862","0.003","11.787","0.002","90","","113.4","0.03","90","","1334.7","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 Pd -","- C29 H32 N2 O4 Pd -","- C58 H64 N4 O8 Pd2 -","2","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0567","0.051","","","0.09","0.0933","","","","","","1.102","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021239","6.6344","0.0012","7.794","0.003","10.419","0.002","90","","99.716","0.005","90","","531","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H6 Cd Cl N3 O3 S -","- C8 H6 Cd Cl N3 O3 S -","- C16 H12 Cd2 Cl2 N6 O6 S2 -","2","1","","Gómez, Verónica; Lillo, Vanesa; Escudero-Adán, Eduardo C; Martin, Eddy; Galán-Mascarós, José Ramón","Aqueous synthesis of sulfonate-functionalized 1,2,4-triazole ligands and their 2D Cd(2+) coordination networks: crystal structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6374","6380","10.1039/c3dt33066d","","","0.71073","MoKα","","0.0226","0.021","","","0.0572","0.0648","","","","","","1.16","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021386","7.6672","0.0009","23.6258","0.0017","10.9468","0.0011","90","0.001","96.389","0.012","90","0.012","1970.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H29 Rh -","- C25 H29 Rh -","- C100 H116 Rh4 -","4","2","","Laï, Richard; Daran, Jean-Claude; Nuel, Didier; Sanz, Martial; Summerton, Nick; Vanthuyne, Nicolas; Zaragori-Benedetti, Anaïs","Synthesis and reactivity of a cyclopentadienyl-indenyl ligand ring-coupled by a chiral bridge derived from ethyl (S)-(-) lactate.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7980","7990","10.1039/c3dt33019b","","","0.7107","MoKα","","0.021","0.0199","","","0.0495","0.0506","","","","","","1.02","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021423","8.8084","0.0015","17.251","0.003","11.59","0.003","90","","105.709","0.015","90","","1695.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","97229z","","","- C38 H37 Cl2 N P2 Ru -","- C38 H37 Cl2 N P2 Ru -","- C76 H74 Cl4 N2 P4 Ru2 -","2","1","","Ma, Erin S. F.; Mudalige, Dona C.; Patrick, Brian O.; James, Brian R.","Comparative properties of coordinated H2 and H2S at a ruthenium(ii) centre.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7614","7621","10.1039/c3dt50314c","","","0.71073","MoKα","","0.0216","0.0208","","","0.053","0.0534","","","","","","1.022","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021447","9.8014","0.0005","28.7693","0.0014","19.737","0.001","90","","90.447","0.005","90","","5565.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","18-Crown-6-potassium triphenyl-carbon","","","- C31 H39 K O6 -","- C31 H39 K O6 -","- C248 H312 K8 O48 -","8","4","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0743","0.0422","","","0.0735","0.0781","","","","","","0.869","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021460","15.0407","0.0008","29.2565","0.0015","15.7377","0.0008","90","","96.336","0.001","90","","6882.9","0.6","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Gd[15-MC Cu(II), L-homophenylalanineHA-5](adipate)(nitrate)0.5","","- C112 H170.5 Cu10 Gd2 N22 O51.25 -","- C112 H136 Cu10 Gd2 N22 O51.25 -","- C224 H272 Cu20 Gd4 N44 O102.5 -","2","1","","Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.","Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9803","9808","10.1039/c3dt50535a","","","0.71073","MoKα","","0.0262","0.0249","","","0.0669","0.0676","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021461","16.23","0.004","28.842","0.007","17.042","0.004","90","","102.679","0.014","90","","7783","3","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[LaCu5(C8H8N2O2)5(C6H8O4)2]2(NO3)0.5(OH)1.5(H2O)32)","","- C97 H161.5 Cu10 La2 N20.5 O63 -","- C92 H96 Cu10 La2 N20.5 O63.5 -","- C184 H192 Cu20 La4 N41 O127 -","2","1","","Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.","Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9803","9808","10.1039/c3dt50535a","","","0.71073","MoKα","","0.0569","0.0514","","","0.1427","0.1468","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021505","13.6525","0.0011","9.9457","0.0008","13.7064","0.0011","90","","113.177","0.005","90","","1710.9","0.2","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H20 B F10 N P2 -","- C38 H20 B F10 N P2 -","- C76 H40 B2 F20 N2 P4 -","2","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","1.54178","CuKα","","0.0542","0.0482","","","0.1209","0.1246","","","","","","1.054","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021611","9.3304","0.0011","18.403","0.002","12.1985","0.0014","90","","102.631","0.003","90","","2043.9","0.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42 F2 N8 O6 V2 -","- C42 H42 F2 N8 O6 V2 -","- C84 H84 F4 N16 O12 V4 -","2","1","","Moriuchi, Toshiyuki; Ikeuchi, Kousuke; Hirao, Toshikazu","Synthesis of vanadium(v) hydrazido complexes with tris(2-hydroxyphenyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11824","11830","10.1039/c3dt50533b","","","0.71075","MoKα","","0.1353","0.0742","","","0.1511","0.1803","","","","","","0.97","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021645","9.2208","0.0018","16.675","0.003","15.634","0.003","90","","105.27","0.03","90","","2319","0.8","119","2","119","2","","","","","","","","6","P 1 21 1","P 2yb","4","tris(trimethylphosphine)-(3,5-bis(trifluoromethyl) pyrazolate)cobalt(i)","tris(trimethylphosphine)-(3,5-bis(trifluoromethyl) pyrazolate)cobalt(i)","","- C14 H28 Co F6 N2 P3 -","- C14 H28 Co F6 N2 P3 -","- C56 H112 Co4 F24 N8 P12 -","4","2","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71073","MoKα","","0.0921","0.0562","","","0.104","0.1155","","","","","","1.095","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021681","6.1039","0.0001","18.2392","0.0004","14.3543","0.0003","90","","97.138","0.001","90","","1585.68","0.05","133","2","133.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl3 N O9 V -","- C30 H31 Cl3 N O9 V -","- C60 H62 Cl6 N2 O18 V2 -","2","1","","Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried","Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11812","11823","10.1039/c3dt50890k","","","0.71073","MoKα","","0.0269","0.0257","","","0.0599","0.0607","","","","","","1.07","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021696","16.508","0.0005","17.4618","0.0005","28.2773","0.0009","90","","90.195","0.002","90","","8151.2","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C94 H72 As2 Cu2 N8 O12 -","- C94 H72 As2 Cu2 N8 O12 -","- C376 H288 As8 Cu8 N32 O48 -","4","2","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.7749","synchrotron","","0.1722","0.0865","","","0.2182","0.2786","","","","","","0.971","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021697","17.1177","0.0006","17.4161","0.0006","28.77","0.0009","90","","90.228","0.002","90","","8576.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H78 As2 Cu2 N10 O12 -","- C98 H78 As2 Cu2 N10 O12 -","- C392 H312 As8 Cu8 N40 O48 -","4","2","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.71073","MoKα","","0.1267","0.0791","","","0.2007","0.2312","","","","","","1.019","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021699","20.9348","0.0006","17.0379","0.0005","58.1561","0.0017","90","","98.473","0.002","90","","20517","1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C141 H114 As3 Cu3 N12 O21 -","- C141 H108 As3 Cu3 N12 O21 -","- C846 H648 As18 Cu18 N72 O126 -","6","3","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.71073","MoKα","","0.1589","0.1193","","","0.2793","0.3022","","","","","","1.014","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021829","7.5532","0.0005","9.1933","0.0006","8.2722","0.0005","90","","100.225","0.001","90","","565.29","0.06","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C8 H18 N2 Ni O6 -","- C8 H18 N2 Ni O6 -","- C16 H36 N4 Ni2 O12 -","2","1","","Trifunović, Srećko R; Miletić, Vesna D; Jevtić, Verica V; Meetsma, Auke; Matović, Zoran D","Nickel(ii) in chelate N2O2 environment. DFT approach and in-depth molecular orbital and configurational analysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13357","13368","10.1039/c3dt51099a","","","0.71073","MoKα","","0.0278","0.027","","","0.0685","0.0689","","","","","","1.055","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021837","4.6705","0.0001","13.9784","0.0003","12.7548","0.0002","90","","94.458","0.002","90","","830.19","0.03","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H14 F3 N O2 Pt S -","- C17 H14 F3 N O2 Pt S -","- C34 H28 F6 N2 O4 Pt2 S2 -","2","1","","Haghighi, Mohsen Golbon; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Selectivity in metal-carbon bond protonolysis in p-tolyl- (or methyl)-cycloplatinated(ii) complexes: kinetics and mechanism of the uncatalyzed isomerization of the resulting Pt(ii) products.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13369","13380","10.1039/c3dt51339d","","","1.54178","","","0.0357","0.0339","","","0.0931","0.0948","","","","","","1.107","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021908","10.133","0.0011","12.8723","0.0014","15.0542","0.0016","90","","91.126","0.001","90","","1963.2","0.4","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H38 N2 P2 Pd Se2 -","- C46 H38 N2 P2 Pd Se2 -","- C92 H76 N4 P4 Pd2 Se4 -","2","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71073","MoKα","","0.0485","0.044","","","0.1128","0.1162","","","","","","1.037","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021940","13.2275","0.0003","17.0537","0.0007","16.5692","0.0006","90","","95.948","0.003","90","","3717.5","0.2","","","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C128 H181 Li3 N24 Ni12 O14 -","- C128 Li2.26 N24 Ni12 O14 -","- C128 Li2.26 N24 Ni12 O14 -","1","0.5","","Stokes, Francesca A.; Vincent, Mark A.; Hillier, Ian H.; Ronson, Tanya K.; Steiner, Alexander; Wheatley, Andrew E. H.; Wood, Paul T.; Wright, Dominic S.","Reactions of Cp2M (M = Ni, V) with dilithium diamido-aryl reagents; retention and oxidation of the transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13923","13930","10.1039/c3dt51632f","","","0.6889","synchrotron","","0.2344","0.1384","","","0.3256","0.3662","","","","","","1.016","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021946","10.8012","0.0002","18.7802","0.0004","18.7036","0.0004","90","","102.822","0.0012","90","","3699.39","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H99 Cl N2 Pt -","- C87 H99 Cl N2 Pt -","- C174 H198 Cl2 N4 Pt2 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Reversible insertion of carbon dioxide into Pt(ii)-hydroxo bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14742","14748","10.1039/c3dt51701b","","","0.71073","MoKα","","0.0912","0.0683","","","0.1472","0.1642","","","","","","1.081","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022039","11.6878","0.0009","29.465","0.003","20.484","0.002","90","","100.581","0.002","90","","6934.4","1.1","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H92 Cl2 N4 O4 Si4 Y2 -","- C68 H92 Cl2 N4 O4 Si4 Y2 -","- C272 H368 Cl8 N16 O16 Si16 Y8 -","4","2","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.1694","0.0918","","","0.2065","0.2552","","","","","","1.013","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022064","8.2312","0.0002","15.6958","0.0004","8.7803","0.0002","90","","99.098","0.002","90","","1120.1","0.05","446","2","446","2","","","","","","","","5","P 1 21 1","P 2yb","4","Oxomolybdenum(VI/V) imidazole hydrate","","","- C12 H18 Mo3 N8 O9 -","- C12 H18 Mo3 N8 O9 -","- C24 H36 Mo6 N16 O18 -","2","1","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0312","0.0271","","","0.068","0.07","","","","","","0.741","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022086","7.574","0.005","9.985","0.005","7.598","0.005","90","","100.723","0.008","90","","564.6","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs2 F6 Mn2 O6 P2 -","- Cs2 F6 Mn2 O6 P2 -","- Cs4 F12 Mn4 O12 P4 -","2","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71075","MoKα","","0.0538","0.0515","","","0.1133","0.1148","","","","","","1.104","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022126","7.5389","0.0005","9.8159","0.0005","9.8152","0.0006","90","","95.303","0.005","90","","723.23","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H11 B F2 N2 O2 -","- C18 H11 B F2 N2 O2 -","- C36 H22 B2 F4 N4 O4 -","2","1","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0427","0.032","","","0.0603","0.0622","","","","","","0.886","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022223","9.8303","0.0007","21.6994","0.0015","11.6696","0.0008","90","","94.951","0.001","90","","2480","0.3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H51 B Cu F4 N5 O2 P2 -","- C50 H51 B Cu F4 N5 O2 P2 -","- C100 H102 B2 Cu2 F8 N10 O4 P4 -","2","1","","Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo","New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","997","1010","10.1039/c2dt32056h","","","0.71073","MoKα","","0.1288","0.0646","","","0.1672","0.2087","","","","","","0.989","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022231","12.005","0.002","15.948","0.003","13.217","0.003","90","","114.872","0.004","90","","2295.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H64 La N3 Si2 -","- C46 H64 La N3 Si2 -","- C92 H128 La2 N6 Si4 -","2","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.7107","MoKα","","0.0372","0.0332","","","0.0782","0.081","","","","","","1.125","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022260","6.9205","0.0007","15.7116","0.0016","13.5636","0.0014","90","","98.248","0.001","90","","1459.5","0.3","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H25 Br2 F Mn N2 O6 P -","- C26 H25 Br2 F Mn N2 O6 P -","- C52 H50 Br4 F2 Mn2 N4 O12 P2 -","2","1","","Wang, Ting-Ting; Bao, Song-Song; Huang, Jian; Li, Yi-Zhi; Zheng, Li-Min","Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1842","1847","10.1039/c2dt32171h","","","0.71073","MoKα","","0.0693","0.0584","","","0.1149","0.1171","","","","","","1.142","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022261","6.9095","0.0017","15.6772","0.0013","13.5492","0.0015","90","","98.441","0.003","90","","1451.8","0.4","163","2","163","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H25 Br2 F Mn N2 O6 P -","- C26 H25 Br2 F Mn N2 O6 P -","- C52 H50 Br4 F2 Mn2 N4 O12 P2 -","2","1","","Wang, Ting-Ting; Bao, Song-Song; Huang, Jian; Li, Yi-Zhi; Zheng, Li-Min","Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1842","1847","10.1039/c2dt32171h","","","0.71073","MoKα","","0.0667","0.0559","","","0.119","0.1216","","","","","","1.022","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022262","6.9258","0.0008","15.9043","0.0019","13.5363","0.0016","90","","98.125","0.002","90","","1476.1","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H31 Br2 Mn N2 O7 P -","- C28 H32 Br2 Mn N2 O7 P -","- C56 H64 Br4 Mn2 N4 O14 P2 -","2","1","","Wang, Ting-Ting; Bao, Song-Song; Huang, Jian; Li, Yi-Zhi; Zheng, Li-Min","Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1842","1847","10.1039/c2dt32171h","","","0.71073","MoKα","","0.0671","0.0564","","","0.1174","0.1197","","","","","","1.098","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022269","10.4149","0.0008","6.5584","0.0004","10.4074","0.0008","90","","99.817","0.002","90","","700.47","0.09","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13.4 Cl2 Cu N5 O0.2 -","- C9 H13.4 Cl2 Cu N5 O0.2 -","- C18 H26.8 Cl4 Cu2 N10 O0.4 -","2","1","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0537","0.0446","","","0.1204","0.1273","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022286","8.501","0.002","16.505","0.003","11.134","0.003","90","","106.599","0.003","90","","1497.1","0.6","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C24 H45 F6 O P3 Pd -","- C24 H45 F6 O P3 Pd -","- C48 H90 F12 O2 P6 Pd2 -","2","1","","Rossin, Andrea; Bottari, Giovanni; Lozano-Vila, Ana M; Paneque, Margarita; Peruzzini, Maurizio; Rossi, Andrea; Zanobini, Fabrizio","Catalytic amine-borane dehydrogenation by a PCP-pincer palladium complex: a combined experimental and DFT analysis of the reaction mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3533","3541","10.1039/c2dt32273k","","x-ray","0.71069","MoKα","","0.0373","0.031","","","0.0679","0.0727","","","","","","1.049","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022311","8.2201","0.0001","17.5934","0.0003","10.043","0.0002","90","","104.689","0.0009","90","","1404.94","0.04","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br4 Hg2 N4 -","- C26 H24 Br4 Hg2 N4 -","- C52 H48 Br8 Hg4 N8 -","2","1","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0383","0.0318","","","0.0698","0.0731","","","","","","1.042","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022342","9.13","0.003","9.212","0.004","15.212","0.006","90","","97.672","0.006","90","","1268","0.9","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl Mo N5 O2 -","- C27 H24 Cl Mo N5 O2 -","- C54 H48 Cl2 Mo2 N10 O4 -","2","1","","Álvarez, Celedonio M; García-Escudero, Luis A; García-Rodríguez, Raúl; Miguel, Daniel","Schiff plus click: one-pot preparation of triazole-substituted iminopyridines and ring opening of the triazole ring.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2556","2561","10.1039/c2dt32400h","","","0.71073","MoKα","","0.0401","0.0297","","","0.0742","0.0768","","","","","","1.005","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022430","11.4321","0.0002","7.8038","0.0001","16.3214","0.0002","90","","102.444","0.001","90","","1421.89","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","syn-Mo(dpma-mes)(NMe2)(N)","","","- C31 H39 Mo N5 -","- C31 H39 Mo N5 -","- C62 H78 Mo2 N10 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","1.54178","CuKα","","0.0204","0.0202","","","0.0528","0.0528","","","","","","1.128","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022431","8.8989","0.0003","17.1612","0.0007","11.0168","0.0004","90","","112.552","0.001","90","","1553.79","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zr(dpmames)(NMe2)2","","","- C33 H45 N5 Zr -","- C33 H45 N5 Zr -","- C66 H90 N10 Zr2 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","0.71073","MoKα","","0.0636","0.0493","","","0.112","0.1199","","","","","","1.029","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022432","9.3493","0.0009","16.361","0.002","11.4593","0.0013","90","","111.503","0.007","90","","1630.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zr(dpma-mes)(NHNMe2)2","","","- C33 H47 N7 Zr -","- C33 H47 N7 Zr -","- C66 H94 N14 Zr2 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","1.54178","CuKα","","0.1065","0.0613","","","0.122","0.1457","","","","","","1.014","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022444","6.338","0.004","6.697","0.004","7.977","0.005","90","","97.946","0.007","90","","335.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dichloro(methylsulfanylmethane)selenium(II)","","- C2 H6 Cl2 S Se -","- C2 H6 Cl2 S Se -","- C4 H12 Cl4 S2 Se2 -","2","1","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0207","0.0198","","","0.0452","0.0457","","","","","","0.734","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022469","11.269","0.002","14.216","0.003","14.794","0.003","90","","106.79","0.03","90","","2269","0.9","153","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H46 Cl4 Hg2 N6 -","- C48 H46 Cl4 Hg2 N6 -","- C96 H92 Cl8 Hg4 N12 -","2","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0291","0.0249","","","0.0509","0.0526","","","","","","0.739","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022484","9.3619","0.0006","22.6503","0.0015","9.6061","0.0006","90","","94.871","0.001","90","","2029.6","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 Cd2 N8 O10 -","- C44 H32 Cd2 N8 O10 -","- C88 H64 Cd4 N16 O20 -","2","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0197","0.0188","","","0.0439","0.0443","","","","","","1.032","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022518","14.159","0.002","10.235","0.004","14.801","0.002","90","","92.574","0.007","90","","2142.8","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H73 Al N2 O2 -","- C44 H73 Al N2 O2 -","- C88 H146 Al2 N4 O4 -","2","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Aluminium salalen complexes based on 1,2-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9279","9285","10.1039/c3dt00021d","","","0.71073","MoKα","","0.0691","0.0457","","","0.0993","0.1097","","","","","","1.033","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022549","23.31","0.002","15.3407","0.0015","23.684","0.002","90","","113.845","0.003","90","","7746.3","1.2","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","TMOF-2b","","","- C73 H52.25 N2.25 O15.25 Zn4 -","- C72.945 H52.205 N2.315 O15.315 Zn4 -","- C291.78 H208.82 N9.26 O61.26 Zn16 -","4","2","","Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.","New metal-organic frameworks from triptycene: structural diversity from bulky bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8026","8033","10.1039/c3dt00079f","","","0.71073","MoKα","","0.0946","0.075","","","0.2051","0.2219","","","","","","1.032","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022584","13.404","0.005","14.089","0.005","18.924","0.007","90","","109.268","0.007","90","","3374","2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H108 Cr2 N4 O Si2 -","- C68 H108 Cr2 N4 O Si2 -","- C136 H216 Cr4 N8 O2 Si4 -","2","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.1285","0.0745","","","0.1277","0.1533","","","","","","1.025","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022799","10.4641","0.0002","17.3566","0.0005","14.2244","0.0004","90","","90.861","0.001","90","","2583.16","0.12","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C46 H54 Au2 F6 N4 O6 P2 S2 -","- C46 H54 Au2 F6 N4 O6 P2 S2 -","- C92 H108 Au4 F12 N8 O12 P4 S4 -","2","1","","Bobin, Mariusz; Day, Iain J.; Roe, Stephen M.; Viseux, Eddy M. E.","Insights into the mechanism for gold catalysis: behaviour of gold(I) amide complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6592","6602","10.1039/c3dt33039g","","x-ray","0.71073","MoKα","","0.0665","0.0511","","","0.1053","0.1107","","","","","","1.063","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022832","13.6998","0.0007","17.3673","0.0009","15.5199","0.0008","90","","90.248","0.001","90","","3692.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H55 Cl2 N2 O2 Y -","- C36 H55 Cl2 N2 O2 Y -","- C144 H220 Cl8 N8 O8 Y4 -","4","2","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.075","0.0513","","","0.115","0.125","","","","","","0.923","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022851","12.645","0.003","19.187","0.005","19.06","0.005","90","","90.188","0.003","90","","4624","2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H74 Co6 N8 O81 Si2 W18 -","- C14 H51 Co6 N8 O81 Si2 W18 -","- C28 H102 Co12 N16 O162 Si4 W36 -","2","1","","Guo, Jiuyu; Zhang, Deng; Chen, Lei; Song, You; Zhu, Dunru; Xu, Yan","Syntheses, structures and magnetic properties of two unprecedented hybrid compounds constructed from open Wells-Dawson anions and high-nuclear transition metal clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8454","8459","10.1039/c3dt50155h","","","0.71073","MoKα","","0.0379","0.0325","","","0.0804","0.0833","","","","","","1.036","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022881","15.1219","0.0003","11.6115","0.0004","16.1272","0.0003","90","","111.904","0.001","90","","2627.32","0.12","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C96 H172 Br4 P8 Pd4 -","4","2","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.039","0.0323","","","0.0617","0.0638","","","","","","1.066","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022889","6.1278","0.0004","21.8261","0.0013","23.286","0.0013","90","","93.091","0.001","90","","3109.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C128 H176 N8 O24 -","8","4","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Anionic 3D cage networks self-assembled by iodine and V-shaped pentaiodides using dimeric oxoammonium cations produced in situ as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8788","8795","10.1039/c3dt50191d","","","0.71073","MoKα","","0.0707","0.0526","","","0.1377","0.1516","","","","","","1.041","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7023000","10.9836","0.0007","15.158","0.0007","13.1324","0.0008","90","","107.2","0.005","90","","2088.6","0.2","110","2","110","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetraethanido - bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetraethanido -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)","","- C30 H70 Cu2 Ga2 P2 S4 -","- C30 H70 Cu2 Ga2 P2 S4 -","- C60 H140 Cu4 Ga4 P4 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0268","0.023","","","0.0494","0.0502","","","","","","0.974","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023055","8.4342","0.0003","7.2543","0.0002","9.661","0.0003","90","","103.079","0.002","90","","575.77","0.03","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I N O2 Si -","- C8 H14 I N O2 Si -","- C16 H28 I2 N2 O4 Si2 -","2","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.0271","0.0242","","","0.0481","0.0495","","","","","","1.03","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023247","6.90185","0.00015","15.767","0.0004","10.3916","0.0003","90","","93.706","0.002","90","","1128.46","0.05","199.95","0.1","199.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H15 N2 O S4 Sn -","- C20 H14 N2 O S4 Sn -","- C40 H28 N4 O2 S8 Sn2 -","2","1","","Recatalá, David; Gushchin, Artem L.; Llusar, Rosa; Galindo, F.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Kitamura, Noboru","Dithiolene dimetallic molybdenum(V) complexes displaying intraligand charge transfer (ILCT) emission.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12947","12955","10.1039/c3dt51102b","","","0.7107","MoKα","","0.0406","0.0338","","","0.0729","0.0791","","","","","","1.072","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023307","12.079","0.001","5.832","0.001","12.562","0.001","90","","115.528","0.001","90","","798.54","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Bousrez, Guillaume; Jaroschik, Florian; Martinez, Agathe; Harakat, Dominique; Nicolas, Emmanuel; Le Goff, Xavier F.; Szymoniak, Jan","Reactivity differences between 2,4- and 2,5-disubstituted zirconacyclopentadienes: a highly selective and general approach to 2,4-disubstituted phospholes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10997","11004","10.1039/c3dt51158h","","","0.71069","MoKα","","0.0378","0.0359","","","0.0788","0.0806","","","","","","1.064","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023309","10.5635","0.0001","14.7654","0.0001","11.8752","0.0001","90","","107.283","0.001","90","","1768.6","0.03","293","2","293","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl5 N6 O2 P Ru -","- C30 H34 Cl5 N6 O2 P Ru -","- C60 H68 Cl10 N12 O4 P2 Ru2 -","2","1","","Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena","Antitumor activity of new enantiopure pybox-ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13955","13967","10.1039/c3dt51160j","","","1.54184","CuKα","","0.0441","0.0376","","","0.0974","0.116","","","","","","1.103","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023315","8.2987","0.0012","38.281","0.005","8.8978","0.0013","90","","92.463","0.004","90","","2824.1","0.7","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H50 F12 N14 O3 P2 Ru2 -","- C45 H50 F12 N14 O3 P2 Ru2 -","- C90 H100 F24 N28 O6 P4 Ru4 -","2","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0443","0.0409","","","0.0912","0.0931","","","","","","1.067","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023323","9.1386","0.0007","6.5567","0.0005","11.6157","0.0008","90","","94.023","0.006","90","","694.29","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O7 -","- C15 H14 O7 -","- C30 H28 O14 -","2","1","","Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin","A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11976","11980","10.1039/c3dt51177d","","","0.71073","MoKα","","0.0426","0.0331","","","0.0632","0.0647","","","","","","1.009","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023327","6.3154","0.0004","12.297","0.0007","12.3905","0.0009","90","","97.703","0.007","90","","953.57","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C42 H44 N8 O6 -","2","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Upadhyay, K. K.","A Zn(2+)-responsive highly sensitive fluorescent probe and 1D coordination polymer based on a coumarin platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13078","13083","10.1039/c3dt51182k","","","0.71073","MoKα","","0.0937","0.0546","","","0.1123","0.134","","","","","","1.028","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023350","8.8002","0.0005","28.1813","0.0015","12.2161","0.0007","90","","97.603","0.001","90","","3003","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H70 Cl2 F12 N6 O Rh2 Sb2 -","- C50 H70 Cl2 F12 N6 O Rh2 Sb2 -","- C100 H140 Cl4 F24 N12 O2 Rh4 Sb4 -","2","1","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0614","0.048","","","0.1113","0.1179","","","","","","1.03","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023351","11.7614","0.0005","19.2349","0.0008","12.7525","0.0005","90","","112.635","0.001","90","","2662.77","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl F6 Ir N3 Sb -","- C23 H30 Cl F6 Ir N3 Sb -","- C92 H120 Cl4 F24 Ir4 N12 Sb4 -","4","2","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0262","0.0248","","","0.0578","0.0583","","","","","","1.013","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023352","10.8788","0.0015","22.48","0.003","12.2248","0.0017","90","","100.898","0.002","90","","2935.7","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl F6 Ir N3 Sb -","- C27 H32 Cl F6 Ir N3 Sb -","- C108 H128 Cl4 F24 Ir4 N12 Sb4 -","4","2","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0436","0.0362","","","0.0751","0.0784","","","","","","0.999","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023353","8.1017","0.0009","10.959","0.0013","17.954","0.002","90","","99.055","0.001","90","","1574.2","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H33 F12 N3 O1.5 Rh Sb2 -","- C23 H32 F12 N3 O1.5 Rh Sb2 -","- C46 H64 F24 N6 O3 Rh2 Sb4 -","2","1","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.041","0.0379","","","0.0973","0.0992","","","","","","1.036","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023354","8.1389","0.0005","10.975","0.0006","17.851","0.001","90","","99.176","0.001","90","","1574.13","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H33 F12 Ir N3 O1.5 Sb2 -","- C23 H32 F12 Ir N3 O1.5 Sb2 -","- C46 H64 F24 Ir2 N6 O3 Sb4 -","2","1","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0302","0.0288","","","0.0729","0.0739","","","","","","0.942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023385","9.5776","0.0019","21.887","0.004","11.26","0.002","90","","106.34","0.03","90","","2265","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 B Fe N2 O P4 -","- C50 H51 B Fe N2 O P4 -","- C100 H102 B2 Fe2 N4 O2 P8 -","2","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.1216","0.0842","","","0.0865","0.0946","","","","","","1.067","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023473","10.4873","0.0015","19.489","0.003","11.0006","0.0015","90","","97.873","0.003","90","","2227.2","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H66 Al3 N5 O -","- C41 H66 Al3 N5 O -","- C82 H132 Al6 N10 O2 -","2","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.0786","0.0552","","","0.1387","0.1579","","","","","","1.035","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023476","9.34779","0.00017","26.3269","0.0005","19.0803","0.0004","90","","105.349","0.0007","90","","4528.15","0.15","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl3 Cu F6 N2 O P3 -","- C44 H36 Cl3 Cu F6 N2 O P3 -","- C176 H144 Cl12 Cu4 F24 N8 O4 P12 -","4","2","","Yuasa, Junpei; Dan, Misato; Kawai, Tsuyoshi","Phosphorescent properties of metal-free diphosphine ligands and effects of copper binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16096","16101","10.1039/c3dt51390d","","","0.71075","MoKα","","","0.0634","","","","0.1852","","","","","","1.094","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023577","11.294","0.0008","20.8512","0.0014","14.0096","0.001","90","","111.957","0.001","90","","3059.9","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(PEt3)H2Br3L']","(2,4-Dihydro-5-(5-bromo-2-hydroxyphenyl)-4-((5-bromo-2-hydroxyphenyl) methyleneamino)-1,2,4-triazol-3-ylidene 5-bromo-2-oxybenzaldehyde hydrazono)-(triethylphosphine)-palladium(ii)","","- C28 H28 Br3 N6 O3 P Pd -","- C28 H28 Br3 N6 O3 P Pd -","- C112 H112 Br12 N24 O12 P4 Pd4 -","4","2","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.0672","0.0576","","","0.1383","0.1448","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023613","8.531","0.007","13.122","0.011","8.953","0.008","90","","116.997","0.013","90","","893","1.3","300","2","300","2","","","","","","","","7","P 1 21 1","P 2yb","4","","RuCl2(Pz-H)dmso3","","- C9 H22 Cl2 N2 O3 Ru S3 -","- C9 H22 Cl2 N2 O3 Ru S3 -","- C18 H44 Cl4 N4 O6 Ru2 S6 -","2","1","","Ferrer, Íngrid; Rich, Jordi; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(II) complexes containing dmso and pyrazolyl ligands as catalysts for nitrile hydration in environmentally friendly media.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13461","13469","10.1039/c3dt51580j","","","0.71073","MoKα","","0.0729","0.0521","","","0.1475","0.215","","","","","","1.189","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023665","5.2428","0.0005","17.3184","0.0017","8.4028","0.0017","90","","93.638","0.011","90","","761.41","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H8 Cl2 Cu N2 O4 -","- C16 H8 Cl2 Cu N2 O4 -","- C32 H16 Cl4 Cu2 N4 O8 -","2","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15756","15765","10.1039/c3dt51734a","","x-ray","1.54179","CuKα","","","0.0995","","","","0.2589","","","","","","1.064","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023817","15.7828","0.0007","11.0357","0.0003","16.9825","0.0007","90","","117.366","0.005","90","","2626.9","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H58 Ba N2 O2 P2 Se2 -","- C58 H58 Ba N2 O2 P2 Se2 -","- C116 H116 Ba2 N4 O4 P4 Se4 -","2","1","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0583","0.0545","","","0.1354","0.1396","","","","","","1.026","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023825","6.3272","0.0007","9.8159","0.0012","16.2332","0.0017","90","","96.078","0.008","90","","1002.5","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl2 Cu N3 O2 -","- C16 H21 Cl2 Cu N3 O2 -","- C32 H42 Cl4 Cu2 N6 O4 -","2","1","","Li, Xi-Li; Chen, Chun-Lai; Han, Li-Feng; Liu, Cai-Ming; Song, You; Yang, Xiao-Gang; Fang, Shao-Ming","First one-dimensional homochiral stairway-like Cu(II) chains: crystal structures, circular dichroism (CD) spectra, ferroelectricity and antiferromagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5036","5041","10.1039/c2dt32578k","","","0.71073","MoKα","","0.0885","0.073","","","0.2029","0.2143","","","","","","1.097","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023826","6.3364","0.0007","9.8456","0.0009","16.314","0.002","90","","96.19","0.01","90","","1011.83","0.19","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl2 Cu N3 O2 -","- C16 H21 Cl2 Cu N3 O2 -","- C32 H42 Cl4 Cu2 N6 O4 -","2","1","","Li, Xi-Li; Chen, Chun-Lai; Han, Li-Feng; Liu, Cai-Ming; Song, You; Yang, Xiao-Gang; Fang, Shao-Ming","First one-dimensional homochiral stairway-like Cu(II) chains: crystal structures, circular dichroism (CD) spectra, ferroelectricity and antiferromagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5036","5041","10.1039/c2dt32578k","","","0.71073","MoKα","","0.0715","0.061","","","0.1513","0.159","","","","","","1.059","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023839","13.803","0.002","27.796","0.009","14.222","0.001","90","","98.392","0.006","90","","5398","2","200","2","200","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C114 H154 Al Li O6 Si Ti6 -","- C114 H154 Al Li O6 Si Ti6 -","- C228 H308 Al2 Li2 O12 Si2 Ti12 -","2","1","","Hernán-Gómez, Alberto; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Contact and solvent-separated ion pair aluminium ""ate"" complexes on a titanium oxide molecular model.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5076","5084","10.1039/c3dt32725f","","x-ray","0.71073","MoKα","","0.1425","0.0808","","","0.1912","0.2241","","","","","","0.986","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023860","9.336","0.005","11.117","0.005","11.842","0.005","90","0.005","102.937","0.005","90","0.005","1197.9","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","[ReO(Aztsc)(SCN)]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylenecarbo thioamide)benzamidineto)(isothiocyanate)oxorhenium(V)","","- C20 H27 N6 O Re S3 -","- C20 H27 N6 O Re S3 -","- C40 H54 N12 O2 Re2 S6 -","2","1","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71069","MoKα","","0.093","0.0582","","","0.1356","0.1972","","","","","","0.997","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023868","9.2943","0.0003","32.5932","0.001","11.8266","0.0005","90","","90.608","0.003","90","","3582.4","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","1","0.5","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.1423","0.0455","","","0.0773","0.0881","","","","","","0.697","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023870","9.2926","0.0003","32.5571","0.0012","11.806","0.0004","90","","90.596","0.003","90","","3571.6","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","1","0.5","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.0969","0.0591","","","0.1204","0.1421","","","","","","1.019","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023886","5.7585","0.0009","10.0664","0.0016","16.847","0.003","90","","96.071","0.002","90","","971.1","0.3","195","2","195","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl2 N O Pd Se2 -","- C16 H21 Cl2 N O Pd Se2 -","- C32 H42 Cl4 N2 O2 Pd2 Se4 -","2","1","","Kumar, Satyendra; Rao, Gyandshwar K.; Kumar, Arun; Singh, Mahabir P.; Singh, Ajai Kumar","Palladium(ii)-(E,N,E) pincer ligand (E = S/Se/Te) complex catalyzed Suzuki coupling reactions in water via in situ generated palladium quantum dots.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16939","16948","10.1039/c3dt51658j","","","0.71073","MoKα","","0.0216","0.0206","","","0.0465","0.0468","","","","","","0.871","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023915","11.885","0.002","27.949","0.006","12.674","0.003","90","","90.85","0.03","90","","4209.5","1.5","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","tetrakis[mu-bis(trimethylsilylmethyl)tellane)- pentasilver pentakis(trifluoromethylsulfonate)","","- C37 H85 Ag5 F15 O15 S5 Si8 Te4 -","- C37 H85 Ag5 F15 O15 S5 Si8 Te4 -","- C74 H170 Ag10 F30 O30 S10 Si16 Te8 -","2","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0835","0.0791","","","0.2015","0.2092","","","","","","1.027","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023996","8.35","0.0011","8.7471","0.0012","12.0392","0.0017","90","","104.276","0.007","90","","852.2","0.2","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C8 H20 Cu2 O18 -","- C8 H20 Cu2 O18 -","- C16 H40 Cu4 O36 -","2","1","","Liu, Yen-Hsiang; Lee, Szu-Hsuan; Chiang, Jung-Chun; Chen, Po-Chen; Chien, Po-Hsiu; Yang, Chen-I","Dehydration induced 2D-to-3D crystal-to-crystal network re-assembly and ferromagnetism tuning within two chiral copper(ii)-tartrate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16857","16867","10.1039/c3dt52330f","","x-ray","0.71073","MoKα","","0.024","0.0233","","","0.0603","0.0607","","","","","","1.027","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024006","7.7646","0.0001","12.8687","0.0002","8.5469","0.0001","90","","116.241","0.001","90","","765.997","0.019","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","cyclophosphazene","","","- C6 H7 Cl3 F6 N3 O3 P3 -","- C6 H7 Cl3 F6 N3 O3 P3 -","- C12 H14 Cl6 F12 N6 O6 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0223","0.0214","","","0.0543","0.0547","","","","","","1.045","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024008","7.8562","0.0011","12.7286","0.0018","8.6574","0.0012","90","","111.409","0.006","90","","806","0.2","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","fosfazen","","","- C7 H10 Cl2 F6 N3 O4 P3 -","- C7 H10 Cl2 F6 N3 O4 P3 -","- C14 H20 Cl4 F12 N6 O8 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0536","0.0539","","","","","","1.03","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024012","8.1912","0.0008","12.8636","0.0012","9.3727","0.0009","90","","114.478","0.004","90","","898.82","0.15","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","cyclophosphazene","","","- C9 H16 F6 N3 O6 P3 -","- C9 H16 F6 N3 O6 P3 -","- C18 H32 F12 N6 O12 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0227","0.0221","","","0.0599","0.0603","","","","","","1.071","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024034","17.3993","0.0011","10.9524","0.0007","32.741","0.002","90","","97.6","0.004","90","","6184.5","0.7","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 Fe N2 O6.5 -","- C34 H32 Fe N2 O6.5 -","- C272 H256 Fe8 N16 O52 -","8","4","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","1.54178","CuKα","","0.1104","0.0615","","","0.1426","0.1702","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024049","6.9673","0.0002","14.1333","0.0004","14.3657","0.0004","90","","104.035","0.001","90","","1372.37","0.07","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","1D-Cadmium thiosulfate","","","- C10 H28 Cd N2 Na2 O16 S4 -","- C10 H8 Cd N2 Na2 O16 S4 -","- C20 H16 Cd2 N4 Na4 O32 S8 -","2","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","Synthesis, structure, transformation studies and catalytic properties of open-framework cadmium thiosulfate compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2263","2279","10.1039/b908995k","","","0.71073","MoKα","","0.0689","0.063","","","0.1632","0.1687","","","","","","1.045","","","","has coordinates,has disorder","179945","2020-10-21","18:00:00",""
"7024086","8.399","0.0003","16.7308","0.0004","9.5282","0.0004","90","","108.761","0.004","90","","1267.78","0.08","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H48 Li N3 Zn -","- C21 H48 Li N3 Zn -","- C42 H96 Li2 N6 Zn2 -","2","1","","Campbell, Ross; Conway, Ben; Fairweather, Graham S.; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Gemma M.","cis-2,6-Dimethylpiperidide: a structural mimic for TMP (2,2,6,6-tetramethylpiperidide) or DA (diisopropylamide)?","Dalton transactions (Cambridge, England : 2003)","2010","39","2","511","519","10.1039/b910801g","","","0.71073","MoKα","","0.0298","0.0252","","","0.0504","0.0512","","","","","","0.975","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024167","8.7739","0.0004","20.3007","0.0011","11.789","0.0006","90","","107.96","0.003","90","","1997.49","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H56 Al Li N2 O5 -","- C44 H56 Al Li N2 O5 -","- C88 H112 Al2 Li2 N4 O10 -","2","1","","Hild, Frédéric; Haquette, Pierre; Brelot, Lydia; Dagorne, Samuel","Synthesis and structural characterization of well-defined anionic aluminum alkoxide complexes supported by NON-type diamido ether tridentate ligands and their use for the controlled ROP of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","533","540","10.1039/b911802k","","","0.71073","MoKα","","0.1554","0.089","","","0.201","0.2392","","","","","","1.026","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024168","8.2967","0.0004","12.6431","0.0004","9.5096","0.0004","90","","109.426","0.005","90","","940.73","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H27 F3 N2 O Zn -","- C16 H27 F3 N2 O Zn -","- C32 H54 F6 N4 O2 Zn2 -","2","1","","Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Livingstone, Zoe; McCall, Matthew D.","New insights into addition reactions of dialkylzinc reagents to trifluoromethyl ketones: structural authentication of a beta-hydride elimination product containing a tetranuclear zinc chain.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","520","526","10.1039/b911818g","","","1.5418","CuKα","","0.0589","0.0454","","","0.1116","0.1172","","","","","","0.981","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024195","10.3763","0.0003","6.4665","0.0002","14.8657","0.0005","90","","96.0005","0.0019","90","","992","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","ReO(His)(MebDRibp)","","","- C25 H40 N6 O17 Re2.04 -","- C25 H40 N6 O17 Re2.0362 -","- C25 H40 N6 O17 Re2.0362 -","1","0.5","","Grimminger, Philipp; Klüfers, Peter","Oxidorhenium(V) complexes with L-histidine and pyranosides.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","715","719","10.1039/b912603a","","","0.71073","MoKα","","0.0389","0.034","","","0.0855","0.0879","","","","","","1.108","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024257","15.002","0.0004","17.3532","0.0006","16.0039","0.0004","90","","90.349","0.002","90","","4166.3","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H88 Cl2 Cu4 N6 O22 P6 Sb2 -","- C60 H88 Cl2 Cu4 N6 O22 P6 Sb2 -","- C120 H176 Cl4 Cu8 N12 O44 P12 Sb4 -","2","1","","Ali, Shoaib; Muryn, Christopher A.; Tuna, Floriana; Winpenny, Richard E. P.","Synthesis and structural and magnetic characterisation of copper(II) complexes of mixed phosphonate-antimonate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","124","131","10.1039/b913467k","","","0.71073","MoKα","","0.0553","0.0351","","","0.0656","0.0705","","","","","","0.955","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024292","9.8077","0.0011","13.873","0.0014","15.5259","0.0017","90","","89.975","0.002","90","","2112.5","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Au2 Fe N6 -","- C16 H14 Au2 Fe N6 -","- C64 H56 Au8 Fe4 N24 -","4","2","","Kosone, Takashi; Tomori, Itaru; Kanadani, Chikahide; Saito, Toshiaki; Mochida, Tomoyuki; Kitazawa, Takafumi","Unprecedented three-step spin-crossover transition in new 2-dimensional coordination polymer {Fe(II)(4-methylpyridine)(2)[Au(I)(CN)(2)](2)}.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1719","1721","10.1039/b914330k","","","0.71073","MoKα","","0.0562","0.0298","","","0.0794","0.0925","","","","","","0.983","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024353","3.811","0.0003","11.9184","0.0009","8.7827","0.0007","90","","93.991","0.001","90","","397.95","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Ag(ACO)x2NH3","Bis-ammino, 2-cyano-2-oximino-acetamide silver(I)","","- C3 H8 Ag N5 O2 -","- C3 H8 Ag N5 O2 -","- C6 H16 Ag2 N10 O4 -","2","1","","Gerasimchuk, Nikolay; Esaulenko, Andrey N.; Dalley, Kent N.; Moore, Curtis","2-Cyano-2-isonitrosoacetamide and its Ag(I) complexes. Silver(I) cyanoximate as a non-electric gas sensor.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","749","764","10.1039/b915603h","","","0.71073","MoKα","","0.0191","0.0175","","","0.0399","0.041","","","","","","1.043","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024449","14.0819","0.0003","15.158","0.0003","26.9984","0.0005","90","","90.822","0.002","90","","5762.3","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H61 Br2.125 Mn4 N8.625 Na O15 -","- C51 H56 Br2.125 Mn4 N8.625 Na O15 -","- C204 H224 Br8.5 Mn16 N34.5 Na4 O60 -","4","2","","Fan, Lin-Lin; Guo, Fu-Sheng; Yun, Lei; Lin, Zhuo-Jia; Herchel, Radovan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Chiral transition metal clusters from two enantiomeric schiff base ligands. Synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1771","1780","10.1039/b917091j","","","1.54178","CuKα","","0.0998","0.077","","","0.2163","0.233","","","","","","1.016","","","","has coordinates,has disorder","291143","2024-04-09","08:48:24",""
"7024450","13.9942","0.0001","15.1871","0.0001","27.0453","0.0002","90","","90.821","0.001","90","","5747.38","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H61 Br2.125 Mn4 N8.625 Na O15 -","- C51 H56 Br2.125 Mn4 N8.625 Na O15 -","- C204 H224 Br8.5 Mn16 N34.5 Na4 O60 -","4","2","","Fan, Lin-Lin; Guo, Fu-Sheng; Yun, Lei; Lin, Zhuo-Jia; Herchel, Radovan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Chiral transition metal clusters from two enantiomeric schiff base ligands. Synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1771","1780","10.1039/b917091j","","","1.54178","CuKα","","0.0769","0.0661","","","0.1874","0.1959","","","","","","0.996","","","","has coordinates,has disorder","291143","2024-04-09","08:48:25",""
"7024567","8.2508","0.0008","8.0153","0.0006","11.6332","0.0012","90","","113.797","0.004","90","","703.93","0.11","253","2","253","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O7 -","- C13 H19 N O7 -","- C26 H38 N2 O14 -","2","1","","Green, David E.; Bowen, Meryn L.; Scott, Lauren E.; Storr, Tim; Merkel, Michael; Böhmerle, Karin; Thompson, Katherine H.; Patrick, Brian O.; Schugar, Harvey J.; Orvig, Chris","In vitro studies of 3-hydroxy-4-pyridinones and their glycosylated derivatives as potential agents for Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1604","1615","10.1039/b918439b","","","0.71069","MoKα","","0.0476","0.0424","","","0.1179","0.1211","","","","","","1.048","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024626","13.292","0.003","15.146","0.003","19.946","0.004","90","","102.23","0.03","90","","3924.4","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H55 B N10 Ni2 O47 W12 -","- C50 H40 B N10 Ni2 O47 W12 -","- C100 H80 B2 N20 Ni4 O94 W24 -","2","1","","Wang, Yan; Ye, Ling; Wang, Tie-Gang; Cui, Xiao-Bing; Shi, Shu-Yun; Wang, Guo-Wu; Xu, Ji-Qing","Hydrothermal syntheses and characterizations of two novel frameworks constructed from polyoxometalates, metals and organic units.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1916","1919","10.1039/b919503c","","","0.71073","MoKα","","0.0995","0.0649","","","0.134","0.1551","","","","","","1.072","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7024759","9.0179","0.0016","13.353","0.002","10.3602","0.0019","90","","107.875","0.003","90","","1187.3","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H38 Cl2 N4 Ni O9 -","- C16 H36 Cl2 N4 Ni O9 -","- C32 H72 Cl4 N8 Ni2 O18 -","2","1","","Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu","Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4274","4279","10.1039/b921141a","","","0.71073","MoKα","","0.0574","0.0443","","","0.1089","0.1168","","","","","","1.034","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024760","9.0136","0.0014","13.371","0.002","10.3537","0.0016","90","","107.859","0.002","90","","1187.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H38 Cl2 N4 Ni O9 -","- C16 H36 Cl2 N4 Ni O9 -","- C32 H72 Cl4 N8 Ni2 O18 -","2","1","","Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu","Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4274","4279","10.1039/b921141a","","","0.71073","MoKα","","0.045","0.0396","","","0.1016","0.106","","","","","","1.085","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024831","12.4627","0.0001","42.0049","0.0005","13.4222","0.0002","90","","101.98","0.001","90","","6873.41","0.14","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H107 N6 Sm -","- C69 H93 N6 Sm -","- C276 H372 N24 Sm4 -","4","2","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Polo Cerón, Dorian; Wang, Jun","Steric control of the reduction of carbodiimides by samarium(II) and the synthesis of very crowded samarium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6732","6738","10.1039/b922031c","","","0.71073","MoKα","","0.0851","0.063","","","0.1448","0.156","","","","","","0.989","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024868","10.642","0.001","13.2433","0.0008","11.749","0.001","90","","91.678","0.003","90","","1655.1","0.2","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H38 Fe N3 O5 P Si2 W -","- C27 H38 Fe N3 O5 P Si2 W -","- C54 H76 Fe2 N6 O10 P2 Si4 W2 -","2","1","","Fankel, Stefan; Helten, Holger; von Frantzius, Gerd; Schnakenburg, Gregor; Daniels, Jörg; Chu, Victoria; Müller, Christina; Streubel, Rainer","Novel access to azaphosphiridine complexes and first applications using Brønsted acid-induced ring expansion reactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3472","3481","10.1039/b922166b","","","0.71073","MoKα","","0.0501","0.0365","","","0.0686","0.0724","","","","","","0.904","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024893","7.587","0.003","12.256","0.004","8.272","0.003","90","","110.259","0.007","90","","721.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tellurium Tetrafluoride 1,2-Dimethoxyethane Solvate","Tellurium Tetrafluoride 1,2-Dimethoxyethane Solvate","","- C8 H20 F4 O4 Te -","- C8 H20 F4 O4 Te -","- C16 H40 F8 O8 Te2 -","2","1","","Shlykov, Sergey A.; Giricheva, Nina I.; Titov, Anton V.; Szwak, Małgorzata; Lentz, Dieter; Girichev, Georgiy V.","The structures of tellurium(IV) halides in the gas phase and as solvated molecules.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3245","3255","10.1039/b922474b","","","0.71073","MoKα","","0.0427","0.0379","","","0.1089","0.1122","","","","","","1.105","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024906","15.8741","0.0005","9.4714","0.0003","22.9038","0.0007","90","","90.038","0.001","90","","3443.58","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 Cu8 I16 N8 -","- C32 H72 Cu8 I16 N8 -","- C64 H144 Cu16 I32 N16 -","2","1","","Hou, Juan-Juan; Li, Shi-Li; Li, Cui-Rui; Zhang, Xian-Ming","In situ alkylation of N-heterocycles in organic templated cuprous halides.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2701","2707","10.1039/b922583h","","","0.71073","MoKα","","0.0563","0.0476","","","0.0907","0.0981","","","","","","1.062","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024925","7.8334","0.0001","17.2763","0.0004","9.445","0.0005","90","","100.475","0.002","90","","1256.91","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 N O18 Zn2 -","- C20 H27 N O18 Zn2 -","- C40 H54 N2 O36 Zn4 -","2","1","","Davies, Kate; Bourne, Susan A.; Ohrström, Lars; Oliver, Clive L.","Anionic zinc-trimesic acid MOFs with unusual topologies: reversible hydration studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2869","2874","10.1039/b922690g","","","0.71073","MoKα","","0.0317","0.0278","","","0.0658","0.0678","","","","","","1.073","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7024954","8.9463","0.0011","28.733","0.003","11.133","0.0012","90","","90.905","0.002","90","","2861.4","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H82 N8 O9 S4 -","- C48 H82 N8 O9 S4 -","- C96 H164 N16 O18 S8 -","2","1","","Wu, Tao; Li, Cheng-Hui; Li, Yi-Zhi; Zhang, Zhao-Gui; You, Xiao-Zeng","Synthesis, structure and chiroptical study of chiral macrocyclic imine nickel(II) coordination compounds derived from camphor.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3227","3232","10.1039/b923326a","","","0.71073","MoKα","","0.0378","0.0344","","","0.0782","0.0791","","","","","","1.048","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024955","8.9319","0.0016","28.833","0.002","11.1309","0.0018","90","","90.439","0.004","90","","2866.5","0.7","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H82 N8 O9 S4 -","- C48 H82 N8 O9 S4 -","- C96 H164 N16 O18 S8 -","2","1","","Wu, Tao; Li, Cheng-Hui; Li, Yi-Zhi; Zhang, Zhao-Gui; You, Xiao-Zeng","Synthesis, structure and chiroptical study of chiral macrocyclic imine nickel(II) coordination compounds derived from camphor.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3227","3232","10.1039/b923326a","","","0.71073","MoKα","","0.0664","0.055","","","0.1137","0.1163","","","","","","1.089","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024962","12.0044","0.0004","39.454","0.0011","18.1111","0.0006","90","","100.427","0.002","90","","8436.2","0.5","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H44 N4 O2 P2 Zr -","- C48 H44 N4 O2 P2 Zr -","- C384 H352 N32 O16 P16 Zr8 -","8","4","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0544","0.0477","","","0.1069","0.1131","","","","","","1.025","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7024965","11.9926","0.0012","9.9667","0.0008","17.5936","0.0018","90","","109.007","0.008","90","","1988.3","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H54 N4 O2 Ti -","- C44 H54 N4 O2 Ti -","- C88 H108 N8 O4 Ti2 -","2","1","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0593","0.0452","","","0.105","0.114","","","","","","1.014","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7024968","14.8466","0.0016","13.6505","0.0015","15.9918","0.0019","90","","104.809","0.002","90","","3133.3","0.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75 H60 N4 O8 S4 Zr -","- C75 H60 N4 O8 S4 Zr -","- C150 H120 N8 O16 S8 Zr2 -","2","1","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0341","0.0313","","","0.0668","0.0685","","","","","","1.032","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7024969","11.2722","0.0004","30.159","0.0011","12.0617","0.0005","90","","90.946","0.002","90","","4099.9","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C101 H108 N4 O4 Zr -","- C101 H108 N4 O4 Zr -","- C202 H216 N8 O8 Zr2 -","2","1","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0376","0.0349","","","0.0778","0.0801","","","","","","1.052","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7024981","7.7953","0.0002","13.8315","0.0003","13.0449","0.0003","90","","91.366","0.002","90","","1406.11","0.06","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl4 N2 P Pd -","- C28 H37 Cl4 N2 P Pd -","- C56 H74 Cl8 N4 P2 Pd2 -","2","1","","Seacome, Richard J.; Coles, Martyn P.; Glover, Jean E.; Hitchcock, Peter B.; Rowlands, Gareth J.","Planar-chiral imidazole-based phosphine ligands derived from [2.2]paracyclophane","Dalton Transactions","2010","39","15","3687","","10.1039/b923716j","","x-ray","0.71073","MoKα","","0.0401","0.0383","","","0.1049","0.1067","","","","","","1.045","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7025017","17.07","0.003","9.5066","0.0019","20.658","0.004","90","","110.81","0.03","90","","3133.6","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H26 Cu Hg3 N6 O16 -","- C24 H26 Cu Hg3 N6 O16 -","- C96 H104 Cu4 Hg12 N24 O64 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Amalgamating metalloligands with coordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1941","1947","10.1039/b924475a","","","0.71073","MoKα","","0.0622","0.0608","","","0.161","0.1627","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025018","11.0776","0.0012","17.2924","0.0013","14.1961","0.0014","90","","107.22","0.008","90","","2597.5","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Br2 Hg N2 Ni O4 -","- C24 H28 Br2 Hg N2 Ni O4 -","- C96 H112 Br8 Hg4 N8 Ni4 O16 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Amalgamating metalloligands with coordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1941","1947","10.1039/b924475a","","","0.71073","MoKα","","0.0291","0.0285","","","0.0709","0.0712","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025019","11.0988","0.0009","17.2977","0.001","14.2186","0.0011","90","","106.704","0.006","90","","2614.6","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Br2 Cu Hg N2 O4 -","- C24 H28 Br2 Cu Hg N2 O4 -","- C96 H112 Br8 Cu4 Hg4 N8 O16 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Amalgamating metalloligands with coordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1941","1947","10.1039/b924475a","","","0.71073","MoKα","","0.0309","0.0307","","","0.0821","0.0822","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025079","17.118","0.003","8.9172","0.0018","22.259","0.005","90","","97.6","0.03","90","","3367.9","1.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H96 Mo2 O8 P4 -","- C71 H96 Mo2 O8 P4 -","- C142 H192 Mo4 O16 P8 -","2","1","","Edwards, Peter G.; Knight, James C.; Newman, Paul D.","Synthesis of (1R,4S,6R)-5,5,6-trimethyl-2-phosphabicyclo[2.2.2]octane and derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3851","3860","10.1039/b924983d","","","0.71073","MoKα","","0.1204","0.0669","","","0.1356","0.1565","","","","","","1.031","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025172","8.3571","0.0001","17.7714","0.0003","9.2378","0.0002","90","","96.1433","0.0009","90","","1364.09","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Na4(Cr(D-MannH-3)2)*NO3","","","- C12 H35 Cr N Na4 O23.5 -","- C12 H34 Cr N0.922 Na4 O23.247 -","- C24 H68 Cr2 N1.844 Na8 O46.494 -","2","1","","Ghaschghaie, Natascha; Hoffmann, Thomas; Steinborn, Martin; Klüfers, Peter","The tridentate metal-binding sites of the common glycoses.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5535","5543","10.1039/b925537k","","","0.71073","MoKα","","0.0525","0.0477","","","0.1224","0.1268","","","","","","1.023","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025247","9.85","0.002","11.225","0.002","12.684","0.003","90","","100.897","0.003","90","","1377.1","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","trans-N3P3Cl2(NHCH2CH2S)2","","","- C4 H10 Cl2 N5 P3 S2 -","- C4 H10 Cl2 N5 P3 S2 -","- C16 H40 Cl8 N20 P12 S8 -","4","2","","Fushimi, Toshiki; Allcock, Harry R.","Synthesis and optical properties of sulfur-containing monomers and cyclomatrix polyphosphazenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5349","5355","10.1039/b926069b","","","0.71073","MoKα","","0.0298","0.0294","","","0.0753","0.0756","","","","","","1.031","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025324","8.439","0.005","11.912","0.007","10.636","0.006","90","","102.79","0.01","90","","1042.7","1.1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H15 N O19 S3 U2 -","- C4 H10 N O19 S3 U2 -","- C8 H20 N2 O38 S6 U4 -","2","1","","Bharara, Mohan S.; Gorden, Anne E. V.","Amine templated two- and three-dimensional uranyl sulfates.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3557","3559","10.1039/b926973h","","","0.71073","MoKα","","0.0242","0.0222","","","0.0524","0.0642","","","","","","1.163","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025464","12.712","0.003","15.933","0.003","18.379","0.004","90","","106.59","0.03","90","","3567.5","1.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52 Cr2 Fe2 Mn2 N14 O41 -","- C54 H50 Cr2 Fe2 Mn2 N14 O41 -","- C108 H100 Cr4 Fe4 Mn4 N28 O82 -","2","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of different Fe(III) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4903","4910","10.1039/c001067g","","","0.71073","MoKα","","0.1713","0.073","","","0.1203","0.1418","","","","","","0.827","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7025543","9.2736","0.0007","5.2093","0.0003","13.9202","0.001","90","","100.149","0.005","90","","661.95","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H13 N2 O5 P Zn -","- C11 H13 N2 O5 P Zn -","- C22 H26 N4 O10 P2 Zn2 -","2","1","","Dong, Zhaojun; Zhao, Lang; Liang, Zhiqiang; Chen, Peng; Yan, Yan; Li, Jiyang; Yu, Jihong; Xu, Ruren","[Zn(HPO(3))(C(11)N(2)O(2)H(12))] and [Zn(3)(H(2)O)(PO(4))(HPO(4))(C(6)H(9)N(3)O(2))(2) (C(6)H(8)N(3)O(2))]: homochiral zinc phosphite/phosphate networks with biofunctional amino acids.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5439","5445","10.1039/c001621g","","","0.71073","MoKα","","0.0645","0.0472","","","0.0988","0.1054","","","","","","0.94","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025551","10.623","0.004","12.392","0.005","15.881","0.004","90","","107.286","0.005","90","","1996.2","1.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","NbCl5(N,N'-Dicyclohexylurea)","NbCl5(N,N'-Dicyclohexylurea)","","- C13 H24 Cl5 N2 Nb O -","- C13 H24 Cl5 N2 Nb O -","- C52 H96 Cl20 N8 Nb4 O4 -","4","2","","Aresta, Michele; Dibenedetto, Angela; Stufano, Paolo; Aresta, Brunella Maria; Maggi, Sabino; Pápai, Imre; Rokob, Tibor András; Gabriele, Bartolo","The solid state structure and reactivity of NbCl(5) x (N,N'-dicyclohexylurea) in solution: evidence for co-ordinated urea dehydration to the relevant carbodiimide.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6985","6992","10.1039/c001669a","","","0.71073","MoKα","","0.0688","0.0449","","","0.0992","0.1106","","","","","","1.022","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025615","11.617","0.0003","11.1132","0.0002","15.3071","0.0004","90","","94.919","0.0014","90","","1968.9","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H71 Al2 O8 Y -","- C31 H71 Al2 O8 Y -","- C62 H142 Al4 O16 Y2 -","2","1","","Nieland, Anja; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Cationic rare-earth-metal methyl complexes: a new preparative access exemplified for Y and Pr.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6753","6760","10.1039/c002252g","","","0.71073","MoKα","","0.0393","0.0331","","","0.0731","0.076","","","","","","1.031","","","","has coordinates,has disorder","179962","2020-10-21","18:00:00",""
"7025644","9.12","0.002","12.827","0.003","9.273","0.002","90","","91.729","0.004","90","","1084.3","0.4","157","2","157","2","","","","","","","","4","P 1 21 1","P 2yb","4","1","","","- C16 H28 O8 Zn2 -","- C16 H28 O8 Zn2 -","- C32 H56 O16 Zn4 -","2","1","","Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping","Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8050","8063","10.1039/c002492a","","","0.71073","MoKα","","0.0596","0.0526","","","0.1383","0.1449","","","","","","1.13","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025674","10.1214","0.0007","8.5521","0.001","12.8909","0.0008","90","","91.738","0.005","90","","1115.31","0.17","200","2","200","2","","","","","","","20 mg (0.12 mmol) 2-Deoxy-D-galactose werden in 1.22 mL (0.36 mmol) einer 0.3 M Pd-en aufgel\""ost und etwa 20 Stunden im Eisbad geruehrt. Nach S\""attigung der L\""osung mit Aceton entstehen nach ca. 2 Tagen schwach gelbe Kristalle.","5","P 1 21 1","P 2yb","4","[Pd2(en)2(2-Deoxy-/b-D-Galf1,3,5,6H-4)]*8H2O","","","- C10 H40 N4 O13 Pd2 -","- C10 H40 N4 O13 Pd2 -","- C20 H80 N8 O26 Pd4 -","2","1","","Schwarz, Thomas; Hess, David; Klüfers, Peter","Metal chelation by the common 2-amino-2-deoxy-, 2-N-acetylamino-2-deoxy-, and 2-deoxy-hexoses.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5544","5555","10.1039/c002711a","","","0.71073","MoKα","","0.0242","0.0207","","","0.0428","0.0436","","","","","","0.991","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025850","15.866","0.003","22.379","0.005","16.364","0.003","90","","115.92","0.03","90","","5226","2","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","Nd(dbp)3(dme)2","","","- C50 H83 Nd O7 -","- C50 H83 Nd O7 -","- C200 H332 Nd4 O28 -","4","2","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.","Low-coordinate rare-earth complexes of the asymmetric 2,4-di-tert-butylphenolate ligand prepared by redox transmetallation/protolysis reactions, and their reactivity towards ring-opening polymerisation.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6693","6704","10.1039/c0dt00023j","","","0.71073","MoKα","","0.1491","0.0726","","","0.1407","0.1749","","","","","","1.032","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025865","7.519","0.005","7.223","0.005","10.049","0.007","90","","103.631","0.011","90","","530.4","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C26 H18 N6 O4 -","2","1","","Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon","Structural studies of some push-pull N-arylbenzazoles.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7147","7152","10.1039/c0dt00029a","","","0.71073","MoKα","","0.0618","0.0502","","","0.1148","0.1192","","","","","","0.93","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7026026","12.0637","0.0004","8.3804","0.0003","15.1019","0.0005","90","","95.135","0.003","90","","1520.65","0.09","293","2","293","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C34 H34 Cl2 N O2 P Ru -","- C34 H34 Cl2 N O2 P Ru -","- C68 H68 Cl4 N2 O4 P2 Ru2 -","2","1","","Fernández-Zúmel, Mariano A; Lastra-Barreira, Beatriz; Scheele, Marcus; Díez, Josefina; Crochet, Pascale; Gimeno, José","Chiral phosphonite, phosphite and phosphoramidite eta6-arene-ruthenium(II) complexes: application to the kinetic resolution of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7780","7785","10.1039/c0dt00140f","","","1.5418","CuKα","","0.048","0.0382","","","0.0984","0.1069","","","","","","1.043","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026184","5.8622","0.0012","17.456","0.004","11.936","0.002","90","","103.83","0.03","90","","1186","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O3 P -","- C29 H28 N O3 P -","- C58 H56 N2 O6 P2 -","2","1","","Brown, Christopher C.; Glotzbach, Christoph; Stephan, Douglas W.","Ag(I) and Au(I) complexes of sterically crowded cyclic phosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9626","9632","10.1039/c0dt00261e","","","0.71073","MoKα","","0.1215","0.0641","","","0.1213","0.1446","","","","","","1.027","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026195","14.6736","0.0009","10.0455","0.0007","19.8282","0.0014","90","","108.567","0.003","90","","2770.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H86 Cl2 Ir2 N2 P2 Si -","- C51 Cl2 Ir2 N2 P2 Si -","- C102 Cl4 Ir4 N4 P4 Si2 -","2","1","","Hashimoto, Hisako; Suzuki, Toshinori; Tobita, Hiromi","Synthesis of η(2)-cyclooctene iridium and rhodium complexes supported by a novel P,N-chelate ligand and their reactivity toward hydrosilanes: facile Cl migration from metal to silicon via silylene complex intermediates and formation of a base-stabilised silylene complex.","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9386","9400","10.1039/c0dt00264j","","","0.71069","MoKα","","0.1278","0.0896","","","0.206","0.2353","","","","","","1.102","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026208","10.7929","0.001","18.7805","0.0017","11.1768","0.001","90","","108.926","0.001","90","","2143","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H43 Cl F3 N4 O4 Pd S -","- C47.1 H42.9 Cl0.9 F3 N4 O3.7 Pd S -","- C94.2 H85.8 Cl1.8 F6 N8 O7.4 Pd2 S2 -","2","1","","Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","A new chiral di-N-heterocyclic carbene (NHC) cyclophane ligand and its application in palladium enantioselective catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6392","6394","10.1039/c0dt00268b","","","0.71073","MoKα","","0.0255","0.0248","","","0.0646","0.065","","","","","","1.043","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026265","7.0737","0.0005","14.2499","0.0006","7.1663","0.0009","90","","116.659","0.004","90","","645.57","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H2 I4 La O15 V -","- H2 I4 La O15 V -","- H4 I8 La2 O30 V2 -","2","1","","Sun, Chuan-Fu; Hu, Ting; Xu, Xiang; Mao, Jiang-Gao","Syntheses, crystal structures, and properties of three new lanthanum(III) vanadium iodates.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7960","7967","10.1039/c0dt00305k","","","0.71073","MoKα","","0.0213","0.0208","","","0.0481","0.0483","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026292","7.873","0.003","10.736","0.004","11.073","0.004","90","","95.92","0.02","90","","930.9","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H32 N2 O6 Pd -","- C14 H32 N2 O6 Pd -","- C28 H64 N4 O12 Pd2 -","2","1","","Accadbled, Fabien; Tinant, Bernard; Hénon, Eric; Carrez, Danièle; Croisy, Alain; Bouquillon, Sandrine","Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8982","8993","10.1039/c0dt00328j","","","0.71069","MoKα","","0.0646","0.0638","","","0.1667","0.169","","","","","","1.203","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026389","9.3705","0.0005","20.1465","0.0011","9.7391","0.0005","90","","106.979","0.001","90","","1758.43","0.16","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cu N4 O8 S -","- C32 H44 Cu N4 O8 S -","- C64 H88 Cu2 N8 O16 S2 -","2","1","","Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong","Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8741","8747","10.1039/c0dt00380h","","","0.71073","MoKα","","0.0619","0.0391","","","0.0676","0.0914","","","","","","1.155","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026390","9.3599","0.0004","20.1145","0.0008","9.7383","0.0004","90","","106.986","0.001","90","","1753.45","0.13","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cu N4 O8 S -","- C32 H44 Cu N4 O8 S -","- C64 H88 Cu2 N8 O16 S2 -","2","1","","Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong","Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8741","8747","10.1039/c0dt00380h","","","0.71073","MoKα","","0.0935","0.06","","","0.1327","0.1829","","","","","","1.106","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026400","8.181","0.0007","16.441","0.0013","9.7818","0.0008","90","","102.801","0.004","90","","1282.99","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H38 F2 N4 Si -","- C26 H38 F2 N4 Si -","- C52 H76 F4 N8 Si2 -","2","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate silicon(IV) complexes with two bidentate monoanionic benzamidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9401","9413","10.1039/c0dt00391c","","","0.71073","MoKα","","0.0333","0.0318","","","0.0817","0.0826","","","","","","1.093","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026472","11.798","0.0001","31.288","0.0002","20.6198","0.0002","90","","100.3","0.0003","90","","7488.85","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H102 Al2 Cl4 N4 O6 -","- C80 H102 Al2 Cl4 N4 O6 -","- C320 H408 Al8 Cl16 N16 O24 -","4","2","","Gledhill, Alexandra C.; Cosgrove, Nichola E.; Nixon, Tracy D.; Kilner, Colin A.; Fisher, Julie; Kee, Terence P.","Asymmetric general base catalysis of the phospho-aldol reaction via dimeric aluminium hydroxides.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9472","9475","10.1039/c0dt00459f","","x-ray","0.71073","MoKα","","0.0986","0.0855","","","0.2321","0.2457","","","","","","1.038","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026582","18.113","0.0011","13.609","0.0006","28.582","0.0017","90","","103.924","0.002","90","","6838.4","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H39 Li N2 O -","- C21 H39 Li N2 O -","- C252 H468 Li12 N24 O12 -","12","6","","Cousins, David M.; Davidson, Matthew G.; García-Vivó, Daniel; Mahon, Mary F.","Structural diversity in polyamine Lewis base stabilised lithium aryloxides.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8203","8209","10.1039/c0dt00522c","","","0.71073","MoKα","","0.2313","0.0929","","","0.2135","0.2974","","","","","","1.027","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026698","8.5458","0.0017","17.299","0.004","11.402","0.002","90","","92.17","0.03","90","","1684.4","0.6","298","2","298","2","","","101.33","","","","","3","P 1 21 1","P 2yb","4","(diethylphenyl)(dipyridyl)amine","N-(2,6-diethylphenyl)-N,N-(2,2'-dipyridyl)amine","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","2","","Allen, John J.; Hamilton, Christopher E.; Barron, Andrew R.","Synthesis and characterization of aryl substituted bis(2-pyridyl)amines and their copper olefin complexes: investigation of remote steric control over olefin binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11451","11468","10.1039/c0dt00608d","","x-ray","0.71073","MoKα","","0.1735","0.0486","","","0.1098","0.1562","","","","","","0.936","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026708","9.0077","0.0008","29.659","0.003","15.362","0.001","90","","104.984","0.001","90","","3964.6","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1,3-Di-tert-butyl-2,4-bis(2-diphenylphosphanyl-phenoxy)- (1,3,2,4)diazdiphosphetidine","1,3-Di-tert-butyl-2,4-bis(2-diphenylphosphanyl- phenoxy)-[1,3,2,4]diazdiphosphetidine","","- C44 H46 N2 O2 P4 -","- C44 H46 N2 O2 P4 -","- C176 H184 N8 O8 P16 -","4","2","","Balakrishna, Maravanji S.; Venkateswaran, Ramalingam; Mague, Joel T.","Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11149","11162","10.1039/c0dt00614a","","","0.71073","MoKα","","0.0785","0.0566","","","0.1107","0.1203","","","","","","1.007","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026747","12.765","0.003","12.792","0.003","21.443","0.005","90","","90.772","0.004","90","","3501.1","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H85 N13 Ni6 O19 -","- C66 H85 N13 Ni6 O19 -","- C132 H170 N26 Ni12 O38 -","2","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Cano, Joan; Sanmartín, Jesús","One pot-synthesis of chiral Ni6 clusters involving Ni3 subunits: a combined structural, magnetic and DFT study.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10888","10899","10.1039/c0dt00659a","","","0.71073","MoKα","","0.058","0.0379","","","0.0722","0.0805","","","","","","1.051","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026817","17.173","0.003","19.832","0.004","19.409","0.004","90","","91.86","0.03","90","","6607","2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C286 H229 F48 N27 O18 P8 Ru4 -","- C286 H225 F48 N27 O18 P8 Ru4 -","- C286 H225 F48 N27 O18 P8 Ru4 -","1","0.5","","Brauchli, Sven Y.; Constable, Edwin C.; Harris, Kate; Häussinger, Daniel; Housecroft, Catherine E.; Rösel, Pirmin J; Zampese, Jennifer A.","Towards catenanes using π-stacking interactions and their influence on the spin-state of a bis(2,2':6',2""terpyridine)iron(II) domain.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10739","10748","10.1039/c0dt00743a","","","0.71073","MoKα","","0.0852","0.0798","","","0.2164","0.2246","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7026881","11.6568","0.0003","7.824","0.0002","21.7522","0.0006","90","","92.533","0.0016","90","","1981.92","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R,Λ)-(Tol2Bobbinap)Ti(OiPr)2","(R,Λ)-(1,1'-Binaphthyl-2,2'-bis(4-p-tolyl-2,4-butanedionato))- diisopropoxytitanium(IV)","","- C48 H46 O6 Ti -","- C48 H46 O6 Ti -","- C96 H92 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Armstrong, Jack B.; Noll, Bruce C.; Brown, Seth N.","Optically active bis(β-diketonate) complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10105","10115","10.1039/c0dt00828a","","","0.71073","MoKα","","0.0311","0.0271","","","0.0685","0.0711","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026932","16.552","0.0006","12.3483","0.0004","25.6368","0.0011","90","","104.533","0.004","90","","5072.2","0.3","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H99.5 Cl4 Mn2 N9.5 O18.5 -","- C98 H99.5 Cl4 Mn2 N9.5 O18.5 -","- C196 H199 Cl8 Mn4 N19 O37 -","2","1","","Sham, Kiu-Chor; Yeung, Ho-Lun; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun","New binuclear double-stranded manganese helicates as catalysts for alkene epoxidation.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9469","9471","10.1039/c0dt00953a","","","1.54184","CuKα","","0.0865","0.0789","","","0.2249","0.2375","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026980","11.64","0.01","12.083","0.002","13.004","0.002","90","","94.445","0.003","90","","1823.5","1.6","288.2","","288.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H36 Cl2 Fe2 N2 Pd2 -","- C38 H36 Cl2 Fe2 N2 Pd2 -","- C76 H72 Cl4 Fe4 N4 Pd4 -","2","1","","Wu, Yang Jie; Cui, Xiu Ling; Du, Chen Xia; Wang, Wen Ling; Guo, Rui Yun; Chen, Rong Feng","Resolution of a cyclopalladated ferrocenylketimine","Journal of the Chemical Society, Dalton Transactions","1998","","22","3727","","10.1039/a803739f","","","0.7107","MoKα","","0.0531","0.0423","","0.0727","0.0623","","","","1.48","1.261","1.261","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026995","12.413","0.009","20.703","0.01","15.58","0.009","90","","108.53","0.1","90","","3796","5","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C19.25 H14 Cl0.5 F3 N O2 P Pd -","- C19.25 H14 Cl0.5 F3 N O2 P Pd -","- C154 H112 Cl4 F24 N8 O16 P8 Pd8 -","8","4","","Dervisi, Athanasia; Edwards, Peter G.; Newman, Paul D.; Tooze, Robert P.; Coles, Simon J.; Hursthouse, Michael B.","Palladium diphenyl-2-pyridylphosphine complexes","Journal of the Chemical Society, Dalton Transactions","1998","","22","3771","","10.1039/a805102j","","","0.71069","MoKα","","0.0472","0.0438","","0.1112","0.1078","","","","1.059","1.092","1.092","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027027","13.097","0.001","13.251","0.001","14.207","0.001","90","","108.49","","90","","2338.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Cl12 N10 Pr -","- C20 H30 Al3 Cl12 N10 Pr -","- C40 H60 Al6 Cl24 N20 Pr2 -","2","1","","Deacon, Glen B.; Görtler, Bernd; Junk, Peter C.; Lork, Enno; Mews, Rüdiger; Petersen, Jan; Zemva, Boris","Syntheses and structures of some homoleptic acetonitrile lanthanoid(III) complexes","Journal of the Chemical Society, Dalton Transactions","1998","","22","3887","","10.1039/a805793a","","","0.71073","MoKα","","0.0337","0.0295","","","0.0677","0.0686","","","","","","0.972","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027055","15.61","0.004","10.957","0.002","16.186","0.004","90","","108.97","0.02","90","","2618.1","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55.5 H33 Cl O11 Os3 P2 -","- C55.5 H32 Cl O11 Os3 P2 -","- C111 H64 Cl2 O22 Os6 P4 -","2","1","","Deeming, Antony J.; Stchedroff, Marc","Trinuclear clusters of osmium containing monodentate, chelating and orthometallated forms of 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl (BINAP)","Journal of the Chemical Society, Dalton Transactions","1998","","22","3819","","10.1039/a806430j","","","0.71073","MoKα","","0.0783","0.0595","","0.1611","0.1355","","","","1.068","1.025","1.025","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027082","8.634","0.003","22.58","0.004","15.759","0.005","90","","95.78","0.02","90","","3056.7","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H76 Cl6 Cu3 N18 O29 -","- C30 H66 Cl6 Cu3 N18 O29 -","- C60 H132 Cl12 Cu6 N36 O58 -","2","1","","Bernhardt, Paul V.; Hayes, Elizabeth J.","The metal directed assembly of a trinuclear macrocyclic copper(II) complex","Journal of the Chemical Society, Dalton Transactions","1998","","21","3539","","10.1039/a806586a","","","0.71073","MoKα","","0.2191","0.0644","","0.2189","0.1496","","","","0.995","1.188","1.188","","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027127","6.5052","0.0002","17.5005","0.0002","8.1811","0.0002","90","","107.656","0.001","90","","887.5","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H17 In2 N2 O17 P3 -","- C6 In2 N2 O17 P3 -","- C12 In4 N4 O34 P6 -","2","1","","Huang, Yuh-Feng; Lii, Kwang-Hwa","Organically templated inorganic/organic hybrid materials: hydrothermal synthesis and structural characterization of [C4H12N2][In2(C2O4)(HPO4)3]·H2O","Journal of the Chemical Society, Dalton Transactions","1998","","24","4085","","10.1039/a807345g","","","0.71073","MoKα","","0.0562","0.0435","","0.1012","0.0944","","","","0.999","1.008","1.008","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027196","12.29","0.02","13.49","0.03","15","0.01","90","","95.11","0.1","90","","2477","7","294.2","","294","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H53 Au Cl2 N8 O6 P4 -","- C44 H40 Au Cl2 N8 O6 P4 -","- C88 H80 Au2 Cl4 N16 O12 P8 -","2","1","","Berners-Price, Susan J.; Bowen, Richard J.; Hambley, Trevor W.; Healy, Peter C.","NMR and structural studies of gold(I) chloride adducts with bidentate 2-, 3- and 4-pyridyl phosphines","Journal of the Chemical Society, Dalton Transactions","1999","","8","1337","","10.1039/a809285k","","","0.71069","MoKalpha","","","0.078","","","0.09","","","","","3.21","3.21","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027208","13.289","0.001","14.028","0.001","18.27","0.001","90","","110.256","0.003","90","","3195.2","0.4","100","","100","","","","","","","","?","8","P 1 21 1","P 2yb","4","","","","- C28 H23 B Cl2 F15 N3 O3 W -","- C28 H23 B Cl2 F15 N3 O3 W -","- C112 H92 B4 Cl8 F60 N12 O12 W4 -","4","2","","Barrado, Georgina; Doerrer, Linda; Green, Malcolm L. H.; Leech, Michael A.","Adducts of the Lewis acid [B(C6F5)3] with transition metal oxo compounds","Journal of the Chemical Society, Dalton Transactions","1999","","7","1061","","10.1039/a809519a","","","0.71069","MoKα","","","0.0189","","","0.022","","","","","1.0705","1.0705","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027311","7.4816","0.0001","10.4412","0.0001","11.5305","0.0001","90","","96.78","0.001","90","","894.428","0.017","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 Fe Mo O5 P -","- C16 H13 Fe Mo O5 P -","- C32 H26 Fe2 Mo2 O10 P2 -","2","1","","Goodwin, Nicholas J.; Henderson, William; Nicholson, Brian K.; Fawcett, John; Russell, David R.","(Ferrocenylmethyl)phosphine, an air-stable primary phosphine","Journal of the Chemical Society, Dalton Transactions","1999","","11","1785","","10.1039/a901036j","","","0.71073","MoKα","","0.023","0.0213","","","0.0469","0.0476","","","","","","1.037","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027389","9.204","0.004","17.129","0.004","10.041","0.004","90","","104.65","0.03","90","","1531.6","1","290.2","","290.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H45 Cl2 N O P2 Ru -","- C28 H45 Cl2 N O P2 Ru -","- C56 H90 Cl4 N2 O2 P4 Ru2 -","2","1","","Bustelo, Emilio; Jiménez-Tenorio, Manuel; Puerta, Ma Carmen; Valerga, Pedro","Synthesis and characterization of new ruthenium(II) complexes containing diisopropylmethylphosphine","Journal of the Chemical Society, Dalton Transactions","1999","","14","2399","","10.1039/a902065i","","","0.7107","MoKalpha","","","0.0289","","","0.0353","","","","","1.273","1.273","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027396","14.738","0.016","13.392","0.015","14.581","0.017","90","","92.069","0.01","90","","2876","6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H24 I2 Mo N O4 P -","- C25 H24 I2 Mo N O4 P -","- C100 H96 I8 Mo4 N4 O16 P4 -","4","2","","Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.","Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands","Journal of the Chemical Society, Dalton Transactions","1999","","15","2541","","10.1039/a902224d","","","0.71073","MoKα","","0.0915","0.0515","","","0.1375","0.1554","","","","","","1.063","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027432","8.15","0.002","8.564","0.002","11.278","0.002","90","","101.87","0.03","90","","770.3","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 As Li O2 -","- C14 H21 As Li O2 -","- C28 H42 As2 Li2 O4 -","2","1","","Beswick, Michael A.; Lawson, Yvonne G.; Raithby, Paul R.; Wood, Jody A.; Wright, Dominic S.","A metallated primary arsine; synthesis and structure of [PhAsHLi·2thf ]\ιnfty","Journal of the Chemical Society, Dalton Transactions","1999","","12","1921","","10.1039/a902590a","","","0.71073","MoKα","","0.1293","0.104","","","0.2339","0.2439","","","","","","1.595","","","","has coordinates,has disorder","179980","2020-10-21","18:00:00",""
"7027434","9.789","0.003","18.534","0.005","13.689","0.004","90","","91.64","0.02","90","","2482.6","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O10 V -","- C21 H27 N O10 V -","- C84 H108 N4 O40 V4 -","4","2","","Rajak, Kajal Krishna; Rath, Sankar Prasad; Mondal, Sujit; Chakravorty, Animesh","Sugar vanadates: synthesis and characterisation of mannopyranoside and ribofuranoside esters incorporating VO3+","Journal of the Chemical Society, Dalton Transactions","1999","","15","2537","","10.1039/a902632k","","","0.71073","MoKα","","0.1034","0.0649","","0.1637","0.1396","","","","1.03","1.082","1.082","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027561","9.231","0.002","11.296","0.002","10.975","0.002","90","","106.06","0.03","90","","1099.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N O7 Re -","- C18 H21 Br N O7 Re -","- C36 H42 Br2 N2 O14 Re2 -","2","1","","Heard, Peter J.; King, Paul M.; Bain, Alex. D.; Hazendonk, Paul; Tocher, Derek A.","A detailed NMR study of the solution stereodynamics in tricarbonylrhenium(I) halide complexes of the non-racemic chiral ligand 2,6-bis[(4R,5R)-dimethyl-1,3-dioxan-2-yl]pyridine (L1) and the molecular structure of fac-[ReBr(CO)3(L1)] †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4495","","10.1039/a904026i","","","0.71073","MoKα","","0.0508","0.0435","","0.1225","0.1082","","","","1.03","0.996","0.996","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027595","12.2871","0.0017","10.5692","0.0012","25.1","0.004","90","","95.266","0.017","90","","3245.8","0.8","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 F12 N7 P2 Ru -","- C30 H25 F12 N7 P2 Ru -","- C120 H100 F48 N28 P8 Ru4 -","4","2","","Aït-Haddou, Hassan; Bejan, Elena; Daran, Jean-Claude; Balavoine, Gilbert G. A.; Berruyer-Penaud, Florence; Bonazzola, Lydia; Smaoui-Chaabouni, Henda; Amouyal, Edmond","New ruthenium(II) heteroleptic complexes containing the 4-(2-pyridyl)pyrimidine ligand with amine and amino acid substituents","Journal of the Chemical Society, Dalton Transactions","1999","","17","3095","","10.1039/a904617h","","","0.71073","MoKα","","0.0412","0.0348","","","0.0844","0.0876","","","","","","1.022","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027766","10.7195","0.0001","13.0561","0.0002","11.2199","0.0002","90","","100.701","0.001","90","","1542.97","0.04","296","2","296","2","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cd O3 P S3 -","- C30 H29 Cd O3 P S3 -","- C60 H58 Cd2 O6 P2 S6 -","2","1","","Sampanthar, Jeyagowry T.; Deivaraj, Theivanayagam C.; Vittal, Jagadese J.; Dean, Philip A. W.","Thioacetate complexes of Group 12 metals. Structures of [Ph4P][Zn(SC{O}Me)3(H2O)] and [Ph4P][Cd(SC{O}Me)3] †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4419","","10.1039/a906494j","","","0.71073","MoKα","","0.0309","0.0271","","0.0678","0.0656","","","","1.023","1.036","1.036","","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7027826","7.625","0.003","17.769","0.005","14.628","0.007","90","","93.51","0.04","90","","1978.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[(salen)VOV(O)(salen)][I3]","","","- C18 H18 I1.5 N2 O3 V -","- C18 H18 I1.5 N2 O3 V -","- C72 H72 I6 N8 O12 V4 -","4","2","","Choudhary, Nosheen F.; Connelly, Neil G.; Hitchcock, Peter B.; Leigh, G. Jeffery","New compounds of tetradentate Schiff bases with vanadium(IV) and vanadium(V) †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4437","","10.1039/a908337e","","","0.71073","MoKα","","0.0842","0.0511","","0.1086","0.0948","","","","1.055","1.138","1.138","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027897","16.73","0.003","16.415","0.003","25.25","0.005","90","","90.7","0.03","90","","6934","2","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35.5 H38 Br Cl Fe0.5 N O P Pd -","- C35.5 H38 Br Cl Fe0.5 N O P Pd -","- C284 H304 Br8 Cl8 Fe4 N8 O8 P8 Pd8 -","8","4","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X = Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S )-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2)2}]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1241","","10.1039/a708407b","","","0.71073","MoKα","","0.0834","0.0694","","0.1797","0.1667","","","","1.108","1.142","1.142","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027916","9.4745","0.0004","11.421","0.0006","9.5782","0.0004","90","","96.172","0.003","90","","1030.43","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Mo N4 O8 -","- C20 H16 Mo N4 O8 -","- C40 H32 Mo2 N8 O16 -","2","1","","Wong, Yee-Lok; Yan, Yan; Chan, Edith S. H.; Yang, Qingchuan; Mak, Thomas C. W.; Ng, Dennis K. P.","cis-Dioxo-tungsten(VI) and -molybdenum(VI) complexes with N2O2 tetradentate ligands: synthesis, structure, electrochemistry and oxo-transfer properties","Journal of the Chemical Society, Dalton Transactions","1998","","18","3057","","10.1039/a804425b","","","0.71073","MoKα","","0.0588","0.0551","","0.1575","0.1424","","","","1.018","1.02","1.02","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7028053","12.872","0.001","11.296","0.001","13.337","0.001","90","","96.37","0.01","90","","1927.3","0.3","293","2","293","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","syn-(-)-(Sp,R,R,Sp)-5","","","- C36 H46 Br2 Fe2 N4 O2 Pd2 -","- C36 H46 Br2 Fe2 N4 O2 Pd2 -","- C72 H92 Br4 Fe4 N8 O4 Pd4 -","2","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Enantiopure planar chiral monomers and di-μ-bromo-bridged dimers of ferrocenylhydrazones from asymmetric cyclopalladation","Journal of the Chemical Society, Dalton Transactions","1998","","22","3785","","10.1039/a806052e","","","0.71073","MoKα","","0.056","0.0551","","0.1586","0.1555","","","","1.004","1.006","1.006","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028136","10.826","0.009","30","0.03","11.14","0.014","90","","104.763","0.01","90","","3499","6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 La2 N21 O39 -","- C45 H39 La2 N21 O39 -","- C90 H78 La4 N42 O78 -","2","1","","Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Russell, Mark L.; Liljenzin, Jan-Olov; Sklberg, Mats; Spjuth, Lena; Madic, Charles","Theoretical and experimental studies of the protonated terpyridine cation. Ab initio quantum mechanics calculations, and crystal structures of two different ion pairs formed between protonated terpyridine cations and nitratolanthanate(III) anions †","Journal of the Chemical Society, Dalton Transactions","1998","","18","2973","","10.1039/a802458h","","","0.71073","MoKα","","0.0657","0.0582","","","0.1779","0.1901","","","","","","1.041","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028192","8.238","0.001","14.169","0.001","8.427","0.001","90","0","105.54","0.01","90","0","947.68","0.18","295","","295","","","","","","","","?","7","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl N3 O4 S2 Tc -","- C14 H17 Cl N3 O4 S2 Tc -","- C28 H34 Cl2 N6 O8 S4 Tc2 -","2","1","","Cattabriga, Michela; Marchi, Andrea; Marvelli, Lorenza; Rossi, Roberto; Vertuani, Gianni; Pecoraro, Rita; Scatturin, Angelo; Bertolasi, Valerio; Ferretti, Valeria","Synthesis and structural characterization of technetium and rhenium complexes containing derivatized amino acids","Journal of the Chemical Society, Dalton Transactions","1998","","9","1453","","10.1039/a707842k","","","0.71069","MoKα","","","0.017","","","","0.021","","","","","","1.331","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028213","7.17","0.003","17.333","0.007","7.37","0.004","90","","118.053","0.001","90","","808.3","0.6","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H5 F5 N2 O2 V2 -","- C3 H5 F5 N2 O2 V2 -","- C12 H20 F20 N8 O8 V8 -","4","2","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0468","0.0395","","","0.0772","0.0815","","","","","","1.013","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028269","10.70201","0.0001","20.157","0.0005","12.898","0.0009","90","","94.132","0.004","90","","2775.1","0.2","150","","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl2 N Sb -","- C31 H32 Cl2 N Sb -","- C124 H128 Cl8 N4 Sb4 -","4","2","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0306","0.0263","","","0.055","0.058","","","","","","1.136","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028293","11.58","0.0006","20.4163","0.0011","21.4575","0.0011","90","","102.792","0.001","90","","4947.1","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl10 N2 O4 Rh2 -","- C42 H48 Cl10 N2 O4 Rh2 -","- C168 H192 Cl40 N8 O16 Rh8 -","4","2","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Taylor, Dale; Smith, Peter J.; Riedel, Tina; Dyson, Paul J.; Chibale, Kelly; Smith, Gregory S.","Synthesis and evaluation of new polynuclear organometallic Ru(II), Rh(III) and Ir(III) pyridyl ester complexes as in vitro antiparasitic and antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","513","526","10.1039/c3dt52090k","","","0.71073","MoKα","","0.1052","0.072","","","0.1796","0.2009","","","","","","1.023","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028294","11.572","0.002","20.505","0.004","21.518","0.004","90","","103.65","0.03","90","","4961.7","1.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl10 Ir2 N2 O4 -","- C42 H48 Cl10 Ir2 N2 O4 -","- C168 H192 Cl40 Ir8 N8 O16 -","4","2","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Taylor, Dale; Smith, Peter J.; Riedel, Tina; Dyson, Paul J.; Chibale, Kelly; Smith, Gregory S.","Synthesis and evaluation of new polynuclear organometallic Ru(II), Rh(III) and Ir(III) pyridyl ester complexes as in vitro antiparasitic and antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","513","526","10.1039/c3dt52090k","","","0.71073","MoKα","","0.0404","0.036","","","0.0912","0.0942","","","","","","1.04","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028308","9.834","0.0003","17.6823","0.0006","10.1316","0.0004","90","","98.332","0.001","90","","1743.17","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H43 N7 Ni2 O4 S3 -","- C25 H43 N7 Ni2 O4 S3 -","- C50 H86 N14 Ni4 O8 S6 -","2","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0611","0.0372","","","0.071","0.0778","","","","","","0.902","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028322","10.4965","0.0009","8.8178","0.0005","14.8505","0.0015","90","","110.161","0.01","90","","1290.3","0.2","446","2","446.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H27 Gd K3 N2 O18 P -","- C10 H27 Gd K3 N2 O18 P -","- C20 H54 Gd2 K6 N4 O36 P2 -","2","1","","Gao, Song; Chen, Mao-Long; Zhou, Zhao-Hui","Substitution of gadolinium ethylenediaminetetraacetate with phosphites: towards gadolinium deposit in nephrogenic systemic fibrosis.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","639","645","10.1039/c3dt52015c","","","0.71073","MoKα","","0.049","0.0418","","","0.0768","0.0813","","","","","","0.949","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028379","12.3597","0.0009","11.3107","0.0007","14.841","0.0008","90","","106.96","0.005","90","","1984.5","0.2","295","2","295","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H42 Cl3 F6 N2 O P Ru -","- C40 H42 Cl3 F6 N2 O P Ru -","- C80 H84 Cl6 F12 N4 O2 P2 Ru2 -","2","1","","Ruzziconi, Renzo; Bellachioma, Gianfranco; Ciancaleoni, Gianluca; Lepri, Susan; Superchi, Stefano; Zanasi, Riccardo; Monaco, Guglielmo","Cationic half-sandwich quinolinophaneoxazoline-based (η6-p-cymene)ruthenium(II) complexes exhibiting different chirality types: synthesis and structural determination by complementary spectroscopic methods.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1636","1650","10.1039/c3dt52291a","","","0.71073","MoKα","","0.0719","0.0468","","","0.108","0.1159","","","","","","0.923","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028392","7.0275","0.0003","25.8608","0.001","14.6674","0.0004","90","","90.519","0.003","90","","2665.5","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H40 Ag3 F9 N8 O17 S3 -","- C43 H40 Ag3 F9 N8 O17 S3 -","- C86 H80 Ag6 F18 N16 O34 S6 -","2","1","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0334","0.0311","","","0.0605","0.0616","","","","","","1.146","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028460","8.6919","0.0002","17.362","0.0006","16.9847","0.0005","90","","93.288","0.002","90","","2558.92","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 F6 N3 O P -","- C24 H32 F6 N3 O P -","- C96 H128 F24 N12 O4 P4 -","4","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2971","2978","10.1039/c3dt52841c","","","0.71073","MoKα","","0.076","0.0594","","","0.1247","0.135","","","","","","1.054","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028649","12.4204","0.0006","20.4162","0.0007","14.9983","0.0006","90","","93.042","0.004","90","","3797.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C161 H141 Fe4 Mn4 N35 O15 -","2","1","","Zhang, Daopeng; Bian, Yongzhong; Qin, Jie; Wang, Ping; Chen, Xia","The supramolecular interaction mediated chiral 1D cyanide-bridged metamagnet: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","945","949","10.1039/c3dt52996g","","","0.71073","MoKα","","0.0719","0.0527","","","0.1251","0.1385","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028650","12.408","0.0006","20.4024","0.0009","15.0189","0.0009","90","","92.969","0.005","90","","3797","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C161 H141 Fe4 Mn4 N35 O15 -","2","1","","Zhang, Daopeng; Bian, Yongzhong; Qin, Jie; Wang, Ping; Chen, Xia","The supramolecular interaction mediated chiral 1D cyanide-bridged metamagnet: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","945","949","10.1039/c3dt52996g","","","0.71073","MoKα","","0.1348","0.0934","","","0.2226","0.2692","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028651","17.106","0.004","12.42","0.003","17.628","0.004","90","","93.337","0.005","90","","3738.8","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H96 N6 O12 Y2 -","- C77 H96 N6 O12 Y2 -","- C154 H192 N12 O24 Y4 -","2","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.1487","0.0945","","","0.2033","0.2271","","","","","","1.046","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028656","13.64","0.002","10.6561","0.0015","14.196","0.002","90","","95.13","0.004","90","","2055.1","0.5","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H48 Al N3 O6 -","- C48 H48 Al N3 O6 -","- C96 H96 Al2 N6 O12 -","2","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0917","0.0672","","","0.1747","0.1908","","","","","","1.004","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028834","5.1611","0.0017","21.52","0.007","12.209","0.004","90","","101.474","0.006","90","","1328.9","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H26 N4 O4 -","- C32 H26 N4 O4 -","- C64 H52 N8 O8 -","2","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.1445","0.0791","","","0.1813","0.202","","","","","","1.024","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028878","10.36","0.01","16.91","0.01","17.93","0.01","90","","103.68","0.02","90","","3052","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","25,27-bis-{2,2'-[(1R,2R)-(1,2-diphenyl)-1,2-ethanediyl-bis-[nitrilomethyl- (2-hydroxy-3,1-phenylene)-oxy]]-ethoxy-N,N',O,O'}-26,28-bis-propyloxy- calix[4]arene-1,3-alternated-aqua-dioxo-uranium acetonitrile solvate","","- C70 H70 N4 O11 U -","- C70 H70 N4 O11 U -","- C140 H140 N8 O22 U2 -","2","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Ballistreri, Francesco P.; Geremia, Silvano; Pappalardo, Andrea; Tomaselli, Gaetano A.; Toscano, Rosa M.; Sciotto, Domenico","Novel chiral (salen)Mn(III) complexes containing a calix[4]arene unit in 1,3-alternate conformation as catalysts for enantioselective epoxidation reactions of (Z)-aryl alkenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2183","2193","10.1039/c3dt52550c","","","0.7","","","0.0668","0.0565","","","0.1423","0.1466","","","","","","0.994","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029042","8.4303","0.0006","20.4508","0.0014","17.5857","0.0012","90","","94.393","0.004","90","","3023","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H22 B2 F8 N6 -","- C32 H22 B2 F8 N6 -","- C128 H88 B8 F32 N24 -","4","2","","Weber, Lothar; Halama, Johannes; Hanke, Kenny; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3347","3363","10.1039/c3dt52836g","","","0.71073","MoKα","","0.0503","0.0384","","","0.0907","0.0974","","","","","","1.011","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029059","15.033","0.007","25.599","0.011","15.034","0.007","90","","107.686","0.007","90","","5512","4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H116 Cl4 Co10 N12 O41.5 -","- C92.5 H109 Cl4 Co10 N12 O41.5 -","- C185 H218 Cl8 Co20 N24 O83 -","2","1","","Li, Qipeng; Qian, Jinjie; Tian, Chongbin; Lin, Ping; He, Zhangzhen; Wang, Ning; Shen, Jinni; Zhang, Huabin; Chu, Tao; Yuan, Daqiang; Yang, Yi; Xue, Liping; Du, Shaowu","Butterfly-like enantiomerically homochiral {Co(II)6Co(III)4} clusters exhibiting both slow magnetic relaxation and ferroelectric property.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3238","3243","10.1039/c3dt53214c","","","0.71073","MoKα","","0.0641","0.0541","","","0.1251","0.1353","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029060","15.13","0.008","25.739","0.012","15.205","0.007","90","","107.966","0.009","90","","5633","5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H116 Cl4 Co10 N12 O41.5 -","- C92.5 H109 Cl4 Co10 N12 O41.5 -","- C185 H218 Cl8 Co20 N24 O83 -","2","1","","Li, Qipeng; Qian, Jinjie; Tian, Chongbin; Lin, Ping; He, Zhangzhen; Wang, Ning; Shen, Jinni; Zhang, Huabin; Chu, Tao; Yuan, Daqiang; Yang, Yi; Xue, Liping; Du, Shaowu","Butterfly-like enantiomerically homochiral {Co(II)6Co(III)4} clusters exhibiting both slow magnetic relaxation and ferroelectric property.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3238","3243","10.1039/c3dt53214c","","","0.71073","MoKα","","0.1404","0.0647","","","0.108","0.1306","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029067","16.146","0.005","5.602","0.003","17.357","0.006","90","","99.1","0.03","90","","1550.2","1.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Λ-rac-Bis{(R)-N-1-(4-bromophenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}copper(II)","","- C38 H30 Br2 Cu N2 O2 -","- C38 H30 Br2 Cu N2 O2 -","- C76 H60 Br4 Cu2 N4 O4 -","2","1","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0498","0.0326","","","0.0574","0.061","","","","","","0.916","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029082","15.6466","0.0004","23.6922","0.0007","20.462","0.0004","90","","93.024","0.001","90","","7574.7","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H184 Au6 Cu2 F12 O10 P8 -","- C144 H184 Au6 Cu2 F12 O10 P8 -","- C288 H368 Au12 Cu4 F24 O20 P16 -","2","1","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.0533","0.0455","","","0.1213","0.1257","","","","","","1.063","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029083","15.6391","0.0007","24.0712","0.001","20.4371","0.0008","90","","90.928","0.002","90","","7692.6","0.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C146 H184 Ag2 Au6 Cl8 F12 O8 P8 -","- C146 H184 Ag2 Au6 Cl8 F12 O8 P8 -","- C292 H368 Ag4 Au12 Cl16 F24 O16 P16 -","2","1","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.0271","0.0243","","","0.061","0.0625","","","","","","1.042","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029143","9.986","0.0006","19.2471","0.0012","24.3594","0.0016","90","","90.793","0.002","90","","4681.5","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Cl3 N4 O2 P Ru -","- C48 H54 Cl3 N4 O2 P Ru -","- C192 H216 Cl12 N16 O8 P4 Ru4 -","4","2","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.1042","0.046","","","0.0531","0.0656","","","","","","0.662","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029161","13.8398","0.0015","7.2308","0.0008","13.9096","0.0016","90","","118.406","0.003","90","","1224.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 Cu2 N2 O10 -","- C22 H30 Cu2 N2 O10 -","- C44 H60 Cu4 N4 O20 -","2","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0279","0.023","","","0.0527","0.0541","","","","","","1.067","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029162","13.1237","0.0009","7.2533","0.0005","13.6424","0.001","90","","117.042","0.001","90","","1156.65","0.14","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl2 Cu2 N2 O8 -","- C20 H24 Cl2 Cu2 N2 O8 -","- C40 H48 Cl4 Cu4 N4 O16 -","2","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0774","0.0514","","","0.0906","0.1001","","","","","","1.006","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029163","13.1442","0.0016","7.2517","0.0009","13.7162","0.0017","90","","117.64","0.004","90","","1158.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br2 Cu2 N2 O8 -","- C20 H24 Br2 Cu2 N2 O8 -","- C40 H48 Br4 Cu4 N4 O16 -","2","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.023","0.0219","","","0.0565","0.0571","","","","","","1.014","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029216","6.3226","0.0002","17.6883","0.0006","21.9405","0.0008","90","","90.795","0.001","90","","2453.5","0.14","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl4 Hg2 N4 O4 -","- C48 H56 Cl4 Hg2 N4 O4 -","- C96 H112 Cl8 Hg4 N8 O8 -","2","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0924","0.0434","","","0.055","0.0652","","","","","","1.01","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029217","15.097","0.001","4.9256","0.0003","17.5598","0.0012","90","","100.365","0.002","90","","1284.47","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C60 H64 N4 O4 -","2","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0831","0.0522","","","0.1069","0.1237","","","","","","1.01","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029281","8.7298","0.0005","22.0835","0.0012","10.9754","0.0006","90","","112.501","0.002","90","","1954.81","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 B20 F12 -","- C26 H30 B20 F12 -","- C52 H60 B40 F24 -","2","1","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4978","4985","10.1039/c3dt52465e","","","0.71073","MoKα","","0.0938","0.0593","","","0.1577","0.1861","","","","","","1.017","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029305","7.7083","0.0006","11.3413","0.0009","9.9968","0.0008","90","","109.9","0.004","90","","821.76","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C24 H44 B20 Co4 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0648","0.0469","","","0.1026","0.112","","","","","","1.029","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029342","12.013","0.004","29.317","0.009","12.157","0.004","90","","96.824","0.004","90","","4251","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H48 B20 Cl2 P Rh S2 -","- C26 H46 B20 P Rh S2 -","- C104 H184 B80 P4 Rh4 S8 -","4","2","","Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin","Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4938","4940","10.1039/c3dt51906f","","","0.71073","MoKα","","0.0579","0.0419","","","0.092","0.0968","","","","","","0.923","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029369","8.444","0.0007","12.3232","0.001","8.7986","0.0007","90","","114.066","0.006","90","","835.97","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 Co N12 -","- C13 H15 Co N12 -","- C26 H30 Co2 N24 -","2","1","","Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti","Methylene bridge regulated geometrical preferences of ligands in cobalt(iii) coordination chemistry and phenoxazinone synthase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5443","5452","10.1039/c3dt52597j","","","0.71073","MoKα","","0.1106","0.0655","","","0.1436","0.1669","","","","","","0.964","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029409","15.7387","0.0004","11.7343","0.0003","15.7462","0.0003","90","","112.603","0.002","90","","2684.68","0.12","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Al Li O4 -","- C12 H28 Al Li O4 -","- C72 H168 Al6 Li6 O24 -","6","3","","Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.","Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5785","5792","10.1039/c4dt00152d","","","0.71073","MoKα","","0.1119","0.1099","","","0.3226","0.3309","","","","","","1.742","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029423","6.7161","0.0002","8.8109","0.0003","14.4813","0.0005","90","","102.699","0.001","90","","835.97","0.05","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl2 N2 O2 Pd -","- C15 H20 Cl2 N2 O2 Pd -","- C30 H40 Cl4 N4 O4 Pd2 -","2","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0187","0.0181","","","0.0434","0.0479","","","","","","1.106","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029424","8.8571","0.0002","14.1867","0.0003","11.1258","0.0003","90","","95.091","0.001","90","","1392.48","0.06","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl8 N2 Pd2 -","- C21 H26 Cl8 N2 Pd2 -","- C42 H52 Cl16 N4 Pd4 -","2","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0237","0.0226","","","0.046","0.0466","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7029425","10.8357","0.0008","6.3586","0.0004","14.7427","0.0011","90","","108.798","0.002","90","","961.59","0.12","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl3 N3 O4 Pd -","- C14 H18 Cl3 N3 O4 Pd -","- C28 H36 Cl6 N6 O8 Pd2 -","2","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0505","0.037","","","0.0805","0.1045","","","","","","1.095","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029491","23.3418","0.0015","26.5625","0.0016","24.9717","0.0017","90","","112.984","0.002","90","","14253.7","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C130 H160 N10 Ni15 O80 -","- C130 H160 N10 Ni15 O80 -","- C260 H320 N20 Ni30 O160 -","2","1","","Thio, Yude; Toh, Shi Wei; Xue, Feng; Vittal, Jagadese J.","Self-assembly of a 15-nickel metallamacrocyclic complex derived from the l-glutamic acid Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5998","6001","10.1039/c4dt00257a","","","0.71073","MoKα","","0.0758","0.055","","","0.1257","0.1323","","","","","","1.034","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029517","7.782","0.003","9.277","0.003","14.065","0.005","90","","100.13","0.02","90","","999.6","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O7 -","- C24 H21 N O7 -","- C48 H42 N2 O14 -","2","1","","Koçer, Sibel; Uruş, Serhan; Cakır, Ahmet; Güllüce, Medine; Dığrak, Metin; Alan, Yusuf; Aslan, Ali; Tümer, Mehmet; Karadayı, Mehmet; Kazaz, Cavit; Dal, Hakan","The synthesis, characterization, antimicrobial and antimutagenic activities of hydroxyphenylimino ligands and their metal complexes of usnic acid isolated from Usnea longissima.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6148","6164","10.1039/c3dt53624f","","","0.71073","MoKα","","0.1685","0.0602","","","0.1223","0.183","","","","","","0.948","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029535","9.7605","0.0002","17.0778","0.0003","12.4657","0.0003","90","","94.379","0.002","90","","2071.82","0.08","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl Cu N2 Na O9.5 -","- C19 H21 Cl Cu N2 Na O9.5 -","- C76 H84 Cl4 Cu4 N8 Na4 O38 -","4","2","","Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Sinha, Chittaranjan; Huang, Jui-Hsien; Garribba, Eugenio","A mixed valent heterometallic Cu(II)/Na(I) coordination polymer with sodium-phenyl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5558","5563","10.1039/c4dt00189c","","","0.71073","MoKα","","0.0464","0.0373","","","0.083","0.088","","","","","","1.024","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7029603","7.0198","0.0006","18.956","0.002","11.9392","0.0007","90","","107.114","0.003","90","","1518.4","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H30 F6 Fe N6 O8 S2 -","- C24 H30 F6 Fe N6 O8 S2 -","- C48 H60 F12 Fe2 N12 O16 S4 -","2","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0394","0.0317","","","0.0568","0.0595","","","","","","1.068","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029608","8.89008","0.00011","8.19097","0.0001","10.05615","0.00016","90","","90.575","0.001","90","","732.236","0.017","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 Fe N3 O -","- C12 H17 Cl2 Fe N3 O -","- C24 H34 Cl4 Fe2 N6 O2 -","2","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0157","0.0154","","","0.0401","0.0404","","","","","","1.069","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029609","11.2439","0.0001","12.5035","0.0001","16.7671","0.0002","90","","101.853","0.0004","90","","2306.99","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23.5 H25 Cl3 Fe N2 O -","- C23.5 H25 Cl3 Fe N2 O -","- C94 H100 Cl12 Fe4 N8 O4 -","4","2","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0308","0.0286","","","0.0712","0.0728","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029610","11.1681","0.0002","12.397","0.0002","16.8766","0.0003","90","","103.697","0.0008","90","","2270.13","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl2 Fe N2 O -","- C24 H26 Cl2 Fe N2 O -","- C96 H104 Cl8 Fe4 N8 O4 -","4","2","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0546","0.0409","","","0.0846","0.0914","","","","","","1.051","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029625","10.3062","0.0011","31.646","0.004","11.0699","0.0012","90","","99.483","0.002","90","","3561.1","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H46 Cl N2 O2 -","- C40 H46 Cl N2 O2 -","- C160 H184 Cl4 N8 O8 -","4","2","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0693","0.0546","","","0.1347","0.1458","","","","","","1.014","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029738","9.5323","0.0001","18.0066","0.0002","10.3935","0.0001","90","","96.822","0.001","90","","1771.35","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H11 Cl2 Cu N2 O5.5 -","- C18 H11 Cl2 Cu N2 O5.5 -","- C72 H44 Cl8 Cu4 N8 O22 -","4","2","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54179","CuKα","","","0.0273","","","","0.0716","","","","","","1.071","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029739","9.0076","0.0001","7.4235","0.0001","14.1624","0.0002","90","","90.873","0.001","90","","946.9","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl2 Cu N2 O5 -","- C20 H14 Cl2 Cu N2 O5 -","- C40 H28 Cl4 Cu2 N4 O10 -","2","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54179","CuKα","","","0.0724","","","","0.1997","","","","","","1.137","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029896","10.9983","0.0004","17.1078","0.0007","11.1127","0.0004","90","","110.887","0.002","90","","1953.52","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 Li2 N2 O3 -","- C42 H62 Li2 N2 O3 -","- C84 H124 Li4 N4 O6 -","2","1","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.031","0.0296","","","0.0779","0.0791","","","","","","1.027","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029899","12.8902","0.0007","10.9298","0.0005","13.7766","0.0007","90","","109.186","0.001","90","","1833.14","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 Cl N4 O5 Re -","- C38 H52 Cl N4 O5 Re -","- C76 H104 Cl2 N8 O10 Re2 -","2","1","","Bullock, Sam; Hallett, Andrew J.; Harding, Lindsay P.; Higginson, Joshua J.; Piela, Sean A. F.; Pope, Simon J. A.; Rice, Craig R.","Luminescent rhenium fac-tricarbonyl-containing complexes of androgenic oxo-steroids.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14690","14696","10.1039/c2dt31476b","","","0.71073","MoKα","","0.0552","0.0356","","","0.063","0.0692","","","","","","0.918","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030013","8.813","0.002","17.454","0.005","11.745","0.003","90","","99.292","0.004","90","","1782.9","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H28 N4 Ni O8 -","- C35 H26 N4 Ni O8 -","- C70 H52 N8 Ni2 O16 -","2","1","","Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun","A series of Ni(II)-flavonolate complexes as structural and functional ES (enzyme-substrate) models of the Ni(II)-containing quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6480","6489","10.1039/c3dt53349b","","","0.71073","MoKα","","0.0873","0.0664","","","0.1748","0.1883","","","","","","1.008","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030150","7.076","0.0005","8.8805","0.0007","19.0843","0.0013","90","","91.697","0.007","90","","1198.7","0.15","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 -","- C28 H30 N4 -","- C56 H60 N8 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.1036","0.0482","","","0.0813","0.0863","","","","","","1.033","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030151","7.0752","0.0004","8.8818","0.0006","19.0839","0.0014","90","","91.796","0.006","90","","1198.65","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 -","- C28 H30 N4 -","- C56 H60 N8 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.105","0.0531","","","0.1149","0.123","","","","","","1.022","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030153","13.9513","0.0008","20.0822","0.0008","18.7419","0.0011","90","","104.474","0.006","90","","5084.3","0.5","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H98 Eu2 N4 O13 -","- C118 H98 Eu2 N4 O13 -","- C236 H196 Eu4 N8 O26 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0631","0.055","","","0.1252","0.1273","","","","","","1.038","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030155","14.1024","0.0009","20.3261","0.0009","19.103","0.0005","90","","105.54","0.003","90","","5275.6","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H98 Eu2 N4 O13 -","- C118 H98 Eu2 N4 O13 -","- C236 H196 Eu4 N8 O26 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.052","0.0466","","","0.1205","0.1221","","","","","","1.066","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030229","8.4437","0.0002","9.4089","0.0002","19.3916","0.0004","90","","97.7092","0.0011","90","","1526.66","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H40 B2 N2 -","- C36 H40 B2 N2 -","- C72 H80 B4 N4 -","2","1","","Weber, Lothar; Eickhoff, Daniel; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","Diazaborolyl-boryl push-pull systems with ethynylene-arylene bridges as 'turn-on' fluoride sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10328","10346","10.1039/c2dt30438d","","","0.71073","MoKα","","0.0438","0.0364","","","0.0841","0.0879","","","","","","1.024","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030311","11.8","0.01","16.619","0.011","11.95","0.01","90","","112.79","0.014","90","","2160","3","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H55 Cl2 N2 O2 P Pd -","- C46 H55 Cl2 N2 O2 P Pd -","- C92 H110 Cl4 N4 O4 P2 Pd2 -","2","1","","Jurčík, Václav; Schmid, Thibault E.; Dumont, Quentin; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(NHC)(PR3)] (NHC = N-heterocyclic carbene) catalysed alcohol oxidation using molecular oxygen.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12619","12623","10.1039/c2dt30133d","","","0.71073","MoKα","","0.0749","0.067","","","0.1541","0.1598","","","","","","1.088","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030366","9.947","0.003","8.477","0.002","12.816","0.003","90","","97.646","0.004","90","","1071","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sad357","","","- C17 H32 N P Si2 Zr -","- C17 H32 N P Si2 Zr -","- C34 H64 N2 P2 Si4 Zr2 -","2","1","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.0377","0.0369","","","0.0999","0.1009","","","","","","1.067","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030459","6.729","0.0007","6.9404","0.0005","10.6748","0.0011","90","","105.789","0.006","90","","479.72","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H8 Bi Ge N S4 -","- C2 H8 Bi Ge N S4 -","- C4 H16 Bi2 Ge2 N2 S8 -","2","1","","Feng, Mei-Ling; Qi, Xing-Hui; Zhang, Bo; Huang, Xiao-Ying","[(Me)2NH2][BiGeS4]: the first organically directed bismuth thiogermanate with Rb(+) ion exchange property.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8184","8187","10.1039/c4dt00173g","","","0.71073","MoKα","","0.0465","0.0447","","","0.0839","0.0844","","","","","","0.999","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030465","12.0476","0.0006","15.8026","0.0007","12.8251","0.0007","90","","114.284","0.002","90","","2225.64","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H57 K N2 O4 Pt -","- C49 H57 K N2 O4 Pt -","- C98 H114 K2 N4 O8 Pt2 -","2","1","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.0637","0.0503","","","0.1132","0.1182","","","","","","1.11","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030765","9.324","0.004","7.978","0.002","18.741","0.008","90","","93.935","0.002","90","","1390.8","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl2 Co N6 O9 -","- C21 H30 Cl2 Co N6 O9 -","- C42 H60 Cl4 Co2 N12 O18 -","2","1","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.117","0.108","","","0.2657","0.2755","","","","","","1.135","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030955","12.475","0.002","19.361","0.004","24.438","0.005","90","","104.566","0.002","90","","5712.8","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Fe4L6-Br(R)","","","- C107 H112.5 Br6 Fe4 N11.5 O18 -","- C107 H110.5 Br6 Fe4 N11.5 O18 -","- C214 H221 Br12 Fe8 N23 O36 -","2","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.1198","0.0981","","","0.1812","0.1949","","","","","","1.137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030956","12.484","0.003","19.542","0.004","24.631","0.005","90","","104.65","0.03","90","","5814","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Fe4L6-I(R)","","","- C108 H114 Fe4 I6 N12 O18 -","- C108 H114 Fe4 I6 N12 O18 -","- C216 H228 Fe8 I12 N24 O36 -","2","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0742","0.0687","","","0.1926","0.2071","","","","","","1.11","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030957","17.7804","0.0003","21.4247","0.0004","18.2283","0.0004","90","","91.988","0.002","90","","6939.7","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","Fe4L6-tBu(R)","","","- C138 H180 Fe4 N12 O18 -","- C138 H180 Fe4 N12 O18 -","- C276 H360 Fe8 N24 O36 -","2","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0758","0.0604","","","0.1574","0.1719","","","","","","1.039","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030958","12.863","0.003","12.141","0.003","14.571","0.004","90","","101.508","0.007","90","","2229.8","1","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C43 H32 B2 Cl3 F2 Fe N6 O6 P S -","- C43 H32 B2 Cl3 F2 Fe N6 O6 P S -","- C86 H64 B4 Cl6 F4 Fe2 N12 O12 P2 S2 -","2","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.0872","0.0552","","","0.0795","0.0935","","","","","","1.004","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7031036","8.386","0.002","13.944","0.003","13.838","0.003","90","","107.6","0.02","90","","1542.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Ga N2 O2 -","- C17 H15 Ga N2 O2 -","- C68 H60 Ga4 N8 O8 -","4","2","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0353","0.0339","","","0.0789","0.0798","","","","","","1.026","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031041","10.1555","0.0002","12.3482","0.0003","10.4107","0.0002","90","","98.7439","0.0014","90","","1290.35","0.05","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.043","0.0375","","","0.0902","0.0941","","","","","","1.066","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031102","10.526","0.003","21.68","0.003","12.111","0.002","90","","115.48","0.02","90","","2495","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H35 B10 N4 O P -","- C14 H35 B10 N4 O P -","- C56 H140 B40 N16 O4 P4 -","4","2","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","1.54178","CuKα","","0.0762","0.0496","","0.1291","0.1143","","","","1.059","1.116","1.116","","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031164","9.4286","0.0003","17.1595","0.0005","9.6558","0.0003","90","","109.868","0.001","90","","1469.23","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Cl2 Cu N6 O8 -","- C27 H36 Cl2 Cu N6 O8 -","- C54 H72 Cl4 Cu2 N12 O16 -","2","1","","Park, Gyungse; Przyborowska, Ann M.; Ye, Neng; Tsoupas, Nicole M.; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Brechbiel, Martin W.; Planalp, Roy P.","Steric effects caused by N-alkylation of the tripodal chelator N,N′,N″-tris(2-pyridylmethyl)-cis,cis-1,3,5-triaminocyclohexane (tachpyr): structural and electronic properties of the Mn(ii), Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes","Dalton Transactions","2003","","3","318","","10.1039/b209228j","","","0.71073","MoKα","","0.0561","0.0473","","0.1287","0.1189","","","","1.039","1.084","1.084","","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031172","7.431","0.003","8.826","0.003","10.21","0.004","90","","106.562","0.006","90","","641.9","0.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H8 Ag N5 O3 S2 -","- C9 H8 Ag N5 O3 S2 -","- C18 H16 Ag2 N10 O6 S4 -","2","1","","Zheng, Yan; Du, Miao; Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the framework formation of silver(i) coordination architectures with heterocyclic thioethers","Dalton Transactions","2003","","8","1509","","10.1039/b212499h","","","0.71073","MoKα","","0.0295","0.0232","","","0.0442","0.0458","","","","","","1.094","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031221","10.58","0.0004","10.1062","0.0006","10.651","0.0006","90","","117.187","0.003","90","","1013.02","0.1","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H27 B K N O -","- C21 H27 B K N O -","- C42 H54 B2 K2 N2 O2 -","2","1","","Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9012","9015","10.1039/c4dt00812j","","","0.71073","MoKα","","0.0466","0.0386","","","0.0799","0.0867","","","","","","1.155","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031416","12.485","0.002","8.9394","0.0014","14.694","0.002","90","","99.993","0.003","90","","1615.1","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 Cu F6 N4 O7 S2 -","- C26 H36 Cu F6 N4 O7 S2 -","- C52 H72 Cu2 F12 N8 O14 S4 -","2","1","","Das, Anjan; Kureshy, Rukhsana I.; Maity, Nabin Ch; Subramanian, P. S.; Khan, Noor-Ul H; Abdi, Sayed H. R.; Suresh, E.; Bajaj, Hari C.","Synthesis and characterization of new chiral Cu(ii)-N4 complexes and their application in the asymmetric aza-Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12357","12364","10.1039/c4dt01202j","","","0.71073","MoKα","","0.0986","0.0795","","","0.1712","0.1795","","","","","","1.102","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031443","9.0172","0.0003","15.0295","0.0006","12.2995","0.0005","90","","94.9522","0.0017","90","","1660.66","0.11","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H46 Ir N4 -","- C40 H46 Ir N4 -","- C80 H92 Ir2 N8 -","2","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0877","0.0492","","0.0946","0.0832","0.0946","","","","","","0.9235","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031539","9.3343","0.0004","6.937","0.0002","10.574","0.0004","90","","92.156","0.004","90","","684.2","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H17 Co N O9 S -","- C7 H17 Co N O9 S -","- C14 H34 Co2 N2 O18 S2 -","2","1","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","0.71073","MoKα","","0.0279","0.026","","","0.069","0.0699","","","","","","1.109","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031637","14.444","0.002","23.205","0.003","14.665","0.002","90","","101.418","0.002","90","","4818","1.1","180","2","180.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H89.4 Cl2 Mn4 N16 O16.7 P2 -","- C96 H88 Cl2 Mn4 N16 O16.7 P2 -","- C192 H176 Cl4 Mn8 N32 O33.4 P4 -","2","1","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0638","0.0504","","","0.1199","0.1283","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031677","4.0517","0.0001","24.3412","0.0007","10.7681","0.0004","90","","93.9769","0.0017","90","","1059.43","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H7 N8 O Pb2 S8 -","- C9 H7 N8 O Pb2 S8 -","- C18 H14 N16 O2 Pb4 S16 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.0449","0.0386","","","0.0924","0.0964","","","","","","1.013","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031760","10.764","0.013","16.732","0.017","13.314","0.017","90","","105.78","0.02","90","","2308","5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H44 N5 O4 P3 -","- C54 H44 N5 O4 P3 -","- C108 H88 N10 O8 P6 -","2","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.092","0.0541","","","0.1259","0.1513","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032048","24.1788","0.0006","12.3145","0.0004","24.91","0.0006","90","","104.494","0.001","90","","7180.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Cl7 N3 O2 Pd -","- C26 H30 Cl7 N3 O2 Pd -","- C208 H240 Cl56 N24 O16 Pd8 -","8","4","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.0612","0.0487","","","0.1242","0.1307","","","","","","1.038","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032050","11.089","0.003","9.429","0.004","13.503","0.007","90","","93.98","0.04","90","","1408.4","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H39 I2 N3 O2 Pd -","- C23 H39 I2 N3 O2 Pd -","- C46 H78 I4 N6 O4 Pd2 -","2","1","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71073","MoKα","","0.0231","0.0206","","","0.0507","0.0525","","","","","","0.817","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032122","8.7102","0.0005","15.367","0.0005","11.5589","0.0007","90","","109.3","0.007","90","","1460.21","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl3 N2 Sb -","- C28 H40 Cl3 N2 Sb -","- C56 H80 Cl6 N4 Sb2 -","2","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.71073","MoKα","","0.0258","0.023","","","0.0488","0.0501","","","","","","1.016","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032154","8.775","0.0009","22.773","0.002","19.917","0.002","90","","99.781","0.004","90","","3922.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 B Cl N P -","- C18 H32 B Cl N P -","- C144 H256 B8 Cl8 N8 P8 -","8","4","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.1564","0.0722","","","0.118","0.1485","","","","","","0.983","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032191","17.7182","0.0011","10.9859","0.0006","17.7794","0.0011","90","","101.371","0.002","90","","3392.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H54 Al B N2 O -","- C34 H54 Al B N2 O -","- C136 H216 Al4 B4 N8 O4 -","4","2","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.038","0.035","","","0.0865","0.0882","","","","","","1.047","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032213","8.4187","0.0002","16.521","0.0004","18.4677","0.0004","90","","100.027","0.002","90","","2529.35","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H25.5 Cl2 N6 O9.75 Pt -","- C20 H22 Cl2 N6 O9.75 Pt -","- C80 H88 Cl8 N24 O39 Pt4 -","4","2","","Pages, Benjamin J.; Li, Feng; Wormell, Paul; Ang, Dale L.; Clegg, Jack K.; Kepert, Cameron J.; Spare, Lawson K.; Danchaiwijit, Supawich; Aldrich-Wright, Janice R","Synthesis and analysis of the anticancer activity of platinum(ii) complexes incorporating dipyridoquinoxaline variants.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15566","15575","10.1039/c4dt02133a","","","0.71073","MoKα","","0.0902","0.0504","","","0.1095","0.1316","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032499","11.9038","0.0006","14.3044","0.0007","32.5897","0.0018","90","","90.138","0.002","90","","5549.3","0.5","150","2","150","2","","","","","","","synthesis as described","9","P 1 21 1","P 2yb","4","","","","- C105 H58 B4 Cl14 F60 N4 O2 Pb2 Se2 -","- C98 H44 B4 F60 N4 O2 Pb2 Se2 -","- C196 H88 B8 F120 N8 O4 Pb4 Se4 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0673","0.0604","","","0.1561","0.1612","","","","","","1.021","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032520","10.6511","0.0019","20.51","0.004","17.812","0.003","90","","104.68","0.002","90","","3764.1","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H112 O6 Se2 Th -","- C78 H112 O6 Se2 Th -","- C156 H224 O12 Se4 Th2 -","2","1","","Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R.","Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2693","2702","10.1039/c4dt01798f","","","0.71073","MoKα","","0.0373","0.0272","","","0.0505","0.0532","","","","","","0.92","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032592","16.314","0.0013","15.3614","0.0006","18.1903","0.0008","90","","92.867","0.007","90","","4552.9","0.5","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H162 Br Cr Mo6 N5 O26 -","- C68 H157.818 Br Cr Mo6 N5 O25.409 -","- C136 H315.636 Br2 Cr2 Mo12 N10 O50.818 -","2","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0465","0.0359","","","0.0861","0.0933","","","","","","1.03","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032595","16.1276","0.0006","15.453","0.0004","18.2045","0.0003","90","","92.631","0.002","90","","4532.1","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H156 Br Cr Mo6 N4 O24 -","- C69 H154.5 Br Cr Mo6 N4 O24 -","- C138 H309 Br2 Cr2 Mo12 N8 O48 -","2","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.06","0.0518","","","0.1035","0.1122","","","","","","1.082","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032597","16.1185","0.0003","15.6094","0.0003","18.3046","0.0003","90","","93.353","0.0018","90","","4597.56","0.14","104","2","104","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H158 Br Cr Mo6 N4 O24 -","- C70 H158 Br Cr Mo6 N4 O24 -","- C140 H316 Br2 Cr2 Mo12 N8 O48 -","2","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","1.54184","CuKα","","0.056","0.0542","","","0.1003","0.1028","","","","","","1.027","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032652","13.534","0.007","19.469","0.01","14.094","0.007","90","","99.475","0.006","90","","3663","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H32 F12 N4 P2 Ru S2 -","- C35 H32 F12 N4 P2 Ru S2 -","- C140 H128 F48 N16 P8 Ru4 S8 -","4","2","","King, Albert W.; Malizia, Jason P.; Engle, James T.; Ziegler, Christopher J.; Rack, Jeffrey J.","Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17847","17855","10.1039/c4dt01402b","","","0.71073","MoKα","","0.0454","0.0412","","","0.0852","0.0917","","","","","","1.19","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032733","10.804","0.0013","13.3524","0.0016","12.7899","0.0015","90","","97.497","0.002","90","","1829.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Mn N6 O4 Ru -","- C38 H34 Mn N6 O4 Ru -","- C76 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0431","0.0369","","","0.0984","0.1029","","","","","","1.061","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032734","10.8146","0.0015","13.3776","0.0018","12.808","0.0017","90","","97.643","0.002","90","","1836.5","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Mn N6 O4 Ru -","- C38 H34 Mn N6 O4 Ru -","- C76 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0817","0.0772","","","0.1856","0.1897","","","","","","1.065","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032773","16.0773","0.0006","32.033","0.002","23.3478","0.0009","90","","107.376","0.004","90","","11475.5","1","128","9","128","9","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C196 H94 Dy10 F88 N4 O54 -","- C196 H94 Dy10 F88 N4 O54 -","- C392 H188 Dy20 F176 N8 O108 -","2","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","pH-induced Dy4 and Dy10 cluster-based 1D chains with different magnetic relaxation features.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16838","16845","10.1039/c4dt02427c","","","0.71073","MoKα","","0.0515","0.0507","","","0.1216","0.1218","","","","","","1.024","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032814","9.6073","0.0002","13.5295","0.0003","10.0002","0.0002","90","","102.206","0.001","90","","1270.46","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl4 Ga P S -","- C24 H20 Cl4 Ga P S -","- C48 H40 Cl8 Ga2 P2 S2 -","2","1","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.0169","0.0161","","","0.04","0.0402","","","","","","1.057","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032817","9.6355","0.0004","13.5694","0.0005","10.0151","0.0004","90","","102.248","0.002","90","","1279.65","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl4 Ga P Se -","- C24 H20 Cl4 Ga P Se -","- C48 H40 Cl8 Ga2 P2 Se2 -","2","1","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.0502","0.0365","","","0.0761","0.0814","","","","","","1.038","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032853","9.056","0.001","7.533","0.001","12.17","0.001","90","","90.01","0.004","90","","830.22","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl Cu N3 O2 -","- C17 H16 Cl Cu N3 O2 -","- C34 H32 Cl2 Cu2 N6 O4 -","2","1","","Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa","Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1612","1626","10.1039/c4dt02731k","","x-ray","0.71073","MoKα","","0.0322","0.0297","","","0.0702","0.0713","","","","","","1.038","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032961","9.6223","0.0008","9.0222","0.0008","10.1966","0.0013","90","","100.638","0.006","90","","870","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H24 B9 Co -","- C10 H24 B9 Co -","- C20 H48 B18 Co2 -","2","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","1.54184","CuKα","","0.086","0.0592","","","0.1252","0.1503","","","","","","1.125","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032964","9.5232","0.0002","19.2392","0.0005","11.2114","0.0003","90","","112.862","0.001","90","","1892.77","0.08","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H33 B3 Co2 O11 Ru4 -","- C31 H33 B3 Co2 O11 Ru4 -","- C62 H66 B6 Co4 O22 Ru8 -","2","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","0.71073","MoKα","","0.0303","0.0259","","","0.0557","0.058","","","","","","1.022","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033063","8.8291","0.0004","20.5803","0.001","17.8396","0.0008","90","","94.187","0.001","90","","3232.9","0.3","173","","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H44 Ag Cl N4 O5 -","- C31 H42 Ag Cl N4 O5 -","- C124 H168 Ag4 Cl4 N16 O20 -","4","2","","Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1170","1177","10.1039/c4dt02954b","","","0.71073","MoKα","","0.0354","0.033","","","0.0899","0.0964","","","","","","1.076","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033074","13.7366","0.0007","11.945","0.0006","14.3878","0.0007","90","","108.08","0.001","90","","2244.24","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H52 N4 Ni2 O8 -","- C48 H52 N4 Ni2 O8 -","- C96 H104 N8 Ni4 O16 -","2","1","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.0414","0.0371","","","0.0899","0.0922","","","","","","1.043","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033145","8.9705","0.0002","13.1314","0.0005","12.961","0.0005","90","","92.088","0.002","90","","1525.73","0.09","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H22 Fe2 O6 S2 Si -","- C32 H22 Fe2 O6 S2 Si -","- C64 H44 Fe4 O12 S4 Si2 -","2","1","","Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang","A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1690","1699","10.1039/c4dt03223c","","","0.71073","MoKα","","0.0446","0.0328","","","0.0669","0.0714","","","","","","1.017","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033170","10.3062","0.0003","13.4581","0.0004","10.5966","0.0003","90","","96.145","0.002","90","","1461.32","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H10 In7 N3 Se12 -","- C2 H10 In7 N3 Se12 -","- C4 H20 In14 N6 Se24 -","2","1","","Ewing, S. J.; Vaqueiro, P.","Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1592","1600","10.1039/c4dt02819h","","","0.71073","MoKα","","0.0492","0.0358","","0.0547","0.0364","0.0344","","","","","","0.9972","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033172","8.4602","0.0017","18.321","0.004","16.881","0.004","90","","93.979","0.004","90","","2610.2","1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22.5 Ag N2.5 O3 S2 -","- C28 H22.5 Ag N2.5 O3 S2 -","- C112 H90 Ag4 N10 O12 S8 -","4","2","","Prakash, Om; Joshi, Hemant; Kumar, Umesh; Sharma, Alpesh K.; Singh, Ajai K.","Acridine based (S,N,S) pincer ligand: designing silver(I) complexes for the efficient activation of A³ (aldehyde, alkyne and amine) coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1962","1968","10.1039/c4dt02813a","","","0.71073","MoKα","","0.0543","0.0404","","","0.08","0.0845","","","","","","1.001","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7033182","10.6195","0.0003","25.6995","0.0007","14.7591","0.0004","90","","103.014","0.003","90","","3924.53","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Carbonato-[1,1,1-tris(pyrid-2-yl)ethane]copper(II) hydrate","","- C18 H23.5 Cu N3 O7.25 -","- C18 H23.5 Cu N3 O7.25 -","- C144 H188 Cu8 N24 O58 -","8","4","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","0.71073","MoKα","","0.0507","0.041","","","0.0794","0.0859","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033208","10.751","0.002","5.8887","0.0008","19.552","0.003","90","","103.361","0.009","90","","1204.3","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","","","0.1106","0.0648","","","0.1045","0.1236","","","","","","0.99","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033255","9.2892","0.0003","15.7009","0.0005","10.0808","0.0003","90","","114.068","0.002","90","","1342.45","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N5 O Zr -","- C29 H41 N5 O Zr -","- C58 H82 N10 O2 Zr2 -","2","1","","Alves, Luis G.; Madeira, Filipe; Munhá, Rui F; Barroso, Sónia; Veiros, Luis F.; Martins, Ana M.","Reactions of heteroallenes with cyclam-based Zr(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1441","1455","10.1039/c4dt02851a","","","0.71073","MoKα","","0.035","0.0287","","","0.0615","0.0635","","","","","","1.01","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033301","10.2345","0.0002","11.2429","0.0002","14.6064","0.0002","90","","94.104","0.001","90","","1676.38","0.05","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H39 Cl3 N3 Ni O16 S4 -","- C14 H39 Cl3 N3 Ni O16 S4 -","- C28 H78 Cl6 N6 Ni2 O32 S8 -","2","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","0.71073","MoKα","","0.0383","0.0363","","","0.0975","0.0998","","","","","","1.051","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033369","11.8045","0.0011","11.4224","0.001","13.8492","0.0012","90","","99.143","0.006","90","","1843.6","0.3","260","2","260","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(HTyrNO2)2(H2O)].2CH3OH","","","- C34 H40 Cu N4 O13 -","- C34 H40 Cu N4 O13 -","- C68 H80 Cu2 N8 O26 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Solvent effect on neutral chiral supramolecular assemblies and their distinct receptor behaviour towards anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1520","1525","10.1039/c4dt02778g","","","0.71073","MoKα","","0.066","0.0469","","","0.1044","0.1157","","","","","","1.019","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033551","10.6682","0.0003","13.0871","0.0005","10.8509","0.0004","90","","96.579","0.003","90","","1504.98","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H43 N Ni O P2 -","- C32 H43 N Ni O P2 -","- C64 H86 N2 Ni2 O2 P4 -","2","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0609","0.0507","","","0.1002","0.1068","","","","","","1.093","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033553","9.2432","0.0004","15.3651","0.0005","9.4633","0.0006","90","","103.045","0.003","90","","1309.32","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H40 Ni O2 P2 -","- C27 H40 Ni O2 P2 -","- C54 H80 Ni2 O4 P4 -","2","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0806","0.0626","","","0.1196","0.1323","","","","","","1.161","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033560","12.324","0.0004","10.065","0.0003","15.265","0.0005","90","","92.552","0.002","90","","1891.61","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H50 Cl2 Cu2 N14 O10 -","- C27 H50 Cl2 Cu2 N14 O10 -","- C54 H100 Cl4 Cu4 N28 O20 -","2","1","","Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique","""3 + 1 = 6 + 2"" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3378","3383","10.1039/c4dt03650f","","","0.71073","MoKα","","0.0731","0.0479","","","0.1043","0.1193","","","","","","1.05","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033582","5.9895","0.0004","14.7978","0.0008","17.8142","0.0014","90","","96.481","0.006","90","","1568.81","0.18","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","2","","Kar, Chirantan; Samanta, Soham; Goswami, Sudeep; Ramesh, Aiyagari; Das, Gopal","A single probe to sense Al(iii) colorimetrically and Cd(ii) by turn-on fluorescence in physiological conditions and live cells, corroborated by X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4123","4132","10.1039/c4dt01433b","","","0.71073","MoKα","","0.1564","0.0776","","","0.2489","0.318","","","","","","0.932","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033623","12.0742","0.0011","13.3231","0.0012","17.7935","0.0016","90","","108.128","0.001","90","","2720.3","0.4","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","14145a","[Et4N][W(CO)3{6-(PhBP3)W(CO)3}]","","- C59 H61 B N O6 P3 W2 -","- C59 H61 B N O6 P3 W2 -","- C118 H122 B2 N2 O12 P6 W4 -","2","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.039","0.0323","","","0.0657","0.0685","","","","","","1.04","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033626","13.9914","0.0017","22.205","0.003","18.059","0.002","90","","91.07","0.001","90","","5609.6","1.2","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","14161a","[Et4N][Cr(CO)3{6-(PhBP3)Cr(CO)3}]","","- C61 H66 B Cr2 N O6.5 P3 -","- C61 H66 B Cr2 N O6.5 P3 -","- C244 H264 B4 Cr8 N4 O26 P12 -","4","2","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0345","0.0307","","","0.0759","0.0781","","","","","","1.021","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7033628","14.1281","0.0019","23.778","0.003","17.324","0.002","90","","90.66","0.002","90","","5819.4","1.3","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","14169d","[Et4N][W(CO)3{6-(PhBP3)W(CO)3}]","","- C59 H61 B Cr N O6 P3 W -","- C59 H61 B Cr N O6 P3 W -","- C236 H244 B4 Cr4 N4 O24 P12 W4 -","4","2","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0389","0.035","","","0.0834","0.0853","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7033645","11.6966","0.0007","10.4541","0.0004","19.4795","0.0015","90","","93.697","0.006","90","","2376.9","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl10 N4 O6 Re2 -","- C38 H38 Cl10 N4 O6 Re2 -","- C76 H76 Cl20 N8 O12 Re4 -","2","1","","Li, Xi-Li; Zhang, Zhiqiang; Zhang, Xue-Li; Kang, Jia-Long; Wang, Ai-Ling; Zhou, Liming; Fang, Shaoming","A pair of dinuclear Re(i) enantiomers: synthesis, crystal structures, chiroptical and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4180","4185","10.1039/c4dt03884c","","","0.71073","MoKα","","0.0907","0.0725","","","0.1754","0.1888","","","","","","1.069","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033646","11.6986","0.0003","10.4365","0.0003","19.3757","0.0006","90","","93.659","0.003","90","","2360.8","0.12","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl10 N4 O6 Re2 -","- C38 H38 Cl10 N4 O6 Re2 -","- C76 H76 Cl20 N8 O12 Re4 -","2","1","","Li, Xi-Li; Zhang, Zhiqiang; Zhang, Xue-Li; Kang, Jia-Long; Wang, Ai-Ling; Zhou, Liming; Fang, Shaoming","A pair of dinuclear Re(i) enantiomers: synthesis, crystal structures, chiroptical and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4180","4185","10.1039/c4dt03884c","","","0.71073","MoKα","","0.064","0.0522","","","0.1281","0.1355","","","","","","1.029","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033654","10.059","0.003","10.151","0.003","14.423","0.005","90","","105.43","0.004","90","","1419.6","0.8","133","","133","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N2 O4 P S -","- C29 H29 Fe2 N2 O4 P S -","- C58 H58 Fe4 N4 O8 P2 S2 -","2","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0306","0.0243","","","0.0478","0.0491","","","","","","0.934","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033666","8.4416","0.0018","17.82","0.004","9.883","0.002","90","","91.51","0.003","90","","1486.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H23 Au2 Cl2 N O2 P2 -","- C31 H23 Au2 Cl2 N O2 P2 -","- C62 H46 Au4 Cl4 N2 O4 P4 -","2","1","","Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4167","4179","10.1039/c4dt03960b","","","0.71073","MoKα","","0.0212","0.0202","","","0.0436","0.0438","","","","","","0.922","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033765","9.912","0.002","17.585","0.004","13.398","0.003","90","","110.178","0.003","90","","2192","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H32 Cl2 N4 Zr -","- C18 H32 Cl2 N4 Zr -","- C72 H128 Cl8 N16 Zr4 -","4","2","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0272","0.0249","","","0.0583","0.0595","","","","","","1.041","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033777","10.558","0.002","23.182","0.005","22.678","0.005","90","","90.44","0.03","90","","5550","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl2 N9 Zn -","- C24 H33 Cl2 N9 Zn -","- C192 H264 Cl16 N72 Zn8 -","8","4","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.05","0.0388","","","0.0938","0.1013","","","","","","1.035","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033812","19.5092","0.0004","14.9489","0.0002","22.5356","0.0004","90","","98.24","0.002","90","","6504.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H149 Fe2 Mn4 N25 O20 -","- C136 H140 Fe2 Mn4 N25 O20 -","- C272 H280 Fe4 Mn8 N50 O40 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.0475","0.0399","","","0.0963","0.1005","","","","","","1.025","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033813","19.5297","0.0005","14.9492","0.0004","22.5824","0.0005","90","","98.188","0.002","90","","6525.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H149 Fe2 Mn4 N25 O20 -","- C136 H140 Fe2 Mn4 N25 O20 -","- C272 H280 Fe4 Mn8 N50 O40 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.0853","0.0614","","","0.1322","0.1459","","","","","","1.015","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033833","8.6329","0.0002","32.1721","0.0008","12.9756","0.0003","90","","105.072","0.002","90","","3479.85","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H86 B O7 P3 -","- C76 H86 B O7 P3 -","- C152 H172 B2 O14 P6 -","2","1","","Kwak, Jaewoo; Van Nghia, Nguyen; Lee, Junseong; Kim, Hyoseok; Park, Myung Hwan; Lee, Min Hyung","Lewis acidity enhancement of triarylborane by appended phosphine oxide groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4765","4772","10.1039/c5dt00042d","","","0.71073","MoKα","","0.0937","0.0727","","","0.1647","0.1742","","","","","","1.026","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033876","10.1352","0.0007","15.3564","0.0013","10.6736","0.0008","90","","109.06","0.003","90","","1570.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 Dy N8 O17 -","- C23 H29 Dy N8 O17 -","- C46 H58 Dy2 N16 O34 -","2","1","","Mondal, Amit Kumar; Goswami, Soumyabrata; Konar, Sanjit","Influence of the coordination environment on slow magnetic relaxation and photoluminescence behavior in two mononuclear dysprosium(iii) based single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5086","5094","10.1039/c4dt03620d","","","0.71073","MoKα","","0.0236","0.0213","","","0.0406","0.0411","","","","","","1.326","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033891","12.7195","0.0019","9.7533","0.0014","14.17","0.002","90","","115.087","0.009","90","","1592.1","0.4","260","2","260","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(HTyrbenz)2].CH3OH.H2O","","","- C33 H38 Cu N2 O8 -","- C33 H38 Cu N2 O8 -","- C66 H76 Cu2 N4 O16 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.0507","0.0378","","","0.0762","0.0831","","","","","","0.936","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033893","10.2891","0.001","9.0692","0.0009","14.9871","0.0017","90","","91.668","0.007","90","","1397.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(HTyrthio)2].H2O","","","- C28 H30 Cu N2 O7 S2 -","- C28 H30 Cu N2 O7 S2 -","- C56 H60 Cu2 N4 O14 S4 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.0582","0.0411","","","0.0776","0.0858","","","","","","0.941","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033895","10.635","0.002","7.9884","0.0015","23.468","0.004","90","","94.13","0.003","90","","1988.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu(HSerthio)2(H2O)]","","","- C16 H22 Cu N2 O7 S2 -","- C16 H22 Cu N2 O7 S2 -","- C64 H88 Cu4 N8 O28 S8 -","4","2","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.1118","0.059","","","0.1251","0.149","","","","","","1.002","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033926","16.8896","0.0005","17.5155","0.0005","25.1035","0.0009","90","","92.938","0.003","90","","7416.6","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C109 H98 Cu2 F60 Gd2 N20 O24 -","- C109 H98 Cu2 F60 Gd2 N20 O24 -","- C218 H196 Cu4 F120 Gd4 N40 O48 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Shi, Wei; Cheng, Peng; Tang, Jinkui","Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5364","5368","10.1039/c4dt03354j","","","0.71073","MoKα","","0.082","0.0654","","","0.1536","0.1713","","","","","","1.034","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033927","16.7525","0.0003","17.554","0.0003","24.9087","0.0005","90","","92.524","0.002","90","","7317.9","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C109 H98 Cu2 F60 N20 O24 Tb2 -","- C109 H98 Cu2 F60 N20 O24 Tb2 -","- C218 H196 Cu4 F120 N40 O48 Tb4 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Shi, Wei; Cheng, Peng; Tang, Jinkui","Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5364","5368","10.1039/c4dt03354j","","","0.71073","MoKα","","0.0533","0.0454","","","0.0894","0.0953","","","","","","1.034","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033928","16.9627","0.0004","17.4217","0.0003","25.2082","0.0006","90","","92.59","0.002","90","","7441.9","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C109 H98 Cu2 Dy2 F60 N20 O24 -","- C109 H98 Cu2 Dy2 F60 N20 O24 -","- C218 H196 Cu4 Dy4 F120 N40 O48 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Shi, Wei; Cheng, Peng; Tang, Jinkui","Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5364","5368","10.1039/c4dt03354j","","","0.71073","MoKα","","0.077","0.0618","","","0.1449","0.1585","","","","","","1.018","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033986","15.8715","0.0005","26.8064","0.0008","17.2847","0.0005","90","","103.577","0.003","90","","7148.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C145 H221 Mg4 N4 O15 -","- C145 H221 Mg4 N4 O15 -","- C290 H442 Mg8 N8 O30 -","2","1","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","1.54184","CuKα","","0.0819","0.0746","","","0.1917","0.203","","","","","","1.038","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033987","15.9337","0.0007","26.4951","0.001","16.9088","0.0005","90","","99.435","0.004","90","","7041.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C115 H179 Mg4 N5 O16 -","- C115 H179 Mg4 N5 O16 -","- C230 H358 Mg8 N10 O32 -","2","1","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","1.54184","CuKα","","0.1011","0.0891","","","0.2384","0.2587","","","","","","1.008","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034010","11.7409","0.0015","5.3998","0.001","13.192","0.002","90","","93.737","0.014","90","","834.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Hg O2 S2 -","- C17 H16 Hg O2 S2 -","- C34 H32 Hg2 O4 S4 -","2","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Influence of the ligand frameworks on the coordination environment and properties of new phenylmercury(ii) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5909","5916","10.1039/c4dt03816a","","","0.71073","MoKα","","0.1019","0.0722","","","0.1598","0.1729","","","","","","0.958","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034076","9.3835","0.0001","12.8596","0.0003","16.6196","0.0003","90","","99.1807","0.0012","90","","1979.77","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 B Cl N3 O -","- C19 H27 B Cl N3 O -","- C76 H108 B4 Cl4 N12 O4 -","4","2","","Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.","Intramolecular N-coordination in ketiminoboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5284","5287","10.1039/c5dt00196j","","","0.71073","MoKα","","0.0633","0.0454","","","0.0973","0.1058","","","","","","1.041","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034139","7.778","0.0006","10.1928","0.0007","9.3394","0.0007","90","","112.947","0.001","90","","681.83","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H19 B9 S2 -","- C5 H19 B9 S2 -","- C10 H38 B18 S4 -","2","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0441","0.0343","","","0.082","0.0891","","","","","","1.062","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034270","10.1555","0.0002","14.5701","0.0003","14.7592","0.0003","90","","92.645","0.002","90","","2181.54","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H41 B Cu F4 N3 O P2 -","- C51 H41 B Cu F4 N3 O P2 -","- C102 H82 B2 Cu2 F8 N6 O2 P4 -","2","1","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","1.54178","CuKα","","0.0244","0.0242","","","0.0731","0.0736","","","","","","1.002","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034309","11.174","0.0003","7.2448","0.0002","22.0107","0.0006","90","","92.12","0.001","90","","1780.62","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(4-Nitrophenyl)-N'-[2-methyl-ferrocenemethyl]-urea","","- C19 H20 Fe N3 O3.5 -","- C19 H20 Fe N3 O3.5 -","- C76 H80 Fe4 N12 O14 -","4","2","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0555","0.0434","","","0.088","0.0933","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034310","11.1747","0.0005","7.2439","0.0003","22.0137","0.0011","90","","92.116","0.002","90","","1780.76","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-N-(4-nitrophenyl)-N'-[2-methyl-ferrocenemethyl]-urea","","- C19 H20 Fe N3 O3.5 -","- C19 H20 Fe N3 O3.5 -","- C76 H80 Fe4 N12 O14 -","4","2","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0863","0.0542","","","0.0998","0.1118","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034350","9.906","0.0012","14.551","0.0013","17.7804","0.0017","90","","96.405","0.011","90","","2546.9","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H98 Li2 Mg2 N4 -","- C44 H98 Li2 Mg2 N4 -","- C88 H196 Li4 Mg4 N8 -","2","1","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","0.71073","MoKα","","0.1355","0.0714","","","0.1625","0.1895","","","","","","0.94","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034372","10.7773","0.0019","22.095","0.004","18.481","0.004","90","","93.295","0.004","90","","4393.5","1.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H57 B9 N3 O3 Y -","- C30 H57 B9 N3 O3 Y -","- C120 H228 B36 N12 O12 Y4 -","4","2","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.1194","0.0822","","","0.1912","0.2101","","","","","","0.975","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034399","14.3466","0.0019","10.7143","0.0012","21.144","0.003","90","","100.195","0.004","90","","3198.8","0.7","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Fe N6 O2.5 -","- C33 H37 Fe N6 O2.5 -","- C132 H148 Fe4 N24 O10 -","4","2","","Wang, Qiang; Venneri, Shari; Zarrabi, Niloofar; Wang, Hongfeng; Desplanches, Cédric; Létard, Jean-François; Seda, Takele; Pilkington, Melanie","Stereochemistry for engineering spin crossover: structures and magnetic properties of a homochiral vs. racemic [Fe(N3O2)(CN)2] complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6711","6714","10.1039/c5dt00357a","","","0.71073","MoKα","","0.11","0.0761","","","0.1557","0.1758","","","","","","1.099","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7034400","14.131","0.0016","10.5819","0.001","20.876","0.002","90","","99.233","0.004","90","","3081.2","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Fe N6 O2.5 -","- C33 H37 Fe N6 O2.5 -","- C132 H148 Fe4 N24 O10 -","4","2","","Wang, Qiang; Venneri, Shari; Zarrabi, Niloofar; Wang, Hongfeng; Desplanches, Cédric; Létard, Jean-François; Seda, Takele; Pilkington, Melanie","Stereochemistry for engineering spin crossover: structures and magnetic properties of a homochiral vs. racemic [Fe(N3O2)(CN)2] complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6711","6714","10.1039/c5dt00357a","","","0.71073","MoKα","","0.1229","0.0686","","","0.155","0.196","","","","","","1.031","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7034470","11.8077","0.0014","7.1276","0.0008","14.7721","0.0018","90","","95.585","0.002","90","","1237.3","0.3","101","2","101","2","","","","","","","","6","P 1 21 1","P 2yb","4","[TPP][FDNTz]","","","- C26 H20 F N6 O4 P -","- C26 H20 F N6 O4 P -","- C52 H40 F2 N12 O8 P2 -","2","1","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.066","0.0435","","","0.0916","0.1005","","","","","","1.023","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034504","19.4682","0.0007","12.6977","0.0005","22.4521","0.0009","90","","90.201","0.002","90","","5550.2","0.4","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C29 H48 Si Ti -","- C29 H48 Si Ti -","- C232 H384 Si8 Ti8 -","8","4","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7276","7291","10.1039/c5dt00351b","","","0.71073","MoKα","","0.0662","0.042","","","0.0868","0.0974","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7034541","13.5126","0.0005","14.7246","0.0004","25.4056","0.0007","90","","95.567","0.003","90","","5031.1","0.3","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H90 N6 Ni O4 -","- C48 H90 N6 Ni O4 -","- C192 H360 N24 Ni4 O16 -","4","2","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","1.54184","CuKα","","0.1361","0.0991","","","0.2531","0.2794","","","","","","0.961","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034660","10.0719","0.0009","25.822","0.003","11.7857","0.0011","90","","102.538","0.003","90","","2992.1","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H28 Br Cl Ir N2 P S -","- C33 H28 Br Cl Ir N2 P S -","- C132 H112 Br4 Cl4 Ir4 N8 P4 S4 -","4","2","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0763","0.06","","","0.1381","0.1451","","","","","","1.074","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034747","15.178","0.0002","12.9818","0.0002","25.0542","0.0005","90","","92.7","0.001","90","","4931.14","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H70 Li2 N2 O4 -","- C51 H70 Li2 N2 O4 -","- C204 H280 Li8 N8 O16 -","4","2","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.","Bismuth-lithium bonding in the ion pairs: LiBiL2, where L = a porphyrin or a salen ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8205","8213","10.1039/c5dt00256g","","x-ray","0.71073","MoKα","","0.1153","0.0807","","","0.2179","0.2449","","","","","","1.039","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034775","10.0169","0.0005","10.7935","0.0006","13.1689","0.0007","90","","99.688","0.001","90","","1403.48","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H46 N2 Sn -","- C29 H46 N2 Sn -","- C58 H92 N4 Sn2 -","2","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0481","0.0379","","","0.0792","0.0827","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034826","12.8073","0.0007","9.1629","0.0005","24.3229","0.0013","90","","97.803","0.001","90","","2827.9","0.3","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 Cu N6 O13 Sm -","- C24 H27 Cu N6 O13 Sm -","- C96 H108 Cu4 N24 O52 Sm4 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0311","0.0258","","","0.0518","0.0536","","","","","","1.044","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034829","11.2871","0.0018","15.301","0.002","15.918","0.003","90","","105.682","0.005","90","","2646.8","0.7","296","2","296.16","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Gd N5 O13 -","- C22 H24 Cu Gd N5 O13 -","- C88 H96 Cu4 Gd4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0969","0.0642","","","0.1247","0.1442","","","","","","1.1","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034832","11.2823","0.0006","15.2642","0.0008","15.8767","0.0009","90","","105.352","0.003","90","","2636.6","0.3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu N5 O13 Tb -","- C22 H24 Cu N5 O13 Tb -","- C88 H96 Cu4 N20 O52 Tb4 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0655","0.0622","","","0.1547","0.1574","","","","","","1.029","","","","has coordinates,has disorder","143584","2020-10-21","18:00:00",""
"7034833","11.2976","0.0006","15.2584","0.0008","15.8897","0.0007","90","","105.251","0.003","90","","2642.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Dy N5 O13 -","- C22 H24 Cu Dy N5 O13 -","- C88 H96 Cu4 Dy4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0751","0.0417","","","0.0599","0.0683","","","","","","0.977","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034834","11.2841","0.0002","15.2285","0.0002","15.87","0.0002","90","","105.007","0.001","90","","2634.09","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Ho N5 O13 -","- C22 H24 Cu Ho N5 O13 -","- C88 H96 Cu4 Ho4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0482","0.0336","","","0.0482","0.0517","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034835","11.285","0.0001","15.1767","0.0001","15.8584","0.0001","90","","104.65","","90","","2627.75","0.03","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Er N5 O13 -","- C22 H24 Cu Er N5 O13 -","- C88 H96 Cu4 Er4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0366","0.0278","","","0.0486","0.051","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034836","11.2822","0.0008","15.1434","0.0011","15.8487","0.0011","90","","104.475","0.001","90","","2621.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu N5 O13 Yb -","- C22 H24 Cu N5 O13 Yb -","- C88 H96 Cu4 N20 O52 Yb4 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0274","0.0256","","","0.0578","0.0584","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034866","9.0006","0.0002","13.4769","0.0002","14.1223","0.0002","90","","99.137","0.002","90","","1691.3","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H43 F3 N2 O3 S Si -","- C33 H43 F3 N2 O3 S Si -","- C66 H86 F6 N4 O6 S2 Si2 -","2","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0298","0.0294","","","0.0768","0.0773","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034907","11.785","0.002","21.887","0.004","12.845","0.002","90","","117.128","0.0019","90","","2948.7","0.9","98","2","98","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H45 Cl8 F4 Fe N4 S Si -","- C55 H45 Cl8 F4 Fe N4 S Si -","- C110 H90 Cl16 F8 Fe2 N8 S2 Si2 -","2","1","","Meininger, Daniel J.; Muzquiz, Nicanor; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, characterization, and atropisomerism of iron complexes containing the tetrakis(2-chloro-6-fluorophenyl)porphyrinate ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9486","9495","10.1039/c5dt01122a","","","0.71073","MoKα","","0.0722","0.0685","","","0.152","0.1545","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034956","8.15073","0.00017","23.7055","0.0006","8.4853","0.0002","90","","100.062","0.002","90","","1614.29","0.07","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H46 N3 O7 P2 Rh -","- C25 H46 N3 O7 P2 Rh -","- C50 H92 N6 O14 P4 Rh2 -","2","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","1.54184","CuKα","","0.0519","0.0464","","","0.11","0.1157","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035056","10.217","0.003","6.9781","0.0019","10.816","0.003","90","","101.873","0.003","90","","754.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br P -","- C19 H16 Br P -","- C38 H32 Br2 P2 -","2","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0482","0.0391","","","0.0852","0.0888","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035126","8.0185","0.0015","6.6193","0.0012","11.511","0.002","90","","97.137","0.002","90","","606.23","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H9 Cl5 Mo N O2 -","- C5 H9 Cl5 Mo N O2 -","- C10 H18 Cl10 Mo2 N2 O4 -","2","1","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","MoCl5 as an effective chlorinating agent towards α-amino acids: synthesis of α-ammonium-acylchloride salts and α-amino-acylchloride complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10030","10037","10.1039/c5dt01002k","","","0.71073","MoKα","","0.0588","0.0424","","","0.0728","0.0785","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035140","11.6864","0.0004","29.2257","0.0009","13.0996","0.0004","90","","108.859","0.0017","90","","4233.9","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H48 Fe2 N14 S22 -","- C78 H48 Fe2 N14 S22 -","- C156 H96 Fe4 N28 S44 -","2","1","","Dinsdale, D. R.; Lough, A. J.; Lemaire, M. T.","Structure and magnetic properties of an unusual homoleptic iron(iii) thiocyanate dimer.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11077","11082","10.1039/c5dt00743g","","","1.54178","CuKα","","0.052","0.0471","","","0.1062","0.1095","","","","","","1.028","","","","has coordinates,has disorder","143594","2020-10-21","18:00:00",""
"7035148","17.9204","0.0003","19.8114","0.0003","36.8133","0.0005","90","","90.0457","0.0006","90","","13069.8","0.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C185 H359 N17 O100 Si2 Ti4 W20 -","- C185 H359 N17 O100 Si2 Ti4 W20 -","- C370 H718 N34 O200 Si4 Ti8 W40 -","2","1","","Ishimoto, Ryo; Kamata, Keigo; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and structural characterization of BINOL-modified chiral polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10947","10951","10.1039/c5dt01338k","","","0.71069","MoKα","","0.0619","0.0546","","","0.1455","0.1539","","","","","","1.081","","","","has coordinates,has disorder","143608","2020-10-21","18:00:00",""
"7035149","17.861","0.0002","19.7487","0.0002","36.5801","0.0004","90","","90.0149","0.0004","90","","12903","0.2","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H181 N9 O51 Si Ti2 W10 -","- C93 H181 N9 O51 Si Ti2 W10 -","- C372 H724 N36 O204 Si4 Ti8 W40 -","4","2","","Ishimoto, Ryo; Kamata, Keigo; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and structural characterization of BINOL-modified chiral polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10947","10951","10.1039/c5dt01338k","","","0.71069","MoKα","","0.0685","0.06","","","0.1527","0.1665","","","","","","1.051","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7035336","11.19024","0.00019","32.5907","0.0006","14.5892","0.0003","90","","108.499","0.002","90","","5045.73","0.17","199.95","0.1","199.95","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(Bu4N)[Mo3S7Br4(bpy).Br]","","- C30 H30.5 Br5 Cl Mo3 N3 S7 -","- C30 H30.5 Br5 Cl Mo3 N3 S7 -","- C120 H122 Br20 Cl4 Mo12 N12 S28 -","4","2","","Recatalá, David; Llusar, Rosa; Barlow, Adam; Wang, Genmiao; Samoc, Marek; Humphrey, Mark G.; Guschin, Artem L.","Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13163","13172","10.1039/c5dt01244a","","","0.71073","MoKα","","0.047","0.0429","","","0.1224","0.1255","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035343","16.548","0.002","13.8013","0.0018","21.631","0.003","90","","104.605","0.002","90","","4780.5","1.1","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Fe Mo18 N12 O77 P6 Sr -","- C36 H68 Fe Mo18 N12 O77 P6 Sr -","- C72 H136 Fe2 Mo36 N24 O154 P12 Sr2 -","2","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0342","0.031","","","0.0727","0.0783","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035344","16.69","0.004","13.887","0.003","21.799","0.005","90","","104.659","0.004","90","","4888","1.9","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Co Mo18 N12 O77 P6 Sr -","- C36 H68 Co Mo18 N12 O77 P6 Sr -","- C72 H136 Co2 Mo36 N24 O154 P12 Sr2 -","2","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0504","0.0387","","","0.091","0.1022","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035345","16.6067","0.001","13.7398","0.0008","21.5749","0.0013","90","","104.718","0.001","90","","4761.3","0.5","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Mo18 N12 Ni O77 P6 Sr -","- C36 H68 Mo18 N12 Ni O77 P6 Sr -","- C72 H136 Mo36 N24 Ni2 O154 P12 Sr2 -","2","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0321","0.0288","","","0.0721","0.0801","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035379","8.7202","0.0002","14.6163","0.0003","13.0992","0.0003","90","","93.324","0.002","90","","1666.78","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Ca Cl2 Mn N4 O11.5 -","- C24 H37.342 Ca Cl2 Mn N4 O11.514 -","- C48 H74.684 Ca2 Cl4 Mn2 N8 O23.028 -","2","1","","Gerey, Bertrand; Gennari, Marcello; Gouré, Eric; Pécaut, Jacques; Blackman, Allan; Pantazis, Dimitrios A.; Neese, Frank; Molton, Florian; Fortage, Jérôme; Duboc, Carole; Collomb, Marie-Noëlle","Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12757","12770","10.1039/c5dt01776a","","","0.71073","MoKα","","0.0701","0.0511","","","0.0775","0.0848","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035417","9.4904","0.0009","10.327","0.0009","25.295","0.002","90","","98.334","0.003","90","","2452.9","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H59 Cl2 Fe N3 O5 P2 -","- C48 H59 Cl2 Fe N3 O5 P2 -","- C96 H118 Cl4 Fe2 N6 O10 P4 -","2","1","","Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl","Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13071","13086","10.1039/c5dt00832h","","x-ray","0.71073","MoKα","","0.0529","0.0441","","","0.0471","0.0479","","","","1.96","1.96","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035419","10.418","0.0003","10.3333","0.0003","12.9878","0.0004","90","","90.739","0.001","90","","1398.05","0.07","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","3,3-dichloro-2,4,6,7-tetrakis(trimethylsilyl)-2,4,6,7-tetraaza-1,5-diphospha-3-silabicyclo[3.1.1]heptane","3,3-dichloro-2,4,6,7-tetrakis(trimethylsilyl)-2,4,6,7-tetraaza-1,5-diphospha-3-silabicyclo[3.1.1]heptane","","- C12 H36 Cl2 N4 P2 Si5 -","- C12 H36 Cl2 N4 P2 Si5 -","- C24 H72 Cl4 N8 P4 Si10 -","2","1","","Holthausen, M. H.; Weigand, J. J.","Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1953","1961","10.1039/c5dt01512j","","","0.71073","MoKα","","0.0279","0.0267","","","0.0677","0.0687","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035653","9.0527","0.0005","20.258","0.0008","10.3391","0.0005","90","","96.115","0.004","90","","1885.29","0.16","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu Dy Mo N11 O10 -","- C29 H29 Cu Dy Mo N11 O10 -","- C58 H58 Cu2 Dy2 Mo2 N22 O20 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0378","0.0316","","","0.0652","0.0666","","","","","","0.977","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035654","9.2526","0.0005","20.3849","0.0011","10.4325","0.0005","90","","96.692","0.004","90","","1954.3","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu La N11 O10 W -","- C29 H23 Cu La N11 O10 W -","- C58 H46 Cu2 La2 N22 O20 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0945","0.0678","","","0.1569","0.1694","","","","","","0.99","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035655","9.1369","0.0003","20.3271","0.0009","10.3756","0.0003","90","","96.597","0.003","90","","1914.27","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu Gd N11 O10 W -","- C29 H23 Cu Gd N11 O10 W -","- C58 H46 Cu2 Gd2 N22 O20 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0375","0.0318","","","0.0712","0.0727","","","","","","1","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035656","9.1488","0.0018","20.356","0.004","10.386","0.002","90","","96.69","0.03","90","","1921","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu N11 O10 Tb W -","- C29 H23 Cu N11 O10 Tb W -","- C58 H46 Cu2 N22 O20 Tb2 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.067","0.0444","","","0.0754","0.0806","","","","","","0.889","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035657","9.137","0.0009","20.3334","0.0014","10.3859","0.001","90","","96.566","0.008","90","","1916.9","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu Dy N11 O10 W -","- C29 H23 Cu Dy N11 O10 W -","- C58 H46 Cu2 Dy2 N22 O20 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.1239","0.0491","","","0.0703","0.0909","","","","","","0.695","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035728","15.5716","0.0006","18.7124","0.0007","20.0292","0.0007","90","","101.267","0.002","90","","5723.7","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N4 O14 Zn -","- C24 H16 N4 O14 Zn -","- C192 H128 N32 O112 Zn8 -","8","4","","Shankar, Krapa; Kirillov, Alexander M.; Baruah, Jubaraj B.","A modular approach for molecular recognition by zinc dipicolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14411","14423","10.1039/c5dt00652j","","","0.71073","MoKα","","0.0964","0.0709","","","0.1934","0.2187","","","","","","1.048","","","","has coordinates","153235","2020-10-21","18:00:00",""
"7035740","6.0848","0.0002","25.2704","0.001","10.5635","0.0004","90","","105.602","0.002","90","","1564.45","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H45 Dy O24 -","- C21 H45 Dy O24 -","- C42 H90 Dy2 O48 -","2","1","","Han, Tian; Leng, Ji-Dong; Ding, You-Song; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Field and dilution effects on the magnetic relaxation behaviours of a 1D dysprosium(iii)-carboxylate chain built from chiral ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13480","13484","10.1039/c4dt03980g","","","1.54178","CuKα","","0.0225","0.0218","","","0.0465","0.0467","","","","","","0.926","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035741","6.0796","0.0002","25.2483","0.0007","10.5544","0.0003","90","","105.674","0.001","90","","1559.85","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H90 Dy O48 Y -","- C42 H90 Dy O48 Y -","- C42 H90 Dy O48 Y -","1","0.5","","Han, Tian; Leng, Ji-Dong; Ding, You-Song; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Field and dilution effects on the magnetic relaxation behaviours of a 1D dysprosium(iii)-carboxylate chain built from chiral ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13480","13484","10.1039/c4dt03980g","","","0.71073","MoKα","","0.0144","0.0142","","","0.0361","0.0362","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035843","9.6688","0.0004","22.2994","0.0008","9.898","0.0004","90","","114.542","0.001","90","","1941.29","0.13","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H48 Fe I N P2 Si2 -","- C39 H48 Fe I N P2 Si2 -","- C78 H96 Fe2 I2 N2 P4 Si4 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0225","0.0219","","","0.0519","0.0521","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035884","14.7168","0.0003","11.1897","0.0003","24.0049","0.0005","90","","93.777","0.001","90","","3944.46","0.16","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C19 H24 F12 N8 P2 Pd -","- C19 H24 F12 N8 P2 Pd -","- C114 H144 F72 N48 P12 Pd6 -","6","3","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0515","0.0437","","","0.078","0.0805","","","","","","1.141","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035923","8.5767","0.0006","18.5068","0.0014","11.4751","0.001","90","","92.692","0.007","90","","1819.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H52 N3 P -","- C43 H52 N3 P -","- C86 H104 N6 P2 -","2","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.0528","0.0414","","","0.0876","0.0949","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035988","8.196","0.005","8.334","0.005","11.144","0.005","90","","92.054","","90","","760.7","0.7","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 O2 P S -","- C16 H21 O2 P S -","- C32 H42 O4 P2 S2 -","2","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0307","0.0273","","","0.0624","0.064","","","","","","1.041","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7036005","8.2299","0.0002","16.7796","0.0003","9.6743","0.0002","90","","103.954","0.001","90","","1296.54","0.05","123","","123","","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C22 H39 Cl2 N2 O P Pd -","- C22 H39 Cl2 N2 O P Pd -","- C44 H78 Cl4 N4 O2 P2 Pd2 -","2","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0171","0.0166","","0.017","0.0169","0.0169","","","","","","1.1025","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036058","5.9083","0.0015","8.824","0.002","18.775","0.005","90","","96.643","0.018","90","","972.3","0.4","100","2","99.65","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C52 H38 N6 O2 -","2","1","","Grau, Jordi; Brissos, Rosa F.; Salinas-Uber, Jorge; Caballero, Ana B.; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick","The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16061","16072","10.1039/c5dt02211h","","","0.71073","MoKα","","0.1215","0.0963","","","0.2477","0.2762","","","","","","1.125","","","","has coordinates","161515","2020-10-21","18:00:00",""
"7036107","16.815","0.005","11.822","0.003","22.655","0.012","90","","111.57","0.05","90","","4188","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2,2'-bipyridyl) bis[1-methyl-3-(2-pyridyl)pyridin-4-yl-ium-C4,N?]iridium(III) tris(hexafluorophosphate) bis(acetonitrile) solvate","","- C36 H34 F18 Ir N8 P3 -","- C36 H34 F18 Ir N8 P3 -","- C144 H136 F72 Ir4 N32 P12 -","4","2","","Coe, Benjamin J.; Helliwell, Madeleine; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Water-soluble Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: fluorine-free blue emitters.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15420","15423","10.1039/c5dt02591e","","","0.71073","MoKα","","0.1112","0.0641","","","0.1346","0.1641","","","","","","0.993","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7036120","17.538","0.0005","6.948","0.0002","19.147","0.0006","90","","101.684","0.0012","90","","2284.79","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H13 N4 Nd O16 -","- C16 H13 N4 Nd O16 -","- C64 H52 N16 Nd4 O64 -","4","2","","Jassal, Amanpreet Kaur; Aliaga-Alcalde, Núria; Corbella, Montserrat; Aravena, Daniel; Ruiz, Eliseo; Hundal, Geeta","Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15774","15778","10.1039/c5dt02533h","","","0.71073","MoKα","","0.0255","0.0233","","","0.0575","0.0594","","","","","","0.702","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036143","12.18","0.004","9.051","0.003","15.766","0.004","90","","110.68","0.03","90","","1626.1","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H51 N9 -","- C36 H51 N9 -","- C72 H102 N18 -","2","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","1.5418","CuKα","","0.0986","0.052","","","0.0742","0.083","","","","","","0.849","","","","has coordinates","161528","2020-10-21","18:00:00",""
"7036178","7.7881","0.0014","28.597","0.005","13.292","0.002","90","","101.79","0.005","90","","2897.9","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H64 N2 O14 Si2 W2 -","- C52 H64 N2 O14 Si2 W2 -","- C104 H128 N4 O28 Si4 W4 -","2","1","","Yorsaeng, Sakkawet; Tsutsumi, Ken; Kitiyanan, Boonyarach; Nomura, Kotohiro","Synthesis and structural analysis of tungsten-carbonyl dimers bridged with oligo(2,5-dialkoxy-1,4-phenylene vinylene)s through pyridine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16728","16736","10.1039/c5dt02726h","","","0.71075","MoKα","","0.0391","0.0362","","","0.0882","0.0891","","","","","","0.851","","","","has coordinates","171105","2020-10-21","18:00:00",""
"7036185","8.1157","0.0002","16.6921","0.0004","10.8193","0.0003","90","","98.625","0.003","90","","1449.09","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","1f","","- C15 H15 Br N4 -","- C15 H15 Br N4 -","- C60 H60 Br4 N16 -","4","2","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","","0.71073","MoKα","","0.0417","0.0363","","","0.0765","0.079","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036224","9.212","0.0008","41.834","0.004","9.7296","0.0009","90","","99.338","0.004","90","","3699.9","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 N8 O14 Re2 S2 -","- C26 H28 N8 O14 Re2 S2 -","- C104 H112 N32 O56 Re8 S8 -","4","2","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.0395","0.0348","","","0.079","0.0815","","","","","","1.037","","","","has coordinates","161445","2020-10-21","18:00:00",""
"7036241","6.0759","0.0019","18.516","0.006","10.153","0.003","90","","105.675","0.003","90","","1099.7","0.6","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N Sn -","- C21 H39 N Sn -","- C42 H78 N2 Sn2 -","2","1","","Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.","Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16156","16163","10.1039/c5dt01980j","","","0.71073","MoKα","","0.018","0.0173","","","0.0408","0.0412","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036245","15.409","0.005","11.059","0.003","16.712","0.006","90","","114.651","0.005","90","","2588.3","1.4","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 B2 Fe P2 -","- C28 H36 B2 Fe P2 -","- C112 H144 B8 Fe4 P8 -","4","2","","Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr","Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1976","1986","10.1039/c5dt02539g","","","0.71075","MoKα","","0.106","0.0948","","","0.2572","0.2647","","","","","","1.171","","","","has coordinates","176075","2020-10-21","18:00:00",""
"7036253","16.596","0.004","19.366","0.005","23.794","0.006","90","","93.056","0.005","90","","7636","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H36 B F24 Li O2 S4 -","- C44 H36 B F24 Li O2 S4 -","- C264 H216 B6 F144 Li6 O12 S24 -","6","3","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1446","0.0862","","","0.1913","0.2338","","","","","","1.024","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036287","15.787","0.002","16.517","0.003","18.303","0.003","90","","97.155","0.002","90","","4735.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","QD-Fe(III)PPIX acetonitrile solvate","","","- C110 H113.94 Fe2 N13 O12.47 -","- C110 H104 Fe2 N13 O12.467 -","- C220 H208 Fe4 N26 O24.934 -","2","1","","Gildenhuys, Johandie; Sammy, Chandre J.; Müller, Ronel; Streltsov, Victor A.; le Roex, Tanya; Kuter, David; de Villiers, Katherine A.","Alkoxide coordination of iron(iii) protoporphyrin IX by antimalarial quinoline methanols: a key interaction observed in the solid-state and solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16767","16777","10.1039/c5dt02671g","","","0.71073","MoKα","","0.0678","0.0483","","","0.1157","0.127","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036340","10.5921","0.0004","13.9695","0.0006","15.0293","0.0005","90","","94.299","0.003","90","","2217.57","0.15","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H42 B Cu F4 N2 P2 -","- C52 H42 B Cu F4 N2 P2 -","- C104 H84 B2 Cu2 F8 N4 P4 -","2","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Robeyns, Koen; Filinchuk, Yaroslav; Vande Velde, Christophe M. L.","Luminescent mononuclear mixed ligand complexes of copper(i) with 5-phenyl-2,2'-bipyridine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16824","16832","10.1039/c5dt02755a","","","0.71073","MoKα","","0.0437","0.0376","","","0.0886","0.0913","","","","","","1.007","","","","has coordinates","171101","2020-10-21","18:00:00",""
"7036390","6.7015","0.0003","18.7764","0.0008","8.4556","0.0005","90","","101.755","0.005","90","","1041.65","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cu N8 O7 -","- C16 H24 Cu N8 O7 -","- C32 H48 Cu2 N16 O14 -","2","1","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.0419","0.0358","","","0.0868","0.0908","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036397","13.907","0.002","24.215","0.004","24.31","0.004","90","","101.604","0.002","90","","8019","2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H55 Mo12 N14 Ni2 O46.5 P -","- C48 H42 Mo12 N14 Ni2 O46.5 P -","- C192 H168 Mo48 N56 Ni8 O186 P4 -","4","2","","Dong, Yayu; Xu, Xiao; Zhou, Guangpeng; Miao, Hao; Hu, GongHao; Xu, Yan","Three novel polyoxoanion-supported compounds: confinement of polyoxoanions in Ni-containing rigid concave surfaces with enhanced NLO properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18347","18353","10.1039/c5dt02710a","","","0.71073","MoKα","","0.0586","0.0428","","","0.0946","0.1018","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036421","8.8284","0.0012","8.0746","0.0011","12.3897","0.0016","90","","99.54","0.002","90","","871","0.2","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","4","","","- C15 H14 Cl Cu N3 O6 S -","- C15 H14 Cl Cu N3 O6 S -","- C30 H28 Cl2 Cu2 N6 O12 S2 -","2","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.71073","MoKα","","0.0208","0.0198","","","0.0492","0.0496","","","","","","1.04","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036425","8.3747","0.0017","13.005","0.003","10.693","0.002","90","","90.68","0.03","90","","1164.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl2 Mn2 N11 O4 -","- C17 H17 Cl2 Mn2 N11 O4 -","- C34 H34 Cl4 Mn4 N22 O8 -","2","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0399","0.0377","","","0.0834","0.0852","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036434","9.264","0.0019","12.02","0.002","13.833","0.003","90","","106.95","0.03","90","","1473.4","0.6","153.15","0.02","153.15","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H36 Mn N5 O15 P -","- C21 H36 Mn N5 O15 P -","- C42 H72 Mn2 N10 O30 P2 -","2","1","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.0497","0.0394","","","0.0686","0.0725","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036463","8.5246","0.0013","17.622","0.003","13.569","0.002","90","","91.475","0.002","90","","2037.7","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H20 Au Cl N O2 P -","- C21 H20 Au Cl N O2 P -","- C84 H80 Au4 Cl4 N4 O8 P4 -","4","2","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0749","0.0534","","","0.1161","0.141","","","","","","1.04","","","","has coordinates","161958","2020-10-21","18:00:00",""
"7036464","14.6585","0.0004","9.3247","0.0002","19.8149","0.0005","90","","102.985","0.002","90","","2639.16","0.12","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H24 Au Cl4 N2 O P -","- C23 H24 Au Cl4 N2 O P -","- C92 H96 Au4 Cl16 N8 O4 P4 -","4","2","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0737","0.0406","","","0.0863","0.1153","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036528","9.3816","0.0009","12.6128","0.0008","12.757","0.0012","90","","94.34","0.008","90","","1505.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H50 Al2 La N Si -","- C23 H50 Al2 La N Si -","- C46 H100 Al4 La2 N2 Si2 -","2","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0302","0.0278","","","0.0644","0.0653","","","","","","1.022","","","","has coordinates,has disorder","171188","2020-10-21","18:00:00",""
"7036552","6.4068","0.0003","8.8341","0.0005","14.4493","0.0008","90","","101.947","0.003","90","","800.09","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H7 Cl N3 O3 Re -","- C9 H7 Cl N3 O3 Re -","- C18 H14 Cl2 N6 O6 Re2 -","2","1","","Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.","Hydrazine-mediated strongly coupled Re(CO)3 dimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17268","17277","10.1039/c5dt02821c","","","1.54178","CuKα","","0.0642","0.0638","","","0.1864","0.1866","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036557","8.9756","0.0016","15.207","0.003","18.917","0.003","90","","103.018","0.002","90","","2515.7","0.8","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","Cymene chloroquinoline ruthenium","","","- C28 H29 Cl2 N3 O Ru -","- C28 H29 Cl2 N3 O Ru -","- C112 H116 Cl8 N12 O4 Ru4 -","4","2","","Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe","Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19314","19329","10.1039/c5dt02410b","","x-ray","0.71073","MoKα","","0.0312","0.0279","","","0.0652","0.067","","","","1.22","1.22","1.2","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036590","15.9082","0.0003","11.5304","0.0002","26.8321","0.0005","90","","94.447","0.001","90","","4906.94","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H66 I3 N9 Ni3 S6 -","- C33 H65.5 I3 N9 Ni3 S6 -","- C132 H262 I12 N36 Ni12 S24 -","4","2","","Warner, D. S.; Limberg, C.; Oldenburg, F. J.; Braun, B.","Reaction of a polydentate cysteine-based ligand and its nickel(ii) complex with electrophilic and nucleophilic methyl-transfer reagents - from S-methylation to acetyl coenzyme A synthase reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18378","18385","10.1039/c5dt02828k","","","0.71073","MoKα","","0.0547","0.0494","","","0.1384","0.1422","","","","","","1.051","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7036621","7.8582","0.0016","21.123","0.004","9.834","0.002","90","","102.49","0.03","90","","1593.7","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H28 F3 N4 O8 Re S3 -","- C28 H28 F3 N4 O8 Re S3 -","- C56 H56 F6 N8 O16 Re2 S6 -","2","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0139","0.0138","","","0.0345","0.0346","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036759","15.8121","0.0002","9.413","0.0001","22.9117","0.0003","90","","90.011","0.001","90","","3410.16","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane catena-tetra-μ-iododicuprate(I)","","- C32 H72 Cu8 I16 N8 -","- C32 H72 Cu8 I16 N8 -","- C64 H144 Cu16 I32 N16 -","2","1","","Maderlehner, Sebastian; Leitl, Markus J.; Yersin, Hartmut; Pfitzner, Arno","Halocuprate(i) zigzag chain structures with N-methylated DABCO cations - bright metal-centered luminescence and thermally activated color shifts.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19305","19313","10.1039/c5dt02709h","","","0.71073","MoKα","","0.034","0.0337","","","0.0756","0.0759","","","","","","1.038","","","","has coordinates","171214","2020-10-21","18:00:00",""
"7036760","4.1307","0.0013","17.9042","0.0002","10.3021","0.001","90","","90.331","0.006","90","","761.9","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Br O2 Sb Zn0.902 -","- Br O1.9225 Sb Zn0.75 -","- Br8 O15.38 Sb8 Zn6 -","8","4","","Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven","Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.","Dalton transactions (Cambridge, England : 2003)","2014","","","","","10.1039/c4dt02084g","","","0.7107","MoKα","","0.2549","0.0982","","","0.1017","0.1444","","","","2.02","2.02","1.4","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036770","4.271","0.0008","18.508","0.003","10.6741","0.0014","90","","90.054","0.013","90","","843.8","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- I4 O8 Sb4 Zn3.682 -","- I4 O7.69 Sb4 Zn3 -","- I8 O15.38 Sb8 Zn6 -","2","1","","Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven","Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.","Dalton transactions (Cambridge, England : 2003)","2014","","","","","10.1039/c4dt02084g","","","0.7107","MoKα","","0.2432","0.0729","","","0.0711","0.1082","","","","1.51","1.51","1.12","","","","has coordinates","160942","2020-10-21","18:00:00",""
"7036802","11.7981","0.001","26.54","0.002","12.7246","0.0011","90","","96.6405","0.0012","90","","3957.6","0.6","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H39 Cl O2 P2 Pt -","- C48 H39 Cl O2 P2 Pt -","- C192 H156 Cl4 O8 P8 Pt4 -","4","2","","Jia, Yu-Xiang; Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2095","2101","10.1039/c5dt02049b","","","0.71073","MoKα","","0.1014","0.0701","","","0.1416","0.154","","","","","","1.048","","","","has coordinates","176087","2020-10-21","18:00:00",""
"7036835","8.597","0.0003","18.9423","0.0008","11.595","0.0005","90","","107.2","0.001","90","","1803.77","0.13","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Cu(PPh3)tpym]PF6","","- C35 H29 Cl3 Cu F6 N3 P2 -","- C35 H29 Cl3 Cu F6 N3 P2 -","- C70 H58 Cl6 Cu2 F12 N6 P4 -","2","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg","A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20045","20055","10.1039/c5dt03065j","","","0.71069","MoKα","","0.0349","0.029","","","0.0622","0.0643","","","","","","1.03","","","","has coordinates,has disorder","171116","2020-10-21","18:00:00",""
"7037083","7.4916","0.0007","8.4263","0.0009","8.7496","0.0009","90","","93.708","0.004","90","","551.18","0.1","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C11 H7 Cl2 N S -","- C11 H7 Cl2 N S -","- C22 H14 Cl4 N2 S2 -","2","1","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","x-ray","0.71073","MoKα","","0.0318","0.0299","","","0.0788","0.0805","","","","","","1.048","","","","has coordinates","181729","2020-10-21","18:00:00",""
"7037103","9.5282","0.0016","15.355","0.003","20.655","0.004","90","","90.146","0.007","90","","3021.9","1","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(R)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}-nickel(II)","","- C38 H32 N2 Ni O2 -","- C38 H32 N2 Ni O2 -","- C152 H128 N8 Ni4 O8 -","4","2","","Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph","Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","667","680","10.1039/c5dt03940a","","","0.71073","MoKα","","0.0678","0.0494","","","0.0943","0.1016","","","","","","0.991","","","","has coordinates","175991","2020-10-21","18:00:00",""
"7037104","9.5328","0.0009","15.297","0.0016","20.56","0.002","90","","90.192","0.006","90","","2998.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}nickel(II)","","- C38 H32 N2 Ni O2 -","- C38 H32 N2 Ni O2 -","- C152 H128 N8 Ni4 O8 -","4","2","","Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph","Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","667","680","10.1039/c5dt03940a","","","0.71073","MoKα","","0.0438","0.0384","","","0.0922","0.0945","","","","","","1.006","","","","has coordinates","175991","2020-10-21","18:00:00",""
"7037106","12.918","0.003","13.05","0.003","16.184","0.003","90","","112.66","0.03","90","","2517.7","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H52 Cu2 I8 N12 -","- C30 H52 Cu2 I8 N12 -","- C60 H104 Cu4 I16 N24 -","2","1","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","","0.71073","MoKα","","0.0271","0.0246","","","0.0551","0.0561","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037175","7.3797","0.0002","17.4297","0.0003","8.774","0.0002","90","","110.727","0.003","90","","1055.52","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N5 O6 Zn -","- C20 H21 N5 O6 Zn -","- C40 H42 N10 O12 Zn2 -","2","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0549","0.0535","","","0.1449","0.1482","","","","","","1.075","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037184","12.0388","0.001","13.9068","0.0012","12.7141","0.0011","90","","105.968","0.001","90","","2046.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H48 Cl6 Ga2 N2 -","- C35 H48 Cl6 Ga2 N2 -","- C70 H96 Cl12 Ga4 N4 -","2","1","","Zhao, Yanxia; Liu, Yanyan; Li, Qian-Shu; Su, Ji-Hu","Synthesis and structures of mononuclear and dinuclear gallium complexes with α-diimine ligands: reduction of the metal or ligand?","Dalton transactions (Cambridge, England : 2003)","2015","45","1","246","252","10.1039/c5dt03372a","","","0.71073","MoKα","","0.0281","0.0262","","","0.0605","0.0614","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037192","9.5876","0.0003","22.2227","0.0007","12.7177","0.0004","90","","107.603","0.001","90","","2582.78","0.14","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H54 Cl3 O P4 Ru -","- C60 H54 Cl3 O P4 Ru -","- C120 H108 Cl6 O2 P8 Ru2 -","2","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.0848","0.0735","","","0.1574","0.1626","","","","","","1.171","","","","has coordinates,has disorder","171149","2020-10-21","18:00:00",""
"7037217","9.8711","0.0012","24.766","0.003","25.596","0.003","90","","100.77","0.002","90","","6147.2","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H130 Ag2 Cl10 Cu12 N16 O82 -","- C55 H130 Ag2 Cl10 Cu12 N16 O82 -","- C110 H260 Ag4 Cl20 Cu24 N32 O164 -","2","1","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.1219","0.0799","","","0.1879","0.2059","","","","","","1.014","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037247","13.914","0.004","10.463","0.003","14.174","0.005","90","","102.27","0.03","90","","2016.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H64 N2 O2 Zn2 -","- C42 H64 N2 O2 Zn2 -","- C84 H128 N4 O4 Zn4 -","2","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","1.54184","CuKα","","0.0525","0.0511","","","0.1406","0.15","","","","","","1.207","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037258","10.346","0.001","10.356","0.001","10.67","0.001","90","","90.978","0.001","90","","1143.05","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Cr N O3 Pd -","- C27 H25 Cr N O3 Pd -","- C54 H50 Cr2 N2 O6 Pd2 -","2","1","","Werlé, Christophe; Anstine, Dylan M.; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","New Pd(ii) hemichelates devoid of incipient bridging COPd interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","607","617","10.1039/c5dt03648h","","","0.71069","MoKα","","0.0304","0.0292","","","0.0698","0.0712","","","","","","0.998","","","","has coordinates","176002","2020-10-21","18:00:00",""
"7037263","8.4929","0.0004","9.6479","0.0003","13.1996","0.0006","90","","90.066","0.004","90","","1081.56","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Hg K4 O Se3 -","- Hg K4 O Se3 -","- Hg4 K16 O4 Se12 -","4","2","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0545","0.0498","","","0.1156","0.1174","","","","","","1.006","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037314","10.853","0.003","4.587","0.002","12.513","0.004","90","","93.9","0.02","90","","621.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","bth2NH","(NCSC6H4)2NH","","- C14 H9 N3 S2 -","- C14 H9 N3 S2 -","- C28 H18 N6 S4 -","2","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.71073","MoKα","","0.032","0.0309","","","0.0796","0.0801","","","","","","1.188","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037379","10.3219","0.0004","14.7114","0.0005","15.3878","0.0006","90","","100.192","0.002","90","","2299.76","0.15","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C60 H34 P2 S6 -","- C60 H34 P2 S6 -","- C120 H68 P4 S12 -","2","1","","Delaunay, W.; Szűcs, R; Pascal, S.; Mocanu, A.; Bouit, P.-A.; Nyulászi, L; Hissler, M.","Synthesis and electronic properties of polycyclic aromatic hydrocarbons doped with phosphorus and sulfur.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1896","1903","10.1039/c5dt04154f","","x-ray","0.71073","MoKα","","0.0779","0.0567","","","0.1405","0.1559","","","","","","1.028","","","","has coordinates,has disorder","176091","2020-10-21","18:00:00",""
"7037414","5.5221","0.0009","14.646","0.002","9.6251","0.0015","90","","97.844","0.006","90","","771.2","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C38 H32 N8 -","2","1","","Schorn, W.; Grosse-Hagenbrock, D; Oelkers, B.; Sundermeyer, J.","Formazanido complexes of heavier group 13 elements aluminium, gallium, and indium.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1201","1207","10.1039/c5dt03906a","","","0.71073","MoKα","","0.0916","0.0575","","","0.1403","0.1582","","","","","","1.028","","","","has coordinates","176054","2020-10-21","18:00:00",""
"7037441","10.5786","0.00007","16.52575","0.00009","14.80544","0.00008","90","","95.7963","0.0006","90","","2575.04","0.03","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C132 H100 O12 P4 -","4","2","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","1.54184","CuKα","","0.0303","0.0273","","","0.0645","0.0663","","","","","","1.049","","","","has coordinates,has disorder","176099","2020-10-21","18:00:00",""
"7037442","9.5367","0.0015","14.1786","0.0015","9.6102","0.0011","90","","107.242","0.014","90","","1241.1","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H23 O3 P -","- C33 H23 O3 P -","- C66 H46 O6 P2 -","2","1","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","0.71073","MoKα","","0.0903","0.0588","","","0.097","0.1099","","","","","","1.034","","","","has coordinates","176099","2020-10-21","18:00:00",""
"7037444","11.4401","0.0002","16.7063","0.0003","16.3663","0.0003","90","","90.6112","0.0016","90","","3127.78","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl O2 P Pd -","- C38 H32 Cl O2 P Pd -","- C152 H128 Cl4 O8 P4 Pd4 -","4","2","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","0.71073","MoKα","","0.056","0.0355","","","0.0629","0.0708","","","","","","1.051","","","","has coordinates,has disorder","176099","2020-10-21","18:00:00",""
"7037494","11.3918","0.0002","12.8158","0.0003","21.9314","0.0004","90","","95.897","0.002","90","","3184.93","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H52 N3 Na Zn -","- C30 H52 N3 Na Zn -","- C120 H208 N12 Na4 Zn4 -","4","2","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","1.5418","CuKα","","0.047","0.0388","","","0.0904","0.0965","","","","","","1.037","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037529","15.6019","0.0004","21.4078","0.0004","28.0537","0.0007","90","","95.299","0.002","90","","9330","0.4","183","1","183","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C139 H242 Co2 N34 O56 P2 -","- C136 H190 Co2 N34 O32 P2 -","- C272 H380 Co4 N68 O64 P4 -","2","1","","Santoro, Giuseppe; Beltrami, Ruben; Kottelat, Emmanuel; Blacque, Olivier; Bogdanova, Anna Yu; Zobi, Fabio","N-Nitrosamine-{cis-Re[CO]2}(2+) cobalamin conjugates as mixed CO/NO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1504","1513","10.1039/c5dt03402g","","","0.71073","MoKα","","0.0834","0.0717","","","0.1836","0.1928","","","","","","1.048","","","","has coordinates,has disorder","176027","2020-10-21","18:00:00",""
"7037638","12.7102","0.0006","12.89","0.0005","19.9985","0.0009","90","","102.464","0.004","90","","3199.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H87 Cl3 N14 Ni2 O12 -","- C54 H87 Cl3 N14 Ni2 O12 -","- C108 H174 Cl6 N28 Ni4 O24 -","2","1","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","1.54184","CuKα","","0.0536","0.0447","","","0.1109","0.1157","","","","","","1.035","","","","has coordinates","176041","2020-10-21","18:00:00",""
"7037667","8.1234","0.0004","10.1959","0.0005","15.7514","0.0008","90","","102.363","0.0014","90","","1274.36","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl2 N4 S4 Zn -","- C22 H20 Cl2 N4 S4 Zn -","- C44 H40 Cl4 N8 S8 Zn2 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0445","0.0439","","","0.1185","0.1192","","","","","","1.08","","","","has coordinates","176029","2020-10-21","18:00:00",""
"7037710","9.6603","0.0019","9.6213","0.0019","11.168","0.002","90","","109.77","0.03","90","","976.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H10 K Mg O22 Ru2 -","- C4 H10 K Mg O22 Ru2 -","- C8 H20 K2 Mg2 O44 Ru4 -","2","1","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0469","0.0387","","","0.0773","0.0798","","","","","","1.059","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7037833","11.7571","0.0009","6.1328","0.0005","15.8273","0.0012","90","","96.17","0.004","90","","1134.6","0.15","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 Cl2 N2 O2 -","- C21 H34 Cl2 N2 O2 -","- C42 H68 Cl4 N4 O4 -","2","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0552","0.0404","","","0.0805","0.0866","","","","","","1.034","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037952","12.854","0.002","11.2524","0.0013","15.806","0.004","90","","109.355","0.016","90","","2156.9","0.7","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H30 Cl3 Cu N4 -","- C16 H30 Cl3 Cu N4 -","- C64 H120 Cl12 Cu4 N16 -","4","2","","Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero","Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3327","3333","10.1039/c5dt03772g","","","0.71073","MoKα","","0.0372","0.0329","","","0.0802","0.0836","","","","","","1.049","","","","has coordinates,has disorder","177823","2020-10-21","18:00:00",""
"7037995","9.5145","0.0007","16.653","0.001","9.5978","0.0007","90","","94.788","0.001","90","","1515.42","0.18","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","Tetraethyl Ammonium Fluoride complex of Vasarene [4]","","","- C34 H40 F N O9 -","- C34 H40 F N O9 -","- C68 H80 F2 N2 O18 -","2","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0556","0.0527","","","0.1275","0.1294","","","","","","1.135","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7038139","12.3928","0.0013","43.389","0.005","12.6838","0.0013","90","","90.013","0.002","90","","6820.2","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H96 I5 N2 Nd3 O12 S4 -","- C48 H96 I5 N2 Nd3 O12 S4 -","- C192 H384 I20 N8 Nd12 O48 S16 -","4","2","","Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.","Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4558","4562","10.1039/c5dt04742k","","","0.71073","MoKα","","0.0624","0.045","","","0.0639","0.0671","","","","","","1.009","","","","has coordinates","181687","2020-10-21","18:00:00",""
"7038140","12.418","0.0014","43.476","0.005","12.7074","0.0015","90","","90.03","0.002","90","","6860.5","1.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H96 Dy3 I5 N2 O12 S4 -","- C48 H96 Dy3 I5 N2 O12 S4 -","- C192 H384 Dy12 I20 N8 O48 S16 -","4","2","","Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.","Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4558","4562","10.1039/c5dt04742k","","","0.71073","MoKα","","0.0346","0.034","","","0.0848","0.0851","","","","","","1.085","","","","has coordinates","181687","2020-10-21","18:00:00",""
"7038172","11.9037","0.0006","13.9854","0.0007","24.2752","0.0011","90","","104.151","0.0005","90","","3918.6","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H32 F6 N O6 P3 S2 -","- C14 H32 F6 N O6 P3 S2 -","- C84 H192 F36 N6 O36 P18 S12 -","6","3","","Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert","2-Phosphino-1,3-diphosphonium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2124","2129","10.1039/c5dt03116h","","","0.71073","MoKα","","0.0325","0.0312","","","0.0825","0.0837","","","","","","1.012","","","","has coordinates","175215","2020-10-21","18:00:00",""
"7038192","8.9958","0.0005","22.5355","0.0009","23.3422","0.0015","90","","99.763","0.006","90","","4663.5","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H48 Fe N O7 P -","- C59 H48 Fe N O7 P -","- C236 H192 Fe4 N4 O28 P4 -","4","2","","Hodgkinson, Roy; Del Grosso, Alessandro; Clarkson, Guy; Wills, Martin","Iron cyclopentadienone complexes derived from C2-symmetric bis-propargylic alcohols; preparation and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3992","4005","10.1039/c5dt04610f","","x-ray","1.54184","CuKα","","0.0962","0.0634","","","0.1614","0.1964","","","","","","1.008","","","","has coordinates","177867","2020-10-21","18:00:00",""
"7038382","11.1931","0.0005","16.2112","0.0004","17.2184","0.0007","90","","106.908","0.002","90","","2989.3","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H74 Br2 Cl4 Cu2 N4 P2 -","- C46 H74 Br2 Cl4 Cu2 N4 P2 -","- C92 H148 Br4 Cl8 Cu4 N8 P4 -","2","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0859","0.0571","","","0.1322","0.1438","","","","","","0.974","","","","has coordinates","181653","2020-10-21","18:00:00",""
"7038709","11.609","0.004","10.843","0.003","20.674","0.007","90","","91.013","0.008","90","","2602","1.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(Cl)(NCPh)(IMes)2]BF4","chloro-benzonitrile-N,N?-bis{2,4,6-(trimethyl)phenyl}imidazol-2-ylidene-N,N?-bis{2,4,6-(trimethyl)phenyl} imidazol-2-ylidene palladium(II) tetrafluoroborate","","- C50 H54 B Cl4 F4 N5 Pd -","- C50 H54 B Cl4 F4 N5 Pd -","- C100 H108 B2 Cl8 F8 N10 Pd2 -","2","1","","Santoro, Orlando; Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Homoleptic and heteroleptic bis-NHC Cu(i) complexes as carbene transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4970","4973","10.1039/c6dt00595k","","","0.71075","MoKα","","0.1598","0.1213","","","0.3075","0.3253","","","","","","1.086","","","","has coordinates","181668","2020-10-21","18:00:00",""
"7038745","11.275","0.003","18.349","0.005","12.715","0.003","90","","110.275","0.003","90","","2467.6","1.1","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H51 Cl3 N6 O17 Zn2 -","- C46 H40 Cl3 N6 O17 Zn2 -","- C92 H80 Cl6 N12 O34 Zn4 -","2","1","","Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro","OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7250","7257","10.1039/c6dt00506c","","","0.7107","MoKα","","0.0767","0.0613","","","0.1444","0.1588","","","","","","1.101","","","","has coordinates","182754","2020-10-21","18:00:00",""
"7038753","13.3549","0.0009","11.2578","0.0007","17.3499","0.0013","90","","97.499","0.003","90","","2586.2","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.36 H65.73 Cl2 Fe N9 O8 -","- C49.363 H65.726 Cl2 Fe N9 O8 -","- C98.726 H131.452 Cl4 Fe2 N18 O16 -","2","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.1259","0.0769","","","0.14","0.1608","","","","","","1.16","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038754","13.3184","0.0007","11.2564","0.0006","17.3597","0.0009","90","","97.5679","0.0018","90","","2579.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.62 H66.25 Cl2 Fe N9 O8 -","- C49.625 H66.25 Cl2 Fe N9 O8 -","- C99.25 H132.5 Cl4 Fe2 N18 O16 -","2","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.0775","0.0504","","","0.093","0.1038","","","","","","1.026","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038789","14.7846","0.0014","11.3421","0.0011","26.747","0.002","90","","94.783","0.009","90","","4469.5","0.7","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","tacnthiazCu","no2thCu","","- C14 H20 Cl2 Cu N5 O8 S2 -","- C14 H20 Cl2 Cu N5 O8 S2 -","- C112 H160 Cl16 Cu8 N40 O64 S16 -","8","4","","Le Fur, Mariane; Beyler, Maryline; Le Poul, Nicolas; Lima, Luís M P; Le Mest, Yves; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Improving the stability and inertness of Cu(ii) and Cu(i) complexes with methylthiazolyl ligands by tuning the macrocyclic structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7406","7420","10.1039/c6dt00385k","","x-ray","0.71073","MoKα","","0.1627","0.0526","","","0.0897","0.1176","","","","","","0.79","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7038910","14.854","0.009","5.972","0.003","21.848","0.013","90","","98.216","0.007","90","","1918.2","1.9","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H15 As Br2 -","- C22 H15 As Br2 -","- C88 H60 As4 Br8 -","4","2","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","0.1331","0.062","","","0.0716","0.089","","","","","","1","","","","has coordinates","185441","2020-10-21","18:00:00",""
"7038911","12.083","0.011","5.892","0.005","14.894","0.013","90","","110.275","0.008","90","","994.7","1.5","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C48 H42 As2 O4 -","2","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","0.0488","0.044","","","0.1123","0.1158","","","","","","1.083","","","","has coordinates","185441","2020-10-21","18:00:00",""
"7038941","11.2448","0.0011","20.7113","0.0018","17.1163","0.0016","90","","99.173","0.002","90","","3935.3","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H70 Eu2 N4 O12 -","- C94 H70 Eu2 N4 O12 -","- C188 H140 Eu4 N8 O24 -","2","1","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0475","0.039","","","0.0938","0.0991","","","","","","1.069","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038951","17.34","0.002","22.082","0.002","33.227","0.003","90","","94.092","0.004","90","","12690","2","134","2","134","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.75 H50 Cl3 I3.5 N2 O2 P2 Ru2 -","- C65.75 H50 Cl3 I3.5 N2 O2 P2 Ru2 -","- C526 H400 Cl24 I28 N16 O16 P16 Ru16 -","8","4","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","0.71073","MoKα","","0.0599","0.0494","","","0.1113","0.1196","","","","","","1.044","","","","has coordinates,has disorder","185539","2020-10-21","18:00:00",""
"7038983","17.3656","0.0016","7.1675","0.0006","23.078","0.002","90","","91.562","0.004","90","","2871.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl6 O3 P2 Ru2 -","- C59 H60 Cl6 O3 P2 Ru2 -","- C118 H120 Cl12 O6 P4 Ru4 -","2","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.0764","0.0523","","","0.1183","0.1271","","","","","","1.064","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038985","7.2995","0.0007","17.5838","0.0017","10.6219","0.0011","90","","100.738","0.004","90","","1339.5","0.2","302","2","302","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H29 Cl2 P Ru S -","- C29 H29 Cl2 P Ru S -","- C58 H58 Cl4 P2 Ru2 S2 -","2","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.0349","0.0266","","","0.054","0.0583","","","","","","1.063","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7039048","8.3918","0.0005","15.3888","0.0009","9.8617","0.0006","90","","99.8654","0.0015","90","","1254.71","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl Fe N5 O6 -","- C24 H22 Cl Fe N5 O6 -","- C48 H44 Cl2 Fe2 N10 O12 -","2","1","","Lakshman, Triloke Ranjan; Chatterjee, Sayanti; Chakraborty, Biswarup; Paine, Tapan Kanti","Substrate-dependent aromatic ring fission of catechol and 2-aminophenol with O2 catalyzed by a nonheme iron complex of a tripodal N4 ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8835","8844","10.1039/c5dt04541j","","x-ray","0.71073","MoKα","","0.0572","0.0393","","","0.0682","0.0753","","","","","","1.02","","","","has coordinates","185442","2020-10-21","18:00:00",""
"7039066","5.2169","0.0006","6.5905","0.0007","9.3342","0.001","90","","92.267","0.002","90","","320.68","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 As F6 N -","- C2 H4 As F6 N -","- C4 H8 As2 F12 N2 -","2","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0173","0.0169","","","0.0426","0.0427","","","","","","1.122","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039088","9.814","0.0003","6.7216","0.0002","20.346","0.0006","90","","99.8118","0.001","90","","1322.51","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H33 N3 O2 P2 -","- C29 H33 N3 O2 P2 -","- C58 H66 N6 O4 P4 -","2","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0333","0.03","","","0.0741","0.076","","","","","","1.074","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039106","9.9533","0.0007","13.4582","0.001","15.8253","0.0012","90","","102.666","0.002","90","","2068.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H43 F N3 O2 Rh S2 -","- C49 H43 F N3 O2 Rh S2 -","- C98 H86 F2 N6 O4 Rh2 S4 -","2","1","","Ma, Jiajia; Shen, Xiaodong; Harms, Klaus; Meggers, Eric","Expanding the family of bis-cyclometalated chiral-at-metal rhodium(iii) catalysts with a benzothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8320","8323","10.1039/c6dt01063f","","","0.71073","MoKα","","0.0498","0.0406","","","0.0897","0.0938","","","","","","1.035","","","","has coordinates","185415","2020-10-21","18:00:00",""
"7039121","12.908","0.0002","24.6246","0.0004","13.3941","0.0002","90","","97.854","0.001","90","","4217.44","0.11","173","0.14","173","0.14","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H86 Ce2 Co2 N4 O44 P6 Re6 -","- C42 H86 Ce2 Co2 N4 O44 P6 Re6 -","- C84 H172 Ce4 Co4 N8 O88 P12 Re12 -","2","1","","Wong, Kang-Long; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic cerium(iv) oxo clusters supported by a tripodal oxygen ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8770","8776","10.1039/c6dt00678g","","x-ray","1.5418","CuKα","","0.0553","0.0529","","","0.1333","0.1357","","","","","","1.004","","","","has coordinates,has disorder","185447","2020-10-21","18:00:00",""
"7039292","13.4859","0.001","20.6897","0.0015","20.2255","0.0015","90","","109.144","0.001","90","","5331.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H150 K4 N4 O15 -","- C112 H150 K4 N4 O15 -","- C224 H300 K8 N8 O30 -","2","1","","Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9636","9645","10.1039/c6dt01417h","","","0.71073","MoKα","","0.0912","0.0602","","","0.1203","0.1327","","","","","","0.912","","","","has coordinates,has disorder","185516","2020-10-21","18:00:00",""
"7039347","9.7243","0.0004","33.0698","0.0017","9.7619","0.0005","90","","97.492","0.003","90","","3112.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H40 Cl N9 Ni O3.5 -","- C26 H40 Cl N9 Ni O3.5 -","- C104 H160 Cl4 N36 Ni4 O14 -","4","2","","Ghosh, Somnath; Deka, Hemanta; Dangat, Yuvraj B.; Saha, Soumen; Gogoi, Kuldeep; Vanka, Kumar; Mondal, Biplab","Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10200","10208","10.1039/c6dt00826g","","","0.71073","MoKα","","0.1297","0.076","","","0.1873","0.2342","","","","","","1.181","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039365","14.6459","0.0018","13.6541","0.0018","18.104","0.002","90","","111.227","0.002","90","","3374.7","0.7","130","2","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H53 Mg N3 O Si2 -","- C31 H53 Mg N3 O Si2 -","- C124 H212 Mg4 N12 O4 Si8 -","4","2","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","0.71073","MoKα","","0.1247","0.0673","","","0.1493","0.1796","","","","","","1.008","","","","has coordinates","185401","2020-10-21","18:00:00",""
"7039366","10.578","0.003","17.438","0.005","23.315","0.007","90","","100.208","0.005","90","","4233","2","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H68 Mg N3 O Si2 -","- C40 H68 Mg N3 O Si2 -","- C160 H272 Mg4 N12 O4 Si8 -","4","2","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","0.71073","MoKα","","0.1257","0.0702","","","0.1424","0.167","","","","","","0.992","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039463","7.1484","0.0012","11.29","0.002","8.5139","0.0015","90","","95.39","0.007","90","","684.1","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H15 B9 O2 Ru -","- C8 H15 B9 O2 Ru -","- C16 H30 B18 O4 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0167","0.016","","","0.0347","0.0349","","","","","","1.032","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039465","7.8271","0.0004","15.8356","0.0007","7.9871","0.0004","90","","95.617","0.003","90","","985.22","0.08","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H24 B9 O5 P Ru -","- C11 H24 B9 O5 P Ru -","- C22 H48 B18 O10 P2 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0428","0.0399","","","0.0941","0.0952","","","","","","1.104","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039470","6.8727","0.0006","13.5765","0.0012","11.6682","0.001","90","","95.526","0.001","90","","1083.67","0.16","238","2","238","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N6 Sn -","- C24 H20 N6 Sn -","- C48 H40 N12 Sn2 -","2","1","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0506","","","","","","1.049","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7039473","10.7341","0.0012","17.247","0.0018","25.237","0.003","90","","101.824","0.002","90","","4573","0.9","238","2","238","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H56 N6 O5 Zr2 -","- C40 H56 N6 O5 Zr2 -","- C160 H224 N24 O20 Zr8 -","4","2","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.0509","0.0459","","","0.1102","0.1125","","","","","","1.302","","","","has coordinates","185396","2020-10-21","18:00:00",""
"7039496","10.404","0.014","18.4","0.02","11.973","0.015","90","","114.573","0.015","90","","2084","4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H17 As S2 -","- C26 H17 As S2 -","- C104 H68 As4 S8 -","4","2","","Kato, Takuji; Imoto, Hiroaki; Tanaka, Susumu; Ishidoshiro, Makoto; Naka, Kensuke","Facile synthesis and properties of dithieno[3,2-b:2',3'-d]arsoles.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11338","11345","10.1039/c6dt02034h","","","0.71075","MoKα","","0.0914","0.065","","","0.1458","0.1636","","","","","","1.027","","","","has coordinates","185507","2020-10-21","18:00:00",""
"7039523","9.705","0.003","16.342","0.005","12.564","0.004","90","","95.886","0.013","90","","1982.1","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","2","","Ghosh, Soumen; Ganguly, Aniruddha; Uddin, Md Raihan; Mandal, Sukhendu; Alam, Md Akhtarul; Guchhait, Nikhil","Dual mode selective chemosensor for copper and fluoride ions: a fluorometric, colorimetric and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11042","11051","10.1039/c6dt00968a","","","0.71073","MoKα","","0.212","0.0813","","","0.1807","0.2518","","","","","","1.018","","","","has coordinates","185410","2020-10-21","18:00:00",""
"7039589","11.66","0.009","11.998","0.009","11.826","0.009","90","","92.19","0.02","90","","1653","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N6 O3 S2 -","- C32 H48 N6 O3 S2 -","- C64 H96 N12 O6 S4 -","2","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","1.54178","CuKα","","0.1264","0.0695","","","0.1437","0.1602","","","","","","0.834","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039601","11.098","0.0004","13.1409","0.0006","18.4244","0.0006","90","","106.287","0.003","90","","2579.14","0.18","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H39 B F2 N2 P2 Pt -","- C22 H39 B F2 N2 P2 Pt -","- C88 H156 B4 F8 N8 P8 Pt4 -","4","2","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.037","0.0344","","","0.0747","0.0756","","","","","","1.049","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039626","9.86","0.004","9.94","0.004","10.962","0.004","90","","111.93","0.02","90","","996.6","0.7","150","2","149.9","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 B N2 -","- C21 H39 B N2 -","- C42 H78 B2 N4 -","2","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.1347","0.0679","","","0.1399","0.1688","","","","","","0.9969","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039775","8.709","0.005","22.841","0.005","10.007","0.005","90","","92.394","0.005","90","","1988.9","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H57 F6 Ir O2 P2 -","- C38 H57 F6 Ir O2 P2 -","- C76 H114 F12 Ir2 O4 P4 -","2","1","","Kovalenko, Oleksandr O.; Wendt, Ola F.","An electron poor iridium pincer complex for catalytic alkane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15963","15969","10.1039/c6dt01816e","","","0.71073","MoKα","","0.0872","0.055","","","0.0935","0.1082","","","","","","1.018","","","","has coordinates","188212","2020-10-21","18:00:00",""
"7039889","10.4127","0.0003","20.6503","0.0003","11.3111","0.0003","90","","113.247","0.003","90","","2234.71","0.11","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H54 Mg N2 O2 P2 -","- C54 H54 Mg N2 O2 P2 -","- C108 H108 Mg2 N4 O4 P4 -","2","1","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0473","0.0427","","","0.1002","0.1048","","","","","","1.064","","","","has coordinates","185318","2020-10-21","18:00:00",""
"7040006","24.7231","0.0004","16.8366","0.0003","30.9698","0.0007","90","","94.202","0.001","90","","12856.6","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C182 H328 Cr14 F11 N3 Ni2 O71 -","- C182 H328 Cr14.04 F11 N3 Ni2.04 O71 -","- C364 H656 Cr28.08 F22 N6 Ni4.08 O142 -","2","1","","Timco, Grigore; Marocchi, Simone; Garlatti, Elena; Barker, Claire; Albring, Morten; Bellini, Valerio; Manghi, Franca; McInnes, Eric J. L.; Pritchard, Robin G.; Tuna, Floriana; Wernsdorfer, Wolfgang; Lorusso, Giulia; Amoretti, Giuseppe; Carretta, Stefano; Affronte, Marco; Winpenny, Richard E. P.","Heterodimers of heterometallic rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16610","16615","10.1039/c6dt01941b","","x-ray","0.71073","MoKα","","0.1441","0.1055","","","0.2418","0.2656","","","","","","1.292","","","","has coordinates","188236","2020-10-21","18:00:00",""
"7040035","9.991","0.003","6.986","0.002","12.879","0.004","90","","112.856","0.005","90","","828.3","0.4","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H16 B Co F4 N4 Na O2 -","- C13 H16 B Co F4 N4 Na O2 -","- C26 H32 B2 Co2 F8 N8 Na2 O4 -","2","1","","Corona, Teresa; Company, Anna","Nitrous oxide activation by a cobalt(ii) complex for aldehyde oxidation under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14530","14533","10.1039/c6dt01704e","","","0.71073","MoKα","","0.1192","0.0989","","","0.2662","0.3121","","","","","","1.264","","","","has coordinates,has disorder","187150","2020-10-21","18:00:00",""
"7040057","19.7186","0.0006","10.8796","0.0002","23.3108","0.0006","90","","93.68","0.002","90","","4990.6","0.2","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C78 H90 Ag2 Cl10 F18 N6 O7 P4 S2 -","- C78 H89 Ag2 Cl10 F18 N6 O7 P4 S2 -","- C156 H178 Ag4 Cl20 F36 N12 O14 P8 S4 -","2","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","1.54184","CuKα","","0.0941","0.087","","","0.2411","0.2493","","","","","","1.067","","","","has coordinates","186417","2020-10-21","18:00:00",""
"7040061","10.9383","0.0003","19.4448","0.0003","17.0362","0.0004","90","","108.045","0.003","90","","3445.26","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl F6 N3 Ni P2 -","- C35 H38 Cl F6 N3 Ni P2 -","- C140 H152 Cl4 F24 N12 Ni4 P8 -","4","2","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","x-ray","0.71075","MoKα","K-L~3~","0.0755","0.06","","","0.1573","0.1694","","","","","","1.022","","","","has coordinates","186417","2020-10-21","18:00:00",""
"7040062","10.0849","0.0002","15.7236","0.0004","25.0744","0.0006","90","","100.252","0.002","90","","3912.59","0.16","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H84 Cl2 F12 N8 P4 Pt -","- C74 H84 Cl2 F12 N8 P4 Pt -","- C148 H168 Cl4 F24 N16 P8 Pt2 -","2","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","0.71073","MoKα","","0.0515","0.046","","","0.1086","0.1123","","","","","","1.076","","","","has coordinates,has disorder","186417","2020-10-21","18:00:00",""
"7040089","24.5611","0.0016","8.8388","0.0006","24.6996","0.0016","90","","93.743","0.001","90","","5350.6","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H34.5 Cl N O4.25 Rh S -","- C25 H34 Cl N O4.25 Rh S -","- C200 H272 Cl8 N8 O34 Rh8 S8 -","8","4","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.1604","0.124","","","0.268","0.2907","","","","","","1.094","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040091","12.326","0.003","11.038","0.003","19.034","0.005","90","","103.541","0.004","90","","2517.7","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H29 F6 N O2 Rh S Sb -","- C21 H29 F6 N O2 Rh S Sb -","- C84 H116 F24 N4 O8 Rh4 S4 Sb4 -","4","2","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.0885","0.0606","","","0.1136","0.1269","","","","","","1.046","","","","has coordinates,has disorder","187111","2020-10-21","18:00:00",""
"7040120","9.7985","0.0008","13.1054","0.0009","9.8329","0.0008","90","","97.233","0.003","90","","1252.63","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H38 Cl N3 O7 Zn -","- C19 H38 Cl N3 O7 Zn -","- C38 H76 Cl2 N6 O14 Zn2 -","2","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","0.71073","MoKα","","0.0771","0.0677","","","0.1872","0.195","","","","","","1.077","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040123","6.9628","0.0005","18.5602","0.0013","17.4498","0.0012","90","","101.011","0.002","90","","2213.5","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H26 Cl2 N4 O3 Pd S -","- C19 H26 Cl2 N4 O3 Pd S -","- C76 H104 Cl8 N16 O12 Pd4 S4 -","4","2","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","0.71073","MoKα","","0.0558","0.0418","","","0.0829","0.0899","","","","","","1.023","","","","has coordinates","186406","2020-10-21","18:00:00",""
"7040124","6.9292","0.0002","18.4742","0.0008","17.4103","0.0007","90","","101.171","0.002","90","","2186.49","0.14","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H26 Cl2 N4 Ni O3 S -","- C19 H26 Cl2 N4 Ni O3 S -","- C76 H104 Cl8 N16 Ni4 O12 S4 -","4","2","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","0.71073","MoKα","","0.04","0.0342","","","0.0789","0.0827","","","","","","1.024","","","","has coordinates,has disorder","186406","2020-10-21","18:00:00",""
"7040212","12.2262","0.0004","6.03311","0.00018","12.5465","0.0005","90","","115.216","0.001","90","","837.26","0.05","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 As -","- C22 H17 As -","- C44 H34 As2 -","2","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","","0.0246","","","","0.0409","","","","","","1.205","","","","has coordinates","185068","2020-10-21","18:00:00",""
"7040214","12.1722","0.0005","5.9237","0.0002","12.6791","0.0006","90","","115.892","0.0015","90","","822.45","0.06","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","","0.0308","","","","0.0618","","","","","","1.036","","","","has coordinates","185068","2020-10-21","18:00:00",""
"7040300","11.4375","0.0009","18.7399","0.0019","14.7262","0.0014","90","","98.732","0.002","90","","3119.8","0.5","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H53 N O P2 Ru -","- C32 H53 N O P2 Ru -","- C128 H212 N4 O4 P8 Ru4 -","4","2","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.0701","0.0493","","","0.091","0.098","","","","","","0.979","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040376","9.8159","0.0013","11.0792","0.0015","14.558","0.002","90","","90.703","0.009","90","","1583.1","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H43 B19 Ni P2 -","- C20 H43 B19 Ni P2 -","- C40 H86 B38 Ni2 P4 -","2","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.1216","0.0699","","","0.1353","0.1567","","","","","","1.047","","","","has coordinates,has disorder","187071","2020-10-21","18:00:00",""
"7040540","10.46454","0.0001","18.62602","0.00018","18.5228","0.0002","90","","92.093","0.0009","90","","3607.92","0.06","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H37 Cl O2 P Rh -","- C42 H37 Cl O2 P Rh -","- C168 H148 Cl4 O8 P4 Rh4 -","4","2","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0439","0.034","","","0.0763","0.0802","","","","","","1.06","","","","has coordinates,has disorder","188128","2020-10-21","18:00:00",""
"7040541","9.6917","0.00006","17.44304","0.00012","20.04701","0.00013","90","","90.6504","0.0006","90","","3388.78","0.04","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H39 Cl O3 P Rh -","- C43 H39 Cl O3 P Rh -","- C172 H156 Cl4 O12 P4 Rh4 -","4","2","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","x-ray","0.71073","MoKα","","0.0401","0.0344","","","0.0845","0.0877","","","","","","1.059","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040542","11.5925","0.0009","21.8177","0.0011","14.4054","0.0011","90","","111.477","0.008","90","","3390.5","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C71 H53 Cl11 O4 P2 Pd -","- C71 H53 Cl11 O4 P2 Pd -","- C142 H106 Cl22 O8 P4 Pd2 -","2","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0608","0.0455","","","0.081","0.0892","","","","","","1.033","","","","has coordinates,has disorder","188128","2020-10-21","18:00:00",""
"7040544","11.2896","0.0001","20.94262","0.00017","14.09792","0.00013","90","","101.713","0.0008","90","","3263.82","0.05","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H54 Cl2 O6 P2 Pd -","- C70 H54 Cl2 O6 P2 Pd -","- C140 H108 Cl4 O12 P4 Pd2 -","2","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","1.54184","CuKα","","0.0329","0.0293","","","0.069","0.071","","","","","","1.035","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040556","9.085","0.002","13.921","0.004","10.159","0.003","90","","115.178","0.005","90","","1162.8","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Co Cr N2 O14 -","- C17 H27 Co Cr N2 O14 -","- C34 H54 Co2 Cr2 N4 O28 -","2","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71073","MoKα","","0.0939","0.0812","","","0.151","0.1578","","","","","","1.085","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040557","8.75","0.005","13.866","0.005","10.267","0.005","90","0.005","113.271","0.005","90","0.005","1144.3","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cr N2 O14 Zn -","- C17 H27 Cr N2 O14 Zn -","- C34 H54 Cr2 N4 O28 Zn2 -","2","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71069","MoKα","","0.0537","0.0394","","","0.0794","0.0854","","","","","","1.005","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040558","9.039","0.005","13.961","0.007","10.216","0.006","90","","114.888","0.009","90","","1169.5","1.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cr N2 O14 Zn -","- C17 H27 Cr N2 O14 Zn -","- C34 H54 Cr2 N4 O28 Zn2 -","2","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71073","MoKα","","0.0575","0.048","","","0.0884","0.0917","","","","","","0.99","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040584","10.7278","0.0003","14.7418","0.0003","13.2364","0.0003","90","","107.779","0.002","90","","1993.32","0.09","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H26 Mo5 N6 O28 P2 Rb4 -","- C14 Mo5 N6 O28 P2 Rb4 -","- C28 Mo10 N12 O56 P4 Rb8 -","2","1","","Schönweiz, S; Knoll, S.; Anjass, M.; Braumüller, M; Rau, S.; Streb, C.","""CLICKable"" azide-functionalized phosphonates for the surface-modification of molecular and solid-state metal oxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16121","16124","10.1039/c6dt03370a","","x-ray","0.71073","MoKα","","0.0513","0.0465","","","0.1147","0.1188","","","","","","1.038","","","","has coordinates,has disorder","188152","2020-10-21","18:00:00",""
"7040835","18.6928","0.0008","22.4646","0.0007","21.6484","0.0008","90","","94.336","0.003","90","","9064.7","0.6","220","2","220","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C91 H81 B2 F6 N8 P Ru -","- C91 H81 B2 F6 N8 P Ru -","- C364 H324 B8 F24 N32 P4 Ru4 -","4","2","","Cooke, Michael W.; Santoni, Marie-Pierre; Hasenknopf, Bernold; Hanan, Garry S.","Heteroleptic ruthenium(ii) chromophores based on tunable polytopic 4'-(benzamidinato)-2,2':6',2''-terpyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17850","17858","10.1039/c6dt03169b","","","1.54178","CuKα","","0.1058","0.0647","","","0.1421","0.1564","","","","","","0.857","","","","has coordinates","190168","2020-10-21","18:00:00",""
"7040936","10.2779","0.0002","11.6313","0.0002","17.0381","0.0003","90","","105.777","0.002","90","","1960.09","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl2 Fe -","- C22 H28 Cl2 Fe -","- C88 H112 Cl8 Fe4 -","4","2","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","0.71073","MoKα","","0.0534","0.0447","","","0.102","0.1072","","","","","","1.058","","","","has coordinates","190205","2020-10-21","18:00:00",""
"7040957","4.4701","0.0014","17.557","0.006","8.4","0.003","90","","93.512","0.003","90","","658","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","AG2btm","","- C5 H16 N16 -","- C5 H16 N16 -","- C10 H32 N32 -","2","1","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0441","0.0342","","","0.0558","0.0603","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7040963","15.428","0.003","15","0.003","20.388","0.005","90","","90.678","0.006","90","","4717.9","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H121 N2 O37 Sm Ti11 -","- C51 N2 O37 Sm Ti11 -","- C102 N4 O74 Sm2 Ti22 -","2","1","","Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17681","17686","10.1039/c6dt03034c","","","0.71075","MoKα","","0.0935","0.0806","","","0.1568","0.1631","","","","","","1.196","","","","has coordinates","190173","2020-10-21","18:00:00",""
"7040964","15.526","0.003","15.035","0.003","20.443","0.004","90","","90.31","0.03","90","","4772","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H119 Eu N2 O39 Ti11 -","- C51 Eu N2 O37 Ti11 -","- C102 Eu2 N4 O74 Ti22 -","2","1","","Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17681","17686","10.1039/c6dt03034c","","","0.71073","MoKα","","0.1322","0.0888","","","0.1648","0.1826","","","","","","1.189","","","","has coordinates","190173","2020-10-21","18:00:00",""
"7040965","15.393","0.005","15.023","0.004","20.366","0.006","90","","90.753","0.007","90","","4709","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H121 Gd N2 O37 Ti11 -","- C51 Gd N2 O37 Ti11 -","- C102 Gd2 N4 O74 Ti22 -","2","1","","Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17681","17686","10.1039/c6dt03034c","","","0.71075","MoKα","","0.0861","0.0683","","","0.139","0.1475","","","","","","1.114","","","","has coordinates","190173","2020-10-21","18:00:00",""
"7041006","11.0327","0.0003","14.2185","0.0003","11.9259","0.0004","90","","95.618","0.002","90","","1861.81","0.09","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 N6 Ni O8 S2 -","- C34 H36 N6 Ni O8 S2 -","- C68 H72 N12 Ni2 O16 S4 -","2","1","","Suckert, Stefan; Rams, Michał; Böhme, Michael; Germann, Luzia S.; Dinnebier, Robert E.; Plass, Winfried; Werner, Julia; Näther, Christian","Synthesis, structures, magnetic, and theoretical investigations of layered Co and Ni thiocyanate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18190","18201","10.1039/c6dt03752f","","","0.71073","MoKα","","0.034","0.0305","","","0.0754","0.0767","","","","","","1.064","","","","has coordinates,has disorder","190151","2020-10-21","18:00:00",""
"7041116","14.05","0.006","23.03","0.005","16.094","0.004","90","","90.751","0.005","90","","5207","3","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C57 H47 F6 Fe N4 O6.5 P2 Ru S2 -","- C57 H47 F6 Fe N4 O6.5 P2 Ru S2 -","- C228 H188 F24 Fe4 N16 O26 P8 Ru4 S8 -","4","2","","Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J","Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19127","19140","10.1039/c6dt03591d","","","0.71073","MoKα","","0.0353","0.0297","","","0.0643","0.0672","","","","","","1.021","","","","has coordinates,has disorder","190202","2020-10-21","18:00:00",""
"7041180","10.0391","0.0013","16.249","0.002","18.799","0.002","90","","99.547","0.002","90","","3024.1","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","2","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0964","0.0505","","","0.0832","0.0967","","","","","","0.996","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041183","10.1586","0.0004","16.4188","0.0007","18.953","0.0008","90","","99.382","0.001","90","","3118.9","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","2","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0226","0.02","","","0.045","0.0486","","","","","","0.89","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041202","10.6527","0.0016","18.415","0.002","14.174","0.002","90","","101.825","0.003","90","","2721.5","0.6","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N4 O2 Pt -","- C28 H40 N4 O2 Pt -","- C112 H160 N16 O8 Pt4 -","4","2","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.0782","0.0512","","","0.0735","0.0803","","","","","","1.013","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041390","10.2603","0.0018","17.719","0.002","10.385","0.002","90","","105.514","0.015","90","","1819.2","0.5","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","TrophosNiBr","TriphosNiBr","","- C40 H39 Br Ni P3 Si -","- C40 H39 Br Ni P3 Si -","- C80 H78 Br2 Ni2 P6 Si2 -","2","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.045","0.0335","","","0.0668","0.0692","","","","","","0.882","","","","has coordinates","191645","2020-10-21","18:00:00",""
"7041427","11.453","0.001","7.2953","0.0006","27.575","0.002","90","","97.317","0.008","90","","2285.2","0.3","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 B10 -","- C23 H28 B10 -","- C92 H112 B40 -","4","2","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","","1.54178","CuKα","","0.1092","0.098","","","0.2676","0.2813","","","","","","1.05","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041595","9.166","0.0005","16.3269","0.0008","9.5017","0.0005","90","","115.576","0.003","90","","1282.62","0.12","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H25 Au Cl O4 P -","- C28 H25 Au Cl O4 P -","- C56 H50 Au2 Cl2 O8 P2 -","2","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","0.71073","MoKα","","0.0708","0.0532","","","0.1112","0.1219","","","","","","0.905","","","","has coordinates","191602","2020-10-21","18:00:00",""
"7041596","9.4544","0.0004","15.4951","0.0006","12.6849","0.0005","90","","109.946","0.0016","90","","1746.82","0.12","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 N O4 P Pd -","- C38 H37 Cl3 N O4 P Pd -","- C76 H74 Cl6 N2 O8 P2 Pd2 -","2","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","0.71073","MoKα","","0.0656","0.0493","","","0.1081","0.1181","","","","","","1.024","","","","has coordinates","191602","2020-10-21","18:00:00",""
"7041597","10.97","0.0001","19.8122","0.0002","12.5607","0.0001","90","","108.499","0.0006","90","","2588.89","0.04","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H50 Cl4 O8 P2 Pd2 -","- C57 H50 Cl4 O8 P2 Pd2 -","- C114 H100 Cl8 O16 P4 Pd4 -","2","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","1.54178","CuKα","","0.034","0.0325","","","0.0816","0.0829","","","","","","1.063","","","","has coordinates,has disorder","191602","2020-10-21","18:00:00",""
"7041627","12.80666","0.00009","41.3809","0.0002","13.17067","0.00013","90","","90.2126","0.0007","90","","6979.76","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H39 F Si Sn3 -","- C33 H39 F Si Sn3 -","- C264 H312 F8 Si8 Sn24 -","8","4","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0394","0.0376","","","0.0937","0.0955","","","","","","1.022","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041737","11.3921","0.0004","10.0553","0.0004","16.8141","0.0007","90","","98.477","0.002","90","","1905.03","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","trp121813","trp121813","","- C35 H54 B Cu N7 O3 -","- C35 H54 B Cu N7 O3 -","- C70 H108 B2 Cu2 N14 O6 -","2","1","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0976","0.0738","","","0.1592","0.1712","","","","","","1.08","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041770","9.62226","0.00018","14.66422","0.00019","12.5895","0.0002","90","","99.8129","0.0018","90","","1750.43","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 F7 K O6 Si3 -","- C28 H42 F7 K O6 Si3 -","- C56 H84 F14 K2 O12 Si6 -","2","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.0476","0.0466","","","0.1284","0.1299","","","","","","1.032","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041774","9.6707","0.0003","14.7072","0.0003","12.2271","0.0003","90","","100.137","0.003","90","","1711.9","0.08","99.93","0.16","99.93","0.16","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 F7 K O6 Si3 -","- C28 H38 F7 K O6 Si3 -","- C56 H76 F14 K2 O12 Si6 -","2","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.0478","0.0425","","","0.1072","0.1116","","","","","","1.038","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041809","12.7112","0.0007","22.4182","0.0011","13.1902","0.0007","90","","106.398","0.0016","90","","3605.8","0.3","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C64 H84 Au2 F12 N8 O5 P2 -","- C64 H84 Au2 F12 N8 O5 P2 -","- C128 H168 Au4 F24 N16 O10 P4 -","2","1","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0205","0.0186","","","0.0365","0.0369","","","","","","1.111","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7041844","12.0585","0.0003","15.7116","0.0005","12.5776","0.0004","90","","103.98","0.003","90","","2312.35","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H87 Cr2 N6 Na3 -","- C37 H87 Cr2 N6 Na3 -","- C74 H174 Cr4 N12 Na6 -","2","1","","Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E.","Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5650","5659","10.1039/c6dt04644d","","","0.71073","MoKα","","0.0308","0.0282","","","0.065","0.0667","","","","","","1.02","","","","has coordinates","196392","2020-10-21","18:00:00",""
"7041914","9.6591","0.0003","15.9975","0.0004","10.4363","0.0003","90","","97.225","0.003","90","","1599.83","0.08","298","2","297.9","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H42 Cu N4 O4 -","- C35 H42 Cu N4 O4 -","- C70 H84 Cu2 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","","0.71073","MoKα","","0.0401","0.0361","","","0.0917","0.0954","","","","","","1.036","","","","has coordinates","193783","2020-10-21","18:00:00",""
"7041917","14.9282","0.0003","5.14524","0.00008","19.5488","0.0003","90","","98.3145","0.0016","90","","1485.74","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N4 O2 -","- C35 H40 N4 O2 -","- C70 H80 N8 O4 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","x-ray","1.54184","CuKα","","0.0568","0.0527","","","0.1409","0.1463","","","","","","1.021","","","","has coordinates,has disorder","193783","2020-10-21","18:00:00",""
"7042071","12.3","0.002","27.928","0.005","12.784","0.003","90","","106.028","0.002","90","","4220.8","1.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","16212_Complex-2-H","","","- C42 H64 Ga N4 P3 Rh -","- C42 H64 Ga N4 P3 Rh -","- C168 H256 Ga4 N16 P12 Rh4 -","4","2","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0598","0.0647","","","","","","0.986","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042181","7.944","0.008","26.47","0.02","11.313","0.011","90","","93.73","0.04","90","","2374","4","150.01","","150.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H32 Fe2 O8 P2 -","- C48 H32 Fe2 O8 P2 -","- C96 H64 Fe4 O16 P4 -","2","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.1451","0.1106","","","0.2733","0.2961","","","","","","0.982","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042208","11.6216","0.0006","15.5037","0.001","19.9185","0.0012","90","","92.902","0.002","90","","3584.3","0.4","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","NiDPhP","","","- C46 H36 N2 Ni O2 -","- C46 H36 N2 Ni O2 -","- C184 H144 N8 Ni4 O8 -","4","2","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.0406","0.0378","","","0.0951","0.0963","","","","","","1.125","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042238","8.936","0.004","13.151","0.006","9.486","0.003","90","","116.655","0.014","90","","996.3","0.7","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H14 Hg2 I4 N2 O -","- C10 H14 Hg2 I4 N2 O -","- C20 H28 Hg4 I8 N4 O2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0449","0.0415","","","0.0948","0.0961","","","","","","1.051","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042299","10.143","0.006","9.381","0.005","17.036","0.009","90","","96.513","0.008","90","","1610.5","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 Cl3 N4 Ni O4 -","- C37 H33 Cl3 N4 Ni O4 -","- C74 H66 Cl6 N8 Ni2 O8 -","2","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.1096","0.082","","","0.177","0.1915","","","","","","1.053","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042300","11.0422","0.0014","7.6034","0.001","15.9516","0.0019","90","","100.367","0.003","90","","1317.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl3 N3 Ni O3 -","- C27 H22 Cl3 N3 Ni O3 -","- C54 H44 Cl6 N6 Ni2 O6 -","2","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.0453","0.0401","","","0.0866","0.089","","","","","","0.994","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042333","11.7053","0.0017","19.13","0.003","11.7373","0.0017","90","","114.655","0.002","90","","2388.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Co N5 O -","- C28 H26 Co N5 O -","- C112 H104 Co4 N20 O4 -","4","2","","Kurokawa, Masashi; Jose-Larong, Judy Fe F; Hasegawa, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and transport properties of neutral radical crystals of Co(III)(tmp)(CN)2 (tmp = 5,10,15,20-tetramethylporphyrinato) and the CN-bridged polymer [Co(III)(tmp)(CN)]n.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4422","4429","10.1039/c6dt04418b","","","0.71073","MoKα","","0.1024","0.0698","","","0.1434","0.1581","","","","","","1.084","","","","has coordinates,has disorder","195086","2020-10-21","18:00:00",""
"7042362","13.02","0.003","10.104","0.002","17.315","0.003","90","","103.54","0.02","90","","2214.5","0.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H72 N2 O2 Zn2 -","- C46 H72 N2 O2 Zn2 -","- C92 H144 N4 O4 Zn4 -","2","1","","Jędrzkiewicz, D; Kantorska, D.; Wojtaszak, J.; Ejfler, J.; Szafert, S.","DFT calculations as a ligand toolbox for the synthesis of active initiators for ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4929","4942","10.1039/c7dt00394c","","","0.71073","MoKα","","0.0647","0.0613","","","0.1508","0.1556","","","","","","1.07","","","","has coordinates","196469","2020-10-21","18:00:00",""
"7042472","14.4244","0.0002","16.8423","0.0003","16.8318","0.0003","90","","109.014","0.002","90","","3866.01","0.12","150.1","0.5","150.1","0.5","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C73 H67 B Cl F24 Mo2 N O2 P2 S -","- C73 H67 B Cl F24 Mo2 N O2 P2 S -","- C146 H134 B2 Cl2 F48 Mo4 N2 O4 P4 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.0627","0.0583","","","0.1547","0.1607","","","","","","1.045","","","","has coordinates,has disorder","194245","2020-10-21","18:00:00",""
"7042524","10.948","0.01","11.885","0.011","16.734","0.015","90","","91.091","0.015","90","","2177","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H31 Cu N5 O2 -","- C19 H31 Cu N5 O2 -","- C76 H124 Cu4 N20 O8 -","4","2","","Lan, Xue; Tominaga, Takumi; Mochida, Tomoyuki","Coordination abilities of polycyano anions in the solid state: coordination geometries and d-d transition energies of mixed-ligand solvatochromic copper(ii) complexes with B(CN)4, C(CN)3, and N(CN)2 anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5041","5047","10.1039/c7dt00675f","","","0.71073","MoKα","","0.0504","0.0486","","","0.1232","0.1269","","","","","","1.091","","","","has coordinates,has disorder","196456","2020-10-21","18:00:00",""
"7042581","9.9021","0.0003","19.5151","0.0009","14.0811","0.0006","90","","99.519","0.002","90","","2683.57","0.19","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H50 Ag B F4 N2 P4 -","- C60 H50 Ag B F4 N2 P4 -","- C120 H100 Ag2 B2 F8 N4 P8 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71073","MoKα","","0.1098","0.0755","","","0.1198","0.13","","","","","","1.049","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042584","17.5123","0.0005","18.1004","0.0006","18.1084","0.0005","90","","92.118","0.002","90","","5736.1","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C114 H96 Br2 Cu6 O41 P4 Zn2 -","- C114 H90 Br2 Cu6 O41 P4 Zn2 -","- C228 H180 Br4 Cu12 O82 P8 Zn4 -","2","1","","Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.","Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5260","5268","10.1039/c7dt00594f","","","1.54184","CuKα","","0.0916","0.0754","","","0.1853","0.2074","","","","","","1.031","","","","has coordinates","196427","2020-10-21","18:00:00",""
"7042628","8.7336","0.0007","15.7594","0.0012","11.7574","0.0009","90","","111.126","0.003","90","","1509.5","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H16 Co F12 N3 O6 P -","- C25 H16 Co F12 N3 O6 P -","- C50 H32 Co2 F24 N6 O12 P2 -","2","1","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.0849","0.0484","","","0.082","0.091","","","","","","1.033","","","","has coordinates","194718","2020-10-21","18:00:00",""
"7042648","20.2507","0.0007","16.3807","0.0006","20.7092","0.0008","90","","115.848","0.001","90","","6182.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C110 H117 Br8 Mn8 N12 Na2 O26.5 -","- C110 H114 Br8 Mn8 N12 Na2 O26.5 -","- C220 H228 Br16 Mn16 N24 Na4 O53 -","2","1","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.0545","0.0361","","","0.0762","0.0859","","","","","","0.963","","","","has coordinates","291143","2024-04-09","08:48:39",""
"7042725","17.5649","0.0009","19.2624","0.001","26.7346","0.0012","90","","100.137","0.002","90","","8904.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 Eu4 N8 O34 -","- C201 H190 Eu4 N8 O34 -","- C402 H380 Eu8 N16 O68 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.0596","0.0283","","","0.0457","0.0493","","","","","","0.941","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7042726","17.6062","0.0011","19.2507","0.0012","26.6339","0.0015","90","","99.98","0.002","90","","8890.5","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 N8 O34 Tb4 -","- C201 H190 N8 O34 Tb4 -","- C402 H380 N16 O68 Tb8 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.0613","0.0427","","","0.0818","0.0887","","","","","","1.015","","","","has coordinates,has disorder","195613","2020-10-21","18:00:00",""
"7042727","17.5789","0.001","19.2932","0.0011","26.7404","0.0013","90","","99.993","0.002","90","","8931.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 Eu4 N8 O34 -","- C201 H190 Eu4 N8 O34 -","- C402 H380 Eu8 N16 O68 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.041","0.0317","","","0.0655","0.0694","","","","","","1.027","","","","has coordinates,has disorder","195613","2020-10-21","18:00:00",""
"7042728","17.5693","0.0009","19.2449","0.001","26.629","0.0013","90","","99.938","0.002","90","","8868.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 N8 O34 Tb4 -","- C201 H190 N8 O34 Tb4 -","- C402 H380 N16 O68 Tb8 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.0465","0.0394","","","0.0851","0.0886","","","","","","1.05","","","","has coordinates,has disorder","195613","2020-10-21","18:00:00",""
"7042747","9.9418","0.0003","28.5201","0.0008","10.9256","0.0003","90","","102.641","0.002","90","","3022.77","0.15","240","2","240","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H75 F N5 O0.5 S3 Zr -","- C59 H75 F N5 O0.5 S3 Zr -","- C118 H150 F2 N10 O S6 Zr2 -","2","1","","Otero, Antonio; fernandez, juan; garces, andres; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; lara, agustin; martinez-Ferrer, Jaime; Carrion, Maria Prado; Rodríguez, Ana María","Highly Thermally Stable and Robust Enantiopure NNN-Scorpionate Zirconium Initiators for the Controlled Ring-Opening Polymerization of rac-Lactide","Dalton Trans.","2017","","","","","10.1039/C7DT01050H","","","0.71073","MoKα","","0.1801","0.0835","","","0.1764","0.2288","","","","","","0.957","","","","has coordinates,has disorder","195648","2020-10-21","18:00:00",""
"7042815","14.2435","0.0003","17.6941","0.0006","25.672","0.0007","90","","103.152","0.002","90","","6300.3","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C139 H118 Cl10 Fe4 N16 O5 -","- C139 H118 Cl10 Fe4 N16 O5 -","- C278 H236 Cl20 Fe8 N32 O10 -","2","1","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0639","0.0537","","","0.1372","0.1468","","","","","","1.016","","","","has coordinates,has disorder","195773","2020-10-21","18:00:00",""
"7042968","20.3943","0.0003","19.343","0.0002","28.449","0.0004","90","","110.479","0.0006","90","","10513.5","0.2","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C137 H294 Bi2 N11 O73 Si2 W20 -","- C137 H294 Bi2 N11 O73 Si2 W20 -","- C274 H588 Bi4 N22 O146 Si4 W40 -","2","1","","Hanaya, Takumi; Suzuki, Kosuke; Sato, Rinta; Yamaguchi, Kazuya; Mizuno, Noritaka","Creation of bismuth‒tungsten oxide nanoclusters using lacunary polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01587A","","","0.71069","MoKα","","0.0534","0.0455","","","0.1168","0.1248","","","","","","1.058","","","","has coordinates","196725","2020-10-21","18:00:00",""
"7043043","7.5623","0.0009","6.3355","0.0006","13.6245","0.0015","90","","104.307","0.003","90","","632.52","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Cu F N3 O3 -","- C10 H12 Cu F N3 O3 -","- C20 H24 Cu2 F2 N6 O6 -","2","1","","Liu, Xiangyu; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Zhang, Chengcheng; Shi, Quan; Song, Weiming; Xie, Gang; Chen, Sanping","Substituent effect of phenylacetic acid coligands perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01338H","","","0.71073","MoKα","","0.0788","0.0424","","","0.0566","0.0629","","","","","","1.022","","","","has coordinates,has disorder","196784","2020-10-21","18:00:00",""
"7043044","7.6149","0.0018","6.433","0.0015","13.355","0.003","90","","99.363","0.003","90","","645.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Cu F N3 O3 -","- C10 H12 Cu F N3 O3 -","- C20 H24 Cu2 F2 N6 O6 -","2","1","","Liu, Xiangyu; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Zhang, Chengcheng; Shi, Quan; Song, Weiming; Xie, Gang; Chen, Sanping","Substituent effect of phenylacetic acid coligands perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01338H","","","0.71073","MoKα","","0.0702","0.042","","","0.089","0.099","","","","","","1.011","","","","has coordinates","196784","2020-10-21","18:00:00",""
"7043056","12.2144","0.0007","10.5575","0.0006","13.2353","0.0008","90","","93.958","0.001","90","","1702.67","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl6 N2 O P Rh -","- C35 H34 Cl6 N2 O P Rh -","- C70 H68 Cl12 N4 O2 P2 Rh2 -","2","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0722","0.0652","","","0.1659","0.1729","","","","","","1.107","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043123","7.2301","0.0002","10.3586","0.0002","10.5707","0.0003","90","","103.465","0.003","90","","769.92","0.04","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H22 Ni S2 Se2 -","- C11 H22 Ni S2 Se2 -","- C22 H44 Ni2 S4 Se4 -","2","1","","Gezer, Gamze; Durán Jiménez, Dinesh; Siegler, Maxime A.; Bouwman, Elisabeth","Electrocatalytic Proton Reduction by a Model for [NiFeSe] Hydrogenases","Dalton Trans.","2017","","","","","10.1039/C7DT00972K","","","0.71073","MoKα","","0.023","0.0215","","","0.0486","0.0495","","","","","","1.041","","","","has coordinates","196990","2020-10-21","18:00:00",""
"7043232","6.51","0.0004","20.4228","0.0008","6.6513","0.0005","90","","119.029","0.009","90","","773.21","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B11 Ca2 H7 O22 -","- B11 Ca2 H7 O22 -","- B22 Ca4 H14 O44 -","2","1","","Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie","Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01677H","","","0.71073","MoKα","","0.0403","0.0373","","","0.0995","0.1025","","","","","","1.087","","","","has coordinates","197197","2020-10-21","18:00:00",""
"7043248","10.6927","0.0008","18.9465","0.0014","21.1599","0.0016","90","","92.965","0.001","90","","4281","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O12 Pt2 -","- C24 H30 N4 O12 Pt2 -","- C144 H180 N24 O72 Pt12 -","6","3","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.03","0.0247","","","0.052","0.0538","","","","","","0.934","","","","has coordinates,has disorder","197550","2020-10-21","18:00:00",""
"7043324","7.6214","0.0002","17.218","0.0004","9.433","0.0002","90","","92.38","0.0017","90","","1236.78","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","cyclophosphazene","","","- C24 H20 Cl2 N3 O2 P3 -","- C24 H20 Cl2 N3 O2 P3 -","- C48 H40 Cl4 N6 O4 P6 -","2","1","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.0445","0.0357","","","0.0696","0.0732","","","","","","1.052","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043354","11.8337","0.0003","38.6027","0.0009","14.755","0.0005","90","","90.519","0.003","90","","6740","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H47 Li N4 O5 Sn -","- C32 H47 Li N4 O5 Sn -","- C256 H376 Li8 N32 O40 Sn8 -","8","4","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0793","0.0588","","","0.1057","0.1134","","","","","","1.072","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043429","7.201","0.0003","11.3494","0.0004","7.8693","0.0005","90","","115.502","0.007","90","","580.47","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl3 Nb S3 -","- C4 H10 Cl3 Nb S3 -","- C8 H20 Cl6 Nb2 S6 -","2","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0179","0.0175","","","0.0423","0.0425","","","","","","1.059","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043431","7.2513","0.0005","13.0295","0.0006","9.8715","0.0007","90","","108.075","0.007","90","","886.64","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H6 Cl3 Nb S2 -","- C2 H6 Cl3 Nb S2 -","- C8 H24 Cl12 Nb4 S8 -","4","2","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0424","0.036","","","0.0725","0.0745","","","","","","1.014","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043494","14.333","0.0008","8.356","0.0004","17.339","0.0009","90","","100.892","0.003","90","","2039.22","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H68 Cl N2 O3 V -","- C41 H68 Cl N2 O3 V -","- C82 H136 Cl2 N4 O6 V2 -","2","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.068","0.0441","","","0.0949","0.1011","","","","","","1.001","","","","has coordinates","198298","2020-10-21","18:00:00",""
"7043495","14.468","0.011","7.746","0.005","17.587","0.013","90","","112.27","0.02","90","","1824","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H58 Cl N2 O4 V -","- C37 H58 Cl N2 O4 V -","- C74 H116 Cl2 N4 O8 V2 -","2","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.2538","0.1199","","","0.2684","0.3221","","","","","","0.905","","","","has coordinates","198298","2020-10-21","18:00:00",""
"7043497","15.518","0.0011","23.521","0.001","21.827","0.001","90","","100.875","0.002","90","","7823.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H65 N2 O4 V -","- C40 H65 N2 O4 V -","- C320 H520 N16 O32 V8 -","8","4","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","","0.71073","MoKα","","0.0761","0.0492","","","0.0965","0.1046","","","","","","0.976","","","","has coordinates,has disorder","198298","2020-10-21","18:00:00",""
"7043530","9.0854","0.0009","18.1789","0.0019","13.8937","0.0015","90","","99.456","0.002","90","","2263.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H55 Au Cl O4 P -","- C52 H55 Au Cl O4 P -","- C104 H110 Au2 Cl2 O8 P2 -","2","1","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack","Calix[4]arene-fused phospholes","Dalton Trans.","2017","","","","","10.1039/C7DT01899A","","","0.71073","MoKα","","0.0808","0.0497","","","0.0756","0.0825","","","","","","1.023","","","","has coordinates,has disorder","198571","2020-10-21","18:00:00",""
"7043545","15.77282","0.00013","16.76061","0.00012","16.80269","0.00014","90","","91.5914","0.0007","90","","4440.28","0.06","99.95","0.1","99.95","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H44 B Co N7 O2 S -","- C50 H44 B Co N7 O2 S -","- C200 H176 B4 Co4 N28 O8 S4 -","4","2","","Fischer, Anne A.; Lindeman, Sergey V.; Fiedler, Adam T.","Spectroscopic and computational studies of reversible O2 binding by a cobalt complex of relevance to cysteine dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt01600j","","x-ray","1.54184","CuKα","","0.0613","0.0489","","","0.1354","0.1566","","","","","","1.091","","","","has coordinates,has disorder","198585","2020-10-21","18:00:00",""
"7043633","11.679","0.003","8.898","0.002","16.062","0.004","90","","91.789","0.005","90","","1668.3","0.7","113","2","113.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Br2 Cl2 N Ni P2 -","- C33 H31 Br2 Cl2 N Ni P2 -","- C66 H62 Br4 Cl4 N2 Ni2 P4 -","2","1","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.054","0.0401","","","0.0533","0.0583","","","","","","0.817","","","","has coordinates,has disorder","198743","2020-10-21","18:00:00",""
"7043703","10.9194","0.0002","10.6543","0.0002","16.9439","0.0004","90","","99.216","0.002","90","","1945.78","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H58 Hf N4 O4 -","- C39 H58 Hf N4 O4 -","- C78 H116 Hf2 N8 O8 -","2","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0301","0.027","","","0.0581","0.0602","","","","","","1.001","","","","has coordinates","198814","2020-10-21","18:00:00",""
"7043705","11.0439","0.0003","10.3438","0.0003","17.724","0.0005","90","","99.103","0.003","90","","1999.22","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H60 N4 O4 Zr -","- C40 H60 N4 O4 Zr -","- C80 H120 N8 O8 Zr2 -","2","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0466","0.04","","","0.0712","0.0757","","","","","","1.002","","","","has coordinates","198814","2020-10-21","18:00:00",""
"7043706","11.0152","0.00014","10.33345","0.00014","17.7349","0.0002","90","","99.2001","0.0013","90","","1992.71","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H60 Hf N4 O4 -","- C40 H60 Hf N4 O4 -","- C80 H120 Hf2 N8 O8 -","2","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0266","0.0245","","","0.0511","0.0523","","","","","","1.006","","","","has coordinates","198814","2020-10-21","18:00:00",""
"7043825","13.9452","0.0006","15.3362","0.0005","21.8663","0.0008","90","","89.343","0.003","90","","4676.2","0.3","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88.5 H118.5 Cu4 N8 O25 -","- C88.5 H118.5 Cu4 N8 O25 -","- C177 H237 Cu8 N16 O50 -","2","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.0592","0.0504","","0.0681","0.0565","0.0542","","","","","","1.0347","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043890","5.44","0.004","6.07","0.001","19.8","0.001","90","","94.836","0.011","90","","651.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O5 Zn -","- C10 H16 N2 O5 Zn -","- C20 H32 N4 O10 Zn2 -","2","1","","Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel","Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity","Dalton Trans.","2017","","","","","10.1039/C7DT02153D","","","0.82656","synchrotron","","0.0776","0.0721","","","0.1895","0.1966","","","","","","1.108","","","","has coordinates","199483","2020-10-21","18:00:00",""
"7043891","8.7","0.005","6.2","0.005","18.52","0.004","90","","98.09","0.005","90","","989","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H29 N3 O7 Zn -","- C16 H27 N3 O7 Zn -","- C32 H54 N6 O14 Zn2 -","2","1","","Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel","Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity","Dalton Trans.","2017","","","","","10.1039/C7DT02153D","","","0.89843","synchrotron","","0.255","0.1483","","","0.3049","0.4284","","","","","","0.654","","","","has coordinates","199483","2020-10-21","18:00:00",""
"7043902","10.665","0.002","15.178","0.003","11.98","0.002","90","","90.27","0.008","90","","1939.2","0.6","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","2","","Larionov, Stanislav V.; Bryleva, Yuliya; Glinskaya, Ludmila Alexsandrovna; Plyusnin, Victor F.; Kupryakov, Arkady S.; Agafontsev, Alexander; Tkachev, Alexey V.; Bogomyakov, Artem Stepanovich; Piryazev, Dmitry A.; Korolkov, Ilya V.","Ln(III) complexes (Ln = Eu, Gd, Tb, Dy) with chiral ligand containing 1,10-phenanthroline and (‒)-menthol fragments: synthesis, structure, magnetic properties and photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT01536D","","","0.71073","MoKα","","0.0614","0.052","","","0.1309","0.1369","","","","","","1.035","","","","has coordinates","199488","2020-10-21","18:00:00",""
"7043981","16.5547","0.0003","15.1382","0.0002","21.5926","0.0003","90","","90.122","0.002","90","","5411.27","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H76 Br10 N4 Re2 -","- C36 H76 Br10 N4 Re2 -","- C144 H304 Br40 N16 Re8 -","4","2","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.","Dalton Trans.","2017","","","","","10.1039/C7DT02612A","","x-ray","0.71073","MoKα","","0.0798","0.0448","","","0.0698","0.0769","","","","","","0.96","","","","has coordinates,has disorder","199789","2020-10-21","18:00:00",""
"7044030","8.64296","0.00015","8.32174","0.00017","24.604","0.0005","90","","90.6569","0.0017","90","","1769.51","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H27 Cu N3 O7 -","- C11 H27 Cu N3 O7 -","- C44 H108 Cu4 N12 O28 -","4","2","","Kuzmina, Olga; Hassan, Hasyareeda; Patel, Laura; Ashworth, Claire; Bakis, Eduards; White, Andrew J. P.; Hunt, Patricia; Welton, Tom","The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02372C","","","0.71073","MoKα","","0.0395","0.028","","","0.0577","0.0594","","","","","","0.931","","","","has coordinates,has disorder","199919","2020-10-21","18:00:00",""
"7044045","10.4071","0.0012","15.6408","0.0018","11.4503","0.0013","90","","100.837","0.002","90","","1830.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 Mg O4 -","- C38 H62 Mg O4 -","- C76 H124 Mg2 O8 -","2","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0422","0.036","","","0.0864","0.0904","","","","","","1.027","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044212","7.9112","0.0016","22.934","0.005","17.831","0.004","90","","97.773","0.003","90","","3205.4","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","cpd 1","","- C112 H148 N20 O36 Zn4 -","- C112 H143.251 N20 O36.02 Zn4 -","- C112 H143.251 N20 O36.02 Zn4 -","1","0.5","","Tseng, Tien-Wen; Lee, Li-Wei; Luo, Tzuoo-Tsair; Chien, Po-Hsiu; Wang, Chih-Min; Liu, Yen-Hsiang; Lee, Sheng-Long; Kuang-Lieh, Lu","Gate-Opening upon CO2 Adsorption on a Metal-Organic Framework That Mimics a Natural Stimuli-Response System","Dalton Trans.","2017","","","","","10.1039/C7DT03119J","","","0.71073","MoKα","","0.1052","0.0643","","","0.1586","0.19","","","","","","1.052","","","","has coordinates","200873","2020-10-21","18:00:00",""
"7044237","6.5331","0.0008","11.7969","0.0016","10.8497","0.0015","90","","91.742","0.005","90","","835.8","0.19","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro-(dimethylamino-(thieno[2,3-b]thiophen-2-yl)-carbene)-tetracarbonyl-rhenium","","- C13 H9 Cl N O4 Re S2 -","- C13 H9 Cl N O4 Re S2 -","- C26 H18 Cl2 N2 O8 Re2 S4 -","2","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0574","0.0354","","","0.0565","0.0623","","","","","","0.94","","","","has coordinates,has disorder","200951","2020-10-21","18:00:00",""
"7044300","9.8297","0.0002","19.9918","0.0003","17.9909","0.0003","90","","102.924","0.001","90","","3445.89","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H41.4 Cl4 N5 O U -","- C31 H41.4 Cl4 N5 O U -","- C124 H165.6 Cl16 N20 O4 U4 -","4","2","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.0268","0.0227","","","0.0553","0.0568","","","","","","1.038","","","","has coordinates,has disorder","201160","2020-10-21","18:00:00",""
"7044321","12.2584","0.0003","14.4597","0.0003","19.1968","0.0005","90","","96.589","0.002","90","","3380.21","0.14","110","2","110","2","","","","","","","no","6","P 1 21 1","P 2yb","4","no","salt of thioindigo radical anions with cryptand[2,2,2] sodium","","- C34 H44 N2 Na O8 S2 -","- C34 H44 N2 Na O8 S2 -","- C136 H176 N8 Na4 O32 S8 -","4","2","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Fatalov, Alexey M.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Cis-thioindigo (TI) ‒ a new ligand with accessible radical anion and dianion states. Strong magnetic coupling in the {[TI-(μ2-O),(μ-O)] Cp*Cr}2 dimers.","Dalton Trans.","2017","","","","","10.1039/C7DT02878D","","x-ray","0.71073","MoKα","","0.0568","0.0401","","","0.0801","0.0884","","","","","","1.028","","","","has coordinates,has disorder","201291","2020-10-21","18:00:00",""
"7044398","19.4905","0.0005","7.7502","0.0002","15.2759","0.0004","90","","96.808","0.002","90","","2291.23","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 B F4 N2 O3 P -","- C20 H34 B F4 N2 O3 P -","- C80 H136 B4 F16 N8 O12 P4 -","4","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","1.54178","CuKα","","0.0816","0.0713","","","0.1938","0.2058","","","","","","1.036","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044400","10.2699","0.0004","18.0168","0.0006","15.4569","0.0005","90","","103.602","0.004","90","","2779.79","0.17","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H40 Cl3 N2 O4 P Pt -","- C23 H40 Cl3 N2 O4 P Pt -","- C92 H160 Cl12 N8 O16 P4 Pt4 -","4","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","0.71073","MoKα","","0.0482","0.0392","","","0.0831","0.0898","","","","","","1.042","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044401","14.2214","0.0003","23.4406","0.0004","14.2488","0.0002","90","","93.025","0.001","90","","4743.34","0.14","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 B F4 N2 O4 P -","- C20 H34 B F4 N2 O4 P -","- C160 H272 B8 F32 N16 O32 P8 -","8","4","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","1.54178","CuKα","","0.0552","0.0527","","","0.1487","0.152","","","","","","1.041","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044402","8.4507","0.0002","32.6387","0.0006","12.2306","0.0003","90","","97.379","0.002","90","","3345.5","0.13","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl2 F4 N2 O6 P Rh -","- C27 H43 B Cl2 F4 N2 O6 P Rh -","- C108 H172 B4 Cl8 F16 N8 O24 P4 Rh4 -","4","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","0.71073","MoKα","","0.0301","0.0279","","","0.0581","0.0594","","","","","","1.048","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044572","10.0062","0.001","16.5247","0.0016","15.3223","0.0015","90","","100.251","0.003","90","","2493.1","0.4","304","2","304","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H63 Br3 Fe4 N2 S4 -","- C40 H63 Br3 Fe4 N2 S4 -","- C80 H126 Br6 Fe8 N4 S8 -","2","1","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.0442","0.0337","","","0.0766","0.0797","","","","","","0.997","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044583","10.7929","0.0008","12.48","0.0006","13.3567","0.001","90","","98.63","0.007","90","","1778.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H49 Cl2 N3 Pd -","- C36 H49 Cl2 N3 Pd -","- C72 H98 Cl4 N6 Pd2 -","2","1","","Chen, Ming-Tsz; Kao, Zing-Lun","Effect on Orthometallation of NHC Palladium Complexes toward the Catalytic Activity Studies in Suzuki Coupling Reaction","Dalton Trans.","2017","","","","","10.1039/C7DT03280C","","","0.71073","MoKα","","0.0613","0.0468","","","0.0792","0.0874","","","","","","1.029","","","","has coordinates","202442","2020-10-21","18:00:00",""
"7044584","10.776","0.0005","12.5569","0.0005","13.3141","0.0006","90","","98.3808","0.0017","90","","1782.33","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H51 Cl2 N3 Pd -","- C36 H51 Cl2 N3 Pd -","- C72 H102 Cl4 N6 Pd2 -","2","1","","Chen, Ming-Tsz; Kao, Zing-Lun","Effect on Orthometallation of NHC Palladium Complexes toward the Catalytic Activity Studies in Suzuki Coupling Reaction","Dalton Trans.","2017","","","","","10.1039/C7DT03280C","","","0.71073","MoKα","","0.0281","0.0236","","","0.048","0.0496","","","","","","1.039","","","","has coordinates","202442","2020-10-21","18:00:00",""
"7044641","15.6689","0.0004","12.3775","0.0003","36.7348","0.001","90","","91.665","0.001","90","","7121.4","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Br2 Ni2 O2 P2 -","- C36 H44 Br2 Ni2 O2 P2 -","- C288 H352 Br16 Ni16 O16 P16 -","8","4","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0509","0.0499","","","0.1324","0.1331","","","","","","1.041","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044755","10.6966","0.0004","10.6522","0.0009","16.6805","0.0009","90","","93.699","0.004","90","","1896.7","0.2","100","","100","","","","","","","","dichloromethane,acetonitrile","7","P 1 21 1","P 2yb","4","","","","- C34 H42 B2 Cl2 F11 N2 P -","- C34 H42 B2 Cl2 F11 N2 P -","- C68 H84 B4 Cl4 F22 N4 P2 -","2","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","0.71073","MoKα","","0.0396","0.037","","","0.0972","0.0998","","","","","","1.038","","","","has coordinates,has disorder","276360","2022-06-28","17:26:33",""
"7044796","9.9976","0.0012","17.7134","0.0019","11.8299","0.0014","90","","110.076","0.008","90","","1967.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H39.5 Dy N7.5 O16 -","- C34 H39.5 Dy N7.5 O16 -","- C68 H79 Dy2 N15 O32 -","2","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.0528","0.0416","","","0.094","0.0997","","","","","","1.054","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044895","10.7075","0.0005","12.7585","0.0005","13.032","0.0005","90","","112.884","0.001","90","","1640.2","0.12","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 N4 Ni O9 -","- C36 H28 N4 Ni O9 -","- C72 H56 N8 Ni2 O18 -","2","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","Assembly of a series of coordination polymers built from rigid a tetracarboxylate ligand and flexible bis(imidazole) linker: syntheses, structural diversities, luminescence sensing, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1202","1213","10.1039/c7dt03761a","","","0.71073","MoKα","","0.0373","0.0358","","","0.0876","0.0887","","","","","","1.038","","","","has coordinates,has disorder","229533","2020-10-21","18:00:00",""
"7044959","11.427","0.0002","14.7","0.0003","12.866","0.0003","90","","104.368","0.001","90","","2093.59","0.08","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H51 F6 N2 Ni O P2 -","- C44 H51 F6 N2 Ni O P2 -","- C88 H102 F12 N4 Ni2 O2 P4 -","2","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh3)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.0388","0.0324","","","0.0779","0.0815","","","","","","1.013","","","","has coordinates","230072","2020-10-21","18:00:00",""
"7045038","7.7482","0.0003","14.9473","0.0008","10.7812","0.0006","90","","97.987","0.004","90","","1236.51","0.11","98","","98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H42 Co N2 O P2 -","- C22 H42 Co N2 O P2 -","- C44 H84 Co2 N4 O2 P4 -","2","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Preparation and reactivity of a square-planar PNP cobalt(ii)-hydrido complex: isolation of the first {Co-NO}8-hydride.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1435","1441","10.1039/c7dt04339b","","x-ray","0.71073","MoKα","","0.0347","0.034","","","0.0782","0.0785","","","","","","1.094","","","","has coordinates","229449","2020-10-21","18:00:00",""
"7045039","10.6498","0.0004","15.2862","0.0005","15.6734","0.0006","90","","97.796","0.004","90","","2527.97","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H43 Co N O2 P2 -","- C23 H43 Co N O2 P2 -","- C92 H172 Co4 N4 O8 P8 -","4","2","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Preparation and reactivity of a square-planar PNP cobalt(ii)-hydrido complex: isolation of the first {Co-NO}8-hydride.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1435","1441","10.1039/c7dt04339b","","x-ray","0.71073","MoKα","","0.0487","0.0471","","","0.0937","0.0944","","","","","","1.094","","","","has coordinates","229449","2020-10-21","18:00:00",""
"7045113","9.7629","0.0004","16.3472","0.0004","10.4418","0.0004","90","","109.809","0.003","90","","1567.86","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H46.2 As Li N O2 -","- C32 H46.2 As Li N O2 -","- C64 H92.4 As2 Li2 N2 O4 -","2","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of alkali metal arsinoamides.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12521","12525","10.1039/c7dt04401a","","x-ray","0.71073","MoKα","","0.0873","0.0631","","","0.1519","0.1599","","","","","","0.937","","","","has coordinates,has disorder","229931","2020-10-21","18:00:00",""
"7045178","7.395","0.0003","11.3284","0.0006","12.5905","0.0009","90","","99.449","0.006","90","","1040.44","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Si -","- C26 H22 Si -","- C52 H44 Si2 -","2","1","","Żak, P; Bołt, M; Kubicki, M.; Pietraszuk, C.","Highly selective hydrosilylation of olefins and acetylenes by platinum(0) complexes bearing bulky N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1903","1910","10.1039/c7dt04392a","","x-ray","0.71073","MoKα","","0.0518","0.0413","","","0.0952","0.102","","","","","","1.026","","","","has coordinates","229603","2020-10-21","18:00:00",""
"7045213","9.64408","0.00012","8.0471","0.00009","21.6608","0.0002","90","","92.7335","0.0011","90","","1679.11","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 Fe O8 -","- C40 H34 Fe O8 -","- C80 H68 Fe2 O16 -","2","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","1.54184","CuKα","","0.042","0.0381","","","0.0961","0.1002","","","","","","1.018","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045278","9.7994","0.0004","10.2685","0.0004","15.0143","0.0005","90","","94.369","0.002","90","","1506.43","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(?6-Ethyl 2-acetamido-3-phenylpropanoate)RuIICl2]2","","- C26 H34 Cl4 N2 O6 Ru2 -","- C26 H34 Cl4 N2 O6 Ru2 -","- C52 H68 Cl8 N4 O12 Ru4 -","2","1","","Movassaghi, Sanam; Hanif, Muhammad; Holtkamp, Hannah U.; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Making organoruthenium complexes of 8-hydroxyquinolines more hydrophilic: impact of a novel l-phenylalanine-derived arene ligand on the biological activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2192","2201","10.1039/c7dt04451h","","x-ray","0.71073","MoKα","","0.0581","0.0362","","","0.0711","0.0805","","","","","","1.007","","","","has coordinates","229783","2020-10-21","18:00:00",""
"7045286","14.894","0.003","9.112","0.0018","25.58","0.005","90","","106.59","0.03","90","","3327.1","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H37 N O5 Ti -","- C19 H37 N O5 Ti -","- C114 H222 N6 O30 Ti6 -","6","3","","Kim, Euk Hyun; Lim, Min Hyuk; Lah, Myoung Soo; Koo, Sang Man","Synthesis and characterization of heteroleptic titanium MOCVD precursors for TiO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2415","2421","10.1039/c7dt04894g","","","0.7","synchrotron","","0.1574","0.1027","","","0.2858","0.3216","","","","","","1.066","","","","has coordinates","229793","2020-10-21","18:00:00",""
"7045358","11.8229","0.0003","6.6869","0.0001","16.5376","0.0004","90","","91.272","0.002","90","","1307.12","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Cl N2 Si -","- C27 H37 Cl N2 Si -","- C54 H74 Cl2 N4 Si2 -","2","1","","Xiong, Yun; Yao, Shenglai; Kostenko, Arseni; Driess, Matthias","An isolable β-diketiminato chlorosilylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2152","2155","10.1039/c8dt00121a","","","1.54184","CuKα","","0.0389","0.0372","","","0.0904","0.0915","","","","","","1.027","","","","has coordinates,has disorder","229791","2020-10-21","18:00:00",""
"7045360","13.086","0.009","18.293","0.011","13.57","0.008","90","","94.875","0.01","90","","3237","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H58 N4 O14 Zn4 -","- C48 H58 N4 O14 Zn4 -","- C96 H116 N8 O28 Zn8 -","2","1","","Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Construction of unprecedented pillar-layered metal organic frameworks via a dual-ligand strategy for dye degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4032","4035","10.1039/c7dt04484d","","","0.71073","MoKα","","0.1173","0.0747","","","0.2045","0.2527","","","","","","0.766","","","","has coordinates","230046","2020-10-21","18:00:00",""
"7045436","7.1386","0.0006","11.1622","0.0006","7.8033","0.0007","90","","115.913","0.011","90","","559.27","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl4 Mo S2 -","- C4 H10 Cl4 Mo S2 -","- C8 H20 Cl8 Mo2 S4 -","2","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl4 complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe2 and MoS2 films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0556","0.0471","","","0.1177","0.1223","","","","","","1.022","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045452","8.9391","0.0004","18.8103","0.0008","9.2977","0.0004","90","","105.309","0.001","90","","1507.91","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H33 F6 Ir N P S -","- C33 H33 F6 Ir N P S -","- C66 H66 F12 Ir2 N2 P2 S2 -","2","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH2OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η5-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.0344","0.0337","","","0.0917","0.0922","","","","","","1.016","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045453","9.0129","0.0017","18.866","0.004","9.4669","0.0019","90","","104.644","0.004","90","","1557.4","0.5","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H33 F6 Ir N P Se -","- C33 H33 F6 Ir N P Se -","- C66 H66 F12 Ir2 N2 P2 Se2 -","2","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH2OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η5-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.0554","0.0456","","","0.0849","0.0886","","","","","","1.017","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045491","14.536","0.002","10.3088","0.0016","18.813","0.003","90","","111.418","0.002","90","","2624.4","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 F N3 O2 -","- C32 H26 F N3 O2 -","- C128 H104 F4 N12 O8 -","4","2","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0815","0.0445","","","0.0838","0.096","","","","","","0.999","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045493","9.0018","0.0005","35.4443","0.0017","14.124","0.0007","90","","90.394","0.003","90","","4506.3","0.4","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","'Ph2FOMeAu(II)Cl'","","- C52 H44 Au2 Cl2 Fe2 N2 O2 -","- C52 H44 Au2 Cl2 Fe2 N2 O2 -","- C208 H176 Au8 Cl8 Fe8 N8 O8 -","4","2","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0527","0.0481","","","0.1071","0.1086","","","","","","1.045","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045497","15.339","0.002","9.3952","0.0011","27.543","0.005","90","","95.049","0.014","90","","3953.9","1","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","'IndFOMeAu(II)Cl'","","- C43 H38 Au2 Cl4 Fe2 N2 O2 -","- C43 H38 Au2 Cl4 Fe2 N2 O2 -","- C172 H152 Au8 Cl16 Fe8 N8 O8 -","4","2","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","1.54178","CuKα","","0.186","0.1124","","","0.2335","0.2615","","","","","","1.054","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045587","10.805","0.004","13.497","0.004","13.691","0.005","90","","109.104","0.004","90","","1886.7","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Br10 N2 Nb2 -","- C26 H36 Br10 N2 Nb2 -","- C52 H72 Br20 N4 Nb4 -","2","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.1431","0.0931","","","0.2153","0.2441","","","","","","1.04","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045635","8.509","0.004","9.397","0.004","14.443","0.007","90","","91.146","0.017","90","","1154.6","0.9","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","[Pd(C6H4(2-t-Bu))(κ3-N,N',O-OC6H4N=CH(2-C5H4N))]","","- C28 H28 N2 O Pd -","- C28 H28 N2 O Pd -","- C56 H56 N4 O2 Pd2 -","2","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Mild and selective Pd-Ar protonolysis and C-H activation promoted by a ligand aryloxide group.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3538","3548","10.1039/c8dt00437d","","","0.71073","MoKα","","0.0431","0.0372","","","0.091","0.0948","","","","","","1.011","","","","has coordinates,has disorder","229240","2020-10-21","18:00:00",""
"7045653","3.86591","0.00012","16.1913","0.0005","9.0929","0.0003","90","","100.696","0.003","90","","559.27","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C32 H18 N2 O4 -","2","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0834","0.0841","","","","","","1.079","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045698","8.1786","0.0013","21.633","0.003","17.088","0.003","90","","94.636","0.005","90","","3013.4","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H50 Ag2 F12 N8 O12 S4 -","- C50 H50 Ag2 F12 N8 O12 S4 -","- C100 H100 Ag4 F24 N16 O24 S8 -","2","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.5608","AgKα","","0.1036","0.083","","","0.213","0.2228","","","","","","1.303","","","","has coordinates","229863","2020-10-21","18:00:00",""
"7045778","6.5369","0.0004","7.0071","0.0003","12.2187","0.0007","90","","100.72","0.005","90","","549.91","0.05","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R,7R)-6,6-dimethyl-5,6,7,8-tetrahydro-5,7-methanoquinoline-2-carbaldehyde","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.0334","0.0317","","","0.0875","0.0891","","","","","","1.062","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045780","13.0978","0.0009","11.0063","0.0007","16.8554","0.0014","90","","105.955","0.006","90","","2336.2","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl2 Cu N5 O -","- C20 H28 Cl2 Cu N5 O -","- C80 H112 Cl8 Cu4 N20 O4 -","4","2","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.2226","0.0759","","","0.1514","0.2174","","","","","","0.913","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045815","8.3916","0.0003","16.1829","0.0006","9.2225","0.0003","90","","111.361","0.0004","90","","1166.38","0.07","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(C5Me5)2Y(THF)NH2","","- C24 H40 N O Y -","- C24 H40 N O Y -","- C48 H80 N2 O2 Y2 -","2","1","","Boshart, Monica D.; Ziller, Joseph W.; Evans, William J.","NH3 and (NH2)1- as ligands in yttrium metallocene chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5098","5101","10.1039/C8DT00543E","","","0.71073","MoKα","","0.023","0.0212","","","0.051","0.0517","","","","","","1.05","","","","has coordinates","229766","2020-10-21","18:00:00",""
"7045838","11.7606","0.0007","30.594","0.002","15.8656","0.001","90","","90.937","0.003","90","","5707.7","0.6","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-methyl-N?[(phenylseleno)methylene)]-imidazolium tetraphenylborate","","- C35 H33 B N2 Se -","- C35 H33 B N2 Se -","- C280 H264 B8 N16 Se8 -","8","4","","Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P.; Janiak, Christoph","Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5083","5097","10.1039/C8DT00233A","","","0.71073","MoKα","","0.0875","0.0462","","","0.0745","0.0839","","","","","","0.952","","","","has coordinates","229768","2020-10-21","18:00:00",""
"7045884","10.8501","0.0006","12.4336","0.0006","14.5101","0.0009","90","","108.445","0.007","90","","1856.94","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]silver(I)tetrafluoroborate nitromethane solvate","","- C13 H12 Ag B F4 N10 O2 -","- C13 H12 Ag B F4 N10 O2 -","- C52 H48 Ag4 B4 F16 N40 O8 -","4","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0879","0.0864","","","0.2219","0.2241","","","","","","1.057","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045888","11.3714","0.0003","6.8555","0.0002","23.7996","0.0006","90","","90.42","0.002","90","","1855.29","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2,4,6-tri(pyrazolyl-1-yl)pyrimidine]bis(acetonitrile)disilver(I) ditetrafluoroborate","","- C30 H26 Ag2 B2 F8 N18 -","- C30 H26 Ag2 B2 F8 N18 -","- C60 H52 Ag4 B4 F16 N36 -","2","1","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0519","0.0509","","","0.1339","0.1345","","","","","","1.141","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045898","5.93","0.002","11.012","0.005","7.395","0.004","90","","108.874","0.015","90","","456.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H13 B F3 O P -","- C5 H13 B F3 O P -","- C10 H26 B2 F6 O2 P2 -","2","1","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.71073","MoKα","","0.0318","0.0296","","","0.0736","0.075","","","","","","1.07","","","","has coordinates","229854","2020-10-21","18:00:00",""
"7045902","7.4353","0.0005","17.0371","0.001","12.4919","0.0008","90","","90.4112","0.0019","90","","1582.38","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H50 Cl2 O4 P4 Pd2 -","- C20 H50 Cl2 O4 P4 Pd2 -","- C40 H100 Cl4 O8 P8 Pd4 -","2","1","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.7107","MoKα","","0.047","0.0457","","","0.106","0.1066","","","","","","1.169","","","","has coordinates","229854","2020-10-21","18:00:00",""
"7045905","17.482","0.004","21.716","0.005","19.115","0.004","90","","116.456","0.006","90","","6497","3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","stibonium","","","- C24 Cl6 F20 Sb2 -","- C24 Cl6 F20 Sb2 -","- C192 Cl48 F160 Sb16 -","8","4","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.0823","0.0472","","","0.0922","0.1167","","","","","","1.005","","","","has coordinates","229986","2020-10-21","18:00:00",""
"7045909","8.442","0.0005","12.8784","0.0008","11.7299","0.0007","90","","92.682","0.006","90","","1273.87","0.13","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Co N6 S2 -","- C24 H24 Co N6 S2 -","- C48 H48 Co2 N12 S4 -","2","1","","Switlicka, A.; Machura, B.; Kruszynski, R.; Cano, J.; Toma, L. M.; Lloret, F.; Julve, M.","The influence of pseudohalide ligands on the SIM behaviour of four-coordinate benzylimidazole-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5831","5842","10.1039/c7dt04735e","","","0.71073","MoKα","","0.0731","0.049","","","0.1392","0.1637","","","","","","1.074","","","","has coordinates,has disorder","229615","2020-10-21","18:00:00",""
"7045985","12.6027","0.0007","26.4698","0.0017","15.1116","0.0009","90","","114.801","0.006","90","","4576.2","0.5","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H84 Ge4 N20 Ni3 O46 Sb2 V15 -","- C20 H80 Ge4 N20 Ni3 O46 Sb2 V15 -","- C40 H160 Ge8 N40 Ni6 O92 Sb4 V30 -","2","1","","Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.","Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6672","6674","10.1039/c8dt00715b","","","0.71073","MoKα","","0.0389","0.0344","","","0.0852","0.0873","","","","","","1.037","","","","has coordinates,has disorder","229607","2020-10-21","18:00:00",""
"7045986","14.9473","0.0003","18.808","0.0003","16.1556","0.0003","90","","112.616","0.001","90","","4192.55","0.14","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H93 Ge3 N18 Ni3 O54 Sb3 V15 -","- C18 H72 Ge3 N18 Ni3 O54 Sb3 V15 -","- C36 H144 Ge6 N36 Ni6 O108 Sb6 V30 -","2","1","","Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.","Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6672","6674","10.1039/c8dt00715b","","","0.71073","MoKα","","0.0508","0.0469","","","0.1151","0.1181","","","","","","1.025","","","","has coordinates,has disorder","229607","2020-10-21","18:00:00",""
"7046056","10.3771","0.0002","10.1982","0.0002","11.7698","0.0002","90","","90.162","0.002","90","","1245.57","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 Li4 -","- C28 H44 Li4 -","- C56 H88 Li8 -","2","1","","Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Dispersion forces play a role in (Me2IPr)Fe([double bond, length as m-dash]NAd)R2 (Ad = adamantyl; R = neoPe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6025","6030","10.1039/c7dt04145d","","x-ray","1.54184","CuKα","","0.0428","0.0425","","","0.112","0.1125","","","","","","1.07","","","","has coordinates","229543","2020-10-21","18:00:00",""
"7046062","12.002","0.002","21.828","0.004","17.522","0.003","90","","103.674","0.007","90","","4460.3","1.3","106","2","106","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H63 Cl3 N12 O26 Zn3 -","- C72 H63 Cl3 N12 O26 Zn3 -","- C144 H126 Cl6 N24 O52 Zn6 -","2","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Adarsh, Nayarassery N.; Ghosh, Pradyut","A hexa-quinoline based C3-symmetric chemosensor for dual sensing of zinc(ii) and PPi in an aqueous medium via chelation induced ""OFF-ON-OFF"" emission.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6819","6830","10.1039/c8dt00611c","","","0.71073","MoKα","","0.1673","0.1024","","","0.2381","0.2763","","","","","","1.209","","","","has coordinates,has disorder","229609","2020-10-21","18:00:00",""
"7046168","8.5561","0.0003","8.8998","0.0003","10.0193","0.0003","90","","93.866","0.003","90","","761.21","0.04","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 Sn -","- C14 H18 N4 Sn -","- C28 H36 N8 Sn2 -","2","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","1.54184","CuKα","","0.0338","0.0336","","","0.0894","0.0896","","","","","","1.077","","","","has coordinates","229887","2020-10-21","18:00:00",""
"7046184","12.3186","0.0004","8.3526","0.0003","14.5003","0.0004","90","","114.935","0.002","90","","1352.9","0.08","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H26 Cu F6 N4 P Si -","- C26 H26 Cu F6 N4 P Si -","- C52 H52 Cu2 F12 N8 P2 Si2 -","2","1","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)3].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0461","0.0388","","","0.091","0.0954","","","","","","1.075","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046197","8.1339","0.0008","5.6565","0.0006","14.5299","0.0016","90","","92.836","0.009","90","","667.69","0.12","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0617","0.0464","","","0.1051","0.1164","","","","","","1.019","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046221","11.8009","0.0005","26.2459","0.0008","13.8906","0.0004","90","","111.152","0.004","90","","4012.4","0.3","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H78 Br4 Mn2 N2 O6 P6 -","- C82 H78 Br4 Mn2 N2 O6 P6 -","- C164 H156 Br8 Mn4 N4 O12 P12 -","2","1","","Berezin, Alexey S.; Samsonenko, Denis G.; Brel, Valery K.; Artem'ev, Alexander V.","""Two-in-one"" organic-inorganic hybrid MnII complexes exhibiting dual-emissive phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7306","7315","10.1039/c8dt01041b","","x-ray","0.71073","MoKα","","0.0382","0.0323","","","0.0667","0.0694","","","","","","1.034","","","","has coordinates","229908","2020-10-21","18:00:00",""
"7046223","8.6076","0.0003","9.45","0.0005","10.8046","0.0004","90","","99.428","0.003","90","","866.99","0.06","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 B N S -","- C23 H16 B N S -","- C46 H32 B2 N2 S2 -","2","1","","Stanoppi, Marco; Lorbach, Andreas","Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10394","10398","10.1039/c8dt01255e","","x-ray","0.71073","MoKα","","0.0303","0.0275","","","0.0695","0.0705","","","","","","1.044","","","","has coordinates","229821","2020-10-21","18:00:00",""
"7046456","12.1916","0.0005","27.8951","0.0012","14.2943","0.0006","90","","111.665","0.002","90","","4517.9","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H94 Cl4 Fe4 N6 O18 -","- C98 H94 Cl4 Fe4 N6 O18 -","- C196 H188 Cl8 Fe8 N12 O36 -","2","1","","Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert","Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8392","8401","10.1039/c8dt01684d","","","0.71073","MoKα","","0.0604","0.0515","","","0.1391","0.1488","","","","","","1.051","","","","has coordinates","229660","2020-10-21","18:00:00",""
"7046457","10.7824","0.0006","18.1395","0.0008","11.301","0.0006","90","","99.806","0.002","90","","2178.04","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H49 Fe N4 O7 -","- C49 H49 Fe N4 O7 -","- C98 H98 Fe2 N8 O14 -","2","1","","Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert","Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8392","8401","10.1039/c8dt01684d","","","0.71073","MoKα","","0.0242","0.0228","","","0.0553","0.056","","","","","","1.052","","","","has coordinates","229660","2020-10-21","18:00:00",""
"7046458","12.2369","0.0006","27.7723","0.0016","14.2521","0.001","90","","112.288","0.002","90","","4481.7","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C100 H96 Fe4 N8 O18 -","- C100 H96 Fe4 N8 O18 -","- C200 H192 Fe8 N16 O36 -","2","1","","Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert","Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8392","8401","10.1039/c8dt01684d","","","0.71073","MoKα","","0.0363","0.0331","","","0.075","0.0764","","","","","","1.102","","","","has coordinates","229660","2020-10-21","18:00:00",""
"7046485","7.10996","0.00016","10.2978","0.0002","13.8317","0.0003","90","","103.201","0.002","90","","985.95","0.04","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H27 Cl3 Cr2 N2 O6 -","- C12 H27 Cl3 Cr2 N2 O6 -","- C24 H54 Cl6 Cr4 N4 O12 -","2","1","","Fraser, Hector W. L.; Smythe, Lucy; Dey, Sourav; Nichol, Gary S.; Piligkos, Stergios; Rajaraman, Gopalan; Brechin, Euan K.","A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8100","8109","10.1039/c8dt01963k","","x-ray","0.71073","MoKα","","0.0302","0.0274","","","0.0564","0.0582","","","","","","1.057","","","","has coordinates","229213","2020-10-21","18:00:00",""
"7046515","13.525","0.006","13.06","0.006","17.173","0.008","90","","102.295","0.007","90","","2964","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H57 Co2 N15 O21 -","- C55 H57 Co2 N15 O21 -","- C110 H114 Co4 N30 O42 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.153","0.1034","","","0.2405","0.2663","","","","","","1.294","","","","has coordinates","229893","2020-10-21","18:00:00",""
"7046569","20.39","0.002","14.7529","0.0014","26.785","0.003","90","","109.515","0.003","90","","7594.4","1.3","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H40 B F4 Ir P2 -","- C45 H40 B F4 Ir P2 -","- C360 H320 B8 F32 Ir8 P16 -","8","4","","Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of di- and trinuclear iridium polyhydride complexes surrounded by light-absorbing ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12046","12050","10.1039/c8dt00998h","","","0.71075","MoKα","","0.0565","0.0455","","","0.1099","0.1139","","","","","","1.047","","","","has coordinates","229947","2020-10-21","18:00:00",""
"7046610","14.6614","0.0005","29.0126","0.001","17.4747","0.0006","90","","107.564","0.004","90","","7086.6","0.4","123","2","123","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C140 H176 Cl4.72 Hg2 I3.28 N16 O2 S2 Te4 -","- C140 H176 Cl4.717 Hg2 I3.283 N16 O2 S2 Te4 -","- C280 H352 Cl9.434 Hg4 I6.566 N32 O4 S4 Te8 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.0575","0.0446","","","0.092","0.0981","","","","","","1.024","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046712","21.333","0.005","10.771","0.002","27.313","0.006","90","","106.737","0.004","90","","6010","2","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C106 H90 Dy2 N12 O32 Zn4 -","- C106 H90 Dy2 N12 O32 Zn4 -","- C212 H180 Dy4 N24 O64 Zn8 -","2","1","","Li, Min; Wu, Haipeng; Wei, Qing; Ke, Hongshan; Yin, Bing; Zhang, Sheng; Lv, Xingqiang; Xie, Gang; Chen, Sanping","Two {ZnII2DyIII} complexes supported by monophenoxido/dicarboxylates bridges with multiple relaxation processes: carboxylato ancillary ligands controlled magnetic anisotropy in square antiprismatic DyIII species","Dalton Transactions","2018","","","","","10.1039/C8DT01842A","","","0.71073","MoKα","","0.1004","0.0581","","","0.116","0.1344","","","","","","0.944","","","","has coordinates","208506","2020-10-21","18:00:00",""
"7046940","10.509","0.0005","20.842","0.0009","18.5788","0.0008","90","","98.817","0.004","90","","4021.2","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl N2 P3 W -","- C36 H62 Cl N2 P3 W -","- C144 H248 Cl4 N8 P12 W4 -","4","2","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","x-ray","1.54186","CuKα","","0.0862","0.0764","","","0.1955","0.2261","","","","","","1.179","","","","has coordinates","229816","2020-10-21","18:00:00",""
"7046941","10.5885","0.0016","20.9626","0.0016","18.7533","0.0017","90","","99.04","0.01","90","","4110.8","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl Mo N2 P3 -","- C36 H62 Cl Mo N2 P3 -","- C144 H248 Cl4 Mo4 N8 P12 -","4","2","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","x-ray","0.71073","MoKα","","0.0871","0.0624","","","0.1297","0.1488","","","","","","1.013","","","","has coordinates","229816","2020-10-21","18:00:00",""
"7046947","14.5011","0.0011","22.6547","0.0017","23.2331","0.0018","90","","103.376","0.001","90","","7425.4","1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C154 H149 Cl4 N13 O13 P4 Pt4 -","- C154 H149 Cl4 N13 O13 P4 Pt4 -","- C308 H298 Cl8 N26 O26 P8 Pt8 -","2","1","","Zhang, Xiao-Peng; Wang, Li-Li; Qi, Xiao-Wei; Zhang, Da-Shuai; Yang, Qian-Ying; Shi, Zai-Feng; Lin, Qiang; Wu, Tao","PtPt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10179","10186","10.1039/c8dt02277a","","","0.71073","MoKα","","0.049","0.0432","","","0.1048","0.1069","","","","","","1.041","","","","has coordinates,has disorder","229814","2020-10-21","18:00:00",""
"7046976","11.0291","0.0003","9.5222","0.0003","16.5393","0.0005","90","","96.603","0.001","90","","1725.46","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H32 Cl4 Cu N2 O2 -","- C37 H32 Cl4 Cu N2 O2 -","- C74 H64 Cl8 Cu2 N4 O4 -","2","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0251","0.0249","","","0.0661","0.0664","","","","","","1.129","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046983","11.271","0.0005","25.1487","0.001","11.9113","0.0005","90","","108.617","0.002","90","","3199.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H88 Cu2 N4 O4 -","- C72 H88 Cu2 N4 O4 -","- C144 H176 Cu4 N8 O8 -","2","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0264","0.0262","","","0.0709","0.0712","","","","","","1.036","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7047005","10.592","0.002","22.989","0.005","22.638","0.005","90","","90.46","0.03","90","","5512","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl2 N9 Ni -","- C24 H33 Cl2 N9 Ni -","- C192 H264 Cl16 N72 Ni8 -","8","4","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.0978","0.0597","","","0.1392","0.1597","","","","","","1.071","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047011","9.6473","0.0002","17.9962","0.0003","10.7774","0.0002","90","","90.861","0.001","90","","1870.9","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H61 N2 O3 Si3 Y -","- C29 H61 N2 O3 Si3 Y -","- C58 H122 N4 O6 Si6 Y2 -","2","1","","Pan, Yu; Zhao, Aijing; Li, Yang; Li, Wenqiang; So, Yat-Ming; Yan, Xiaoming; He, Gaohong","Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13815","13823","10.1039/c8dt02130a","","","0.71073","MoKα","","0.0185","0.0179","","","0.0495","0.0498","","","","","","0.814","","","","has coordinates","229506","2020-10-21","18:00:00",""
"7047012","9.5928","0.0012","17.955","0.002","10.7752","0.0014","90","","90.409","0.007","90","","1855.9","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H61 Lu N2 O3 Si3 -","- C29 H61 Lu N2 O3 Si3 -","- C58 H122 Lu2 N4 O6 Si6 -","2","1","","Pan, Yu; Zhao, Aijing; Li, Yang; Li, Wenqiang; So, Yat-Ming; Yan, Xiaoming; He, Gaohong","Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13815","13823","10.1039/c8dt02130a","","","0.71073","MoKα","","0.0461","0.046","","","0.115","0.1151","","","","","","1.052","","","","has coordinates","229506","2020-10-21","18:00:00",""
"7047013","12.604","0.003","9.977","0.002","13.129","0.003","90","0.03","92.97","0.03","90","0.03","1648.8","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H53 N2 O2 Sc Si3 -","- C25 H53 N2 O2 Sc Si3 -","- C50 H106 N4 O4 Sc2 Si6 -","2","1","","Pan, Yu; Zhao, Aijing; Li, Yang; Li, Wenqiang; So, Yat-Ming; Yan, Xiaoming; He, Gaohong","Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13815","13823","10.1039/c8dt02130a","","","0.71076","MoKα","","0.0192","0.0184","","","0.0508","0.0513","","","","","","1.037","","","","has coordinates","229506","2020-10-21","18:00:00",""
"7047036","7.1455","0.0006","9.1908","0.0008","10.0482","0.0009","90","","107.918","0.004","90","","627.89","0.1","100","2","100.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H19 Al Cl2 N2 -","- C8 H19 Al Cl2 N2 -","- C16 H38 Al2 Cl4 N4 -","2","1","","Blakeney, Kyle J.; Martin, Philip D.; Winter, Charles H.","Aluminum dihydride complexes and their unexpected application in atomic layer deposition of titanium carbonitride films.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10897","10905","10.1039/c8dt02508h","","","0.71073","MoKα","","0.0337","0.0277","","","0.061","0.0633","","","","","","1.082","","","","has coordinates","229359","2020-10-21","18:00:00",""
"7047072","11.7464","0.0012","5.2568","0.0003","19.2835","0.0013","90","","98.15","0.008","90","","1178.7","0.16","296.6","0.3","296.6","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C62 H48 O8 -","2","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.065","0.0416","","","0.0868","0.0995","","","","","","1.045","","","","has coordinates","229946","2020-10-21","18:00:00",""
"7047095","9.39","0.003","16.663","0.005","9.814","0.003","90","","91.31","0.03","90","","1535.2","0.8","129.98","0.11","129.98","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0385","0.0307","","","0.0611","0.0643","","","","","","1.038","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047098","9.404","0.003","16.733","0.005","9.803","0.003","90","","91.38","0.03","90","","1542.1","0.8","190","0.1","190","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.046","0.0333","","","0.0659","0.0703","","","","","","1.061","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047099","9.395","0.003","16.683","0.005","9.811","0.003","90","","91.32","0.03","90","","1537.3","0.8","149.99","0.11","149.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0407","0.0317","","","0.0647","0.0685","","","","","","1.04","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047104","9.389","0.003","16.657","0.005","9.816","0.003","90","","91.3","0.03","90","","1534.8","0.8","119.98","0.11","119.98","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0382","0.0312","","","0.0658","0.0689","","","","","","1.05","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047105","9.397","0.003","16.694","0.005","9.81","0.003","90","","91.33","0.03","90","","1538.5","0.8","160","0.11","160","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0414","0.0322","","","0.0655","0.0694","","","","","","1.057","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047107","9.393","0.003","16.675","0.005","9.812","0.003","90","","91.32","0.03","90","","1536.4","0.8","140","0.11","140","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0396","0.0312","","","0.0644","0.0678","","","","","","1.056","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047108","9.384","0.003","16.641","0.005","9.817","0.003","90","","91.3","0.03","90","","1532.6","0.8","99.97","0.16","99.97","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0376","0.0309","","","0.064","0.0675","","","","","","1.047","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047111","9.386","0.003","16.648","0.005","9.816","0.003","90","","91.3","0.03","90","","1533.4","0.8","109.98","0.11","109.98","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0372","0.0304","","","0.0655","0.0688","","","","","","1.055","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047112","9.399","0.003","16.703","0.005","9.807","0.003","90","","91.34","0.03","90","","1539.2","0.8","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0424","0.0326","","","0.0645","0.0686","","","","","","1.057","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047113","9.402","0.003","16.718","0.005","9.806","0.003","90","","91.36","0.03","90","","1540.9","0.8","179.99","0.11","179.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0445","0.0334","","","0.0693","0.0739","","","","","","1.059","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047114","9.406","0.003","16.747","0.005","9.799","0.003","90","","91.41","0.03","90","","1543.1","0.8","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0486","0.0341","","","0.0677","0.0732","","","","","","1.071","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047141","12.458","0.007","11.207","0.007","15.772","0.009","90","","101.85","0.008","90","","2155","2","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[(bpy)2Ru(?-qlca)NiCl2]Cl nH2O MeOH","","- C37 H38.86 Cl3 N8 Ni O5.43 Ru -","- C37 H38.92 Cl3 N8 Ni O5.46 Ru -","- C74 H77.84 Cl6 N16 Ni2 O10.92 Ru2 -","2","1","","Ahsan, Habib Md; Breedlove, Brian K.; Piangrawee, Santivongskul; Mian, Mohammad Rasel; Fetoh, Ahmed; Cosquer, Goulven; Yamashita, Masahiro","Enhancement of electrocatalytic abilities for reducing carbon dioxide: functionalization with a redox-active ligand-coordinated metal complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11313","11316","10.1039/c8dt02288g","","","0.71073","MoKα","","0.0623","0.0507","","","0.1139","0.1207","","","","","","1.075","","","","has coordinates","229425","2020-10-21","18:00:00",""
"7047162","12.34","0.01","5.501","0.005","23.97","0.02","90","","93.693","0.013","90","","1624","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,5-tetraphenyl-1-(1R,2S,5R)-menthyl)oxymethyl-1-phosphacyclopentadiene-2,4","","- C39 H41 O P -","- C39 H41 O P -","- C78 H82 O2 P2 -","2","1","","Oshchepkova, Elena; Zagidullin, Almaz; Burganov, Timur; Katsyuba, Sergey; Miluykov, Vasily; Lodochnikova, Olga","Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11521","11529","10.1039/c8dt02208a","","","0.71073","MoKα","","0.1496","0.0631","","","0.1216","0.1562","","","","","","0.978","","","","has coordinates,has disorder","229416","2020-10-21","18:00:00",""
"7047209","6.205","0.003","17.811","0.009","12.643","0.006","90","","96.512","0.006","90","","1388.3","1.2","110","","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H26 Sb2 -","- C36 H26 Sb2 -","- C72 H52 Sb4 -","2","1","","Chen, Chang-Hong; Gabbaï, François P","Coordination of a stibine oxide to a Lewis acidic stiborane at the upper rim of the biphenylene backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12075","12078","10.1039/c8dt02872a","","","0.71073","MoKα","","0.0511","0.0433","","","0.0946","0.0986","","","","","","0.997","","","","has coordinates","229948","2020-10-21","18:00:00",""
"7047271","7.7213","0.0008","16.7703","0.0018","9.1967","0.001","90","","110.326","0.004","90","","1116.7","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H39 N2 O2 P -","- C22 H39 N2 O2 P -","- C44 H78 N4 O4 P2 -","2","1","","Schneider, Carolin; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Lewis and Brønsted basicity of phosphine-diazomethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12742","12749","10.1039/c8dt02420k","","","0.71073","MoKα","","0.0596","0.0436","","","0.0929","0.1093","","","","","","1.066","","","","has coordinates","229923","2020-10-21","18:00:00",""
"7047277","8.564","0.0005","13.4034","0.0008","9.7175","0.0006","90","","114.766","0.0008","90","","1012.85","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl Ir N -","- C23 H29 Cl Ir N -","- C46 H58 Cl2 Ir2 N2 -","2","1","","Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Challenges in cyclometalation: steric effects leading to competing pathways and η1,η2-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13046","13051","10.1039/c8dt02639d","","","0.71073","MoKα","","0.0267","0.0253","","","0.0533","0.0538","","","","","","0.894","","","","has coordinates","229296","2020-10-21","18:00:00",""
"7047324","10.7408","0.0008","21.3333","0.0017","16.7347","0.0013","90","","90.199","0.0013","90","","3834.5","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl Sc -","- C20 H30 Cl Sc -","- C160 H240 Cl8 Sc8 -","8","4","","Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.","Solid-state 45Sc NMR studies of Cp*2Sc-X and Cp*2ScX(THF).","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13063","13071","10.1039/c8dt02623h","","","0.71073","MoKα","","0.0628","0.0478","","","0.1049","0.1127","","","","","","1.035","","","","has coordinates","229297","2020-10-21","18:00:00",""
"7047338","14.1241","0.0011","14.4166","0.0011","15.9927","0.0013","90","","103.416","0.003","90","","3167.6","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H29 Cl Cu N4 O5.25 -","- C36 H24 Cl Cu N4 O5.25 -","- C144 H96 Cl4 Cu4 N16 O21 -","4","2","","Martínez, Natalia P; Isaacs, Mauricio; Oliver, Allen G.; Ferraudi, G.; Lappin, A. Graham; Guerrero, Juan","Effects of non-covalent interactions on the electronic and electrochemical properties of Cu(i) biquinoline complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13171","13179","10.1039/c8dt02722f","","","0.71073","MoKα","","0.0455","0.0397","","","0.1114","0.1151","","","","","","1.023","","","","has coordinates","229298","2020-10-21","18:00:00",""
"7047428","15.2602","0.0007","11.2695","0.0005","23.5329","0.001","90","","106.51","0.002","90","","3880.2","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","1","0.5","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.0624","0.0581","","","0.1561","0.1586","","","","","","1.033","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047429","15.565","0.013","11.095","0.008","23.637","0.013","90","","106.22","0.03","90","","3919","5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","1","0.5","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71076","MoKα","","0.1023","0.0692","","","0.1564","0.1763","","","","","","1.037","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047430","15.447","0.0005","11.1229","0.0004","23.5679","0.0009","90","","106.343","0.001","90","","3885.7","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H84 Cu3 N6 O6 Pr -","- C87 H84 Cu3 N6 O6 Pr -","- C174 H168 Cu6 N12 O12 Pr2 -","2","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.0342","0.033","","","0.071","0.0714","","","","","","1.158","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047431","15.5978","0.0005","10.9827","0.0004","24.0719","0.0008","90","","91.6974","0.0017","90","","4121.9","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C101 H103 N6 O6 Pr -","- C101 H103 N6 O6 Pr -","- C202 H206 N12 O12 Pr2 -","2","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.0363","0.0319","","","0.0761","0.0779","","","","","","1.034","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047444","16.1213","0.0006","8.9632","0.0003","25.9147","0.0007","90","","96.817","0.003","90","","3718.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H62 Cu2 N8 O15 -","- C64 H62 Cu2 N8 O15 -","- C128 H124 Cu4 N16 O30 -","2","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","1.54184","CuKα","","0.0725","0.0589","","","0.1623","0.1718","","","","","","1.02","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047446","13.3695","0.0015","19.989","0.002","15.6098","0.0017","90","","96.395","0.004","90","","4145.7","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H63 Cu2 N8 O14 -","- C72 H63 Cu2 N8 O14 -","- C144 H126 Cu4 N16 O28 -","2","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","0.71073","MoKα","","0.1375","0.0654","","","0.1616","0.2068","","","","","","0.98","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047461","15.2602","0.0007","11.2695","0.0005","23.5329","0.001","90","","106.51","0.002","90","","3880.2","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","1","0.5","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0624","0.0581","","","0.1561","0.1586","","","","","","1.033","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047462","15.565","0.013","11.095","0.008","23.637","0.013","90","","106.22","0.03","90","","3919","5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","1","0.5","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71076","MoKα","","0.1023","0.0692","","","0.1564","0.1763","","","","","","1.037","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047463","15.447","0.0005","11.1229","0.0004","23.5679","0.0009","90","","106.343","0.001","90","","3885.7","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H84 Cu3 N6 O6 Pr -","- C87 H84 Cu3 N6 O6 Pr -","- C174 H168 Cu6 N12 O12 Pr2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0342","0.033","","","0.071","0.0714","","","","","","1.158","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047464","15.5978","0.0005","10.9827","0.0004","24.0719","0.0008","90","","91.6974","0.0017","90","","4121.9","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C101 H103 N6 O6 Pr -","- C101 H103 N6 O6 Pr -","- C202 H206 N12 O12 Pr2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0363","0.0319","","","0.0761","0.0779","","","","","","1.034","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047471","9.4134","0.0003","19.5281","0.0006","10.0081","0.0004","90","","114.22","0.004","90","","1677.81","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H62 O2 Sm -","- C34 H62 O2 Sm -","- C68 H124 O4 Sm2 -","2","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0376","0.0288","","","0.0546","0.0581","","","","","","1.048","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047579","10.937","0.004","11.634","0.004","15.984","0.006","90","","109.214","0.01","90","","1920.5","1.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 N4 Ni O2 P2 -","- C36 H62 N4 Ni O2 P2 -","- C72 H124 N8 Ni2 O4 P4 -","2","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN3P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.0786","0.0598","","","0.1529","0.169","","","","","","0.878","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047641","9.8468","0.0004","10.1242","0.0004","10.1222","0.0003","90","","103.228","0.002","90","","982.32","0.06","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C1.72 H1.24 B0.07 N0.07 O0.21 -","- C1.72414 H1.24138 B0.0689655 N0.0689655 O0.206897 -","- C50 H36 B2 N2 O6 -","29","14.5","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54178","CuKα","","0.0339","0.0327","","","0.0846","0.0858","","","","","","1.046","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047863","13.2439","0.0004","13.3679","0.0004","31.3605","0.001","90","","100.444","0.0005","90","","5460.2","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H82 N5 O26 S4 V5 -","- C30 H80 N5 O26 S4 V5 -","- C120 H320 N20 O104 S16 V20 -","4","2","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.0454","0.0383","","","0.0947","0.0992","","","","","","1.019","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7047905","10.3715","0.0015","33.585","0.005","10.5727","0.0017","90","","94.572","0.001","90","","3671","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H88 N4 Ni2 P2 -","- C92 H88 N4 Ni2 P2 -","- C184 H176 N8 Ni4 P4 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.2049","0.0861","","","0.172","0.2088","","","","","","0.91","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047988","16.2495","0.0007","12.2253","0.0006","21.1205","0.0007","90","","92.453","0.004","90","","4191.8","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H102 I4 N6 O10 Pd2 -","- C87 H102 I4 N6 O10 Pd2 -","- C174 H204 I8 N12 O20 Pd4 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0932","0.0666","","","0.1897","0.2143","","","","","","0.995","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047989","16.3045","0.0005","12.8881","0.0003","20.4913","0.0005","90","","107.067","0.003","90","","4116.3","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H98 Cl3 I2 N4 O10 -","- C78 H95 I N4 O10 -","- C156 H190 I2 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","","0.1761","0.1536","","","0.379","0.4041","","","","","","1.535","","","","has coordinates,has disorder","223949","2020-10-21","18:00:00",""
"7047991","16.4695","0.0004","12.8394","0.0004","20.6024","0.0006","90","","107.615","0.003","90","","4152.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H98 Ag2 Br Cl7 N4 O10 -","- C81 H98 Ag2 Br Cl7 N4 O10 -","- C162 H196 Ag4 Br2 Cl14 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0677","0.0577","","","0.1407","0.1452","","","","","","0.974","","","","has coordinates,has disorder","223949","2020-10-21","18:00:00",""
"7047994","12.1948","0.0005","28.7424","0.0006","12.6578","0.0004","90","","101.327","0.004","90","","4350.2","0.3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H93 Ag2 Br2 Cl12 N4 O10 -","- C79 H91 Ag2 Br2 Cl6 N4 O10 -","- C158 H182 Ag4 Br4 Cl12 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.1232","0.0986","","","0.2766","0.3002","","","","","","1.139","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7048135","14.0436","0.0006","7.426","0.0003","18.0722","0.0008","90","","107.725","0.002","90","","1795.24","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 O18 S3 Tb -","- C30 H39 O18 S3 Tb -","- C60 H78 O36 S6 Tb2 -","2","1","","Peng, Guo; Zhang, Ying-Ying; Li, Bo; Sun, Xiao-Fan; Cai, Hong-Ling; Li, De-Jing; Gu, Zhi-Gang; Kostakis, George E.","Single molecule magnetic behaviour in lanthanide naphthalenesulfonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17349","17356","10.1039/c8dt03613f","","","0.71073","MoKα","","0.0444","0.0325","","","0.0493","0.0521","","","","","","1.042","","","","has coordinates","229727","2020-10-21","18:00:00",""
"7048225","6.2596","0.0006","21.147","0.0017","10.7733","0.001","90","","102.201","0.005","90","","1393.9","0.2","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","E1FeDb","","","- C30 H30 Cl4 Fe O2 -","- C30 H30 Cl4 Fe O2 -","- C60 H60 Cl8 Fe2 O4 -","2","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0462","0.0365","","","0.0742","0.0783","","","","","","1.004","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048226","6.1976","0.0006","19.6861","0.0019","11.2319","0.0011","90","","96.743","0.002","90","","1360.9","0.2","120","2","120.51","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 Fe O2 -","- C35 H36 Fe O2 -","- C70 H72 Fe2 O4 -","2","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0306","0.0279","","","0.0685","0.0697","","","","","","1.031","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048227","7.5702","0.0018","12.041","0.003","12.814","0.003","90","","91.42","0.007","90","","1167.7","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 Fe O2 -","- C29 H32 Fe O2 -","- C58 H64 Fe2 O4 -","2","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","x-ray","0.71073","MoKα","","0.0965","0.0657","","","0.1263","0.1381","","","","","","1.03","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048291","9.285","0.0006","16.2386","0.0011","23.4534","0.0015","90","","95.284","0.002","90","","3521.2","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Eu N5 O15 Zn -","- C32 H34 Eu N5 O15 Zn -","- C128 H136 Eu4 N20 O60 Zn4 -","4","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [ZnIILnIII] and [NiIILnIII], LnIII = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0323","0.0281","","","0.0662","0.0712","","","","","","1.092","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048293","9.0617","0.001","17.1585","0.0017","22.414","0.002","90","","97.001","0.004","90","","3459.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Eu N5 O15 Zn -","- C30 H28 Eu N5 O15 Zn -","- C120 H112 Eu4 N20 O60 Zn4 -","4","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [ZnIILnIII] and [NiIILnIII], LnIII = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.063","0.0435","","","0.0996","0.1092","","","","","","1.046","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048294","9.2811","0.0004","16.2336","0.0008","23.4071","0.0011","90","","95.232","0.002","90","","3512","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Eu N5 O15 Zn -","- C32 H34 Eu N5 O15 Zn -","- C128 H136 Eu4 N20 O60 Zn4 -","4","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [ZnIILnIII] and [NiIILnIII], LnIII = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0552","0.0359","","","0.0667","0.0754","","","","","","1.082","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048295","9.2091","0.0014","16.418","0.003","23.14","0.004","90","","95.496","0.006","90","","3482.6","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C63 H64 Eu2 N10 O29 Zn2 -","- C63 H64 Eu2 N10 O29 Zn2 -","- C126 H128 Eu4 N20 O58 Zn4 -","2","1","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [ZnIILnIII] and [NiIILnIII], LnIII = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0955","0.0737","","","0.1773","0.19","","","","","","1.058","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048305","10.606","0.011","14.265","0.014","10.706","0.011","90","","114.708","0.011","90","","1471","3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H29 Cl N2 O P Pd -","- C34 H28 Cl N2 O P Pd -","- C68 H56 Cl2 N4 O2 P2 Pd2 -","2","1","","Liu, Hui; Yuan, Haibin; Shi, Xiaochao","Synthesis of nickel and palladium complexes with diarylamido-based unsymmetrical pincer ligands and application for norbornene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","609","617","10.1039/c8dt04413a","","","0.71073","MoKα","","0.0285","0.0257","","","0.059","0.0611","","","","","","1.054","","","","has coordinates","224122","2020-10-21","18:00:00",""
"7048355","15.1184","0.0003","23.6167","0.0006","15.6626","0.0005","90","","92.824","0.002","90","","5585.5","0.3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C129 H106 Cl10 Fe8 N4 O2 -","- C129 H106 Cl10 Fe8 N4 O2 -","- C258 H212 Cl20 Fe16 N8 O4 -","2","1","","Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich","Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat","Dalton Transactions","2018","","","","","10.1039/C8DT04135K","","","1.54184","CuKα","","0.1029","0.0862","","","0.2215","0.2405","","","","","","0.999","","","","has coordinates,has disorder","212564","2020-10-21","18:00:00",""
"7048358","5.9213","0.0002","7.5337","0.0003","16.2535","0.0007","90","","96.7714","0.0015","90","","720","0.05","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","6a","","- C18 H17 Fe N O -","- C18 H17 Fe N O -","- C36 H34 Fe2 N2 O2 -","2","1","","Oyarzo, Juan; Bosque, Ramón; Toro, Patricia; Silva, Carlos P.; Arancibia, Rodrigo; Font-Bardía, Mercè; Artigas, Vania; Calvis, Carme; Messeguer, Ramon; Klahn, A. Hugo; López, Concepción","A novel type of organometallic 2-R-2,4-dihydro-1H-3,1-benzoxazine with R = [M(η5-C5H4)(CO)3] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1023","1039","10.1039/c8dt03265c","","","0.71073","MoKα","","0.0247","0.0229","","","0.0559","0.0569","","","","","","0.968","","","","has coordinates,has disorder","224588","2020-10-21","18:00:00",""
"7048370","8.9069","0.0008","13.7152","0.0012","15.0922","0.0013","90","","101.607","0.002","90","","1806","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl2 N Ti -","- C18 H23 Cl2 N Ti -","- C72 H92 Cl8 N4 Ti4 -","4","2","","Fischer, Malte; Steinert, Henning; Schmidtmann, Marc; Beckhaus, Ruediger","Teaching c-phosphanylimines the titanaaziridine coordination mode.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1936","1940","10.1039/c8dt04918a","","","0.71073","MoKα","","0.0393","0.0325","","","0.0701","0.0732","","","","","","1.045","","","","has coordinates,has disorder","224147","2020-10-21","18:00:00",""
"7048376","21.5029","0.0017","17.2977","0.0008","23.2218","0.0017","90","","114.375","0.009","90","","7867.5","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C172 H136 Cl4 Cu4 N8 O16 P8 -","- C172 H136 Cl4 Cu4 N8 O16 P8 -","- C344 H272 Cl8 Cu8 N16 O32 P16 -","2","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1481","0.0768","","","0.1552","0.2011","","","","","","1.013","","","","has coordinates,has disorder","224123","2020-10-21","18:00:00",""
"7048444","11.7743","0.0011","37.178","0.003","17.9821","0.0017","90","","106.016","0.002","90","","7566","1.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H14 B2 F20 O4 -","- C40 H14 B2 F20 O4 -","- C320 H112 B16 F160 O32 -","8","4","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.157","0.0558","","","0.0914","0.1172","","","","","","1.003","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048473","9.9496","0.0008","12.4616","0.0009","17.5712","0.0016","90","","97.452","0.008","90","","2160.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H42 Cu N2 O6 -","- C52 H42 Cu N2 O6 -","- C104 H84 Cu2 N4 O12 -","2","1","","Zheng, Puyi; Eskandari, Arvin; Lu, Chunxin; Laws, Kristine; Aldous, Leigh; Suntharalingam, Kogularamanan","Biophysical analysis of cancer stem cell-potent copper(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5892","5896","10.1039/c8dt04706e","","","1.54184","CuKα","","0.0628","0.0505","","","0.1344","0.1468","","","","","","1.031","","","","has coordinates","224410","2020-10-21","18:00:00",""
"7048554","9.5378","0.0002","18.6556","0.0002","10.5052","0.0002","90","","115.551","0.0008","90","","1686.41","0.05","200","","200","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H37 B Mo N6 O4 Ru Se -","- C30 H37 B Mo N6 O4 Ru Se -","- C60 H74 B2 Mo2 N12 O8 Ru2 Se2 -","2","1","","Cade, Ian A.; Hill, Anthony F.; McQueen, Caitlin M. A.","Isoselenocarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2000","2012","10.1039/c8dt04947e","","","0.71073","MoKα","","0.0322","0.0248","","0.0663","0.0592","0.0663","","","","","","0.8228","","","","has coordinates","224152","2020-10-21","18:00:00",""
"7048658","9.6232","0.0006","7.6641","0.0007","9.7659","0.0007","90","","114.728","0.004","90","","654.22","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H20 Au Br0.31 Cl0.69 N2 -","- C10 H20 Au Br0.311 Cl0.689 N2 -","- C20 H40 Au2 Br0.622 Cl1.378 N4 -","2","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.048","0.0421","","","0.094","0.0979","","","","","","1.07","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048667","16.7838","0.0002","13.048","0.0001","20.4063","0.0002","90","","91.259","0.001","90","","4467.8","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H58 Au B F4 N8 O -","- C45 H58 Au B F4 N8 O -","- C180 H232 Au4 B4 F16 N32 O4 -","4","2","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","1.54184","CuKα","","0.0391","0.0371","","","0.0984","0.1009","","","","","","1.042","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048669","7.9564","0.0002","19.0099","0.0004","13.4208","0.0003","90","","97.576","0.002","90","","2012.18","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H56 Au2 I2 N4 -","- C38 H56 Au2 I2 N4 -","- C76 H112 Au4 I4 N8 -","2","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0369","0.0324","","","0.0683","0.0709","","","","","","1.045","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048700","11.9581","0.0002","16.9041","0.0003","12.7267","0.0002","90","","114.685","0.001","90","","2337.5","0.07","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 Ca N6 -","- C50 H72 Ca N6 -","- C100 H144 Ca2 N12 -","2","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0412","0.0374","","","0.0816","0.0841","","","","","","1.042","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048701","11.9728","0.0002","16.9256","0.0004","12.7315","0.0003","90","","114.75","0.001","90","","2343.01","0.09","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 Ca N6 -","- C50 H72 Ca N6 -","- C100 H144 Ca2 N12 -","2","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0479","0.0404","","","0.0831","0.0875","","","","","","1.071","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048710","15.755","0.003","11.78","0.002","20.929","0.004","90","","109.538","0.002","90","","3660.6","1.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N7 Ni2 O18.5 -","- C25 H44 N7 Ni2 O18.5 -","- C100 H176 N28 Ni8 O74 -","4","2","","Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis","Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2772","2784","10.1039/c8dt04631j","","","0.71073","MoKα","","0.0707","0.0499","","","0.1161","0.1277","","","","","","1.03","","","","has coordinates,has disorder","223957","2020-10-21","18:00:00",""
"7048721","9.9629","0.0002","10.4616","0.0002","18.5419","0.0003","90","","90.923","0.001","90","","1932.33","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","2","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd2+ .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","1.54178","CuKα","","0.041","0.0401","","","0.1036","0.1049","","","","","","1.043","","","","has coordinates,has disorder","224571","2020-10-21","18:00:00",""
"7048749","9.5168","0.0019","13.59","0.003","12.011","0.002","90","","94.25","0.03","90","","1549.2","0.5","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H46 Mo N6 O2 S4 -","- C24 H46 Mo N6 O2 S4 -","- C48 H92 Mo2 N12 O4 S8 -","2","1","","Chrysochos, Nicolas; Ahmadi, Mohsen; Wahlefeld, Stefan; Rippers, Yvonne; Zebger, Ingo; Mroginski, Maria Andrea; Schulzke, Carola","Comparison of molybdenum and rhenium oxo bis-pyrazine-dithiolene complexes - in search of an alternative metal centre for molybdenum cofactor models.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2701","2714","10.1039/c8dt04237c","","","0.71073","MoKα","","0.0345","0.0319","","","0.0863","0.0949","","","","","","0.913","","","","has coordinates","223971","2020-10-21","18:00:00",""
"7048837","6.9831","0.001","14.1056","0.0019","7.0752","0.0009","90","","115.325","0.004","90","","629.94","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cerium molybdate iodate","","","- Ce I4 Mo O15 -","- Ce I4 Mo O15 -","- Ce2 I8 Mo2 O30 -","2","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0256","0.0254","","","0.0617","0.0618","","","","","","1.113","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048838","6.9871","0.0012","14.114","0.002","7.0873","0.0012","90","","115.065","0.004","90","","633.1","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Praseodymium molybdate iodate","","","- I4 Mo O15 Pr -","- I4 Mo O15 Pr -","- I8 Mo2 O30 Pr2 -","2","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0178","0.0175","","","0.0412","0.0413","","","","","","1.11","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048891","11.072","0.0004","15.5491","0.0005","12.1161","0.0005","90","","99.486","0.001","90","","2057.38","0.13","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","[Cs(N3Dmp2)]","","","- C48 H50 Cs N3 -","- C48 H50 Cs N3 -","- C96 H100 Cs2 N6 -","2","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0293","0.0279","","","0.0654","0.0662","","","","","","1.046","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048894","11.1579","0.0018","15.707","0.002","11.9335","0.0018","90","","100.237","0.007","90","","2058.1","0.5","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","[Rb(N3Dmp2)]","","","- C48 H50 N3 Rb -","- C48 H50 N3 Rb -","- C96 H100 N6 Rb2 -","2","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0704","0.0386","","","0.0633","0.0704","","","","","","0.924","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048895","10.6705","0.0004","15.6826","0.0008","12.3438","0.0007","90","","93.288","0.002","90","","2062.23","0.18","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","[K(N3Dmp)2]","","","- C48 H50 K N3 -","- C48 H50 K N3 -","- C96 H100 K2 N6 -","2","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0902","0.0551","","","0.1124","0.1286","","","","","","1.029","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7049123","9.602","0.01","15.137","0.015","13.562","0.015","90","","92.026","0.019","90","","1970","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","2","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.032","0.0279","","","0.0578","0.0595","","","","","","1.011","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049127","9.6471","0.0013","15.345","0.002","13.77","0.002","90","","92.161","0.003","90","","2037","0.5","373","2","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","2","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0756","0.0432","","","0.0919","0.1063","","","","","","1.02","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049165","8.1685","0.0007","14.6515","0.0013","10.9025","0.001","90","","108.176","0.001","90","","1239.71","0.19","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","3-Et","3-Et","","- C12 H17 B F3 N -","- C12 H17 B F3 N -","- C48 H68 B4 F12 N4 -","4","2","","Bouchard, Nicolas; Fontaine, Frédéric-Georges","Alkylammoniotrifluoroborate functionalized polystyrenes: polymeric pre-catalysts for the metal-free borylation of heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4846","4856","10.1039/c9dt00484j","","","0.71073","MoKα","","0.0661","0.0538","","","0.1384","0.1481","","","","","","1.04","","","","has coordinates","224382","2020-10-21","18:00:00",""
"7049191","10.354","0.0007","17.9612","0.0012","18.099","0.0011","90","","90.255","0.002","90","","3365.8","0.4","106","2","106","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H5 B Cl F10 N -","- C17 H5 B Cl F10 N -","- C136 H40 B8 Cl8 F80 N8 -","8","4","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me3Si-substituted alkynes with the halogeno-B(C6F5)2 reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0455","0.0358","","","0.0724","0.076","","","","","","1.069","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049392","10.451","0.0006","39.343","0.002","13.3623","0.0007","90","","106.644","0.002","90","","5264","0.5","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H51 Cu4 I25 N17 Sb7 -","- C34 H51 Cu4 I25 N17 Sb7 -","- C68 H102 Cu8 I50 N34 Sb14 -","2","1","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.1054","0.0674","","","0.118","0.1296","","","","","","1.059","","","","has coordinates,has disorder","214282","2020-10-21","18:00:00",""
"7049441","11.2709","0.0017","10.9305","0.0016","13.289","0.002","90","","109.961","0.002","90","","1538.8","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H29 N4 O3 P Zn -","- C36 H29 N4 O3 P Zn -","- C72 H58 N8 O6 P2 Zn2 -","2","1","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.0654","0.0493","","","0.1043","0.111","","","","","","1.006","","","","has coordinates,has disorder","224192","2020-10-21","18:00:00",""
"7049609","14.63","0.004","15.523","0.004","24.015","0.007","90","","98.701","0.009","90","","5391","3","127","2","127.56","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H55 Cu F6 N7 O10 S2 -","- C53 H52 Cu F6 N6 O10 S2 -","- C212 H208 Cu4 F24 N24 O40 S8 -","4","2","","Bej, Somnath; Nandi, Mandira; Ghosh, Tamal Kanti; Ghosh, Pradyut","Cu(ii) templated formation of [n]pseudorotaxanes (n = 2, 3, 4) using a tris-amino ether macrocyclic wheel and multidentate axles.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6853","6862","10.1039/c9dt01067j","","","0.71073","MoKα","","0.0851","0.0688","","","0.1748","0.1909","","","","","","1.02","","","","has coordinates,has disorder","224220","2020-10-21","18:00:00",""
"7049629","19.12","0.004","21.609","0.004","21.015","0.004","90","","116.91","0.03","90","","7742","3","153","2","153.15","","","","","","","","none","6","P 1 21 1","P 2yb","4","(S)-1-3MeCN-153K","(S)-1-3MeCN-153K","","- C156 H141 Cl6 Fe3 N27 O36 -","- C156 H141 Cl6 Fe3 N27 O36 -","- C312 H282 Cl12 Fe6 N54 O72 -","2","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)2]2+ complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.0724","0.0655","","","0.1753","0.1825","","","","","","1.053","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049635","23.154","0.005","26.161","0.005","26.794","0.005","90","","97.46","0.03","90","","16093","6","153","0.2","153.15","","","","","","","","none","6","P 1 21 1","P 2yb","4","S-2-MeCN-153K","","","- C376 H312 B8 Fe4 N24 O16 -","- C376 H312 B8 Fe4 N24 O16 -","- C752 H624 B16 Fe8 N48 O32 -","2","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)2]2+ complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.1297","0.1052","","","0.2261","0.2467","","","","","","1.065","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049744","11.6182","0.0003","27.1979","0.001","12.3853","0.0003","90","","104.088","0.002","90","","3795.9","0.2","193.15","","193.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H70 Cl2 Cu4 N2 O12 P4 -","- C80 H70 Cl2 Cu4 N2 O12 P4 -","- C160 H140 Cl4 Cu8 N4 O24 P8 -","2","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0577","0.0402","","","0.0909","0.0982","","","","","","1.009","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049765","10.8715","0.0004","17.0073","0.0006","11.2197","0.0004","90","","110.818","0.001","90","","1939.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H61 N2 O2 Sc Si2 -","- C36 H61 N2 O2 Sc Si2 -","- C72 H122 N4 O4 Sc2 Si4 -","2","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Lai, Xiaoling; Li, Yang; Jiang, Kang; He, Gaohong","Highly active rare-earth metal catalysts for heteroselective ring-opening polymerization of racemic lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9079","9088","10.1039/c9dt00541b","","","0.71073","MoKα","","0.0242","0.0234","","","0.0618","0.0622","","","","","","1.097","","","","has coordinates","224218","2020-10-21","18:00:00",""
"7049790","9.81","0.0001","14.674","0.0002","12.8614","0.0002","90","","108.758","0.002","90","","1753.09","0.05","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H43 Ag F3 N3 O3 S -","- C34 H43 Ag F3 N3 O3 S -","- C68 H86 Ag2 F6 N6 O6 S2 -","2","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d10 Ag(i) amine-borane σ-complex and comparison with a d8 Rh(i) analogue: structures on the η1 to η2:η2 continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.0296","0.0285","","","0.0748","0.0759","","","","","","1.018","","","","has coordinates","224059","2020-10-21","18:00:00",""
"7049838","10.3673","0.0017","17.062","0.003","17.831","0.003","90","","91.518","0.008","90","","3153","0.9","100","2","100","2","","","","","","","synthetical product","6","P 1 21 1","P 2yb","4","","","","- C27 H48 Cl3 N2 O3 Re -","- C27 H48 Cl3 N2 O3 Re -","- C108 H192 Cl12 N8 O12 Re4 -","4","2","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0549","0.0464","","","0.1169","0.1203","","","","","","1.04","","","","has coordinates","224425","2020-10-21","18:00:00",""
"7049851","11.0654","0.0009","15.4966","0.0007","14.2383","0.0015","90","","110.339","0.004","90","","2289.3","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","s","PDINdI2(THF)2","","- C47 H59 I2 N3 Nd O2 -","- C47 H59 I2 N3 Nd O2 -","- C94 H118 I4 N6 Nd2 O4 -","2","1","","Galley, Shane S.; Pattenaude, Scott A.; Higgins, Robert F.; Tatebe, Caleb J.; Stanley, Dalton A.; Fanwick, Phillip E.; Zeller, Matthias; Schelter, Eric J.; Bart, Suzanne C.","A reduction series of neodymium supported by pyridine(diimine) ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8021","8025","10.1039/c9dt00679f","","","0.71073","MoKα","","0.047","0.036","","","0.0746","0.0793","","","","","","1.055","","","","has coordinates","224438","2020-10-21","18:00:00",""
"7049957","14.776","0.011","12.477","0.011","20.178","0.016","90","","111.21","0.02","90","","3468","5","170","","169.94","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H25 F6 N5 O6 S2 Sn -","- C35 H25 F6 N5 O6 S2 Sn -","- C140 H100 F24 N20 O24 S8 Sn4 -","4","2","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0322","0.0294","","","0.0666","0.0676","","","","","","1.125","","","","has coordinates","223838","2020-10-21","18:00:00",""
"7049969","9.4018","0.001","17.0518","0.0016","10.6058","0.0012","90","","107.126","0.003","90","","1624.9","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H42 Au N3 -","- C35 H42 Au N3 -","- C70 H84 Au2 N6 -","2","1","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR2)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.023","0.0194","","","0.0368","0.0374","","","","","","0.918","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7050032","6.956","0.002","5.6659","0.001","18.636","0.005","90","","98.9","0.02","90","","725.6","0.3","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl I S -","- C14 H14 Cl I S -","- C28 H28 Cl2 I2 S2 -","2","1","","Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P.","A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl)","New Journal of Chemistry","2005","29","2","315","","10.1039/b411873a","","","1.54178","CuKα","","0.037","0.0346","","","0.0836","0.0843","","","","","","1.074","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050033","7.1678","0.0006","5.7376","0.0011","18.5292","0.0018","90","","100.495","0.007","90","","749.28","0.17","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br I S -","- C14 H14 Br I S -","- C28 H28 Br2 I2 S2 -","2","1","","Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P.","A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl)","New Journal of Chemistry","2005","29","2","315","","10.1039/b411873a","","","0.71073","MoKα","","0.0321","0.0264","","","0.0529","0.0542","","","","","","1.06","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050039","10.4664","0.0002","16.3356","0.0003","16.3526","0.0003","90","","99.3449","0.0009","90","","2758.78","0.09","150","","150","","","","","","","","?","6","P 1 21 1","P 2yb","4","","","","- C28 H26 I2 N P Pd -","- C28 H26 I2 N P Pd -","- C112 H104 I8 N4 P4 Pd4 -","4","2","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71073","MoKα","","0.0408","0.0304","","0.0346","0.0333","0.0333","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050117","15.878","0.004","8.135","0.011","13.873","0.006","90","","105.53","0.03","90","","1727","3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 I N O6 S -","- C13 H18 I N O6 S -","- C52 H72 I4 N4 O24 S4 -","4","2","","Koposov, Alexey Y.; Nemykin, Victor N.; Zhdankin, Viktor V.","Intra- and intermolecular interactions in the solid state structure of 2-iodylbenzenesulfonamides: a heptacoordinated organic iodine(v) compound","New Journal of Chemistry","2005","29","8","998","","10.1039/b506573a","","","0.71073","MoKα","","0.0921","0.0574","","0.1702","0.1261","0.1261","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050137","9.32","0.004","10.951","0.005","13.149","0.004","90","","99.32","0.03","90","","1324.3","0.9","296.3","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Fe N2 O2 -","- C34 H26 Fe N2 O2 -","- C68 H52 Fe2 N4 O4 -","2","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.042","","","","0.137","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050181","11.237","0.005","19.743","0.005","12.286","0.005","90","0.005","113.688","0.005","90","0.005","2496","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H70 Cl N O6 -","- C54 H59 Cl0.99 N O6 -","- C108 H118 Cl1.98 N2 O12 -","2","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","0.71069","MoKα","","0.1478","0.0977","","","0.283","0.3275","","","","","","1.116","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050218","5.996","0.0005","26.565","0.0015","13.533","0.001","90","","99.315","0.009","90","","2127.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H0 F15 N3 O3 -","- C21 F15 N3 O3 -","- C84 F60 N12 O12 -","4","2","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0457","0.0353","","","0.0813","0.085","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050220","11.277","0.0016","9.1335","0.001","13.561","0.002","90","","101.044","0.017","90","","1370.9","0.3","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexa-2-thienylcyclotrphosphazene","","- C24 H18 N3 P3 S6 -","- C24 H18 N3 P3 S6 -","- C48 H36 N6 P6 S12 -","2","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.0284","0.0268","","","0.0712","0.0722","","","","","","1.045","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050246","9.3614","0.0012","9.8737","0.0012","24.449","0.004","90","","90.81","0.03","90","","2259.6","0.5","150","","150","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C38 H60 Cl2 N8 O8 Ru S2 -","- C38 H60 Cl2 N8 O8 Ru S2 -","- C76 H120 Cl4 N16 O16 Ru2 S4 -","2","1","","Hotze, Anna C. G.; Kooijman, Huub; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan","Synthesis and characterization of ruthenium(ii) complexes with the new ligand 2-phenylazopyridine-5-sulfonic acid (Hsazpy): in search for new anticancer agents","New Journal of Chemistry","2004","28","5","565","","10.1039/b313746e","","x-ray","0.71073","MoKα","","0.0706","0.0577","","","0.1253","0.1348","","","","","","1.057","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050289","4.0185","0.0001","19.4997","0.0006","7.2382","0.0003","90","","92.118","0.005","90","","566.79","0.03","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13 Cl Cu N2 O3 -","- C9 H13 Cl Cu N2 O3 -","- C18 H26 Cl2 Cu2 N4 O6 -","2","1","","N.Tounsi; L.Dupont; C.Cadiou; A.Mohamadou; R.Plantier-Royon; F.Massicot; C.Portella; M.Aplincourt","Complexes of amidic ligands derived from lactic acid: Equilibrium, synthesis and crystal structure of copper(II) complexes.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","Mo-Kα","","0.024","0.021","","0.04","","0.029","","","1.069","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050290","4.0535","0.0001","19.3293","0.0007","7.3828","0.0002","90","","92.357","0.005","90","","577.96","0.03","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13 Br Cu N2 O3 -","- C9 H10 Br Cu N2 O3 -","- C18 H20 Br2 Cu2 N4 O6 -","2","1","","N.Tounsi; L.Dupont; C.Cadiou; A.Mohamadou; R.Plantier-Royon; F.Massicot; C.Portella; M.Aplincourt","Complexes of amidic ligands derived from lactic acid: Equilibrium, synthesis and crystal structure of copper(II) complexes.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","Mo-Kα","","0.049","0.033","","0.067","","0.041","","","1.262","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050328","8.3278","0.0018","16.118","0.003","12.848","0.003","90","","100.39","0.008","90","","1696.3","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis((-)-sparteine)tetrachlorotetracopper(I)","bis((-)-sparteine)tetrachlorotetracopper(I)","","- C30 H52 Cl4 Cu4 N4 -","- C30 H52 Cl4 Cu4 N4 -","- C60 H104 Cl8 Cu8 N8 -","2","1","","A.Johansson; M.Vestergren; M.Hakansson; B.Gustafsson; S.Jagner","Unexpected structural similarity between the chlorocopper(I) unit and the methyllithium and phenyllithium units. First complexes between (-)-sparteine and copper(I) chloride: synthesis and structural characterisation.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0592","0.0527","","","0.142","0.1457","","","","","","1.058","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050344","10.90867","0.00064","6.80368","0.00033","20.2917","0.0011","90","","101.234","0.0032","90","","1477.18","0.14","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-p-tolyl-methyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C32 H44 O6 S -","- C32 H44 O6 S -","- C64 H88 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050345","11.29099","0.00077","6.80314","0.00038","19.5173","0.0012","90","","92.6367","0.0039","90","","1497.62","0.16","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-p-tolyl-methyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C32 H44 O6 S -","- C32 H44 O6 S -","- C64 H88 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050346","11.0918","0.0013","6.75768","0.00064","20.5605","0.0023","90","","102.46","0.0065","90","","1504.81","0.28","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-p-tolyl-methoxy-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C32 H44 O7 S -","- C32 H44 O7 S -","- C64 H88 O14 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050347","10.9476","0.0012","6.79373","0.00076","20.2718","0.0024","90","","101.389","0.0074","90","","1478.03","0.29","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-p-tolyl-bromo-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C31 H41 Br O6 S -","- C31 H41 Br O6 S -","- C62 H82 Br2 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050348","11.3389","0.0022","6.8185","0.0012","19.4289","0.0036","90","","93.532","0.019","90","","1499.28","0.48","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-p-tolyl-bromo-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C31 H41 Br O6 S -","- C31 H41 Br O6 S -","- C62 H82 Br2 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050349","10.9989","0.0011","6.763","0.00061","19.8905","0.0022","90","","92.525","0.011","90","","1478.13","0.26","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-tolyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C31 H42 O6 S -","- C31 H42 O6 S -","- C62 H84 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050383","5.764","0.005","16.888","0.012","6.447","0.004","90","","115.2","0.07","90","","567.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 S -","- C9 H17 N O2 S -","- C18 H34 N2 O4 S2 -","2","1","","Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen","Hydrogen bonds in “push-pull” enamines","New J. Chem.","2004","28","12","1562","1567","10.1039/b409254f","","","0.71073","MoKα","","0.1155","0.0531","","","0.1334","0.1522","","","","","","0.965","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050387","21.8152","0.0003","7.5781","0.0001","22.956","0.0004","90","","114.209","0.0007","90","","3461.28","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[8-(3'-Boc-(L)-phenylalanyloxy-2'-hydroxyphenyl)-(5,6) -benzo-3-methyl-1-phenyl-4,7-diazaocta-2,7-dien-1 -onato(2-)]nickel(II) dihydrate","","- C37 H39 N3 Ni O8 -","- C37 H39 N3 Ni O8 -","- C148 H156 N12 Ni4 O32 -","4","2","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","","1.54178","CuKα","","0.0606","0.0437","","","0.1121","0.1205","","","","","","1.03","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050412","10.017","0.001","9.245","0.002","11.062","0.001","90","","112.073","0.007","90","","949.3","0.2","296.2","","296.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C44 H60 O4 -","2","1","","Banwell, Martin G.; Hockless, David C. R.; McLeod, Malcolm D.","Chemoenzymatic total syntheses of the sesquiterpene (‒)-patchoulenoneAspects of this work have been reported in preliminary form: M. Banwell and M. McLeod, Chem. Commun., 1998, 1851.","New Journal of Chemistry","2003","27","1","50","","10.1039/b206372g","","","1.5418","CuKα","","0.108","0.0417","","0.0394","","0.0329","","","1.511","","","1.79","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050556","12.078","0.002","19.01","0.004","18.01","0.004","90","","97.77","0.03","90","","4097.2","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Na(Ru(L')(N)(H2O)).1.4H2O","","","- C10 H20.8 N3 Na O6.4 Ru -","- C10 H12.8 N3 Na O6.4 Ru -","- C100 H128 N30 Na10 O64 Ru10 -","10","5","","Pal, Pankaj K.; Drew, Michael G. B.; Truter, Mary R.; Tocher, Derek A.; Datta, Dipankar","Light-assisted synthesis of a Ru(vi) nitrido complex by the reaction of azide with a Ru(iii) complex","New Journal of Chemistry","2003","27","5","786","","10.1039/b301150j","","","0.71073","MoKα","","0.066","0.0609","","0.1697","0.1597","","","","1.055","1.061","1.061","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050646","10.454","0.002","6.374","0.0013","12.338","0.003","90","","98.96","0.03","90","","812.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 B N6 Tl -","- C16 H14 B N6 Tl -","- C32 H28 B2 N12 Tl2 -","2","1","","Davies, Graham M.; Jeffery, John C.; Ward, Michael D.","Chiral coordination polymers based on thallium(i) complexes of new bis- and tris(pyrazolyl)borate ligands with externally-directed 4-pyridyl groups","New Journal of Chemistry","2003","27","11","1550","","10.1039/b306659b","","","0.71073","MoKα","","0.0407","0.037","","","0.0773","0.0785","","","","","","0.999","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050679","12.129","0.003","11.168","0.001","13.627","0.003","90","","108.6","0.02","90","","1749.5","0.6","294","","294","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C44 H34 N8 -","- C44 H26 N8 -","- C88 H52 N16 -","2","1","","Zimmer, Bertrand; Bulach, Véronique; Drexler, Cathy; Erhardt, Sabine; Hosseini, Mir Wais; De Cian, André","Design, synthesis, structural analysis and atropoisomerisation studies of polynucleating ligands based on porphyrins bearing catechol units","New Journal of Chemistry","2002","26","1","43","57","10.1039/b104084g","","","0.71073","Mo-Kα","","0.259","0.042","","0.21","","0.048","","","4.608","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050731","10.589","0.002","8.5424","0.0017","23.835","0.005","90","","90.3","0.003","90","","2156","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H31 Ag F6 N O5 P -","- C16 H31 Ag F6 N O5 P -","- C64 H124 Ag4 F24 N4 O20 P4 -","4","2","","Arya, Pious; Channa, Asif; Cragg, Peter J.; Prince, Paul D.; Steed, Jonathan W.","C-Donor lariat ether 'scorpionates'","New Journal of Chemistry","2002","26","4","440","","10.1039/b108522k","","","0.71073","MoKα","","0.062","0.0521","","","0.1189","0.1225","","","","","","1.063","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050806","7.3857","0.0002","25.4539","0.001","9.5109","0.0004","90","","93.872","0.003","90","","1783.92","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 N O6 P -","- C17 H24 N O6 P -","- C68 H96 N4 O24 P4 -","4","2","","Gardner, Stuart; Motevalli, Majid; Shastri, Kirtida; Sullivan, Alice C.; Wyatt, Peter B.","Synthetic and structural chemistry of enantiomerically pure 1-phenyl-2-carboxyethylphosphonic acid and its derivativesElectronic supplementary information (ESI) available: Tables S1‒6. See http://www.rsc.org/suppdata/nj/b1/b111244a/","New Journal of Chemistry","2002","26","4","433","","10.1039/b111244a","","","0.71073","MoKα","","0.1234","0.0587","","","0.0966","0.1166","","","","","","0.974","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050811","10.2033","0.0005","16.3289","0.0008","11.7551","0.0005","90","","96.269","0.003","90","","1946.79","0.16","183.2","","183.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl8 N P2 Pd S -","- C34 H31 Cl8 N P2 Pd S -","- C68 H62 Cl16 N2 P4 Pd2 S2 -","2","1","","Faller, Jack W.; Lloret-Fillol, Julio; Parr, Jonathan","Complexes of elements of groups 9 and 10 with new chiral chelating bisphosphine monosulfide and monoselenide ligands","New Journal of Chemistry","2002","26","7","883","","10.1039/b111422k","","","0.7107","MoKα","","0.0629","0.036","","0.049","","0.041","","","0.987","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050814","10.2048","0.0003","16.3146","0.0009","11.7788","0.0005","90","","96.615","0.003","90","","1947.96","0.15","183.2","","183.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl8 N P2 Pt S -","- C34 H31 Cl8 N P2 Pt S -","- C68 H62 Cl16 N2 P4 Pt2 S2 -","2","1","","Faller, Jack W.; Lloret-Fillol, Julio; Parr, Jonathan","Complexes of elements of groups 9 and 10 with new chiral chelating bisphosphine monosulfide and monoselenide ligands","New Journal of Chemistry","2002","26","7","883","","10.1039/b111422k","","","0.7107","MoKα","","0.0606","0.045","","0.056","","0.051","","","1.18","","","1.22","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050828","10.639","0.004","13.019","0.004","13.141","0.005","90","","102.691","0.015","90","","1775.7","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H26 Ag2 B2 F8 N10 -","- C28 H26 Ag2 B2 F8 N10 -","- C56 H52 Ag4 B4 F16 N20 -","2","1","","Dong, Guo; Cheng, He; Chun-Ying, Duan; Chun-Qi, Qian; Qing-Jin, Meng","The synthesis and structural characterisation of helical silver(i) complexes with short bis(pyridylimine) ligands","New Journal of Chemistry","2002","26","6","796","","10.1039/b111661b","","","0.71073","MoKα","","0.257","0.0762","","","0.071","0.1004","","","","","","1.039","","","","has coordinates,has disorder","180062","2020-10-21","18:00:00",""
"7050839","5.808","0.001","10.75","0.002","14.772","0.003","90","","93.44","0.03","90","","920.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3-{(R,S)-(ferrocene-1,1'-dicarbonyl)}-O-methyl-alpha-D-glucopyranoside","","- C19 H22 Fe O9 -","- C19 H22 Fe O9 -","- C38 H44 Fe2 O18 -","2","1","","Hartinger, Christian G.; Nazarov, Alexey A.; Arion, Vladimir B.; Giester, Gerald; Jakupec, Michael; Galanski, Markus; Keppler, Bernhard K.","Novel glucose-ferrocenyl derivatives: synthesis and properties","New Journal of Chemistry","2002","26","6","671","","10.1039/b200701k","","","0.71073","MoKα","","0.0309","0.0272","","","0.0622","0.0635","","","","","","1.042","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7050937","8.7182","0.0009","14.0483","0.0015","16.2655","0.0018","90","","101.879","0.002","90","","1949.5","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Br N2 -","- C21 H25 Br N2 -","- C84 H100 Br4 N8 -","4","2","","Cole, Marcus L.; Jones, Cameron; Junk, Peter C.","Studies of the reactivity of N-heterocyclic carbenes with halogen and halide sources","New Journal of Chemistry","2002","26","10","1296","","10.1039/b204422f","","","0.71073","MoKα","","0.0583","0.0424","","","0.0933","0.0992","","","","","","0.943","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051001","9.907","0.002","12.579","0.003","21.288","0.004","90","","98.9","0.03","90","","2621","1","295","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C136 H104 N8 O16 -","4","2","","Jacek Gawronski; Marcin Kwit; Urszula Rychlewska","Induced Homohelicity of Diphenimide Bis-propellers","New Journal of Chemistry","2002","","","","","10.1039/b207375g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051018","7.455","0.003","10.0294","0.0013","10.568","0.005","90","","109.2","0.02","90","","746.2","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","ferroceneylaspartic acid","","","- C15 H15.668 Fe N O5.334 -","- C15 H15 Fe N O5.334 -","- C30 H30 Fe2 N2 O10.668 -","2","1","","Baker, Murray V.; Kraatz, Heinz-Bernhard; Wilson Quail, J.","Solvent effects on the redox properties of ferrocenoyl-dipeptides","New Journal of Chemistry","2001","25","3","427","","10.1039/b005125j","","","0.71069","MoKα","","0.0296","0.0216","","","0.0544","0.0565","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051029","9.309","0.002","12.306","0.004","13.322","0.003","90","","104.8","0.02","90","","1475.5","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R)-N-(5-methyl-3-pyrazolyl)bornane-10,2-sultam","","- C14 H21 N3 O2 S -","- C14 H21 N3 O2 S -","- C56 H84 N12 O8 S4 -","4","2","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.033","0.0301","","","0.0816","0.0823","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051060","12.748","0.004","13.181","0.004","13.847","0.004","90","0.03","107.04","0.03","90","0.02","2224.6","1.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H45 Cl2 F0 N7 Na0 O14 P0 Ru -","- C44 H45 Cl2 N7 O14 Ru -","- C88 H90 Cl4 N14 O28 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0795","0.055","","","0.1326","0.1469","","","","","","1.025","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051078","10.78","0.002","15.226","0.003","11.158","0.002","90","","103.235","0.004","90","","1782.9","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 Co N6 O4 S2 -","- C38 H32 Co N6 O4 S2 -","- C76 H64 Co2 N12 O8 S4 -","2","1","","Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.","Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051092","11.008","0.003","18.305","0.003","10.524","0.006","90","","109.91","0.03","90","","1993.9","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 N4 O4 -","- C48 H48 N4 O4 -","- C96 H96 N8 O8 -","2","1","","Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.","Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds","New Journal of Chemistry","2001","25","3","391","","10.1039/b009667i","","","0.71069","MoKα","","0.2081","0.0511","","","0.104","0.1465","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051103","9.0532","0.0004","18.5975","0.0009","13.4262","0.0008","90","","92.218","0.002","90","","2258.8","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H52 N2 P2 S2 -","- C54 H52 N2 P2 S2 -","- C108 H104 N4 P4 S4 -","2","1","","Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe","New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization","New Journal of Chemistry","2001","25","8","1015","","10.1039/b100217l","","","0.71069","MoKα","","0.0689","0.0425","","","0.0753","0.0829","","","","","","0.992","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051131","7.313","0.001","15.94","0.003","9.421","0.002","90","","97.49","0.03","90","","1088.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(5-methyl-2-pyridyl)aminomethane-1,1-diphosphonic acid","","- C7 H12 N2 O6 P2 -","- C7 H12 N2 O6 P2 -","- C28 H48 N8 O24 P8 -","4","2","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0909","0.089","","","0.2504","0.25","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051150","9.417","0.003","11.007","0.003","12.204","0.002","90","","98.31","0.02","90","","1251","1","20","","20","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H26 Ag F3 N2 O5 S -","- C48 H52 Ag2 F6 N4 O10 S2 -","- C48 H52 Ag2 F6 N4 O10 S2 -","","","","Ma, Shuang-Cheng; Wu, Shuang-Ding","Synthesis & Structure of Infinite Single Stranded Coordination Polymers of Optically Active Bis(oxazoline) Ligands With Ag Trifluoromethanesulfonate","New Journal of Chemistry","2001","","","","","","","","","","","","0.054","","","0.069","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051151","14.684","0.004","10.869","0.003","16.467","0.006","90","","109.14","0.02","90","","2483","1","20","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H44 Ag2 F6 N4 O11 S2 -","- C88 H84 Ag4 F12 N8 O22 S4 -","- C88 H84 Ag4 F12 N8 O22 S4 -","","","","Ma, Shuang-Cheng; Wu, Shuang-Ding","Synthesis & Structure of Infinite Single Stranded Coordination Polymers of Optically Active Bis(oxazoline) Ligands With Ag Trifluoromethanesulfonate","New Journal of Chemistry","2001","","","","","","","","","","","","0.057","","","0.069","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051176","9.2002","0.0011","13.4712","0.0016","13.7964","0.0016","90","","97.574","0.003","90","","1695","0.3","566","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 Cr N3 O8 P -","- C38 H29 Cr N3 O8 P -","- C76 H58 Cr2 N6 O16 P2 -","2","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051177","9.2221","0.0005","13.471","0.003","13.8725","0.0017","90","","97.418","0.007","90","","1709","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 As Cr N3 O8 -","- C38 H29 As Cr N3 O8 -","- C76 H58 As2 Cr2 N6 O16 -","2","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051231","11.064","0.003","18.385","0.006","11.155","0.003","90","","110.465","0.015","90","","2125.8","1.1","105","","105","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H70 B K N4 O3 -","- C42 H50 B K N4 O3 -","- C84 H100 B2 K2 N8 O6 -","2","1","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","0.71069","MoKα","","","0.094","","","","0.0904","","","","","","1.6176","","","","has coordinates,has disorder","210743","2020-10-21","18:00:00",""
"7051234","13.662","0.002","33.992","0.005","13.985","0.002","90","","119.107","0.007","90","","5674.1","1.6","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 B N4 Tl -","- C30 H44 B N4 Tl -","- C240 H352 B8 N32 Tl8 -","8","4","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210743","2020-10-21","18:00:00",""
"7051262","13.3492","0.0007","25.9398","0.0013","13.5326","0.0008","90","","118.966","0.0015","90","","4099.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H99 Cl5 Gd4 N6 O52 -","- C30 H47 Cl5 Gd4 N6 O52 -","- C60 H94 Cl10 Gd8 N12 O104 -","2","1","","Ma, Bao-Qing; Zhang, Da-Shun; Gao, Song; Jin, Tian-Zhu; Yan, Chun-Hua","The formation of Gd4O4 cubane cluster controlled by L-valine","New Journal of Chemistry","2000","24","5","251","","10.1039/a910181k","","","0.71073","MoKα","","0.1156","0.0769","","","0.1873","0.2174","","","","","","1.065","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051335","4.8037","0.001","11.005","0.002","10.871","0.002","90","","95.63","0.03","90","","571.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H19 Br2 N3 O -","- C5 H18 Br2 N3 O -","- C10 H36 Br4 N6 O2 -","2","1","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051515","8.4703","0.0014","7.9","0.0013","8.9145","0.0015","90","","111.568","0.003","90","","554.75","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","1,3-dimethyl-4,5-dicyanoimidazolium methylsulfate","","","- C8 H10 N4 O4 S -","- C8 H7 N4 O4 S -","- C16 H14 N8 O8 S2 -","2","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0379","0.034","","","0.0965","0.0986","","","","","","1.087","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051535","11.4271","0.001","6.9958","0.0019","15.189","0.003","90","","98.054","0.011","90","","1202.3","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","25R,5beta-spirostane-1beta,3alpha-diol","","","- C27 H44 O4 -","- C27 H44 O4 -","- C54 H88 O8 -","2","1","","Munro, Orde Q.; du Toit, Karen; Drewes, Siegfried E.; Crouch, Neil R.; Mulholland, Dulcie A.","Experimental and theoretical studies of a naturally occurring non-oligomeric steroidal supramolecular zipper","New Journal of Chemistry","2006","30","2","197","","10.1039/b513734a","","","0.71073","MoKα","","0.0414","0.038","","","0.1006","0.1038","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051547","14.2314","0.0011","12.7251","0.0011","15.5407","0.0012","90","","98.313","0.004","90","","2784.8","0.4","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C20 H35 Cl2 N7 Ni O8 -","- C20 H35 Cl2 N7 Ni O8 -","- C80 H140 Cl8 N28 Ni4 O32 -","4","2","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.1285","0.1009","","","0.2005","0.2187","","","","","","1.151","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051604","5.3358","0.0004","9.4799","0.0007","8.319","0.0008","90","","106.989","0.009","90","","402.44","0.06","123","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","2H-5-Nitrotetrazole","2H-5-Nitrotetrazole","","- C H N5 O2 -","- C H N5 O2 -","- C4 H4 N20 O8 -","4","2","","Klapötke, Thomas M.; Sabaté, Carles Miró; Stierstorfer, Jörg","Neutral 5-nitrotetrazoles: easy initiation with low pollution","New Journal of Chemistry","2009","33","1","136","","10.1039/b812529e","","","0.71073","MoKα","","0.0821","0.0274","","","0.0402","0.0497","","","","","","0.835","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051628","8.177","0.0002","14.841","0.0005","10.595","0.0003","90","","94.839","0.001","90","","1281.17","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 B N O3 -","- C33 H30 B N O3 -","- C66 H60 B2 N2 O6 -","2","1","","Galbraith, Ewan; Kelly, Andrew M.; Fossey, John S.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Bull, Steven D.; James, Tony D.","Dynamic covalent self-assembled macrocycles prepared from 2-formyl-aryl-boronic acids and 1,2-amino alcohols","New J. Chem.","2009","33","1","181","185","10.1039/B815138E","","","0.71073","MoKα","","0.0681","0.0514","","","0.1221","0.1329","","","","","","1.031","","","","has coordinates","282882","2023-04-27","15:29:00",""
"7051629","12.827","0.0002","9.1145","0.0002","13.5149","0.0003","90","","90.4398","0.001","90","","1580","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 B2 Cl6 N2 O3 -","- C26 H32 B2 Cl6 N2 O3 -","- C52 H64 B4 Cl12 N4 O6 -","2","1","","Galbraith, Ewan; Kelly, Andrew M.; Fossey, John S.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Bull, Steven D.; James, Tony D.","Dynamic covalent self-assembled macrocycles prepared from 2-formyl-aryl-boronic acids and 1,2-amino alcohols","New J. Chem.","2009","33","1","181","185","10.1039/B815138E","","","0.71073","MoKα","","0.0475","0.0437","","","0.1027","0.1059","","","","","","1.038","","","","has coordinates,has disorder","282882","2023-04-27","15:29:01",""
"7051680","7.9835","0.0003","20.8163","0.0007","11.023","0.0004","90","","101.777","0.002","90","","1793.32","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Cu N2 O5 -","- C20 H22 Cu N2 O5 -","- C80 H88 Cu4 N8 O20 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Woggon, Wolf-D.","In search of enantioselective catalysts for the Henry reaction: are two metal centres better than one?","New Journal of Chemistry","2009","33","5","1064","","10.1039/b821995h","","","0.71073","MoKα","","0.0411","0.0235","","0.037","0.0262","0.0262","","","","","","1.0676","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051805","7.6156","0.0003","4.9837","0.0002","10.3119","0.0004","90","","95.53","0.001","90","","389.55","0.03","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","C H N4 O5, C2 H4 N3","","","- C3 H5 N7 O5 -","- C3 H5 N7 O5 -","- C6 H10 N14 O10 -","2","1","","Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M.","Dense energetic salts of N,N′-dinitrourea (DNU)","New Journal of Chemistry","2008","32","2","317","","10.1039/b712417a","","","0.71073","MoKα","","0.0266","0.0255","","","0.0655","0.0662","","","","","","1.091","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051842","8.5668","0.0009","12.2524","0.0011","9.3375","0.001","90","","103.982","0.012","90","","951.06","0.17","220","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl2 N4 O3 -","- C16 H20 Cl2 N4 O3 -","- C32 H40 Cl4 N8 O6 -","2","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.043","","","","0.042","","","","","","1.49","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051844","11.4467","0.001","9.5194","0.0006","13.1539","0.001","90","","108.81","0.009","90","","1356.77","0.19","200","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","2","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.032","","","","0.031","","","","","","1.5","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051845","4.6354","0.0005","10.4827","0.0015","10.2152","0.0012","90","","101.112","0.013","90","","487.07","0.11","220","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C20 H20 N4 O6 -","2","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.031","","","","0.031","","","","","","1.66","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051955","13.5552","0.0009","10.8734","0.0006","14.9307","0.001","90","","111.653","0.001","90","","2045.4","0.2","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H50 O2 S4 -","- C46 H50 O2 S4 -","- C92 H100 O4 S8 -","2","1","","Habashneh, Almeqdad; Jablonski, Chester R.; Collins, Julie; Georghiou, Paris E.","Reactions of thiacalix[4]arene 1,3-bistriflate: formation of thiacalix[2]phenoxathiins—structural and complexation studies","New Journal of Chemistry","2008","32","9","1590","","10.1039/b801483c","","","0.7107","MoKα","","0.0391","0.0388","","","0.1028","0.1034","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051976","24.605","0.006","14.569","0.004","10.318","0.003","90","","91.82","0.02","90","","3696.8","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O12 -","- C37 H45 N O12 -","- C148 H180 N4 O48 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","1.54178","CuKα","","0.105","0.059","","","0.1557","0.2013","","","","","","1.063","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051977","24.618","0.005","14.588","0.005","10.278","0.005","90","","92.48","0.05","90","","3688","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O12 -","- C37 H45 N O12 -","- C148 H180 N4 O48 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","1.54178","CuKα","","0.1339","0.0579","","","0.119","0.1494","","","","","","0.873","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051978","11.764","0.005","15.876","0.005","12.222","0.005","90","","112.34","0.05","90","","2111.3","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H50 Cl3 N O14 -","- C38 H50 Cl3 N O14 -","- C76 H100 Cl6 N2 O28 -","2","1","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","1.54178","CuKα","","0.1252","0.076","","","0.189","0.2529","","","","","","0.917","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051979","13.842","0.0008","19.863","0.001","16.721","0.001","90","","91.709","0.001","90","","4595.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H59 N3 O15 -","- C43 H59 N3 O15 -","- C172 H236 N12 O60 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","0.71073","MoKα","","0.068","0.0547","","","0.1426","0.1522","","","","","","1.034","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051999","7.7768","0.0016","7.4072","0.0011","21.297","0.005","90","","92.861","0.017","90","","1225.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","aprepitant, form II","","","- C23 H21 F7 N4 O3 -","- C23 H21 F7 N4 O3 -","- C46 H42 F14 N8 O6 -","2","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Wieser, Josef; Griesser, Ulrich J.","Packing polymorphism of a conformationally flexible molecule (aprepitant)","New Journal of Chemistry","2008","32","10","1677","","10.1039/b805438j","","","0.71069","MoKα","","0.1165","0.0903","","","0.1775","0.1911","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052026","6.2135","0.0002","13.7443","0.0004","7.8355","0.0002","90","","106.172","0.002","90","","642.67","0.03","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","[C2mim][NMes2]","3-ethyl-1-methylimidazolium bis(methanesulfonyl)amide","","- C8 H17 N3 O4 S2 -","- C8 H17 N3 O4 S2 -","- C16 H34 N6 O8 S4 -","2","1","","Dean, Pamela M.; Pringle, Jennifer M.; Forsyth, Craig M.; Scott, Janet L.; MacFarlane, Douglas R.","Interactions in bisamide ionic liquids—insights from a Hirshfeld surface analysis of their crystalline states","New Journal of Chemistry","2008","32","12","2121","","10.1039/b809606f","","","0.71073","MoKα","","0.0256","0.0248","","","0.0614","0.062","","","","","","1.099","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052046","8.8947","0.0006","13.8338","0.0007","10.3037","0.0008","90","","105.603","0.008","90","","1221.12","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H39 Cl2 O2 Tm -","- C21 H39 Cl2 O2 Tm -","- C42 H78 Cl4 O4 Tm2 -","2","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0569","0.0367","","","0.0702","0.0745","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052131","13.0143","0.0014","8.0671","0.0008","17.9287","0.0018","90","","103.636","0.002","90","","1829.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(1R,2S,5R)‒(‒)‒menthoxymethyl]-3-ethylimidazolium chloride hemihydrate","","- C16 H30 Cl N2 O1.5 -","- C16 H29 Cl N2 O1.5 -","- C64 H116 Cl4 N8 O6 -","4","2","","Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers","Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent","New Journal of Chemistry","2007","31","6","879","","10.1039/b616215k","","","0.71073","MoKα","","0.0982","0.0569","","","0.1478","0.1668","","","","","","0.993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052132","9.4408","0.001","34.119","0.004","12.1754","0.0013","90","","90.292","0.002","90","","3921.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(1R,2S,5R)‒(‒)‒menthoxymethyl]-3-propylimidazolium chloride hemihydrate","","- C17 H32 Cl N2 O1.5 -","- C17 H32 Cl N2 O1.5 -","- C136 H256 Cl8 N16 O12 -","8","4","","Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers","Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent","New Journal of Chemistry","2007","31","6","879","","10.1039/b616215k","","","0.71073","MoKα","","0.1361","0.0651","","","0.1222","0.1471","","","","","","0.99","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052145","9.6004","0.0019","11.35","0.002","12.088","0.002","90","","111.91","0.03","90","","1222","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,10-diaza-1,7-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","4,10-diaza-1,7-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","","- C22 H38 N6 O6 -","- C22 H38 N6 O6 -","- C44 H76 N12 O12 -","2","1","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.04","0.0366","","","0.0881","0.0906","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052197","8.42266","0.00014","6.97215","0.000061","8.06305","0.00013","90","","98.6845","0.0014","90","","468.066","0.012","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-dimethylbarbiturate methylammonium","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","1.5406","CuKα","","","","","","","","","","1.23","","","","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052270","8.5221","0.0007","11.804","0.001","14.884","0.001","90","","95.929","0.007","90","","1489.2","0.2","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 Cl3 N6 O2 -","- C29 H35 Cl3 N6 O2 -","- C58 H70 Cl6 N12 O4 -","2","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.54183","CuKα","","","0.051","","","","0.049","","","","","","2.47","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052391","18.344","0.001","16.708","0.001","25.57","0.001","90","","106.406","0.001","90","","7517.9","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H94 Li4 N4 O P4 -","- C72 H89 Li4 N4 O0.5 P4 -","- C288 H356 Li16 N16 O2 P16 -","4","2","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0504","0.0393","","","0.0975","0.102","","","","","","0.998","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052415","8.9882","0.0003","21.8475","0.0009","14.1438","0.0006","90","","97.422","0.001","90","","2754.14","0.19","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H52 N2 Os P2 -","- C25 H50 N2 Os P2 -","- C100 H200 N8 Os4 P8 -","4","2","","Ferrando-Miguel, German; Wu, Peng; Huffman, John C.; Caulton, Kenneth G.","New d4 dihydrides of Ru(iv) and Os(iv) with ?-donor ligands: M(H)2(chelate)(PiPr3)2 with chelate =ortho-XYC6H4 with X, Y = O, NR; R = H or CH3","New Journal of Chemistry","2005","29","1","193","","10.1039/b411487f","","","0.71073","MoKα","","0.0389","0.0322","","","0.0674","0.0698","","","","","","1.032","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052428","8.784","0.0006","28.201","0.003","16.797","0.0009","90","","97.085","0.005","90","","4129.1","0.6","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Compound 6","","- C34 H8 N2 O20 Os6 -","- C34 H8 N2 O20 Os6 -","- C136 H32 N8 O80 Os24 -","4","2","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.0692","0.0495","","","0.1029","0.1116","","","","","","0.986","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052471","9.2675","0.0003","8.1573","0.0003","13.8649","0.0005","90","","102.968","0.001","90","","1021.42","0.06","130","1","130","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-di(S(+)-2-(methoxy)pyrrolidino)-8,8-dicyanoquinodimethane","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C44 H56 N8 O4 -","2","1","","Srinivasa Gopalan, R.; Kulkarni, Giridhar U.; Ravi, M.; Rao, C. N. R.","A charge density study of an intramolecular charge-transfer quinoid compound with strong NLO properties","New Journal of Chemistry","2001","25","9","1108","","10.1039/b103117c","","","0.71073","MoKα","","0.2382","0.1383","","0.2175","0.1803","","","","1.632","1.835","1.835","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052577","15.409","0.003","18.605","0.004","18.404","0.004","90","","102.37","0.03","90","","5154","2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H90 Ag6 O15 S39 W6 Yb2 -","- C30 H78 Ag6 O15 S39 W6 Yb2 -","- C60 H156 Ag12 O30 S78 W12 Yb4 -","2","1","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons","New Journal of Chemistry","2011","35","2","328","","10.1039/c0nj00674b","","","0.71073","MoKα","","0.0258","0.0249","","","0.0452","0.0456","","","","","","0.957","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052582","7.856","0.002","7.767","0.002","17.596","0.006","90","","95.93","0.02","90","","1067.9","0.5","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","E,E-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,4,5- trimethoxyphenyl)ethenyl)benzene","E,E-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C50 H46 N2 O10 -","2","1","","Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank","Asymmetrically substituted distyrylbenzenes and their polar crystal structures","New Journal of Chemistry","2011","35","3","649","","10.1039/c0nj00732c","","","0.71073","MoKα","","0.1057","0.0449","","","0.1091","0.1356","","","","","","1.047","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052584","7.219","0.002","7.402","0.002","18.163","0.005","90","","95.29","0.03","90","","966.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,5- dimethoxyphenyl)ethenyl)benzene","(E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank","Asymmetrically substituted distyrylbenzenes and their polar crystal structures","New Journal of Chemistry","2011","35","3","649","","10.1039/c0nj00732c","","","0.71073","MoKα","","0.0875","0.0594","","","0.1419","0.1752","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052606","18.139","0.005","21.311","0.005","22.34","0.006","90","","90.915","0.003","90","","8635","4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H104 Br2 N34 O34 -","- C66 H72 Br2.0013 N34 O18 -","- C264 H288 Br8.0052 N136 O72 -","4","2","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.077","0.0599","","","0.1571","0.1666","","","","","","1.055","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052715","9.8264","0.0002","11.8915","0.0002","16.8036","0.0004","90","","100.463","0.002","90","","1930.86","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H19 F6 N4 O2 P Pd -","- C14 H19 F6 N4 O2 P Pd -","- C56 H76 F24 N16 O8 P4 Pd4 -","4","2","","Jozak, Thomas; Sun, Yu; Thiel, Werner R.","Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles","New Journal of Chemistry","2011","35","10","2114","","10.1039/c1nj20148d","","","1.54184","CuKα","","0.0327","0.0317","","","0.0763","0.0768","","","","","","1.051","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052734","10.1721","0.0006","10.7282","0.0006","17.82","0.0011","90","","102.958","0.001","90","","1895.15","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sad179","","","- C39 H47 B Mn N3 O6 -","- C39 H47 B Mn N3 O6 -","- C78 H94 B2 Mn2 N6 O12 -","2","1","","Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.","Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes","New Journal of Chemistry","2011","35","10","2169","","10.1039/c1nj20222g","","","0.71073","MoKα","","0.036","0.0305","","","0.0754","0.0828","","","","","","1.022","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052735","10.228","0.0017","10.8316","0.0018","18.363","0.003","90","","100.083","0.002","90","","2002.9","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sad174","","","- C41 H51 B N3 O6 Re -","- C41 H51 B N3 O6 Re -","- C82 H102 B2 N6 O12 Re2 -","2","1","","Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.","Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes","New Journal of Chemistry","2011","35","10","2169","","10.1039/c1nj20222g","","","0.71073","MoKα","","0.026","0.0219","","","0.0504","0.0662","","","","","","0.983","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052737","8.2431","0.0007","8.5307","0.0007","17.2481","0.0014","90","","91.802","0.002","90","","1212.28","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl Ir P -","- C27 H35 Cl Ir P -","- C54 H70 Cl2 Ir2 P2 -","2","1","","Campos, Jesús; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and reactivity of half-sandwich (η5-C5Me5)Ir(iii) complexes of a cyclometallated aryl phosphine ligand","New Journal of Chemistry","2011","35","10","2122","","10.1039/c1nj20244h","","","0.71073","MoKα","","0.0586","0.0435","","","0.0934","0.0988","","","","","","1.051","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052740","8.459","0.004","8.524","0.004","17.285","0.008","90","","93.025","0.018","90","","1244.6","1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 Ir P -","- C28 H38 Ir P -","- C56 H76 Ir2 P2 -","2","1","","Campos, Jesús; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and reactivity of half-sandwich (η5-C5Me5)Ir(iii) complexes of a cyclometallated aryl phosphine ligand","New Journal of Chemistry","2011","35","10","2122","","10.1039/c1nj20244h","","","0.71073","MoKα","","0.0585","0.0333","","","0.0498","0.0542","","","","","","0.87","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052787","10.77497","0.00019","6.30036","0.00011","12.5202","0.0007","90","","92.0681","0.0009","90","","849.4","0.05","93.1","","93.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Huang, Yiyong; Suzuki, Satoru; Liu, Guokai; Tokunaga, Etsuko; Shiro, Motoo; Shibata, Norio","Asymmetric synthesis of chiral trifluoromethylated heliotridane via highly catalytic asymmetric Friedel‒Crafts alkylation with β-trifluoromethylated acrylates and pyrroles","New Journal of Chemistry","2011","35","11","2614","","10.1039/c1nj20550a","","","1.54187","CuKα","","","0.0243","","","","0.0617","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052834","10.674","0.006","8.769","0.004","11.811","0.004","90","","116.21","0.02","90","","991.8","0.8","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Alba, Andrea-Nekane R.; Valero, Guillem; Calbet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective addition of oxazolones to maleimides. An easy entry to quaternary aminoacids","New Journal of Chemistry","2012","36","3","613","","10.1039/c1nj20659a","","","0.71073","MoKα","","0.0364","0.0363","","","0.0968","0.0969","","","","","","1.27","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052839","6.2866","0.001","11.646","0.002","10.3067","0.0017","90","","93.367","0.003","90","","753.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H7 N7 O11 -","- C10 H7 N7 O11 -","- C20 H14 N14 O22 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0255","0.0236","","","0.0558","0.0581","","","","","","0.506","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052848","7.4285","0.0004","5.748","0.0002","7.6305","0.0004","90","","118.462","0.006","90","","286.43","0.03","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H6 N2 -","- C7 H6 N2 -","- C14 H12 N4 -","2","1","","González, J. J. L.; Ureña, F. P.; Moreno, J. R. A.; Mata, I.; Molins, E.; Claramunt, R. M.; López, C.; Alkorta, I.; Elguero, J.","The chiral structure of 1H-indazoles in the solid state: a crystallographic, vibrational circular dichroism and computational study","New Journal of Chemistry","2012","36","3","749","","10.1039/c2nj20820b","","","1.5418","CuKα","","0.0477","0.0475","","","0.1297","0.1298","","","","","","1.134","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052908","10.27","0.0017","12.8186","0.0016","20.588","0.003","90","","93.281","0.008","90","","2705.9","0.7","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(bis(mu-(R)-2-amino-butan-1-olato-kappaN,O:O)-dibromido- dicopper(ii))-(bis((R)-2-amino-butan-1-ol-kappaN,O)-dibromido- copper(ii))-(((R)-2-amino-butan-1-ol-kappaN,O)-dibromido-methanol- copper(ii))","Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- [bis((R)-2-amino-butan-1-ol-κN,O)-dibromido-copper(II)]- [((R)-2-amino-butan-1-ol-κN,O)-dibromido-methanol-copper(II)]","","- C29 H77 Br8 Cu6 N7 O8 -","- C29 H77 Br8 Cu6 N7 O8 -","- C58 H154 Br16 Cu12 N14 O16 -","2","1","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.1149","0.0649","","","0.126","0.1502","","","","","","1.039","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052909","10.3649","0.0003","12.7064","0.0003","19.3781","0.0005","90","","92.255","0.002","90","","2550.13","0.12","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- bis[((R)-2-amino-butan-1-ol-κN,O)-dibromido-ethanol-copper(II)]","","- C28 H74 Cl8 Cu6 N6 O8 -","- C28 H74 Cl8 Cu6 N6 O8 -","- C56 H148 Cl16 Cu12 N12 O16 -","2","1","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.096","0.0494","","","0.0912","0.1095","","","","","","1.04","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052953","12.3212","0.0007","40.491","0.002","12.8009","0.0007","90","","97.002","0.001","90","","6338.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H90 In N5 O6 -","- C67 H90 In N5 O6 -","- C268 H360 In4 N20 O24 -","4","2","","Ilyakina, Ekaterina V.; Poddel'sky, Andrey I.; Piskunov, Alexandr V.; Fukin, Georgii K.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","The interaction of N,N′-bis(2,6-dimethylphenyl)imidazol-2-ylidene with o-benzosemiquinonato zinc(ii) and indium(iii) complexes","New Journal of Chemistry","2012","36","10","1944","","10.1039/c2nj40490g","","","0.71073","MoKα","","0.0727","0.0633","","","0.1562","0.1621","","","","","","1.034","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052954","12.0425","0.0006","6.0319","0.0003","12.6615","0.0006","90","","106.214","0.005","90","","883.14","0.08","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-(hydroxy(4-methylphenyl)methyl)cyclododecanone","2-[hydroxy(4-methylphenyl)methyl]cyclododecanone","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0706","0.0432","","","0.0846","0.0917","","","","","","0.942","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052971","14.3723","0.0008","6.2614","0.0004","9.1815","0.0005","90","","92.112","0.004","90","","825.69","0.08","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","from C:/Iacopo_serina_ox/lserox_best1.cif","","","- C5 N O7 -","- C5 H7.5 N O7 -","- C20 H30 N4 O28 -","4","2","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","powder diffraction","","1.5406","CuKα","","","","","","","","","","2.85","","","","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052972","4.8832","0.0006","11.9276","0.0014","12.4798","0.0015","90","","92.018","0.01","90","","726.43","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H20 N2 O12 -","- C8 H16 N2 O12 -","- C16 H32 N4 O24 -","2","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","","","0.71073","MoKα","","0.1904","0.0963","","","0.136","0.1693","","","","","","1.149","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052973","12.5711","0.0006","11.2144","0.0005","5.2079","0.0002","90","","100.529","0.003","90","","721.83","0.06","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","from C:/2_1mono/sol2acqua_best8.cif","","","- C8 N2 O12 -","- C8 H16 N2 O12 -","- C16 H32 N4 O24 -","2","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.78","","","","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053088","8.925","0.003","7.601","0.002","26.621","0.008","90","","92.886","0.004","90","","1803.6","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-Bis(S)1,2,3,4-tetrahydronaphtalen-1-yl)urea","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","2","","Trejo-Huizar, Karla Elisa; Ortiz-Rico, Ricardo; Peña-González, María de los Angeles; Hernández-Rodríguez, Marcos","Recognition of chiral carboxylates by 1,3-disubstituted thioureas with 1-arylethyl scaffolds","New Journal of Chemistry","2013","37","9","2610","","10.1039/c3nj00644a","","","0.71073","MoKα","","0.1004","0.0676","","","0.1135","0.1258","","","","","","1.095","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053104","7.6394","0.0009","15.8473","0.0018","8.8524","0.0011","90","","95.036","0.003","90","","1067.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Au Cl3 N3 -","- C22 H19 Au Cl3 N3 -","- C44 H38 Au2 Cl6 N6 -","2","1","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.028","0.0256","","","0.0583","0.0593","","","","","","1.017","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053196","10.7983","0.0011","19.3351","0.0019","13.5576","0.0013","90","","96.192","0.004","90","","2814.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H45 Cl9 N6 O2 Zn -","- C57 H45 Cl9 N6 O2 Zn -","- C114 H90 Cl18 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1532","0.0951","","","0.263","0.308","","","","","","1.05","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053197","10.7272","0.0004","19.2135","0.0007","13.6582","0.0005","90","","95.605","0.002","90","","2801.59","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56.5 H44.5 Cl7.5 N6 O2 Zn -","- C56.5 H44.5 Cl7.5 N6 O2 Zn -","- C113 H89 Cl15 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1317","0.0883","","","0.2441","0.2842","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053198","10.9454","0.0003","17.1422","0.0006","11.7118","0.0004","90","","99.639","0.002","90","","2166.44","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H42 N6 O2 Zn -","- C54 H42 N6 O2 Zn -","- C108 H84 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0685","0.0472","","","0.1129","0.1236","","","","","","1.033","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053234","11.543","0.002","11.5238","0.0017","15.689","0.003","90","","100.072","0.004","90","","2054.8","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Br N2 S -","- C45 H69 Br N2 S -","- C90 H138 Br2 N4 S2 -","2","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Stevenson, Paul J.; Wassell, David F.","Chiral thiouronium salts: synthesis, characterisation and application in NMR enantio-discrimination of chiral oxoanions","New Journal of Chemistry","2013","37","2","515","","10.1039/c2nj40632b","","","0.71075","Molybdenum","","0.0829","0.0535","","","0.063","0.0759","","","","","","0.87","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053312","7.4415","0.0008","20.268","0.002","10.2404","0.0011","90","","107.609","0.001","90","","1472.1","0.3","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Mn N4 O9 S -","- C29 H28 Mn N4 O9 S -","- C58 H56 Mn2 N8 O18 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Supramolecular assembly under the control of the chelating ligand for the MnII/bridging ligands/3-sulfobenzoate system and catalytic properties for the disproportionation of hydrogen peroxide","New Journal of Chemistry","2010","34","11","2403","","10.1039/b9nj00428a","","","0.71073","MoKα","","0.0352","0.033","","","0.0726","0.0739","","","","","","1.032","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053380","16.9671","0.0012","10.0972","0.0007","25.6043","0.0019","90","","104.276","0.002","90","","4251.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H57 N O8 S -","- C49 H57 N O8 S -","- C196 H228 N4 O32 S4 -","4","2","","Patra, Subrata; Maity, Debdeep; Sen, Anik; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Effect of steric crowding on ion selectivity for calix-crown hybrid ionophores: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2010","34","12","2796","","10.1039/b9nj00587k","","","0.71073","MoKα","","0.0914","0.0649","","","0.1264","0.1367","","","","","","1.076","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053467","8.293","0.002","6.0494","0.001","12.923","0.003","90","","98.616","0.017","90","","641","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08170a","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C30 H30 N2 O6 -","2","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.036","0.0307","","","0.0697","0.072","","","","","","1.059","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053468","11.821","0.003","5.9677","0.0017","29.515","0.008","90","","94.257","0.004","90","","2076.4","1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09021a","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C96 H102 N6 O18 -","6","3","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.0682","0.0432","","","0.094","0.1056","","","","","","1.052","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053469","10.959","0.002","6.0746","0.0012","12.943","0.003","90","","102.432","0.003","90","","841.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CMC0772a","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.41328","","","0.0587","0.0388","","","0.0834","0.0926","","","","","","1.052","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053501","5.795","0.005","15.097","0.005","10.982","0.005","90","0.005","99.368","0.005","90","0.005","948","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H16 N2 -","- C30 H16 N2 -","- C60 H32 N4 -","2","1","","Niebel, Claude; Lokshin, Vladimir; Ben-Asuly, Amos; Marine, Wladimir; Karapetyan, Artak; Khodorkovsky, Vladimir","Dibenzo[2,3:5,6]pyrrolizino[1,7-bc]indolo[1,2,3-lm]carbazole: a new electron donor","New Journal of Chemistry","2010","34","7","1243","","10.1039/c0nj00100g","","","0.71073","MoKα","","0.1067","0.085","","","0.1975","0.216","","","","","","1.112","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7053534","8.856","0.0003","13.738","0.0005","15.95","0.0007","90","","99.9596","0.0018","90","","1911.29","0.13","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H49 D6 Ge N O3 Si3 W -","- C35 H54 Ge N O3 Si3 W -","- C70 H108 Ge2 N2 O6 Si6 W2 -","2","1","","Hashimoto, Hisako; Fukuda, Tetsuya; Tobita, Hiromi","Reactions of a hydrido(hydrogermylene)tungsten complex with some heterocumulenes: hydrogermylation and thermal rearrangement","New Journal of Chemistry","2010","34","8","1723","","10.1039/c0nj00137f","","","0.71069","MoKα","","0.0301","0.0274","","","0.0748","0.0824","","","","","","1.145","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053538","7.8825","0.0004","20.1054","0.0011","10.7516","0.0005","90","","91.033","0.003","90","","1703.65","0.15","100","","100","","","","","","","","Sigma Aldrich","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","4","","Albrecht, Merwe; Borba, Ana; Le Barbu-Debus, Katia; Dittrich, Birger; Fausto, Rui; Grimme, Stefan; Mahjoub, Ahmed; Nedić, Marija; Schmitt, Ulrich; Schrader, Lena; Suhm, Martin A.; Zehnacker-Rentien, Anne; Zischang, Julia","Chirality influence on the aggregation of methyl mandelate","New Journal of Chemistry","2010","34","7","1266","","10.1039/c0nj00142b","","","1.54188","","","0.0504","0.0412","","","","0.0488","","","","","","2.2645","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053539","11.0955","0.0009","7.8081","0.0005","19.7538","0.0016","90","","104.259","0.005","90","","1658.6","0.2","100","","100","","","","","","","","Sigma Aldrich","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","4","","Albrecht, Merwe; Borba, Ana; Le Barbu-Debus, Katia; Dittrich, Birger; Fausto, Rui; Grimme, Stefan; Mahjoub, Ahmed; Nedić, Marija; Schmitt, Ulrich; Schrader, Lena; Suhm, Martin A.; Zehnacker-Rentien, Anne; Zischang, Julia","Chirality influence on the aggregation of methyl mandelate","New Journal of Chemistry","2010","34","7","1266","","10.1039/c0nj00142b","","","1.5418","","","0.0479","0.0294","","","","0.0264","","","","","","1.9895","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053698","12.8416","0.001","8.7033","0.0007","13.7476","0.0011","90","","96.649","0.002","90","","1526.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H40 N8 O5 S2 -","- C29 H40 N8 O5 S2 -","- C58 H80 N16 O10 S4 -","2","1","","Blondeau, Pascal; Benet-Buchholz, Jordi; de Mendoza, Javier","Enthalpy driven nitrate complexation by guanidinium-based macrocycles","New Journal of Chemistry","2007","31","5","736","","10.1039/b616409a","","","0.71073","MoKα","","0.0346","0.0329","","","0.0881","0.0897","","","","","","1.032","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7053734","12.305","0.001","12.911","0.001","19.409","0.002","90","","105.578","0.002","90","","2970.2","0.5","163.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H79 N O4 -","- C70 H69 N O4 -","- C140 H138 N2 O8 -","2","1","","Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander","Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim","New Journal of Chemistry","2008","32","8","1314","","10.1039/b801434p","","","0.7107","MoKα","","0.101","0.0816","","0.0865","","0.0847","","","","","","3.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053735","13.17","0.001","19.498","0.002","14.88","0.002","90","","107.687","0.002","90","","3640.4","0.7","180.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C78 H110 N2 O12 -","- C78 H104 N2 O12 -","- C156 H208 N4 O24 -","2","1","","Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander","Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim","New Journal of Chemistry","2008","32","8","1314","","10.1039/b801434p","","","0.7107","MoKα","","0.0896","0.0582","","0.0634","","0.0587","","","","","","1.674","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053766","10.609","0.0012","6.382","0.0006","30.133","0.004","90","0.009","94.37","0.01","90","0.009","2034.3","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Amphetamine sulphate","","","- C18 H28 N2 O4 S -","- C18 H28 N2 O4 S -","- C72 H112 N8 O16 S4 -","4","2","","Pogorzelec-Glaser, Katarzyna; Kaszyńska, Joanna; Rachocki, Adam; Tritt-Goc, Jadwiga; Piślewski, Narcyz; Pietraszko, Adam","The crystal structure and evidence of the phase transition in d-amphetamine sulfate, as studied by X-ray crystallography, DSC and NMR spectroscopy","New Journal of Chemistry","2009","33","9","1894","","10.1039/b815325f","","","0.71073","MoKα","","0.0671","0.0491","","","0.0886","0.0917","","","","","","1.19","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053793","9.0257","0.0002","17.9691","0.0003","9.0278","0.0002","90","","94.44","0.001","90","","1459.77","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","methyl (Rp)-1',2-bis(diphenylphosphino)ferrocene-1-carboxylate","methyl (Rp)-1',2-bis(diphenylphosphino)ferrocene-1-carboxylate","","- C36 H30 Fe O2 P2 -","- C36 H30 Fe O2 P2 -","- C72 H60 Fe2 O4 P4 -","2","1","","Lamač, Martin; Císařová, Ivana; Štěpnička, Petr","Preparation, coordination and catalytic use of planar-chiral monocarboxylated dppf analogues","New Journal of Chemistry","2009","33","7","1549","","10.1039/b901262a","","","0.71073","MoKα","","0.0314","0.0288","","","0.0811","0.083","","","","","","1.102","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053796","13.0501","0.0007","14.616","0.001","16.703","0.001","90","","111.357","0.005","90","","2967.2","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65 H64 Cl Fe N O9 P2 Pd -","- C57 H48 Cl Fe N O5 P2 Pd -","- C114 H96 Cl2 Fe2 N2 O10 P4 Pd2 -","2","1","","Lamač, Martin; Císařová, Ivana; Štěpnička, Petr","Preparation, coordination and catalytic use of planar-chiral monocarboxylated dppf analogues","New Journal of Chemistry","2009","33","7","1549","","10.1039/b901262a","","","0.71073","MoKα","","0.0681","0.0493","","","0.1002","0.109","","","","","","1.067","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053867","10.13","","6.355","","13.522","","90","","105.71","","90","","837.977","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound X","","","- C18 H20 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa","Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound","New Journal of Chemistry","2014","38","2","730","","10.1039/c3nj00895a","","x-ray","0.71073","MoKα","","0.0458","0.0365","","","0.085","0.0893","","","","","","1.026","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053901","8.102","0.003","25.993","0.006","14.216","0.004","90","","92.42","0.03","90","","2991.2","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30.79 H32.36 F N3 O3.89 P Se -","- C30.785 H32.355 F N3 O3.8925 P Se -","- C123.14 H129.42 F4 N12 O15.57 P4 Se4 -","4","2","","Bykowska, Aleksandra; Starosta, Radosław; Komarnicka, Urszula K.; Ciunik, Zbigniew; Kyzioł, Agnieszka; Guz-Regner, Katarzyna; Bugla-Płoskońska, Gabriela; Jeżowska-Bojczuk, Małgorzata","Phosphine derivatives of ciprofloxacin and norfloxacin, a new class of potential therapeutic agents","New Journal of Chemistry","2014","38","3","1062","","10.1039/c3nj01243c","","","0.71073","MoKα","","0.047","0.0396","","","0.081","0.0844","","","","","","1.026","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053968","5.6218","0.0002","26.6363","0.0011","6.831","0.0002","90","","113.898","0.002","90","","935.2","0.06","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound 3","","","- C20 H22 Cl2 N2 -","- C20 H22 Cl2 N2 -","- C40 H44 Cl4 N4 -","2","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.0473","0.0387","","","0.0841","0.0894","","","","","","1.063","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053971","6.988","0.01","23.822","0.02","9.334","0.05","90","0.009","101.68","","90","0.009","1522","9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","Compound 11","","","- C28 H30 Al Cl4 N3 -","- C28 H30 Al Cl4 N3 -","- C56 H60 Al2 Cl8 N6 -","2","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.0938","0.0617","","","0.1446","0.1627","","","","","","1.031","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053988","11.8749","0.0003","15.7967","0.0004","16.9843","0.0004","90","","100.01","0.002","90","","3137.49","0.14","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67.5 H65 Cl4 Fe2 N4 O0.5 P2 Pd2 -","- C66 H62 Cl4 Fe2 N4 P2 Pd2 -","- C132 H124 Cl8 Fe4 N8 P4 Pd4 -","2","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.0339","0.0294","","","0.0702","0.0727","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054019","9.3382","0.0004","27.1749","0.0012","12.0639","0.0005","90","","102.556","0.002","90","","2988.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N4 O4 -","- C35 H36 N4 O4 -","- C140 H144 N16 O16 -","4","2","","Dhara, Anamika; Jana, Atanu; Guchhait, Nikhil; Ghosh, Prasanta; Kar, Susanta K.","Rhodamine-based molecular clips for highly selective recognition of Al3+ ions: synthesis, crystal structure and spectroscopic properties","New Journal of Chemistry","2014","38","4","1627","","10.1039/c3nj01447a","","","0.71073","MoKα","","0.1231","0.0775","","","0.2001","0.2308","","","","","","1.121","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054127","9.131","0.003","12.369","0.004","9.87","0.004","90","","117.337","0.013","90","","990.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound_1","","","- C12 H32 Co N6 O7 -","- C12 H32 Co N6 O7 -","- C24 H64 Co2 N12 O14 -","2","1","","Piñero Cruz, Dalice M.; Woodruff, Daniel N.; Jeon, Ie-Rang; Bhowmick, Indrani; Secu, Mihail; Hillard, Elizabeth A.; Dechambenoit, Pierre; Clérac, Rodolphe","Switching off the single-molecule magnet properties of the [CoII(Me6tren)(OH2)]2+module by complexation with trans-[RuIII(salen)(CN)2]−","New Journal of Chemistry","2014","38","8","3443","","10.1039/C4NJ00452C","","","0.71073","MoKα","","0.0615","0.0414","","","0.096","0.1185","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054141","14.799","0.003","8.197","0.0014","25.036","0.005","90","","90.744","0.005","90","","3036.8","1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H26 B F3 N2 O3 -","- C41 H26 B F3 N2 O3 -","- C164 H104 B4 F12 N8 O12 -","4","2","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Lewis acid effects on donor‒acceptor associations and redox reactions: ternary complexes of heteroaromatic N-oxides with boron trifluoride and organic donors","New Journal of Chemistry","2009","33","11","2317","","10.1039/b9nj00205g","","","0.71073","MoKα","","0.1589","0.0802","","","0.1716","0.2143","","","","","","1.057","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054145","8.177","0.0002","14.841","0.0005","10.595","0.0003","90","","94.839","0.001","90","","1281.17","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 B N O3 -","- C33 H30 B N O3 -","- C66 H60 B2 N2 O6 -","2","1","","Galbraith, Ewan; Kelly, Andrew M.; Fossey, John S.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Bull, Steven D.; James, Tony D.","Dynamic covalent self-assembled macrocycles prepared from 2-formyl-aryl-boronic acids and 1,2-amino alcohols","New Journal of Chemistry","2009","33","1","181","","10.1039/b815138e","","","0.71073","MoKα","","0.0681","0.0514","","","0.1221","0.1329","","","","","","1.031","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054146","12.827","0.0002","9.1145","0.0002","13.5149","0.0003","90","","90.4398","0.001","90","","1580","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 B2 Cl6 N2 O3 -","- C26 H32 B2 Cl6 N2 O3 -","- C52 H64 B4 Cl12 N4 O6 -","2","1","","Galbraith, Ewan; Kelly, Andrew M.; Fossey, John S.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Bull, Steven D.; James, Tony D.","Dynamic covalent self-assembled macrocycles prepared from 2-formyl-aryl-boronic acids and 1,2-amino alcohols","New Journal of Chemistry","2009","33","1","181","","10.1039/b815138e","","","0.71073","MoKα","","0.0475","0.0437","","","0.1027","0.1059","","","","","","1.038","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054150","7.3996","0.0013","20.65","0.004","10.5543","0.0019","90","","93.558","0.003","90","","1609.6","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H46 Au2 Cl6 N6 O2 -","- C18 H46 Au2 Cl6 N6 O2 -","- C36 H92 Au4 Cl12 N12 O4 -","2","1","","Al-Jaroudi, Said S.; Monim-ul-Mehboob, M.; Altaf, Muhammad; Fettouhi, Mohammed; Wazeer, Mohammed I. M.; Altuwaijri, Saleh; Isab, Anvarhusein A.","Synthesis, spectroscopic characterization, X-ray structure and electrochemistry of new bis(1,2-diaminocyclohexane)gold(iii) chloride compounds and their anticancer activities against PC3 and SGC7901 cancer cell lines","New Journal of Chemistry","2014","38","7","3199","","10.1039/c3nj01624b","","","0.71073","MoKα","","0.0336","0.0294","","","0.0704","0.0718","","","","","","1.011","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7054151","10.1962","0.0011","5.984","0.0004","15.6595","0.0016","90","","96.232","0.01","90","","949.8","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-methyl-2-[({[(4-methylphenyl)sulfonyl]amino}acetyl)amino]pentanoic acid hydrate","4-methyl-2-[({[(4-methylphenyl)sulfonyl]amino}acetyl)amino]pentanoic acid hydrate","","- C15 H24 N2 O6 S -","- C15 H24 N2 O6 S -","- C30 H48 N4 O12 S2 -","2","1","","Blatova, Olga A.; Asiri, Abdullah M.; Al-amshany, Zahra M.; Arshad, Muhammad Nadeem; Blatov, Vladislav A.","Molecular packings and specific-bonding patterns in sulfonamides","New Journal of Chemistry","2014","38","9","4099","","10.1039/C4NJ00392F","","","1.54184","CuKα","","0.0661","0.0435","","","0.0977","0.1177","","","","","","1.105","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054294","17.3212","0.0008","8.3276","0.0004","17.9892","0.0009","90","","111.922","0.001","90","","2407.2","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28 Ag2 Cl2 N18 O10 S6 -","- C36 H28 Ag2 Cl2 N18 O10 S6 -","- C72 H56 Ag4 Cl4 N36 O20 S12 -","2","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0906","0.0652","","","0.1515","0.1753","","","","","","1.046","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054305","9.2506","0.0005","9.0398","0.0006","11.4008","0.0009","90","","111.656","0.005","90","","886.08","0.11","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Cl O S2 -","- C20 H17 Cl O S2 -","- C40 H34 Cl2 O2 S4 -","2","1","","Nell, Peter G.","Generation of a highly enantioenriched α-phenylthio-substituted Grignard-reagent","New Journal of Chemistry","1999","23","10","973","","10.1039/a906179g","","","1.54178","CuKα","","0.0489","0.0486","","","0.1332","0.1336","","","","","","1.061","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054468","3.9792","0.0001","10.3039","0.0003","21.3511","0.0009","90","","95.342","0.004","90","","871.62","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Mo N3 O6 -","- C17 H15 Mo N3 O6 -","- C34 H30 Mo2 N6 O12 -","2","1","","Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka","Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity","New J. Chem.","2014","38","12","6176","","10.1039/C4NJ01394H","","","0.71073","MoKα","","0.0352","0.0336","","","0.075","0.0758","","","","","","0.993","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054472","7.3136","0.0013","4.5404","0.0008","12.823","0.002","90","","103.9","0.004","90","","413.34","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C18 H16 N8 -","2","1","","Goswami, Shyamaprosad; Chakraborty, Shampa; Adak, Monoj Kumar; Halder, Sandipan; Quah, Ching Kheng; Fun, Hoong-Kun; Pakhira, Bholanath; Sarkar, Sabyasachi","A highly selective ratiometric chemosensor for Ni2+in a quinoxaline matrix","New J. Chem.","2014","38","12","6230","","10.1039/C4NJ01498G","","","0.71073","MoKα","","0.0374","0.0331","","","0.0826","0.0849","","","","","","1.101","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054476","8.0286","0.0012","8.0668","0.0011","9.6666","0.0015","90","","90.004","0.012","90","","626.06","0.16","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate","bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate","","- C4 H10 N12 O7 -","- C4 H10 N12 O7 -","- C8 H20 N24 O14 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0418","0.0319","","","0.057","0.0616","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054582","12.64786","0.00019","14.04823","0.00019","13.3958","0.0002","90","","101.233","0.0015","90","","2334.57","0.06","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O12 S4 -","- C44 H52 N4 O12 S4 -","- C88 H104 N8 O24 S8 -","2","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0547","0.0534","","0.1274","0.1223","0.1274","","","","","","0.9794","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054621","9.4237","0.0006","11.6936","0.0007","9.8675","0.0007","90","","95.103","0.002","90","","1083.06","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H33 N3 O7 -","- C19 H33 N3 O7 -","- C38 H66 N6 O14 -","2","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.0404","0.0319","","","0.0681","0.0718","","","","","","1.047","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054622","9.4408","0.0003","11.5247","0.0003","15.054","0.0004","90","","91.567","0.0015","90","","1637.3","0.08","301.4","","301.4","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H47 N5 O9 -","- C29 H47 N5 O9 -","- C58 H94 N10 O18 -","2","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","1.54178","CuKα","","0.0726","0.0475","","","0.1181","0.1331","","","","","","1.028","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054659","9.7435","0.0008","6.5523","0.0004","11.959","0.0012","90","","105.802","0.01","90","","734.64","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Rodríguez, Isabel; Calaza, M. Isabel; Jiménez, Ana I.; Cativiela, Carlos","Synthesis of enantiomerically pure δ-benzylproline derivatives","New J. Chem.","2015","39","5","3310","","10.1039/C4NJ01894J","","","0.71073","MoKα","","0.0848","0.059","","","0.1278","0.1465","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054688","10.6075","0.0003","10.735","0.0003","19.1418","0.0006","90","","105.348","0.002","90","","2101.97","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Leu-R-Gamma-Leu]2-OMe","t-Butyloxycarbonyl-[Leucyl-R-gamma-Leucyl]2-methyl ester","","- C34 H64 N4 O9 -","- C34 H64 N4 O9 -","- C68 H128 N8 O18 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.0893","0.06","","","0.1604","0.1812","","","","","","1.095","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054689","9.5742","0.0002","10.8563","0.0003","28.0245","0.0007","90","","93.811","0.002","90","","2906.44","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Leu-Val-DPro-Gly-Leu-Val-Val-OMe","t-Butyloxycarbonyl-Leucyl-Leucyl-Valyl-D-Prolyl-Glycyl-Leucyl-Valyl-Valyl-methyl ester","","- C49 H88 N8 O12 -","- C49 H88 N8 O12 -","- C98 H176 N16 O24 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0612","0.0577","","","0.17","0.1762","","","","","","1.128","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054691","5.0056","0.0014","15.829","0.004","20.317","0.005","90","","93.452","0.018","90","","1606.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]3-NHMe","t-Butyloxycarbonyl-[R-gamma-valyl]3-N-methyl amide","","- C27 H52 N4 O5 -","- C27 H52 N4 O5 -","- C54 H104 N8 O10 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.3121","0.1433","","","0.3135","0.3742","","","","","","1.087","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054692","5.1643","0.0002","30.0027","0.0011","7.5724","0.0003","90","","94.261","0.002","90","","1170.05","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]2-OMe","t-Butyloxycarbonyl-[gamma-R-Valyl]2-methyl ester","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C40 H76 N4 O10 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0765","0.0622","","","0.1756","0.2106","","","","","","1.074","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054693","5.1182","0.0003","50.153","0.003","7.4046","0.0004","90","","97.675","0.004","90","","1883.68","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]4-OMe","t-Butyloxycarbonyl-[R-gamma-Valyl]4-methyl ester","","- C34 H64 N4 O7 -","- C34 H64 N4 O7 -","- C68 H128 N8 O14 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.1048","0.0956","","","0.2571","0.274","","","","","","1.195","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054718","3.9158","0.0011","7.1104","0.001","7.871","0.003","90","","100.59","0.03","90","","215.42","0.11","262","2","262","2","","","","","","","","3","P 1 21 1","P 2yb","4","0D-262","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.1392","0.0633","","","0.1602","0.1981","","","","","","1.099","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054719","3.8248","0.0008","7.0987","0.0007","7.7801","0.0009","90","","101.058","0.015","90","","207.32","0.05","118","2","118","2","","","","","","","","3","P 1 21 1","P 2yb","4","","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0449","0.04","","","0.0929","0.0973","","","","","","1.09","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054720","3.8518","0.0005","7.0956","0.0005","7.7924","0.0009","90","","100.862","0.012","90","","209.16","0.04","154","2","154","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-154","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0526","0.0426","","","0.0944","0.1019","","","","","","1.086","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054721","3.8856","0.0013","7.1138","0.0012","7.8353","0.0016","90","","100.93","0.03","90","","212.65","0.09","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-190","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0558","0.0436","","","0.1003","0.1079","","","","","","1.04","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054722","3.8912","0.001","7.1141","0.0012","7.8453","0.0016","90","","100.8","0.02","90","","213.33","0.08","226","2","226","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-226","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0615","0.0464","","","0.1004","0.1123","","","","","","1.044","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054723","3.9127","0.0007","7.1074","0.0008","7.8489","0.0011","90","","100.422","0.016","90","","214.67","0.06","262","2","262","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-262","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0679","0.046","","","0.1033","0.1229","","","","","","1.075","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054724","3.9417","0.0012","7.1096","0.0018","7.878","0.003","90","","100.25","0.03","90","","217.25","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-298","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0992","0.0513","","","0.0987","0.1218","","","","","","1.012","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054753","10.1897","0.0005","10.3703","0.0005","10.5504","0.0005","90","","107.526","0.003","90","","1063.11","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 O16 P4 Y2 -","- Cs6 O16 P4 Y2 -","- Cs12 O32 P8 Y4 -","2","1","","Wang, Ying; Lian, Zhipeng; Su, Xin; Yang, Zhihua; Pan, Shilie; Yan, Qingfeng; Zhang, Fangfang","Cs6RE2(PO4)4(RE = Y and Gd): two new members of the alkali rare-earth double phosphates","New J. Chem.","2015","39","6","4328","","10.1039/C5NJ00109A","","","0.71073","MoKα","","0.0327","0.0277","","","0.045","0.0468","","","","","","0.966","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054754","10.2819","0.0004","10.4257","0.0004","10.5785","0.0004","90","","107.649","0.002","90","","1080.6","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 Gd2 O16 P4 -","- Cs6 Gd2 O16 P4 -","- Cs12 Gd4 O32 P8 -","2","1","","Wang, Ying; Lian, Zhipeng; Su, Xin; Yang, Zhihua; Pan, Shilie; Yan, Qingfeng; Zhang, Fangfang","Cs6RE2(PO4)4(RE = Y and Gd): two new members of the alkali rare-earth double phosphates","New J. Chem.","2015","39","6","4328","","10.1039/C5NJ00109A","","","0.71073","MoKα","","0.0264","0.0245","","","0.0531","0.0542","","","","","","1.067","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054768","10.7139","0.0018","11.257","0.0015","13.736","0.002","90","","108.196","0.005","90","","1573.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","M-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)","","- C31 H23 F12 O4 P Pd -","- C31 H23 F12 O4 P Pd -","- C62 H46 F24 O8 P2 Pd2 -","2","1","","Lennartson, Anders; Håkansson, Mikael","A missing link between chiral four- and five-coordinate complexes","New J. Chem.","2015","39","5","3353","","10.1039/C5NJ00265F","","x-ray","0.71073","MoKα","","0.0195","0.0186","","","0.0464","0.0469","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054808","11.0828","0.0016","8.3612","0.0012","25.823","0.004","90","","92.896","0.003","90","","2389.8","0.6","100","2","99.85","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O12 S2 -","- C18 H36 N2 O12 S2 -","- C72 H144 N8 O48 S8 -","4","2","","Adokoh, Christian K.; Obuah, Collins; Kinfe, Henok H.; Zinyemba, Orpah; Darkwa, James","Novel bio-friendly and non-toxic thiocarbohydrate stabilizers of gold nanoparticles","New J. Chem.","2015","39","7","5249","","10.1039/C5NJ00293A","","","0.71073","MoKα","","0.0838","0.0498","","","0.1113","0.1343","","","","","","1.013","","","","has coordinates","143730","2020-10-21","18:00:00",""
"7054867","11.126","0.009","8.548","0.007","13.382","0.01","90","","96.17","0.014","90","","1265.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N2 O3 -","- C12 H12 Cl N2 O3 -","- C48 H48 Cl4 N8 O12 -","4","2","","Xia, Ai-Bao; Zhang, Xiao-Long; Wang, Tao; Du, Xiao-Hua; Xu, Dan-Qian; Xu, Zhen-Yuan","Enantioselective synthesis of functionalized 3,4-disubstituted dihydro-2(1H)-quinolinones via Michael‒hemiaminalization/oxidation reaction","New J. Chem.","2015","39","7","5088","","10.1039/C4NJ01718H","","","0.71073","MoKα","","0.0437","0.0368","","","0.1001","0.1049","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054888","6.1617","0.0008","10.5098","0.0013","17.3476","0.0017","90","","98.607","0.01","90","","1110.7","0.2","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N2 P -","- C26 H29 N2 P -","- C52 H58 N4 P2 -","2","1","","Ma, Wangyang; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich rare-earth metal tris(alkyl) ate complexes catalyzed phosphaguanylation reaction of phosphines with carbodiimides: an efficient synthesis of phosphaguanidines","New J. Chem.","2015","39","10","7649","","10.1039/C5NJ01136A","","","0.71073","MoKα","","0.0618","0.0508","","","0.1192","0.129","","","","","","1.039","","","","has coordinates","162057","2020-10-21","18:00:00",""
"7054897","9.6658","0.0012","13.5399","0.0017","11.4516","0.0013","90","","98.777","0.012","90","","1481.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 Ni O10 -","- C28 H36 N4 Ni O10 -","- C56 H72 N8 Ni2 O20 -","2","1","","Wojciechowska, Agnieszka; Janczak, Jan; Staszak, Zbigniew; Duczmal, Marek; Zierkiewicz, Wiktor; Tokar, Jadwiga; Ozarowski, Andrew","Structural, spectroscopic, magnetic behavior and DFT investigations ofl-tyrosinato nickel(ii) coordination polymer","New J. Chem.","2015","39","9","6813","","10.1039/C5NJ00972C","","","0.71073","MoKα","","0.2051","0.0854","","","0.073","0.0944","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054909","12.111","0.0004","7.1701","0.0003","13.5948","0.0005","90","","98.151","0.003","90","","1168.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Ni O4 S4 -","- C22 H22 Ni O4 S4 -","- C44 H44 Ni2 O8 S8 -","2","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.045","0.0343","","","0.0729","0.0781","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055019","8.6469","0.0007","34.562","0.003","11.4333","0.001","90","","109.165","0.005","90","","3227.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H34 Cl Cu N3 O4 -","- C37 H34 Cl Cu N3 O4 -","- C148 H136 Cl4 Cu4 N12 O16 -","4","2","","Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur","Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen","New J. Chem.","2015","39","10","7895","","10.1039/C5NJ01059D","","","0.71073","MoKα","","0.1407","0.0994","","","0.2307","0.2528","","","","","","1.104","","","","has coordinates","162108","2020-10-21","18:00:00",""
"7055103","9.1527","0.0008","10.0852","0.0007","10.4387","0.0009","90","","110.242","0.01","90","","904.05","0.14","100.01","0.1","100","0.02","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C44 H42 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.5418","CuKα","","0.0513","0.0399","","","0.0919","0.0994","","","","","","1.012","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055121","10.439","0.003","5.0804","0.0019","11.712","0.004","90","","99.816","0.014","90","","612","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C30 H24 O8 -","2","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.1322","0.0693","","","0.1622","0.1963","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055132","7.9363","0.0012","34.734","0.005","17.444","0.003","90","","94.006","0.002","90","","4796.9","1.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H13 Cl Fe2 O8 S2 -","- C21 H13 Cl Fe2 O8 S2 -","- C168 H104 Cl8 Fe16 O64 S16 -","8","4","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0427","0.036","","","0.0882","0.0911","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055228","13.0082","0.0008","18.1719","0.0011","15.3774","0.001","90","","112.47","0.001","90","","3359","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 K O8 -","- C34 H50 K O8 -","- C136 H200 K4 O32 -","4","2","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0754","0.0444","","","0.0767","0.0878","","","","","","1.004","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055362","13.2913","0.0016","16.431","0.002","13.4762","0.0016","90","","107.238","0.002","90","","2810.9","0.6","90","0.5","90","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H20.95 B Cl0.05 F2 N4 -","- C37 H20.952 B Cl0.048 F2 N4 -","- C148 H83.808 B4 Cl0.192 F8 N16 -","4","2","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0489","0.0401","","","0.095","0.0999","","","","","","1.035","","","","has coordinates,has disorder","187158","2020-10-21","18:00:00",""
"7055416","11.9748","0.0003","10.242","0.0003","16.6859","0.0004","90","","97.307","0.003","90","","2029.84","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H53 Au2 Cl7 N6 -","- C29 H53 Au2 Cl7 N6 -","- C58 H106 Au4 Cl14 N12 -","2","1","","Bogojeski, Jovana; Volbeda, Jeroen; Bugarcic, Zivadin D.; Freytag, Matthias; Tamm, Matthias","Platinum(II) complexes with hybrid amine-imidazolin-2-imine ligands and their reactivity toward bio-molecules","New J. Chem.","2016","","","","","10.1039/C5NJ03360H","","","0.71073","MoKα","","0.0542","0.0365","","","0.0722","0.0789","","","","","","1.055","","","","has coordinates","178315","2020-10-21","18:00:00",""
"7055517","10.828","0.002","5.5849","0.0011","12.363","0.003","90","","107.59","0.03","90","","712.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-bis(methyl(nitro)amino)methyl)-3-nitro-1,2,4-triazol-5-one","","- C6 H11 N9 O10 -","- C6 H11 N9 O10 -","- C12 H22 N18 O20 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0529","0.0349","","","0.0577","0.0611","","","","","","0.865","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055518","6.761","0.0006","5.5064","0.0006","11.3925","0.001","90","","97.072","0.009","90","","420.9","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(3-nitro-1H-1,2,4-triazol-5-on-4-yl)-2-nitrazapropane","","- C4 H6 N6 O5 -","- C4 H6 N6 O5 -","- C8 H12 N12 O10 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0567","0.0344","","","0.0488","0.0527","","","","","","0.84","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055533","7.2068","0.0002","8.9671","0.0003","16.5006","0.0006","90","","93.343","0.001","90","","1064.52","0.06","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H27 N O4 S Si -","- C22 H27 N O4 S Si -","- C44 H54 N2 O8 S2 Si2 -","2","1","","Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces","New J. Chem.","2016","40","7","6200","","10.1039/C6NJ00011H","","","0.71073","MoKα","","0.0313","0.0287","","","0.0713","0.0726","","","","","","1.037","","","","has coordinates","185588","2020-10-21","18:00:00",""
"7055572","10.0882","0.0008","12.863","0.001","11.871","0.001","90","","102.335","0.006","90","","1504.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O2 Se2 -","- C32 H42 O2 Se2 -","- C64 H84 O4 Se4 -","2","1","","Ścianowski, Jacek; Pacuła, Agata J.; Zielińska-Błajet, Mariola; Wojtczak, Andrzej","New diphenyl diselenides o-substituted by an O(S,Se)-caranyl skeleton ‒ synthesis and application in asymmetric reactions","New J. Chem.","2016","40","8","6697","","10.1039/C6NJ00487C","","","0.71073","MoKα","","0.095","0.0587","","","0.1367","0.1535","","","","","","0.879","","","","has coordinates","185603","2020-10-21","18:00:00",""
"7055599","7.414","0.002","12.582","0.001","13.338","0.002","90","","91","0.02","90","","1244","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H4 F5 N O2 -","- C14 H4 F5 N O2 -","- C56 H16 F20 N4 O8 -","4","2","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1418","0.0734","","","0.1706","0.2047","","","","","","1.033","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055600","6.634","0.002","4.733","0.002","18.468","0.006","90","","92.01","0.03","90","","579.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H5 F5 O2 -","- C13 H5 F5 O2 -","- C26 H10 F10 O4 -","2","1","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1208","0.0591","","","0.1111","0.1239","","","","","","1.084","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055619","11.392","0.003","15.729","0.004","11.421","0.003","90","","115.83","0.003","90","","1842","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H30 La N7 Ni O16 -","- C29 H30 La N7 Ni O16 -","- C58 H60 La2 N14 Ni2 O32 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","","0.71073","MoKα","","0.0638","0.0604","","","0.18","0.187","","","","","","1.135","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055656","8.3169","0.0004","10.5724","0.0004","29.2702","0.0011","90","","96.188","0.002","90","","2558.72","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Au O4 S8 -","- C18 H24 Au O4 S8 -","- C72 H96 Au4 O16 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0526","0.0373","","","0.0805","0.0883","","","","","","0.797","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055658","13.6322","0.0006","13.9463","0.0004","20.562","0.0008","90","","101.23","0.002","90","","3834.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C30 H56 Au N S8 -","- C30 H56 Au N S8 -","- C120 H224 Au4 N4 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0473","0.0383","","","0.0815","0.0867","","","","","","0.743","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055659","11.0845","0.0003","29.8343","0.0007","17.4548","0.0004","90","","104.412","0.001","90","","5590.6","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C39 H69 Au Cl6 N O4 S8 -","- C39 H69 Au Cl6 N O4 S8 -","- C156 H276 Au4 Cl24 N4 O16 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0974","0.0774","","","0.1722","0.1803","","","","","","1.11","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055705","12.1294","0.0003","14.6056","0.0003","22.7585","0.0005","90","","102.536","0.001","90","","3935.71","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H75 Ba I2 O5 P5 -","- C90 H75 Ba I2 O5 P5 -","- C180 H150 Ba2 I4 O10 P10 -","2","1","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0248","0.0229","","","0.0444","0.0451","","","","","","0.991","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055840","11.6485","0.0009","13.9161","0.001","11.8748","0.0008","90","","113.074","0.002","90","","1770.9","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Te -","- C6 H15 Mo6 N3 Na2 O34.5 Te -","- C12 H30 Mo12 N6 Na4 O69 Te2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0203","0.0198","","","0.0526","0.0532","","","","","","1.026","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055841","11.6541","0.0002","13.9037","0.0003","11.8748","0.0003","90","","113.161","0.001","90","","1769.06","0.07","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Te -","- C6 H15 Mo6 N3 Na2 O34.5 Te -","- C12 H30 Mo12 N6 Na4 O69 Te2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0246","0.024","","","0.0635","0.0642","","","","","","1.028","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055842","11.6276","0.0005","13.9826","0.0007","11.8503","0.0007","90","","113.215","0.002","90","","1770.67","0.16","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Se -","- C6 H15 Mo6 N3 Na2 O34.5 Se -","- C12 H30 Mo12 N6 Na4 O69 Se2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0279","0.0275","","","0.0718","0.0722","","","","","","1.076","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055854","8.7731","0.0005","13.7449","0.0007","16.6071","0.0009","90","","93.648","0.002","90","","1998.52","0.19","100","2","100","2","","","","","","","Synthetic","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Cu N2 O13 S -","- C14 H19 Cu N2 O13 S -","- C56 H76 Cu4 N8 O52 S4 -","4","2","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","x-ray","0.71073","MoKα","","0.0283","0.0255","","","0.0654","0.0664","","","","","","1.065","","","","has coordinates","190249","2020-10-21","18:00:00",""
"7055916","9.6949","0.0008","16.3365","0.0019","12.523","0.0001","90","","96.097","0.008","90","","1972.2","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","2","","Samanta, Soham; Manna, Utsab; Das, Gopal","White-light emission from simple AIE‒ESIPT-excimer tripled single molecular system","New J. Chem.","2017","41","3","1064","","10.1039/C6NJ03070J","","","0.71073","MoKα","","0.174","0.1277","","","0.3054","0.3615","","","","","","1.189","","","","has coordinates","191709","2020-10-21","18:00:00",""
"7056056","7.50613","0.00016","14.4909","0.0004","12.0626","0.0003","90","","96.839","0.002","90","","1302.72","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O12 S -","- C24 H27 N O12 S -","- C48 H54 N2 O24 S2 -","2","1","","Luque-Agudo, V.; Albarrán-Velo, J.; Fernández-Bolaños, J. G.; López, O.; Light, M. E.; Padrón, J. M.; Lagunes, I.; Román, E.; Serrano, J. A.; Gil, M. V.","Synthesis and antiproliferative activity of sulfa-Michael adducts and thiochromenes derived from carbohydrates","New J. Chem.","2017","41","8","3154","","10.1039/C6NJ03940E","","x-ray","1.54184","CuKα","","0.0392","0.0373","","","0.0956","0.0971","","","","","","1.097","","","","has coordinates","196481","2020-10-21","18:00:00",""
"7056057","7.47001","0.00014","17.3307","0.0003","10.39519","0.00018","90","","102.89","0.0018","90","","1311.85","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 N O14 S -","- C21 H31 N O14 S -","- C42 H62 N2 O28 S2 -","2","1","","Luque-Agudo, V.; Albarrán-Velo, J.; Fernández-Bolaños, J. G.; López, O.; Light, M. E.; Padrón, J. M.; Lagunes, I.; Román, E.; Serrano, J. A.; Gil, M. V.","Synthesis and antiproliferative activity of sulfa-Michael adducts and thiochromenes derived from carbohydrates","New J. Chem.","2017","41","8","3154","","10.1039/C6NJ03940E","","x-ray","0.71073","MoKα","","0.0316","0.0292","","","0.0734","0.0747","","","","","","1.031","","","","has coordinates","196481","2020-10-21","18:00:00",""
"7056086","15.66","0.0012","16.0434","0.0013","20.4427","0.0018","90","","110.511","0.004","90","","4810.4","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(C5O5)(pmap)2](ClO4)2.2H2O","","","- C45 H48 Cl2 Cu2 N8 O15 -","- C45 H48 Cl2 Cu2 N8 O15 -","- C180 H192 Cl8 Cu8 N32 O60 -","4","2","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","","","","","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1052","0.0704","","","0.1575","0.1762","","","","","","1.076","","","","has coordinates,has disorder","194917","2020-10-21","18:00:00",""
"7056098","7.7936","0.0001","26.5402","0.0002","7.988","0.0001","90","","90.009","0.001","90","","1652.27","0.03","293","2","293","2","","","","","","","Fungus","4","P 1 21 1","P 2yb","4","YX","Talaramide A","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","2","","Chen, Senhua; He, Liqing; Dongni, Chen; Cai, Ruilin; long, yuhua; Lu, Yongjun; She, Zhi-Gang","Talaramide A, an Unusual Alkaloid from the Mangrove Endophytic Fungus Talaromyces sp. (HZ-YX1) as Inhibitor of Mycobacterial PknG","New J. Chem.","2017","","","","","10.1039/C7NJ00059F","","","1.54178","CuKα","","0.047","0.046","","","0.1252","0.1258","","","","","","1.175","","","","has coordinates","195410","2020-10-21","18:00:00",""
"7056102","8.3515","0.0003","11.4299","0.0007","11.9398","0.0006","90","","98.663","0.004","90","","1126.73","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N17 O18 -","- C10 H9 N17 O18 -","- C20 H18 N34 O36 -","2","1","","Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude","A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions","New J. Chem.","2017","","","","","10.1039/C6NJ03976F","","","0.71073","MoKα","","0.0719","0.0487","","","0.0855","0.0996","","","","","","1.044","","","","has coordinates","195533","2020-10-21","18:00:00",""
"7056130","12.8728","0.0015","9.7876","0.0011","15.2958","0.0019","90","","112.529","0.004","90","","1780.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H35 Cl3 O4 -","- C43 H35 Cl3 O4 -","- C86 H70 Cl6 O8 -","2","1","","Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha","Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)","New J. Chem.","2017","","","","","10.1039/C7NJ00324B","","","0.71073","MoKα","","0.1687","0.0962","","","0.2254","0.2441","","","","","","1.303","","","","has coordinates","195907","2020-10-21","18:00:00",""
"7056131","15.7016","0.0007","9.8725","0.0005","25.8617","0.0012","90","","99.232","0.001","90","","3957","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C87 H68 Cl12 O8 -","- C87 H68 Cl12 O8 -","- C174 H136 Cl24 O16 -","2","1","","Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha","Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)","New J. Chem.","2017","","","","","10.1039/C7NJ00324B","","","0.71073","MoKα","","0.1725","0.0921","","","0.2","0.2233","","","","","","1.125","","","","has coordinates,has disorder","195907","2020-10-21","18:00:00",""
"7056166","11.5077","0.001","12.262","0.0007","15.7286","0.0011","90","","109.805","0.009","90","","2088.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,6,6,13-pentamethyl-3-methylene-2,2a,2a1,3,4,5,5a,6-octahydroindolo[3,2,1-de]pyrano[5,4,3,2-lmn]-phenanthridine","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","2","","Yedukondalu, Nalli; Thakur, Vandana; Mohmmed, Asif; Gupta, Vivek; Ali, Asif","POCl3-mediated Cyclization of (+)-S-Mahanimbine Led to the Divergent Synthesis of Natural Product Derivatives with Antiplasmodial Activity.","New J. Chem.","2017","","","","","10.1039/C7NJ00487G","","","0.71073","MoKα","","0.082","0.0463","","","0.0787","0.0911","","","","","","1.031","","","","has coordinates","196621","2020-10-21","18:00:00",""
"7056204","7.1401","0.0011","7.804","0.0013","10.6428","0.0019","90","","109.113","0.003","90","","560.34","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H5 N7 O10 -","- C4 H5 N7 O10 -","- C8 H10 N14 O20 -","2","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","","","","","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.0694","0.0444","","","0.0763","0.087","","","","","","1.022","","","","has coordinates","196785","2020-10-21","18:00:00",""
"7056235","9.243","0.008","12.671","0.009","9.346","0.008","90","","117.356","0.01","90","","972.2","1.4","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","P, Dhanya B; Gopalan, Greeshma; T. R., Reshmitha; Saranya, Jayaram; P, Sharathna; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Synthesis and in vitro evaluation of zerumbone pendant derivatives: Potent candidates for anti-diabetic and anti-proliferative activities","New J. Chem.","2017","","","","","10.1039/C7NJ01098B","","","0.71073","MoKα","","0.1215","0.055","","","0.0887","0.1072","","","","","","0.814","","","","has coordinates","196994","2020-10-21","18:00:00",""
"7056240","13.5975","0.0011","16.1208","0.0013","17.9767","0.0015","90","","103.432","0.001","90","","3832.8","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C116 H148 B4 Cu2 Fe4 Gd2 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0618","0.0457","","","0.1038","0.1097","","","","","","0.951","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056241","13.4352","0.0009","16.0651","0.0011","17.6194","0.0012","90","","103.548","0.001","90","","3697.1","0.4","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C116 H148 B4 Cu2 Fe4 Gd2 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0537","0.0421","","","0.0773","0.0813","","","","","","0.982","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056242","13.559","0.007","16.024","0.009","17.767","0.01","90","","103.229","0.009","90","","3758","4","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C116 H148 B4 Cu2 Fe4 N42 O20 Tb2 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0641","0.0418","","","0.0763","0.0827","","","","","","0.922","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056243","13.4347","0.0011","16.067","0.0013","17.6509","0.0014","90","","103.589","0.001","90","","3703.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C116 H148 B4 Cu2 Dy2 Fe4 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0379","0.0328","","","0.063","0.0647","","","","","","0.941","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056244","13.5669","0.0013","16.1004","0.0016","17.8246","0.0018","90","","103.271","0.001","90","","3789.5","0.6","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C116 H148 B4 Cu2 Fe4 N42 O20 Tb2 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0702","0.0484","","","0.11","0.1179","","","","","","0.945","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056245","13.585","0.003","16.218","0.003","18.401","0.004","90","","103.848","0.004","90","","3936.3","1.4","296","2","296","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cl0 Cu Dy Fe2 N21 O10 -","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C116 H148 B4 Cu2 Dy2 Fe4 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0676","0.045","","","0.0807","0.088","","","","","","0.909","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056289","9.97961","0.00016","25.3617","0.0006","10.5814","0.0002","90","","94.6162","0.0016","90","","2669.46","0.09","150","","150","","","","","","","","no","7","P 1 21 1","P 2yb","4","no","Salt of tin(IV) dichloride phthalocyanine with cryptand[2,2,1](Na+) cations, dichlorobenzene solvate","","- C54 H52 Cl4 N10 Na O5 Sn -","- C54 H52 Cl4 N10 Na O5 Sn -","- C108 H104 Cl8 N20 Na2 O10 Sn2 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.0929","0.0806","","","0.2292","0.2445","","","","","","1.072","","","","has coordinates,has disorder","197593","2020-10-21","18:00:00",""
"7056290","10.2257","0.0004","25.3147","0.0011","10.6978","0.0004","90","","96.022","0.003","90","","2753.96","0.19","150","","150","","","","","","","","no","7","P 1 21 1","P 2yb","4","no","Salt of tin(IV) dichloride phthalocyanine with the crytand[2,2,2](Na+) cations, dichlorobenzene solvate","","- C56 H56 Cl4 N10 Na O6 Sn -","- C56 H56 Cl4 N10 Na O6 Sn -","- C112 H112 Cl8 N20 Na2 O12 Sn2 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.0876","0.0732","","","0.2171","0.2327","","","","","","1.091","","","","has coordinates,has disorder","197593","2020-10-21","18:00:00",""
"7056302","13.9521","0.0008","10.5005","0.0005","14.1217","0.0008","90","","117.346","0.003","90","","1837.69","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 Cl N4 -","- C23 H13 Cl N4 -","- C92 H52 Cl4 N16 -","4","2","","Giardinetti, Maxime; Marrot, Jérome; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Synthesis and Fluorosolvatochromic Properties of 1,7-Annulated Indoles","New J. Chem.","2017","","","","","10.1039/C7NJ00365J","","","0.71073","MoKα","","0.0797","0.053","","","0.1221","0.1402","","","","","","1.113","","","","has coordinates","197761","2020-10-21","18:00:00",""
"7056305","8.325","0.0001","10.8767","0.0001","8.5879","0.0006","90","","110.364","0.008","90","","729.02","0.06","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0276","0.0263","","","0.0616","0.0623","","","","","","1.057","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056307","8.267","0.004","14.974","0.008","12.165","0.006","90","","91.544","0.012","90","","1505.4","1.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H36 Co2 N4 O9 -","- C31 H36 Co2 N4 O9 -","- C62 H72 Co4 N8 O18 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0554","0.045","","","0.0778","0.081","","","","","","1.052","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056386","13.4283","0.001","15.7465","0.0011","16.5327","0.0011","90","","92.893","0.006","90","","3491.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","4","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","","","","","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1143","0.0592","","","0.0966","0.116","","","","","","0.993","","","","has coordinates","198275","2020-10-21","18:00:00",""
"7056409","7.484","0.0004","7.8907","0.0004","10.2465","0.0005","90","","93.122","0.003","90","","604.2","0.05","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 N9 O12 -","- C3 H5 N9 O12 -","- C6 H10 N18 O24 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0379","0.0314","","","0.0867","0.1263","","","","","","1.261","","","","has coordinates","198662","2020-10-21","18:00:00",""
"7056413","8.228","0.0004","7.3357","0.0003","11.3167","0.0005","90","","94.923","0.003","90","","680.54","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H7 N11 O11 -","- C3 H7 N11 O11 -","- C6 H14 N22 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0505","0.0369","","","0.0735","0.0776","","","","","","0.956","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056414","7.8388","0.0015","7.873","0.0015","10.987","0.002","90","","90.413","0.011","90","","678","0.2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N10 O12 -","- C3 H6 N10 O12 -","- C6 H12 N20 O24 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0669","0.0426","","","0.1068","0.121","","","","","","1.006","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056415","7.4594","0.0001","7.8789","0.0002","10.4774","0.0002","90","","90.745","0.001","90","","615.72","0.02","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H2 K N9 O11 -","- C3 H2 K N9 O11 -","- C6 H4 K2 N18 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0298","0.0257","","","0.0543","0.0562","","","","","","1.033","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056416","7.5643","0.0007","8.0022","0.0007","10.6515","0.001","90","","91.239","0.002","90","","644.6","0.1","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N10 O11 -","- C3 H6 N10 O11 -","- C6 H12 N20 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0482","0.0355","","","0.0739","0.0796","","","","","","1.023","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056587","11.494","0.007","21.318","0.003","14.593","0.005","90","","111.24","0.04","90","","3333","3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H84 Cl N17 Ni4 O15 -","- C52 H80 Cl N17 Ni4 O14 -","- C104 H160 Cl2 N34 Ni8 O28 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik; Das, Mithun; Bauza, Antonio; Herrero, Santiago; González-Prieto, Rodrigo; Frontera, Antonio","Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(II) Schiff base complex","New J. Chem.","2017","","","","","10.1039/C7NJ00852J","","","0.71073","MoKα","","0.057","0.045","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","200437","2020-10-21","18:00:00",""
"7056614","14.4123","0.0005","5.7309","0.0002","16.0699","0.0005","90","","113.838","0.001","90","","1214.07","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl N S -","- C14 H10 Cl N S -","- C56 H40 Cl4 N4 S4 -","4","2","","Ge, Xin; Sun, Fengli; Liu, Xuemin; Chen, Xinzhi; Qian, Chao; Zhou, Shaodong","Combined Experimental/theoretical Study on D-Glucosamine Promoted Regioselective Sulfenylation of Indoles Catalyzed by Copper","New J. Chem.","2017","","","","","10.1039/C7NJ02784B","","","0.71073","MoKα","","0.0244","0.0231","","","0.0733","0.0745","","","","","","1.002","","","","has coordinates","201335","2020-10-21","18:00:00",""
"7056664","5.7367","0.0006","7.4012","0.0008","21.041","0.002","90","","91.012","0.002","90","","893.23","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H34 I N -","- C15 H34 I N -","- C30 H68 I2 N2 -","2","1","","Roitershtein, Dmitrii M.; Puntus, Lada N.; Lyssenko, Konstantin A.; Taidakov, Ilya V.; Varaksina, Evgenia; Minyaev, Mikhail M.; Gerasin, Viktor Anatol'evich; Guseva, Maria A.; Vinogradov, Alexey V.; Savchenko, Maria S.; Nifant'ev, Ilya E.","An efficient route for design of luminescent composite materials based on polyethylene containing europium dibenzoylmethanate","New J. Chem.","2017","","","","","10.1039/C7NJ03055J","","","0.71073","MoKα","","0.0344","0.0276","","","0.0587","0.0622","","","","","","1.04","","","","has coordinates,has disorder","201685","2020-10-21","18:00:00",""
"7056686","9.8926","0.0002","17.9661","0.0003","15.057","0.0002","90","","91.906","0.002","90","","2674.62","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 B Cu F4 N8 O4 -","- C20 H32 B Cu F4 N8 O4 -","- C80 H128 B4 Cu4 F16 N32 O16 -","4","2","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","","","","","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0274","0.0251","","","0.0604","0.0618","","","","","","1.028","","","","has coordinates","202048","2020-10-21","18:00:00",""
"7056783","10.0776","0.0004","6.3731","0.0003","13.224","0.0006","90","","90.418","0.001","90","","849.3","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O6 S -","- C15 H18 N2 O6 S -","- C30 H36 N4 O12 S2 -","2","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0239","0.0237","","","0.0646","0.0648","","","","","","1.01","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056801","9.2377","0.0003","33.9062","0.0009","9.4263","0.0003","90","","97.036","0.003","90","","2930.23","0.16","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H74 N2 O12 Sn4 -","- C50 H74 N2 O12 Sn4 -","- C100 H148 N4 O24 Sn8 -","2","1","","Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin","Fluorescent biogenic Schiff base compounds of dimethyltin","New Journal of Chemistry","2018","42","3","1655","","10.1039/C7NJ03731G","","","0.71073","MoKα","","0.0325","0.0265","","","0.0579","0.0624","","","","","","1.241","","","","has coordinates","230568","2020-10-21","18:00:00",""
"7056807","13.3238","0.0005","7.2153","0.0003","13.5409","0.0006","90","","114.187","0.001","90","","1187.48","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N3 O6 -","- C23 H33 N3 O6 -","- C46 H66 N6 O12 -","2","1","","Kotmale, Amol S.; Sangtani, Ekta; Gonnade, Rajesh G.; Sarkar, Dhiman; Burade, Sachin; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational studies of Ant‒Pro motif-incorporated cyclic peptides: gramicidin S and avellanin","New Journal of Chemistry","2018","42","2","1197","","10.1039/C7NJ03701E","","","0.71073","MoKα","","0.0382","0.0352","","","0.0856","0.0872","","","","","","1.038","","","","has coordinates","230296","2020-10-21","18:00:00",""
"7056833","8.019","0.0013","15.4071","0.0012","12.3484","0.0018","90","","96.644","0.014","90","","1515.4","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Cl Ir N3 O3 -","- C32 H37 Cl Ir N3 O3 -","- C64 H74 Cl2 Ir2 N6 O6 -","2","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0371","0.0321","","","0.0531","0.0559","","","","","","1.016","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056915","7.5332","0.0015","44.989","0.009","9.6294","0.0019","90","","105.58","0.03","90","","3143.6","1.2","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 Fe N -","- C21 H17 Fe N -","- C168 H136 Fe8 N8 -","8","4","","Rosa, Vitor; Gaspari, Ana P. S.; Folgosa, Filipe; Cordas, Cristina M.; Tavares, Pedro; Santos-Silva, Teresa; Barroso, Sónia; Avilés, Teresa","Imine ligands based on ferrocene: synthesis, structural and Mössbauer characterization and evaluation as chromogenic and electrochemical sensors for Hg2+","New Journal of Chemistry","2018","42","5","3334","","10.1039/C7NJ04319H","","","0.71073","MoKα","","0.0735","0.0544","","","0.102","0.1079","","","","","","1.079","","","","has coordinates","230266","2020-10-21","18:00:00",""
"7056972","6.598","","7.511","","19.292","","90","","96.99","","90","","948.959","","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Ba Cl2 O7 -","- C16 H14 Ba Cl2 O7 -","- C32 H28 Ba2 Cl4 O14 -","2","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.0269","0.0262","","","0.0727","0.0734","","","","","","1.106","","","","has coordinates,has disorder","230317","2020-10-21","18:00:00",""
"7057079","13.3965","0.0015","9.2534","0.001","17.1816","0.0019","90","","104.822","0.008","90","","2059","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H48 B F2 N5 O10 -","- C40 H48 B F2 N5 O10 -","- C80 H96 B2 F4 N10 O20 -","2","1","","Nguyen, Alex L.; Griffin, Kaitlin E.; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M. Graça H.","Syntheses of 1,2,3-triazole-BODIPYs bearing up to three carbohydrate units","New Journal of Chemistry","2018","42","10","8241","","10.1039/C8NJ00041G","","","1.54184","CuKα","","0.1409","0.0623","","","0.1054","0.1307","","","","","","0.959","","","","has coordinates","230186","2020-10-21","18:00:00",""
"7057219","11.6569","0.0007","10.9364","0.0007","12.8998","0.0008","90","","108.885","0.001","90","","1556","0.17","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 F4 N4 O4 Zn -","- C34 H26 F4 N4 O4 Zn -","- C68 H52 F8 N8 O8 Zn2 -","2","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0258","0.0256","","","0.066","0.0663","","","","","","1.136","","","","has coordinates","230437","2020-10-21","18:00:00",""
"7057246","8.005","0.0003","16.0433","0.0007","15.2781","0.0006","90","","105.036","0.002","90","","1894.94","0.13","100","0.5","100","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H18 Cl5 N4 O Ru S -","- C11 H18 Cl5 N4 O Ru S -","- C44 H72 Cl20 N16 O4 Ru4 S4 -","4","2","","Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.","Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study","New Journal of Chemistry","2018","42","9","6858","","10.1039/C7NJ03267F","","","0.71073","MoKα","","0.0186","0.0183","","","0.0398","0.04","","","","","","1.082","","","","has coordinates","230434","2020-10-21","18:00:00",""
"7057252","9.2472","0.0004","31.4274","0.0013","17.7065","0.0008","90","","97.359","0.001","90","","5103.4","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C118 H92 Br6 Cl4 N6 Pd2 -","- C118 H92 Br6 Cl4 N6 Pd2 -","- C236 H184 Br12 Cl8 N12 Pd4 -","2","1","","Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui","Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups","New Journal of Chemistry","2018","42","9","7422","","10.1039/C8NJ01047A","","","0.71073","MoKα","","0.0915","0.0653","","","0.158","0.1735","","","","","","1.041","","","","has coordinates","230433","2020-10-21","18:00:00",""
"7057253","9.1629","0.0005","31.1003","0.0017","17.7075","0.0009","90","","97.492","0.001","90","","5003","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47.2 H36.8 Cl4 N2.4 Pd0.8 -","- C47.2 H36.8 Cl4 N2.4 Pd0.8 -","- C236 H184 Cl20 N12 Pd4 -","5","2.5","","Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui","Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups","New Journal of Chemistry","2018","42","9","7422","","10.1039/C8NJ01047A","","","0.71073","MoKα","","0.0962","0.0606","","","0.1301","0.1467","","","","","","1.061","","","","has coordinates","230433","2020-10-21","18:00:00",""
"7057296","12.519","0.002","14.724","0.002","13.436","0.002","90","","117.48","0.004","90","","2197.2","0.6","257","2","257","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H35 Cl Mn2 N6 O10.5 -","- C40 H35 Cl Mn2 N6 O10.5 -","- C80 H70 Cl2 Mn4 N12 O21 -","2","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Ghosh, Ashutosh","The first alternating MnII‒MnIII 1D chain: structure, magnetic properties and catalytic oxidase activities","New Journal of Chemistry","2018","42","12","9517","","10.1039/C8NJ00414E","","","0.71073","MoKα","","0.0716","0.0473","","","0.1107","0.1286","","","","","","1.017","","","","has coordinates","230550","2020-10-21","18:00:00",""
"7057313","14.7346","0.0003","10.1121","0.0002","17.0163","0.0004","90","","101.022","0.001","90","","2488.62","0.09","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H76 Cu2 F12 N6 O Sb2 -","- C34 H76 Cu2 F12 N6 O Sb2 -","- C68 H152 Cu4 F24 N12 O2 Sb4 -","2","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0309","0.0272","","","0.0536","0.0548","","","","","","0.981","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057395","9.4207","0.0011","24.123","0.004","13.7254","0.0015","90","","109.606","0.006","90","","2938.3","0.7","133","2","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H62 N8 O14 Y2 -","- C58 H62 N8 O14 Y2 -","- C116 H124 N16 O28 Y4 -","2","1","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.076","0.0498","","","0.0979","0.1055","","","","","","0.972","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057396","9.4646","0.0011","24.142","0.003","13.7979","0.0018","90","","109.57","0.003","90","","2970.6","0.6","133","2","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H62 Dy2 N8 O14 -","- C58 H62 Dy2 N8 O14 -","- C116 H124 Dy4 N16 O28 -","2","1","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0205","0.0203","","","0.0512","0.0513","","","","","","1.094","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057400","9.4246","0.0019","24.17","0.005","13.79","0.003","90","","109.7","0.03","90","","2957.4","1.2","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H62 Er2 N8 O14 -","- C58 H62 Er2 N8 O14 -","- C116 H124 Er4 N16 O28 -","2","1","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0497","0.0445","","","0.1067","0.1197","","","","","","1.063","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057457","9.4479","0.0007","5.5001","0.0003","10.065","0.0007","90","","112.633","0.009","90","","482.74","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-chloro (methylsulfonyl) methanesulfonate","","- C4 H9 Cl O5 S2 -","- C4 H9 Cl O5 S2 -","- C8 H18 Cl2 O10 S4 -","2","1","","Galván, J. E.; Defonsi Lestard, M. E.; Piro, O. E.; Echeverria, G.; Molina, R. D. I.; Arena, M. E.; Ulic, S. E.; Tuttolomondo, M. E.; Ben Altabef, A.","Synthesis, characterization and crystal structure of 2-chloroethyl(methylsulfonyl)methanesulfonate","New Journal of Chemistry","2018","42","13","11073","","10.1039/C7NJ05138G","","x-ray","1.54184","CuKα","","0.0459","0.0427","","","0.1081","0.1149","","","","","","1.081","","","","has coordinates","230392","2020-10-21","18:00:00",""
"7057498","16.4181","0.0006","12.7243","0.0004","16.7191","0.0005","90","","110.964","0.001","90","","3261.57","0.19","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H112 Cu3 N10 O31 P2 -","- C38 H112 Cu3 N10 O31 P2 -","- C76 H224 Cu6 N20 O62 P4 -","2","1","","Paúrová, Monika; David, Tomáš; Císařová, Ivana; Lubal, Přemysl; Hermann, Petr; Kotek, Jan","Optimization of the selectivity and rate of copper radioisotope complexation: formation and dissociation kinetic studies of 1,4,8-trimethylcyclam-based ligands with different coordinating pendant arms","New Journal of Chemistry","2018","42","14","11908","","10.1039/C8NJ00419F","","","0.71073","MoKα","","0.0441","0.0357","","","0.0797","0.0829","","","","","","0.997","","","","has coordinates","230402","2020-10-21","18:00:00",""
"7057566","4.7539","0.0004","11.6942","0.0009","10.3125","0.0009","90","","100.378","0.003","90","","563.92","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C18 H24 N12 O8 -","2","1","","García-Raso, Angel; Terrón, Angel; Bauzá, Antonio; Frontera, Antonio; Molina, Jhon J.; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine‒glycine and adenine‒glycylglycine molecules","New Journal of Chemistry","2018","42","18","14742","","10.1039/C8NJ02147C","","","0.71073","MoKα","","0.0317","0.0294","","","0.0711","0.0725","","","","","","1.028","","","","has coordinates","230475","2020-10-21","18:00:00",""
"7057612","26.15","0.009","10.936","0.003","11.963","0.003","90","","97.49","0.008","90","","3391.9","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H79 F2 N5 O11 -","- C77 H79 F2 N5 O11 -","- C154 H158 F4 N10 O22 -","2","1","","Guo, Wei; Du, Shuang; Lin, Yulong; Lu, Bo; Yang, Caiqin; Wang, Jing; Zeng, Yanli","Structural and computational insights into the enhanced solubility of dipfluzine by complexation: salt and salt-cocrystal","New Journal of Chemistry","2018","42","18","15068","","10.1039/C8NJ01576G","","","0.71073","MoKα","","0.1396","0.0572","","","0.1207","0.1714","","","","","","1.043","","","","has coordinates","230483","2020-10-21","18:00:00",""
"7057619","8.4327","0.0005","15.0083","0.0009","8.6042","0.0005","90","","96.354","0.002","90","","1082.26","0.11","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H25 F6 O2 P Ru -","- C20 H25 F6 O2 P Ru -","- C40 H50 F12 O4 P2 Ru2 -","2","1","","Celedón, Salvador; de Camargo, Andrea S. S.; Fuentealba, Mauricio; Artigas, Vania; Benavente, Eglantina; González, Guillermo","Highly emissive host‒guest based on nanoclay intercalated with an Eu3+ complex bearing a new Ru2+ organometallic ligand","New Journal of Chemistry","2018","42","18","15284","","10.1039/C8NJ02432D","","","0.71073","MoKα","","0.0339","0.0317","","","0.0851","0.0872","","","","","","1.052","","","","has coordinates,has disorder","230491","2020-10-21","18:00:00",""
"7057708","9.5594","0.0001","5.4231","0.0001","32.063","0.0006","90","","91.892","0.001","90","","1661.29","0.05","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Mn N2 O7 -","- C40 H36 Mn N2 O7 -","- C80 H72 Mn2 N4 O14 -","2","1","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","1.54178","CuKα","","0.0402","0.0348","","","0.0566","0.0595","","","","","","0.975","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057711","9.7397","0.0001","5.5786","0.0001","33.216","0.0001","90","","96.619","0.001","90","","1792.73","0.04","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 Mn N2 O8 -","- C38 H40 Mn N2 O8 -","- C76 H80 Mn2 N4 O16 -","2","1","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","1.54178","CuKα","","0.0343","0.0321","","","0.0744","0.0756","","","","","","1.015","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057719","7.8799","0.0006","7.4837","0.0005","8.0522","0.0006","90","","102.935","0.003","90","","462.8","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H9 Br2 Cd N O3 -","- C5 H9 Br2 Cd N O3 -","- C10 H18 Br4 Cd2 N2 O6 -","2","1","","Boopathi, K.; Babu, S. Moorthy; Jagan, R.; Athimoolam, S.; Ramasamy, P.","Synthesis, crystal growth, physio-chemical characterization and quantum chemical calculations of NLO active metal‒organic crystal: dibromo(4-hydroxy-l-proline)cadmium(ii) for non-linear optical applications","New Journal of Chemistry","2018","42","21","17464","","10.1039/C8NJ02548G","","","0.71073","MoKα","","0.0209","0.0187","","","0.0549","0.0569","","","","","","0.616","","","","has coordinates","230516","2020-10-21","18:00:00",""
"7057728","6.2578","0.0005","13.1115","0.0006","10.1534","0.0004","90","","96.245","0.005","90","","828.13","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 B O3 -","- C16 H27 B O3 -","- C32 H54 B2 O6 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Guo, Haiyang; Xu, Hao; Zhang, Junyong; Xie, Jingli","Efficient heterogeneous hydroboration of alkynes: enhancing the catalytic activity by Cu(0) incorporated CuFe2O4 nanoparticles","New Journal of Chemistry","2018","42","21","17346","","10.1039/C8NJ03708F","","","1.54184","CuKα","","0.0576","0.0455","","","0.1365","0.1458","","","","","","1.06","","","","has coordinates","230512","2020-10-21","18:00:00",""
"7057744","8.8584","0.0018","7.6373","0.0015","12.517","0.003","90","","103.91","0.03","90","","822","0.3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O9 -","- C14 H19 N O9 -","- C28 H38 N2 O18 -","2","1","","Tangara, Salia; Kanazawa, Alice; Fayolle, Martine; Philouze, Christian; Poisson, Jean-François; Behr, Jean-Bernard; Py, Sandrine","Short synthesis, X-ray and conformational analysis of a cyclic peracetylated l-sorbose-derived nitrone, a useful intermediate towards N‒O-containing d-gluco-iminosugars","New Journal of Chemistry","2018","42","20","16735","","10.1039/C8NJ03868F","","x-ray","1.54178","CuKα","","0.058","0.0564","","","0.1798","0.1812","","","","","","1.1","","","","has coordinates","230358","2020-10-21","18:00:00",""
"7057778","9.5828","0.0003","8.4187","0.0003","9.7002","0.0003","90","","105.088","0.001","90","","755.58","0.04","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 Cu2 I2 N2 Se -","- C11 H10 Cu2 I2 N2 Se -","- C22 H20 Cu4 I4 N4 Se2 -","2","1","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.71073","MoKα","","0.0239","0.0189","","","0.034","0.0352","","","","","","1.045","","","","has coordinates","230511","2020-10-21","18:00:00",""
"7057790","8.05","0.09","6.18","0.07","13.66","0.15","90","","105.7","0.2","90","","654","13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-2,2-difluoro-3-(1-phenylethyl)-2H-2l4,3l4-benzo[e][1,3,2]oxazaborinine","","- C15 H14 B F2 N O -","- C15 H14 B F2 N O -","- C30 H28 B2 F4 N2 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71076","MoKα","","0.0682","0.0522","","","0.1222","0.1335","","","","","","1.035","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057793","8.1632","0.0011","6.2464","0.0007","13.8361","0.0016","90","","105.594","0.007","90","","679.54","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2,2-difluoro-3-(1-phenylethyl)-2H-2l4,3l4-benzo[e][1,3,2]oxazaborinine","","- C15 H14 B F2 N O -","- C15 H14 B F2 N O -","- C30 H28 B2 F4 N2 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71073","MoKα","","0.0905","0.061","","","0.1307","0.1466","","","","","","1.051","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057827","13.1956","0.0003","5.6323","0.0002","20.3477","0.0005","90","","91.524","0.002","90","","1511.74","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","((6R,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl)(λ^3^-oxidaneylidyne)(p-tolyl)-λ^7^-sulfanone","","- C14 H19 N O6 S -","- C14 H19 N O6 S -","- C56 H76 N4 O24 S4 -","4","2","","Cobb, Alexander J. A.; Dell’Isola, Antonio; Abdulsattar, Ban O.; McLachlan, Matthew M. W.; Neuman, Benjamin W.; Müller, Christin; Shankland, Kenneth; Al-Mulla, Hawaa M. N.; Binks, Alexander W. D.; Elvidge, Warren","Synthesis and antiviral activity of novel spirocyclic nucleosides","New Journal of Chemistry","2018","42","22","18363","","10.1039/C8NJ02777C","","x-ray","1.54184","CuKα","","0.0474","0.044","","","0.1405","0.1497","","","","","","1.069","","","","has coordinates","230215","2020-10-21","18:00:00",""
"7057841","7.7436","0.001","7.0456","0.0009","11.7412","0.0015","90","","92.74","0.004","90","","639.85","0.14","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Br0.75 Cl5.25 Cr2 N4 O0 -","- C18 H24 Br0.746 Cl5.254 Cr2 N4 -","- C18 H24 Br0.746 Cl5.254 Cr2 N4 -","1","0.5","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0974","0.0721","","","0.191","0.2033","","","","","","1.074","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057858","18.049","0.0006","21.7263","0.0006","28.4345","0.001","90","","107.237","0.003","90","","10649.5","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H132 I6 N16 O10 S -","- C86 H132 I6 N16 O10 S -","- C344 H528 I24 N64 O40 S4 -","4","2","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.1184","0.062","","","0.1552","0.1893","","","","","","0.906","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057862","6.5215","0.0003","13.1197","0.0005","15.0635","0.0006","90","","91.4163","0.0008","90","","1288.44","0.09","180","","180","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-deschloroketamine","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","2","","Jurásek, Bronislav; Králík, František; Rimpelová, Silvie; Čejka, Jan; Setnička, Vladimír; Ruml, Tomáš; Kuchař, Martin; Kohout, Michal","Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic","New Journal of Chemistry","2018","42","24","19360","","10.1039/C8NJ03107J","","","1.54178","CuKα","","0.0253","0.0251","","0.0677","0.0676","0.0677","","","","","","0.9997","","","","has coordinates","230171","2020-10-21","18:00:00",""
"7057863","6.5245","0.0003","13.124","0.0005","15.065","0.0006","90","","91.441","0.001","90","","1289.57","0.09","180","","180","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-deschloroketamine","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","2","","Jurásek, Bronislav; Králík, František; Rimpelová, Silvie; Čejka, Jan; Setnička, Vladimír; Ruml, Tomáš; Kuchař, Martin; Kohout, Michal","Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic","New Journal of Chemistry","2018","42","24","19360","","10.1039/C8NJ03107J","","","1.54178","CuKα","","0.0266","0.0261","","0.0698","0.0689","0.0698","","","","","","0.9997","","","","has coordinates","230171","2020-10-21","18:00:00",""
"7057987","7.8894","0.0007","19.915","0.0015","8.3691","0.0006","90","","101.004","0.008","90","","1290.75","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","diaqua tetrakis(2-methyl-5H-tetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-methyl-5H-tetrazolyl) copper(II) diperchlorate","","- C8 H24 Cl2 Cu N20 O10 -","- C8 H24 Cl2 Cu N20 O10 -","- C16 H48 Cl4 Cu2 N40 O20 -","2","1","","Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg","2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties","New Journal of Chemistry","2019","43","2","609","","10.1039/C8NJ05375H","","x-ray","0.71073","MoKα","","0.062","0.0511","","","0.1189","0.1278","","","","","","1.054","","","","has coordinates","224820","2020-10-21","18:00:00",""
"7058037","5.288","0.003","7.448","0.005","30.857","0.019","90","","92.94","0.007","90","","1213.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C44 H84 N4 O12 -","4","2","","Kodama, Koichi; Kawamata, Ryuta; Hirose, Takuji","Synthesis and evaluation of chiral β-amino acid-based low-molecular-weight organogelators possessing a methyl/trifluoromethyl side chain","New Journal of Chemistry","2019","43","7","2882","","10.1039/C8NJ05668D","","","0.71073","MoKα","","0.2111","0.0791","","","0.1206","0.1591","","","","","","0.89","","","","has coordinates","224880","2020-10-21","18:00:00",""
"7058044","12.697","0.003","16.573","0.004","14.45","0.003","90","","99.088","0.003","90","","3002.5","1.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H73 N25 O20 -","- C51 H57 N25 O20 -","- C102 H114 N50 O40 -","2","1","","Zhang, Mingli; Shi, Hao; Meng, Di; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Liu, Jing-Xin","Encapsulation and removal of aniline by di-cyclohexanocucurbit[6]uril","New Journal of Chemistry","2019","43","3","1487","","10.1039/C8NJ05298K","","","0.71073","MoKα","","0.0988","0.0802","","","0.227","0.2525","","","","","","1.008","","","","has coordinates","225008","2020-10-21","18:00:00",""
"7058089","5.7668","0.0008","21.831","0.003","11.7987","0.0016","90","","97.694","0.002","90","","1472","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H25 Cu F N6 O3 -","- C36 H25 Cu F N6 O3 -","- C72 H50 Cu2 F2 N12 O6 -","2","1","","Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng","Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity","New Journal of Chemistry","2019","43","6","2529","","10.1039/C8NJ02695E","","","0.71073","MoKα","","0.0468","0.0387","","","0.0756","0.0783","","","","","","1.005","","","","has coordinates","224828","2020-10-21","18:00:00",""
"7058107","12.1002","0.0004","21.8812","0.0008","16.8746","0.0006","90","","109.108","0.001","90","","4221.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H98 N12 O8 Pt2 S4 -","- C91 H98 N12 O8 Pt2 S4 -","- C182 H196 N24 O16 Pt4 S8 -","2","1","","Kangara, Edmore F.; Peega, Tebogo; Harmse, Leonie; van Wyk, Juanita L.; Levendis, Demetrius C.; Kotzé, Izak A.","Conformational analysis and potential anticancer activity of [Pt(phen)(L1-κS)2] studied by single crystal X-ray diffraction and variable temperature 1H and 195Pt NMR spectroscopy","New Journal of Chemistry","2019","43","9","3665","","10.1039/C8NJ06010J","","","0.71073","MoKα","","0.0219","0.0205","","","0.0446","0.0449","","","","","","1.085","","","","has coordinates","224890","2020-10-21","18:00:00",""
"7058134","8.9464","0.0003","6.8743","0.0002","9.9114","0.0003","90","","90.1","0.002","90","","609.55","0.03","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria","The first enantioselective strategy towards speciosins","New Journal of Chemistry","2019","43","9","3653","","10.1039/C8NJ06158K","","","1.54178","CuKα","","0.0605","0.0471","","","0.1093","0.1167","","","","","","1.123","","","","has coordinates,has disorder","224894","2020-10-21","18:00:00",""
"7058163","9.1744","0.0002","23.9422","0.0005","16.3375","0.0004","90","","91.446","0.002","90","","3587.48","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C21 H18 F N3 O -","- C21 H18 F N3 O -","- C168 H144 F8 N24 O8 -","8","4","","Chen, Yuan; Fuyue, Liuting; Wang, Gangqiang; Wang, Hang; Lu, Chun; Guo, Haibing; St. Amant, Chiara; Sun, Shaofa; Xing, Yalan","Synthesis of 1,2,4-oxadiazolidines via [3+2] cycloaddition of nitrones with carbodiimides","New Journal of Chemistry","2019","43","11","4329","","10.1039/C9NJ00030E","","x-ray","1.54184","CuKα","","0.1358","0.1235","","","0.164","0.2295","","","","","","1.007","","","","has coordinates","224975","2020-10-21","18:00:00",""
"7058179","9.4628","0.0015","10.1211","0.0016","10.7468","0.0017","90","","108.784","0.004","90","","974.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C1.78947 H3.15789 N0.210526 O0.526316 -","- C34 H60 N4 O10 -","19","9.5","","Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.","Intertwined gababutin-based supramolecular double helix","New Journal of Chemistry","2019","43","12","4830","","10.1039/C8NJ05009K","","","0.71073","MoKα","","0.0546","0.0457","","","0.1287","0.1377","","","","","","1.004","","","","has coordinates","224993","2020-10-21","18:00:00",""
"7058202","8.1697","0.0018","14.797","0.004","19.644","0.005","90","","96.45","0.02","90","","2359.7","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C104 H108 N4 O28 S4 -","4","2","","Liu, Lixin; Zou, Dongyu; Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Zhang, Qiang; Wang, Jian; Zeng, Shaoyu; Wang, Conggang","Assembly of three pharmaceutical salts/cocrystals of tetrahydroberberine with sulfophenyl acids: improving the properties by formation of charge-assisted hydrogen bonds","New Journal of Chemistry","2019","43","12","4886","","10.1039/C9NJ00131J","","","0.71073","MoKα","","0.256","0.1185","","","0.1557","0.2029","","","","","","0.878","","","","has coordinates","224997","2020-10-21","18:00:00",""
"7058205","15.1193","0.0016","31.626","0.004","15.4815","0.0017","90","","90.221","0.005","90","","7402.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H118 Cl2 Cu2 O4 P2 -","- C74 H100 Cl2 Cu2 O4 P2 -","- C296 H400 Cl8 Cu8 O16 P8 -","4","2","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Enantioselective Cu-catalyzed 1,4-additions of organozinc and Grignard reagents to enones: exceptional performance of the hydrido-phosphite-ligand BIFOP-H","New Journal of Chemistry","2019","43","12","4787","","10.1039/C8NJ05886E","","","1.54178","CuKα","","0.0867","0.0698","","","0.1781","0.1878","","","","","","1.048","","","","has coordinates","224992","2020-10-21","18:00:00",""
"7058222","13.957","0.002","5.455","0.0009","14.7103","0.0019","90","","107.844","0.009","90","","1066.1","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Bouzayani, Nadia; Marque, Sylvain; Kacem, Yakdhane; Kraïem, Jamil; Bourdreux, Flavien; Marrot, Jérôme; Ben Hassine, Béchir","Chiral arylideneaminoimidazolidin-4-ones: green synthesis and isomerisation mechanism in solution","New Journal of Chemistry","2019","43","12","4777","","10.1039/C9NJ00022D","","","0.71073","MoKα","","0.1065","0.0666","","","0.1414","0.1579","","","","","","1.074","","","","has coordinates","224999","2020-10-21","18:00:00",""
"7058237","16.836","0.017","8.35","0.008","19.27","0.02","90","","90.98","0.03","90","","2709","5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","(1S,2S,1'R,2'R)-Azide","","","- C60 H64 N10 O2 P2 -","- C60 H59 N9.606 O2 P2 -","- C120 H118 N19.212 O4 P4 -","2","1","","Cruz-Hernández, Carlos; Landeros, José M.; Juaristi, Eusebio","Multifunctional phosphoramide-(S)-prolinamide derivatives as efficient organocatalysts in asymmetric aldol and Michael reactions","New Journal of Chemistry","2019","43","14","5455","","10.1039/C9NJ00300B","","x-ray","0.71073","MoKα","","0.1065","0.0701","","","0.1677","0.1943","","","","","","1.048","","","","has coordinates,has disorder","224876","2020-10-21","18:00:00",""
"7058267","10.1699","0.0018","32.789","0.006","11.604","0.002","90","","96.672","0.004","90","","3843.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H55 O4 Ti2 -","- C43 H55 O4 Ti2 -","- C172 H220 O16 Ti8 -","4","2","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Laricheva, Yuliya A.; Piskunov, Alexandr V.","Di-tert-butylcatecholate derivatives of titanocene","New Journal of Chemistry","2019","43","17","6636","","10.1039/C9NJ00771G","","x-ray","0.71073","MoKα","","0.0531","0.0408","","","0.087","0.091","","","","","","1.031","","","","has coordinates","224803","2020-10-21","18:00:00",""
"7058328","7.435","0.002","7.636","0.002","14.212","0.004","90","","95.87","0.02","90","","802.6","0.4","226","2","226","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O7 -","- C15 H15 N3 O7 -","- C30 H30 N6 O14 -","2","1","","Sharada, Durgam; Saha, Arijit; Saha, Binoy K.","Charge transfer complexes as colour changing and disappearing‒reappearing colour materials","New Journal of Chemistry","2019","43","20","7562","","10.1039/C9NJ00823C","","","0.71073","MoKα","","0.0678","0.0478","","","0.1173","0.1352","","","","","","1.044","","","","has coordinates","224861","2020-10-21","18:00:00",""
"7058349","9.91","0.002","24.91","0.005","15.236","0.003","90","","108.51","0.03","90","","3566.6","1.4","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C150 H148 As4 Cl4 F24 N8 P4 Ru4 -","- C150 H148 As4 Cl4 F24 N8 P4 Ru4 -","- C150 H148 As4 Cl4 F24 N8 P4 Ru4 -","1","0.5","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0344","0.0289","","","0.0588","0.0613","","","","","","0.866","","","","has coordinates,has disorder","224696","2020-10-21","18:00:00",""
"7058379","9.9424","0.0017","15.5693","0.0007","10.617","0.005","90","","113.65","0.04","90","","1505.4","0.9","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H38 F N Na O3 P Se -","- C30 H38 F N Na O3 P Se -","- C60 H76 F2 N2 Na2 O6 P2 Se2 -","2","1","","Harinath, Adimulam; Bhattacharjee, Jayeeta; Sarkar, Alok; Panda, Tarun K.","Alkali metal complex-mediated ring-opening polymerization of rac-LA, ε-caprolactone, and δ-valerolactone","New Journal of Chemistry","2019","43","23","8882","","10.1039/C9NJ01130G","","","0.71073","MoKα","","0.0401","0.0358","","","0.0878","0.0912","","","","","","1.08","","","","has coordinates,has disorder","224922","2020-10-21","18:00:00",""
"7058411","7.9733","0.0002","7.1751","0.0002","20.4219","0.0006","90","","90.648","0.002","90","","1168.25","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 F Fe N3 O6 -","- C25 H28 F Fe N3 O6 -","- C50 H56 F2 Fe2 N6 O12 -","2","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0402","0.0377","","","0.092","0.0939","","","","","","1.084","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058502","29.068","0.0004","20.8255","0.0003","29.6402","0.0004","90","","94.3994","0.0012","90","","17890","0.4","99.9","0.3","100","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","","","","- C312 H439 K4 N36 Ni12 O94 S24 -","- C312 H439 K4 N36 Ni12 O94 S24 -","- C624 H878 K8 N72 Ni24 O188 S48 -","2","1","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","1.54184","CuKα","","0.0778","0.0681","","","0.1863","0.1943","","","","","","1.037","","","","has coordinates,has disorder","224677","2020-10-21","18:00:00",""
"7058525","9.1234","0.0006","12.7495","0.0008","9.6022","0.0006","90","","116.321","0.001","90","","1001.12","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","'C26 H18 O Se, O'","","- C26 H18 O2 Se -","- C26 H18 O2 Se -","- C52 H36 O4 Se2 -","2","1","","Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko","A reversible and turn-on type fluorescence behaviour of hydrogen sulfide via a redox cycle between selenoxide and selenide","New Journal of Chemistry","2019","43","29","11643","","10.1039/C9NJ02813G","","","0.71073","MoKα","","0.0361","0.033","","","0.0734","0.0745","","","","","","1.038","","","","has coordinates","224672","2020-10-21","18:00:00",""
"7058541","6.879","0.0003","8.5804","0.0003","22.3944","0.0011","90","","91.071","0.004","90","","1321.59","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O5 V -","- C26 H30 N5 O5 V -","- C52 H60 N10 O10 V2 -","2","1","","Mohanty, Monalisa; MAURYA, Shailendra K; Banerjee, Atanu; Patra, Sushree Aradhana; Maurya, Mannar Ram; Crochet, Aurelien; Brzezinski, Krzysztof; Dinda, Rupam","In vitro cytotoxicity and catalytic evaluation of dioxidovanadium(V) complexes in azohydrazone ligand environment","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01815H","","x-ray","0.71073","MoKα","","0.088","0.0643","","","0.1478","0.1607","","","","","","1.003","","","","has coordinates","216606","2020-10-21","18:00:00",""
"7058542","6.9776","0.0006","8.6271","0.0007","22.0397","0.0018","90","","94.002","0.007","90","","1323.48","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O4 V -","- C26 H30 N5 O4 V -","- C52 H60 N10 O8 V2 -","2","1","","Mohanty, Monalisa; MAURYA, Shailendra K; Banerjee, Atanu; Patra, Sushree Aradhana; Maurya, Mannar Ram; Crochet, Aurelien; Brzezinski, Krzysztof; Dinda, Rupam","In vitro cytotoxicity and catalytic evaluation of dioxidovanadium(V) complexes in azohydrazone ligand environment","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01815H","","x-ray","0.71073","MoKα","","0.1219","0.0499","","","0.0919","0.1164","","","","","","0.873","","","","has coordinates","216606","2020-10-21","18:00:00",""
"7058585","7.4443","0.0004","18.6609","0.0012","13.3061","0.0008","90","","95.543","0.002","90","","1839.8","0.19","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N O5.5 V -","- C16 H26 N O5 V -","- C64 H104 N4 O20 V4 -","4","2","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.0917","0.0617","","","0.1565","0.176","","","","","","1.016","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058639","10.18","0.0004","35.4503","0.0015","13.158","0.0005","90","","90.008","0.002","90","","4748.5","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N2 O11 V -","- C29 H31 N2 O11 V -","- C174 H186 N12 O66 V6 -","6","3","","Mohammadnezhad, Gholamhossein; Akintola, Oluseun; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Probing chirality of oxidovanadium(V) centers in complexes with tridentate sugar Schiff-base ligands: solid-state and solution behavior","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02881A","","","0.71069","MoKα","","0.0746","0.0591","","","0.1241","0.1361","","","","","","1.1","","","","has coordinates","217227","2020-10-21","18:00:00",""
"7058782","15.1193","0.0016","31.626","0.004","15.4815","0.0017","90","","90.221","0.005","90","","7402.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H118 Cl2 Cu2 O4 P2 -","- C74 H100 Cl2 Cu2 O4 P2 -","- C296 H400 Cl8 Cu8 O16 P8 -","4","2","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0867","0.0698","","","0.1781","0.1878","","","","","","1.048","","","","has coordinates","224783","2020-10-21","18:00:00",""
"7058869","10.9589","0.0007","7.4707","0.0004","14.1977","0.0008","90","","99.603","0.006","90","","1146.09","0.12","298","10","298","10","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C52 H60 N4 O6 -","2","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.0522","0.0424","","","0.0895","0.0963","","","","","","1.042","","","","has coordinates","224768","2020-10-21","18:00:00",""
"7058887","7.7345","0.0008","7.2239","0.0006","13.9285","0.0013","90","","90.6","0.007","90","","778.19","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N4 O5 -","- C17 H12 N4 O5 -","- C34 H24 N8 O10 -","2","1","","Bej, Sourav; Das, Riyanka; Hirani, Harish; Ghosh, Somnath; Banerjee, Priyabrata","“Naked eye” detection of CN- from aqueous phase and other extracellular matrices: An experimental and theoretical approach mimicking logic gate concept","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04528G","","","0.71073","MoKα","","0.1623","0.1504","","","0.3544","0.3589","","","","","","1.088","","","","has coordinates","219308","2020-10-21","18:00:00",""
"7058965","9.2272","0.0004","10.2167","0.0005","13.4242","0.0006","90","","106.764","0.0007","90","","1211.73","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H39 I N2 O4 Si -","- C18 H39 I N2 O4 Si -","- C36 H78 I2 N4 O8 Si2 -","2","1","","Perez-Perez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Jancik, Vojtech","Bifunctional silanol-based HBD catalysts for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04840E","","","0.71073","MoKα","","0.0251","0.0249","","","0.0633","0.0634","","","","","","1.072","","","","has coordinates,has disorder","223283","2020-10-21","18:00:00",""
"7058966","9.199","0.0006","10.1509","0.0006","13.4605","0.0008","90","","105.605","0.001","90","","1210.58","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H39 I N2 O4 Si -","- C18 H39 I N2 O4 Si -","- C36 H78 I2 N4 O8 Si2 -","2","1","","Perez-Perez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Jancik, Vojtech","Bifunctional silanol-based HBD catalysts for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04840E","","","0.71073","MoKα","","0.0263","0.0254","","","0.0616","0.0623","","","","","","1.03","","","","has coordinates,has disorder","223283","2020-10-21","18:00:00",""
"7058972","7.7206","0.0015","11.737","0.002","16.646","0.003","90","","102.16","0.03","90","","1474.6","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H46 O4 -","- C34 H46 O4 -","- C68 H92 O8 -","2","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0375","0.036","","","0.0906","0.0939","","","","","","1.076","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7059011","12.741","0.005","14.392","0.005","13.389","0.005","90","0.005","118.23","0.005","90","0.005","2163.1","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H34 Cl Co2 N6 O11 -","- C40 H34 Cl Co2 N6 O11 -","- C80 H68 Cl2 Co4 N12 O22 -","2","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh","Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03236C","","","0.71073","MoKα","","0.13","0.0645","","","0.1331","0.1637","","","","","","0.979","","","","has coordinates,has disorder","223441","2020-10-21","18:00:00",""
"7059013","12.812","0.002","14.057","0.003","13.575","0.003","90","","114.454","0.005","90","","2225.5","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H34 Cl Co2 N6 O11 -","- C44 H34 Cl Co2 N6 O11 -","- C88 H68 Cl2 Co4 N12 O22 -","2","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh","Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03236C","","","0.71073","MoKα","","0.0806","0.0646","","","0.1556","0.1668","","","","","","1.221","","","","has coordinates","223441","2020-10-21","18:00:00",""
"7059039","10.0344","0.0004","8.1177","0.0003","20.1951","0.0008","90","","97.782","0.002","90","","1629.87","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H31 N5 O3 S -","- C39 H31 N5 O3 S -","- C78 H62 N10 O6 S2 -","2","1","","Yadav, Neetu; Singh, Ashok Kumar","Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach","New Journal of Chemistry","2018","42","8","6023","","10.1039/C8NJ00230D","","","0.71073","MoKα","","0.1766","0.0603","","","0.1319","0.1592","","","","","","0.794","","","","has coordinates","288219","2023-12-11","21:40:11",""
"7059097","9.6743","0.0003","5.6824","0.0002","30.9646","0.0009","90","","91.293","0.002","90","","1701.79","0.09","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 N2 Ni O7 -","- C40 H36 N2 Ni O7 -","- C80 H72 N4 Ni2 O14 -","2","1","","Totta, Xanthippi; Hatzidimitriou, Antonios G.; Papadopoulos, Athanasios N.; Psomas, George","Nickel(ii)‒naproxen mixed-ligand complexes: synthesis, structure, antioxidant activity and interaction with albumins and calf-thymus DNA","New Journal of Chemistry","2017","41","11","4478","","10.1039/C7NJ00257B","","x-ray","0.71073","MoKα","","0.0468","0.0349","","0.0787","0.0734","0.0734","","","","","","1.0736","","","","has coordinates","235697","2020-10-21","18:00:00",""
"7059098","9.226","0.0007","5.9603","0.0005","30.784","0.003","90","","91.522","0.005","90","","1692.2","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 N2 Ni O7 -","- C39 H38 N2 Ni O7 -","- C78 H76 N4 Ni2 O14 -","2","1","","Totta, Xanthippi; Hatzidimitriou, Antonios G.; Papadopoulos, Athanasios N.; Psomas, George","Nickel(ii)‒naproxen mixed-ligand complexes: synthesis, structure, antioxidant activity and interaction with albumins and calf-thymus DNA","New Journal of Chemistry","2017","41","11","4478","","10.1039/C7NJ00257B","","x-ray","0.71073","MoKα","","0.1366","0.0588","","0.0866","0.0717","0.0717","","","","","","0.9916","","","","has coordinates","235697","2020-10-21","18:00:00",""
"7059167","12.6956","0.0011","38.111","0.003","13.6534","0.0012","90","","97.351","0.002","90","","6551.8","1","298.15","","298.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H50 B F24 Ni O3 P -","- C65 H50 B F24 Ni O3 P -","- C260 H200 B4 F96 Ni4 O12 P4 -","4","2","","Behzadi, Shabnam; Chi, Mingjun; Pang, Wenmin; Liang, Tao; Tan, Chen","Camphor-based phosphine-carbonyl ligands for Ni catalyzed ethylene oligomerization","New Journal of Chemistry","2020","44","3","1076","1081","10.1039/C9NJ05408A","","","0.71073","MoKα","","0.1957","0.0775","","","0.1486","0.1862","","","","","","0.987","","","","has coordinates,has disorder","257903","2020-10-21","18:00:00",""
"7059238","13.507","0.003","5.924","0.001","23.648","0.005","90","","94.45","0.02","90","","1886.5","0.7","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H38 S5 -","- C43 H38 S5 -","- C86 H76 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2822","0.0721","","","0.1014","0.1612","","","","","","0.861","","","","has coordinates","257695","2020-10-21","18:00:00",""
"7059239","13.174","0.002","5.8936","0.001","23.803","0.002","90","","94.469","0.012","90","","1842.5","0.4","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H36 O S5 -","- C42 H36 O S5 -","- C84 H72 O2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2608","0.0786","","","0.1051","0.1622","","","","","","0.96","","","","has coordinates,has disorder","257695","2020-10-21","18:00:00",""
"7059240","12.9947","0.0019","5.79","0.001","23.584","0.003","90","","94.71","0.012","90","","1768.5","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H36 O S5 -","- C42 H36 O S5 -","- C84 H72 O2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2577","0.0884","","","0.1052","0.159","","","","","","0.95","","","","has coordinates,has disorder","257695","2020-10-21","18:00:00",""
"7059241","12.931","0.004","5.8914","0.0014","23.919","0.007","90","","94.154","0.011","90","","1817.4","0.9","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","A5CN_RT","","- C42 H35 N S5 -","- C42 H35 N S5 -","- C84 H70 N2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","powder diffraction","","1.54056","CuKα1andKα2","","","","","","","","","10.3392","1.99202","","","","","","","has coordinates","257695","2020-10-21","18:00:00",""
"7059255","12.424","0.0005","5.7358","0.0002","16.382","0.0006","90","","101.436","0.004","90","","1144.23","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","indomethacin L-proline","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid L-proline","","- C24 H27 Cl N2 O7 -","- C24 H27 Cl N2 O7 -","- C48 H54 Cl2 N4 O14 -","2","1","","Wang, Ling-Yang; Yu, Yue-Ming; Jiang, Fu-Bin; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","The first zwitterionic cocrystal of indomethacin with amino acid showing optimized physicochemical properties as well as accelerated absorption and slowed elimination in vivo","New Journal of Chemistry","2020","44","10","3930","3939","10.1039/C9NJ06180K","","","1.54184","CuKα","","0.0841","0.0788","","","0.2035","0.2096","","","","","","1.033","","","","has coordinates","257653","2020-10-21","18:00:00",""
"7059298","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059301","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059348","9.8979","0.0002","14.8359","0.0004","7.3795","0.0001","90","","105.826","0.001","90","","1042.56","0.04","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron methylpyridine pentacyanonitrosilferrates (II)","","- C17 Fe2 N8 O -","- C17 Fe2 N8 O -","- C34 Fe4 N16 O2 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059350","7.3006","0.0001","14.8714","0.0002","9.7573","0.0002","90","","102.062","0.001","90","","1035.96","0.03","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron pyridinecarboxaldehyde pentacyanonitrosilferrates (II)","","- C17 Fe2 N8 O3 -","- C17 Fe2 N8 O3 -","- C34 Fe4 N16 O6 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059351","7.2712","0.0002","15.0207","0.0004","10.7144","0.0002","90","","110.2","0.01","90","","1098.23","0.08","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron vinylpyridine pentacyanonitrosilferrates (II)","","- C19 Fe2 N8 O -","- C19 Fe2 N8 O -","- C38 Fe4 N16 O2 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059356","17.9271","0.0009","13.5236","0.0007","22.1821","0.0011","90","","98.955","0.001","90","","5312.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H124 Cu6 N12 O13 P6 S12 -","- C79 H124 Cu6 N12 O13 P6 S12 -","- C158 H248 Cu12 N24 O26 P12 S24 -","2","1","","Metlushka, Kirill E.; Sadkova, Dilyara N.; Nikitina, Kristina A.; Pashagin, Alexander V.; Khrizanforov, Mikhail N.; Budnikova, Yulia H.; Morozov, Vladimir I.; Islamov, Daut R.; Latypov, Shamil K.; Kataeva, Olga N.; Alfonsov, Vladimir A.","Synthesis of the first chiral polynuclear copper(i) complex based on (R)-1-(1-phenyl)ethyl-3-(O,O-diethylthiophosphoryl)thiourea and its characterization in the solid state and solution","New Journal of Chemistry","2020","44","8","3224","3231","10.1039/C9NJ05683A","","","0.71073","MoKα","","0.0469","0.0419","","","0.1051","0.1082","","","","","","1.066","","","","has coordinates,has disorder","257693","2020-10-21","18:00:00",""
"7059409","9.0742","0.0003","10.8811","0.0004","11.8127","0.0004","90","","102.664","0.003","90","","1137.98","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 Cl N2 -","- C10 H19 Cl N2 -","- C40 H76 Cl4 N8 -","4","2","","Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol","Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials","New Journal of Chemistry","2020","44","16","6375","6383","10.1039/D0NJ00349B","","x-ray","1.54184","CuKα","K-L~2,3~","0.0342","0.034","","","0.0886","0.0889","","","","","","1.064","","","","has coordinates","257782","2020-10-21","18:00:00",""
"7059501","12.2041","0.0004","7.295","0.0002","17.0133","0.0006","90","","95.532","0.001","90","","1507.62","0.08","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 B10 Fe2 S2 -","- C30 H32 B10 Fe2 S2 -","- C60 H64 B20 Fe4 S4 -","2","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0286","0.026","","","0.0489","0.0502","","","","","","1.019","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059595","11.5749","0.0003","8.9564","0.0002","12.5886","0.0004","90","","116.214","0.001","90","","1170.83","0.06","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.35 H1.74 N0.35 O0.26 -","- C2.34783 H1.73913 N0.347826 O0.26087 -","- C54 H40 N8 O6 -","23","11.5","","Gao, Yuan; Wang, Xiaonan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Asymmetric synthesis of spirooxindole‒pyranoindole products via Friedel‒Crafts alkylation/cyclization of the indole carbocyclic ring","New Journal of Chemistry","2020","44","23","9788","9792","10.1039/D0NJ00074D","","","0.71073","MoKα","","0.0766","0.043","","","0.0942","0.1147","","","","","","1.022","","","","has coordinates","257862","2020-10-21","18:00:00",""
"7059634","8.9583","0.0005","18.515","0.0009","9.0555","0.0005","90","","91.47","0.002","90","","1501.48","0.14","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C60 H80 O26 -","2","1","","Dong, Shu-Hui; Bai, Ming; Hou, Zi-Lin; Zhou, Wei-Yu; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Dihydroagarofuran sesquiterpenoid derivatives from the leaves of Tripterygium wilfordii with potential neuroprotective effects against H2O2-induced SH-SY5Y cell injuries","New Journal of Chemistry","2020","44","25","10258","10265","10.1039/D0NJ00703J","","","1.34139","GaKα","","0.0598","0.0471","","","0.1178","0.1293","","","","","","1.026","","","","has coordinates","257787","2020-10-21","18:00:00",""
"7059696","12.983","0.003","12.994","0.003","33.62","0.007","90","","91.884","0.004","90","","5669","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H52 N6 Ni2 O6 -","- C60 H52 N6 Ni2 O6 -","- C240 H208 N24 Ni8 O24 -","4","2","","Mkrtchyan, Anna F.; Hayriyan, Liana A.; Karapetyan, Ani J.; Tovmasyan, Anna S.; Tsaturyan, Avetis H.; Khrustalev, Victor N.; Maleev, Viktor I.; Saghyan, Ashot S.","Using the Ni-[(benzylprolyl)amino]benzophenone complex in the Glaser reaction for the synthesis of bis α-amino acids","New Journal of Chemistry","2020","44","28","11927","11932","10.1039/D0NJ02072A","","","0.71073","MoKα","","0.1028","0.0766","","","0.1852","0.1998","","","","","","1.064","","","","has coordinates,has disorder","257646","2020-10-21","18:00:00",""
"7059797","10.392","0.0006","10.2078","0.0006","14.5078","0.0009","90","","105.801","0.002","90","","1480.83","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H48 N2 O2 -","- C37 H48 N2 O2 -","- C74 H96 N4 O4 -","2","1","","Sviripa, Vitaliy M.; Fiandalo, Michael V.; Begley, Kristin L.; Wyrebek, Przemyslaw; Kril, Liliia M.; Balia, Andrii G.; Parkin, Sean R.; Subramanian, Vivekanandan; Chen, Xi; Williams, Alexander H.; Zhan, Chang-Guo; Liu, Chunming; Mohler, James L.; Watt, David S.","Pictet‒Spengler condensations using 4-(2-aminoethyl)coumarins","New Journal of Chemistry","2020","44","31","13415","13429","10.1039/D0NJ02664F","","","0.71073","MoKα","","0.0699","0.047","","","0.1063","0.1189","","","","","","1.033","","","","has coordinates,has disorder","257831","2020-10-21","18:00:00",""
"7059810","11.3525","0.0009","13.6312","0.0008","12.5586","0.0008","90","","116.102","0.009","90","","1745.2","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis((mu-N''-(2-oxybenzylidene)-N'''-(3-pyridyl)carbonohydrazido))-tetraoxo-di-molybdenum(vi) acetonitrile solvate","","- C32 H28 Mo2 N12 O8 -","- C32 H28 Mo2 N12 O8 -","- C64 H56 Mo4 N24 O16 -","2","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1846","0.0793","","","0.0857","0.1123","","","","","","0.954","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059813","11.1124","0.0005","5.2113","0.0002","13.3792","0.0006","90","","93.648","0.002","90","","773.22","0.06","273.15","","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-hydroxy-1,4-bis(4-methoxyphenyl)butan-1-one","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Jiménez-Cruz, Juan C.; Guzmán-Mejía, Ramón; Juaristi, Eusebio; Sánchez-Antonio, Omar; García-Revilla, Marco A.; González-Campos, J. Betzabe; Aviña-Verduzco, Judit","Preparation of aromatic γ-hydroxyketones by means of Heck coupling of aryl halides and 2,3-dihydrofuran, catalyzed by a palladium(ii) glycine complex under microwave irradiation","New Journal of Chemistry","2020","44","31","13382","13392","10.1039/D0NJ02630A","","x-ray","1.54178","CuKα","","0.0584","0.0511","","","0.1337","0.1434","","","","","","1.069","","","","has coordinates","257830","2020-10-21","18:00:00",""
"7059818","11.3758","0.0008","20.6667","0.0011","18.5033","0.001","90","","95.408","0.006","90","","4330.8","0.5","132","4","132","4","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H120 Cl3 Cu8 Er N16 O43 -","- C33 H120 Cl3 Cu8 Er N16 O43 -","- C66 H240 Cl6 Cu16 Er2 N32 O86 -","2","1","","Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min","3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior","New Journal of Chemistry","2020","44","33","14145","14150","10.1039/D0NJ00292E","","","1.54178","CuKα","","0.1326","0.1126","","","0.3232","0.3464","","","","","","1.28","","","","has coordinates,has disorder","257703","2020-10-21","18:00:00",""
"7059819","11.3776","0.0003","20.663","0.0006","18.5","0.0005","90","","95.659","0.003","90","","4328.1","0.2","130","11","130","11","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H120 Cl3 Cu8 N16 O43 Yb -","- C33 H120 Cl3 Cu8 N16 O43 Yb -","- C66 H240 Cl6 Cu16 N32 O86 Yb2 -","2","1","","Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min","3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior","New Journal of Chemistry","2020","44","33","14145","14150","10.1039/D0NJ00292E","","","1.54178","CuKα","","0.1218","0.1161","","","0.2948","0.3049","","","","","","1.397","","","","has coordinates,has disorder","257703","2020-10-21","18:00:00",""
"7059826","13.1174","0.0016","21.497","0.003","18.729","0.003","90","","90.249","0.006","90","","5281.2","1.3","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H148 Cl4 O8 S4 -","- C106 H148 Cl4 O8 S4 -","- C212 H296 Cl8 O16 S8 -","2","1","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","1.54178","CuKα","","0.0604","0.0582","","0.1448","0.1417","0.1448","","","","","","1.0098","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059881","8.7348","0.0002","19.3206","0.0004","10.6426","0.0002","90","","96.473","0.002","90","","1784.61","0.06","99","3","99","3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 P2 Ru -","- C42 H48 P2 Ru -","- C84 H96 P4 Ru2 -","2","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","0.71073","MoKα","","0.0504","0.0371","","","0.0599","0.0655","","","","","","1.084","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059911","10.0943","0.0007","16.7406","0.001","18.719","0.0012","90","","91.772","0.006","90","","3161.7","0.4","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H102 N6 O7 -","- C62 H102 N6 O7 -","- C124 H204 N12 O14 -","2","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1075","0.0652","","","0.1625","0.1991","","","","","","1.017","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059938","15.965","0.005","12.533","0.005","20.132","0.005","90","0.005","111.862","0.005","90","0.005","3739","2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H60 Co2 N4 O4 -","- C76 H60 Co2 N4 O4 -","- C152 H120 Co4 N8 O8 -","2","1","","Filkale, Adelew Estifanos; Pathak, Chandni","Dinuclear cobalt complexes supported by biphenol and binaphthol-derived bis(salicylaldimine) ligands: synthesis, characterization and catalytic application in β-enaminone synthesis from 1,3-dicarbonyl compounds and aliphatic amines","New Journal of Chemistry","2020","44","35","15109","15121","10.1039/D0NJ00052C","","","0.71073","MoKα","","0.0961","0.0905","","","0.2475","0.2583","","","","","","1.081","","","","has coordinates","258927","2020-11-06","12:49:17",""
"7059950","5.8152","0.0007","19.93","0.003","9.4998","0.0012","90","","102.749","0.002","90","","1073.9","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C40 H44 Cu4 N4 O20 -","4","2","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0226","0.0211","","","0.0473","0.0478","","","","","","1.005","","","","has coordinates","258937","2020-11-06","12:51:12",""
"7059952","7.3484","0.001","14.6316","0.0019","16.822","0.002","90","","99.035","0.002","90","","1786.2","0.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","CuPDB","","- C35 H40 Cu2 N2 O12 -","- C35 H40 Cu2 N2 O12 -","- C70 H80 Cu4 N4 O24 -","2","1","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0343","0.0296","","","0.0653","0.0671","","","","","","0.976","","","","has coordinates","258937","2020-11-06","12:51:13",""
"7059953","5.9103","0.0002","7.481","0.0002","23.4895","0.0008","90","","92.482","0.001","90","","1037.61","0.06","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Fe N O -","- C12 H13 Fe N O -","- C48 H52 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0365","0.0351","","","0.0891","0.0902","","","","","","1.065","","","","has coordinates","258891","2020-11-06","12:41:44",""
"7059970","8.9424","0.0005","9.3918","0.0006","18.8587","0.0012","90","","94.385","0.002","90","","1579.22","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Fe N O2 -","- C19 H19 Fe N O2 -","- C76 H76 Fe4 N4 O8 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0848","0.0804","","","0.1996","0.2027","","","","","","1.04","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059971","8.8495","0.0002","5.0583","0.0001","16.2521","0.0003","90","","102.686","0.002","90","","709.74","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0417","0.0396","","","0.0962","0.0972","","","","","","1.095","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059972","4.98087","0.00004","14.0357","0.00014","11.32877","0.00011","90","","94.4463","0.0008","90","","789.611","0.013","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 N3 O3 -","- C19 H13 N3 O3 -","- C38 H26 N6 O6 -","2","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0785","0.0791","","","","","","1.064","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7060136","6.82","0.002","6.612","0.003","14.279","0.006","90","","91.88","0.04","90","","643.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N6 O5 -","- C11 H14 N6 O5 -","- C22 H28 N12 O10 -","2","1","","Rungta, Pallavi; Kumar, Manish; Mangla, Priyanka; Kumar, Sandeep; Prasad, Ashok K.","Chemo-enzymatic access to C-4′-hydroxyl-tetrahydrofurano-spironucleosides","New Journal of Chemistry","2021","45","3","1609","1616","10.1039/D0NJ03253K","","","0.71073","MoKα","","0.1788","0.0822","","","0.154","0.2046","","","","","","0.983","","","","has coordinates","261745","2021-02-04","23:28:29",""
"7060163","9.9266","0.0002","12.2058","0.0003","18.2152","0.0005","90","","90.298","0.002","90","","2206.96","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N4 Pd S -","- C22 H23 Cl N4 Pd S -","- C88 H92 Cl4 N16 Pd4 S4 -","4","2","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","","0.71073","MoKα","","0.0333","0.0298","","","0.0599","0.0619","","","","","","1.052","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060177","8.6073","0.0004","8.4846","0.0004","34.8953","0.0014","90","","96.014","0.004","90","","2534.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 N6 O14 -","- C60 H48 N6 O14 -","- C120 H96 N12 O28 -","2","1","","Liu, Lixin; Liu, Moqi; Zhang, Yunan; Yin, Hemei; Su, Xin; Zhang, Qiang; Feng, Yanru; Guo, Yingxue; Zou, Dongyu; Liu, Yingli","The role of 3-OH in the self-assembly of pharmaceutical cocrystals of dihydroflavonol with 4,4′-bipyridine","New Journal of Chemistry","2021","45","3","1626","1633","10.1039/D0NJ04113K","","","0.71073","MoKα","","0.0901","0.0565","","","0.1161","0.1304","","","","","","1.041","","","","has coordinates,has disorder","261752","2021-02-04","23:29:25",""
"7060202","9.541","0.0016","5.0337","0.0009","21.921","0.004","90","","99.137","0.005","90","","1039.4","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","NMePhCHO_TFA","4-phenylethynyl-5-(4-formylphenylethynyl)-1-methylimidazolium trifluoroacetate","","- C23 H15 F3 N2 O3 -","- C23 H15 F3 N2 O3 -","- C46 H30 F6 N4 O6 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.082","0.0573","","","0.1529","0.1783","","","","","","0.997","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060238","12.1261","0.0011","5.3231","0.0005","15.7434","0.0014","90","","99.951","0.006","90","","1000.92","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F7 N O4 S -","- C20 H14 F7 N O4 S -","- C40 H28 F14 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.1333","0.0919","","","0.2438","0.2739","","","","","","1.069","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060239","12.8242","0.0018","5.186","0.0007","14.912","0.002","90","","99.717","0.018","90","","977.5","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl F6 N O4 S -","- C20 H14 Cl F6 N O4 S -","- C40 H28 Cl2 F12 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.79313","synchrotron","","0.0928","0.091","","","0.2213","0.2223","","","","","","1.057","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060240","13.111","0.003","5.176","0.001","14.827","0.003","90","","99.291","0.01","90","","993","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H14 Br F6 N O4 S -","- C20 H14 Br F6 N O4 S -","- C40 H28 Br2 F12 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.79313","synchrotron","","0.0597","0.0557","","","0.1282","0.1312","","","","","","1.048","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060429","11.1106","0.0006","11.3667","0.0006","23.4788","0.0013","90","","90.116","0.004","90","","2965.2","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H23.5 N1.5 S0.5 -","- C16.5 H23.5 N1.5 S0.5 -","- C132 H188 N12 S4 -","8","4","","Alnufaie, Rawan; Ali, Mohamad Akbar; Alkhaibari, Ibrahim S.; Roy, Subrata; Day, Victor W.; Alam, Mohammad A.","Benign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.","New journal of chemistry = Nouveau journal de chimie","2021","45","13","6001","6017","10.1039/D1NJ00380A","","","1.54178","CuKα","","0.0694","0.0563","","","0.1313","0.1422","","","","","","1.057","","","","has coordinates","264924","2021-05-05","08:55:22",""
"7060470","5.9378","0.0004","7.3721","0.0007","15.3569","0.0012","90","","96.417","0.007","90","","668.02","0.09","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.1051","0.0855","","","0.2365","0.2602","","","","","","1.101","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060472","4.2178","0.0002","16.5839","0.0006","10.27","0.0004","90","","93.821","0.004","90","","716.76","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C32 H28 Cl2 N2 O8 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0418","0.0391","","","0.1024","0.1061","","","","","","1.077","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060516","9.3658","0.0008","10.3049","0.0009","17.1465","0.0014","90","","95.426","0.003","90","","1647.5","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N4 O4 S -","- C38 H36 N4 O4 S -","- C76 H72 N8 O8 S2 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0998","0.0497","","","0.096","0.1106","","","","","","1.019","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060592","10.0578","0.0009","7.1899","0.0006","13.1297","0.0009","90","","102.178","0.001","90","","928.1","0.13","295","2","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C38 H36 N8 O6 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54186","CuKα","","0.1452","0.0843","","","0.1316","0.1846","","","","","","0.891","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060620","4.9091","0.0009","6.622","0.0008","8.103","0.002","90","","99.75","0.02","90","","259.61","0.09","112","2","112","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-cyclopropyl-5H-tetrazole","1-cyclopropyl-5H-tetrazole","","- C4 H6 N4 -","- C4 H6 N4 -","- C8 H12 N8 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0579","0.0434","","","0.0831","0.0941","","","","","","1.102","","","","has coordinates","267220","2021-07-05","18:05:55",""
"7060701","3.668","0.003","12.731","0.009","10.435","0.007","90","","90.672","0.008","90","","487.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H13 N11 O2 -","- C4 H11 N11 O2 -","- C8 H22 N22 O4 -","2","1","","Yin, Zhaoyang; Dong, Yaqun; Zeng, Zhiwei; Huang, Wei; Tang, Yongxing","Crystal Structures and Properties of High-nitrogen Energetic Salts Based on (Z)-1,1-diamino-2-nitro-2-(1H-tetrazol-5-yl)ethene","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01751A","","","0.71073","MoKα","","0.0623","0.0473","","","0.101","0.1071","","","","","","1.015","","","","has coordinates","265573","2021-05-28","03:30:29",""
"7060709","10.2904","0.0005","21.3262","0.0009","15.8441","0.0007","90","","93.987","0.002","90","","3468.7","0.3","273","2","273.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68.71 H75.43 Br2 Cu4 N4 O14 -","- C68.712 H75.424 Br2 Cu4 N4 O14 -","- C137.424 H150.848 Br4 Cu8 N8 O28 -","2","1","","Liu, Meiying; Liang, Jingjing; Liu, Zhiliang","Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters","New Journal of Chemistry","2021","45","27","12091","12096","10.1039/D1NJ01894A","","","0.71073","MoKα","","0.0408","0.0307","","","0.0681","0.0723","","","","","","1.072","","","","has coordinates,has disorder","268851","2021-09-06","11:59:55",""
"7060710","10.4998","0.0019","25.108","0.005","15.766","0.003","90","","109.173","0.005","90","","3925.8","1.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H76 Cl2 Cu4 N4 O14 -","- C70 H76 Cl2 Cu4 N4 O14 -","- C140 H152 Cl4 Cu8 N8 O28 -","2","1","","Liu, Meiying; Liang, Jingjing; Liu, Zhiliang","Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters","New Journal of Chemistry","2021","45","27","12091","12096","10.1039/D1NJ01894A","","","0.71073","MoKα","","0.1177","0.1099","","","0.2856","0.2966","","","","","","1.067","","","","has coordinates","268851","2021-09-06","11:59:56",""
"7060725","10.4557","0.0003","15.3711","0.0004","13.4947","0.0003","90","","92.266","0.001","90","","2167.11","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 Ge N O -","- C24 H35 Ge N O -","- C96 H140 Ge4 N4 O4 -","4","2","","Arsenyeva, Kseniya Vital'evna; Pashanova, Kira Igorevna; Trofimova, Olesya Yur'evna; Ershova, Irina V.; Chegerev, Maxim G.; Starikova, Alyona A.; Cherkasov, Anton Vladimirovich; Syroeshkin, Mikhail A.; Kozmenkova, Anna Ya.; Piskunov, Alexandr Vladimirovich","O,N-HETEROCYCLIC GERMYLENES AS EFFICIENT CATALYSTS FOR HYDROBORATION AND CYANOSILYLATION OF BENZALDEHYDE","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01644J","","","0.71073","MoKα","","0.0291","0.0278","","","0.0701","0.0709","","","","","","1.03","","","","has coordinates","266389","2021-06-11","03:40:22",""
"7060726","13.5003","0.0008","4.557","0.0003","23.5269","0.0017","90","","102.166","0.007","90","","1414.89","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H34 O5 S -","- C33 H34 O5 S -","- C66 H68 O10 S2 -","2","1","","Iwakura, Izumi; Hashimoto, Sena; Okamura, Kotaro; Komori-Orisaku, Keiko; Akai, Shoji; Yabushita, Atsushi","Crystallization of highly soluble thioglucopyranoside ejected by coherent molecular vibrational excitation using a visible 10 fs pulsed laser","New Journal of Chemistry","2021","45","28","12346","12350","10.1039/D1NJ01429C","","","0.71075","MoKα","","0.0783","0.059","","","0.1393","0.1498","","","","","","1.06","","","","has coordinates","268840","2021-09-06","11:58:31",""
"7060803","8.7282","0.0002","8.6664","0.0001","14.9347","0.0003","90","","96.234","0.001","90","","1123.01","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C56 H56 O8 -","2","1","","Kalník, Martin; Zajičková, Mária; Kóňa, Juraj; Šesták, Sergej; Moncoľ, Ján; Koóš, Miroslav; Bella, Maroš","Synthesis of hydroxymethyl analogues of mannostatin A and their evaluation as inhibitors of GH38 α-mannosidases","New Journal of Chemistry","2021","45","30","13539","13548","10.1039/D1NJ02351A","","","1.54186","CuKα","","0.0253","0.025","","","0.0627","0.0629","","","","","","1.086","","","","has coordinates","268884","2021-09-06","12:08:24",""
"7060855","10.26472","0.00019","9.99397","0.00019","10.8624","0.0002","90","","92.0775","0.0017","90","","1113.59","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O11 -","- C19 H27 N O11 -","- C38 H54 N2 O22 -","2","1","","Sosa-Gil, Concepción; Babiano, Reyes; Cintas, Pedro; Light, Mark E.; Palacios, Juan C.","On the anomeric preference of the isothiocyanato group","New Journal of Chemistry","2021","45","31","14111","14125","10.1039/D1NJ00852H","","x-ray","0.71073","MoKα","K-L~3~","0.0316","0.03","","","0.0758","0.0769","","","","","","1.026","","","","has coordinates,has disorder","268897","2021-09-06","12:14:44",""
"7060866","6.5826","0.0002","9.0483","0.0001","16.3477","0.0004","90","","98.638","0.002","90","","962.65","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O6 -","- C20 H29 N O6 -","- C40 H58 N2 O12 -","2","1","","Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam","Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework","New Journal of Chemistry","2021","45","35","15956","15967","10.1039/D1NJ02180J","","","1.54186","CuKα","","0.0903","0.0893","","","0.2453","0.2477","","","","","","1.165","","","","has coordinates","269753","2021-10-06","16:03:10",""
"7060872","11.528","0.0001","7.7855","0.0001","15.4344","0.0002","90","","92.997","0.001","90","","1383.36","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Br N S2 -","- C13 H12 Br N S2 -","- C52 H48 Br4 N4 S8 -","4","2","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.093","0.0941","","","","","","1.037","","","","has coordinates,has disorder","269752","2021-10-06","16:03:03",""
"7060910","4.8515","0.0002","21.804","0.0012","11.5794","0.0005","90","","91.942","0.004","90","","1224.19","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H19 Cl3 N2 O -","- C30 H19 Cl3 N2 O -","- C60 H38 Cl6 N4 O2 -","2","1","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.084","0.0694","","","0.1904","0.2025","","","","","","1.06","","","","has coordinates,has disorder","269741","2021-10-06","16:00:31",""
"7060938","7.0766","0.0002","12.4355","0.0003","8.0835","0.0004","90","","90.355","0.004","90","","711.34","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H9 Au2 Cl3 N4 S -","- C8 H9 Au2 Cl3 N4 S -","- C16 H18 Au4 Cl6 N8 S2 -","2","1","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","","0.71073","MoKα","","0.0789","0.0581","","","0.1311","0.1446","","","","","","1","","","","has coordinates","270485","2021-11-06","20:32:03",""
"7060966","11.3916","0.00013","5.69116","0.00006","12.43561","0.00014","90","","102.195","0.0011","90","","788.027","0.015","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cu N2 O7 -","- C14 H22 Cu N2 O7 -","- C28 H44 Cu2 N4 O14 -","2","1","","Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua","How the magnetic field impacts the chiroptical activities of helical copper enantiomers","New Journal of Chemistry","2021","45","42","20021","20027","10.1039/D1NJ03803F","","","1.54184","CuKα","","0.0215","0.0214","","","0.0561","0.0561","","","","","","1.021","","","","has coordinates","270477","2021-11-06","20:30:43",""
"7060967","11.386","0.0002","5.6909","0.0001","12.4062","0.0002","90","","102.327","0.002","90","","785.35","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cu N2 O7 -","- C14 H22 Cu N2 O7 -","- C28 H44 Cu2 N4 O14 -","2","1","","Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua","How the magnetic field impacts the chiroptical activities of helical copper enantiomers","New Journal of Chemistry","2021","45","42","20021","20027","10.1039/D1NJ03803F","","","1.54184","CuKα","","0.0229","0.0227","","","0.0587","0.0591","","","","","","1.041","","","","has coordinates","270477","2021-11-06","20:30:43",""
"7061017","9.6415","0.0007","9.7108","0.0008","11.1357","0.0009","90","","97.262","0.001","90","","1034.24","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0962","0.0619","","","0.1572","0.1804","","","","","","1.034","","","","has coordinates","271187","2021-12-07","03:38:19",""
"7061018","9.5094","0.0005","18.3294","0.0009","12.3185","0.0006","90","","96.75","0.001","90","","2132.25","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","2","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.063","0.0447","","","0.1055","0.1155","","","","","","1.013","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061038","11.6334","0.0006","6.6182","0.0004","16.7064","0.0009","90","","91.462","0.005","90","","1285.84","0.12","150","","150","","","","100","","","","","5","P 1 21 1","P 2yb","4","(3R,4'S,5'S)-1-benzyl-4'-(naphthalen-2-yl)-2-oxo-5'-(trifluoromethyl)spiro[indoline-3,2'-pyrrolidine]-3',3'-dicarbonitrile","3d","","- C31 H21 F3 N4 O -","- C31 H21 F3 N4 O -","- C62 H42 F6 N8 O2 -","2","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.116","0.1081","","0.3538","0.3428","0.3538","","","","","","1.6196","","","","has coordinates,has disorder","271855","2022-01-06","21:46:22",""
"7061070","11.0788","0.0017","7.5785","0.0011","11.6867","0.0018","90","","118.618","0.005","90","","861.3","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.1232","0.0835","","","0.1915","0.2176","","","","","","1.07","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061072","11.2823","0.0003","7.3708","0.0002","11.7289","0.0003","90","","118.393","0.001","90","","858.04","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.028","0.0266","","","0.0705","0.0717","","","","","","1.046","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061073","11.4383","0.0009","10.9604","0.0014","14.2059","0.0013","90","","98.636","0.004","90","","1760.8","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl N -","- C18 H30 Cl N -","- C72 H120 Cl4 N4 -","4","2","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0891","0.0533","","","0.0962","0.1121","","","","","","0.989","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061108","9.684","","7.971","","10.899","","90","","108.39","","90","","798.342","","290","","290","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C34 H42 N6 O4 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.115","0.0568","","","0.1202","0.1419","","","","","","1","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061119","9.6424","0.0005","8.0087","0.0003","10.9078","0.0005","90","","109.047","0.002","90","","796.22","0.06","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 O2 S -","- C16 H19 N3 O2 S -","- C32 H38 N6 O4 S2 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0659","0.055","","","0.1151","0.1197","","","","","","1.139","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061187","9.474","0.0007","14.0726","0.001","11.5916","0.0008","90","","103.893","0.005","90","","1500.23","0.19","229","2","229","2","","","","","","","","3","P 1 21 1","P 2yb","4","HQT3","Tripterester C","","- C30 H38 O13 -","- C30 H38 O13 -","- C60 H76 O26 -","2","1","","Zhou, Le; Bai, Ming; He, Qing-Jun; Hou, Zi-Lin; Lu, Li-Wei; Wang, Jie; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Nine new dihydro-β-agarofuran sesquiterpene polyesters from the leaves of Tripterygium wilfordii","New Journal of Chemistry","2022","46","5","2423","2430","10.1039/D1NJ03800A","","","1.54178","CuKα","","0.0409","0.0388","","","0.0997","0.1025","","","","","","1.048","","","","has coordinates","272714","2022-02-04","19:53:24",""
"7061192","7.1376","0.0014","17.029","0.003","7.6232","0.0015","90","","111.38","0.03","90","","862.8","0.3","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H2 K2 N8 O2 -","- C3 H2 K2 N8 O2 -","- C12 H8 K8 N32 O8 -","4","2","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.03","0.029","","","0.0641","0.0675","","","","","","1.076","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061203","5.572","0.002","18.599","0.007","18.753","0.008","90","","92.336","0.008","90","","1941.8","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C78 H96 O24 S6 -","6","3","","Kumar, Harikesh; Dubey, Atul; Prajapati, Gurudayal; Kant, Ruchir; Ampapathi, Ravi S.; Mandal, Pintu Kumar","Regioselective direct sulfenylation of glycals using arylsulfonyl chlorides in the presence of triphenylphosphine: access to C2-thioaryl glycosides","New Journal of Chemistry","2022","46","7","3426","3430","10.1039/D1NJ05228D","","","0.71075","MoKα","","0.1361","0.0713","","","0.1476","0.1719","","","","","","0.919","","","","has coordinates","273394","2022-03-04","22:20:08",""
"7061377","7.2036","0.0005","7.0213","0.0005","8.3381","0.0005","90","","104.364","0.002","90","","408.55","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N4 O7 -","- C5 H6 N4 O7 -","- C10 H12 N8 O14 -","2","1","","Wang, Qian; Lu, Ming","Carbon skeleton: route to investigate high-performance insensitive energetic materials","New Journal of Chemistry","2022","46","14","6690","6693","10.1039/D1NJ05168G","","","0.71073","MoKα","","0.0342","0.03","","","0.0777","0.0799","","","","","","1.081","","","","has coordinates","275027","2022-05-05","20:46:24",""
"7061383","7.5986","0.0013","6.1021","0.001","14.11","0.002","90","","96.293","0.006","90","","650.3","0.18","100.15","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H15 N -","- C19 H15 N -","- C38 H30 N2 -","2","1","","Sarkar, Rumpa; Samanta, Surya Kanta; Hasija, Avantika; Chopra, Deepak; Ganguly, Debabani; Bera, Mrinal K.","A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration","New Journal of Chemistry","2022","46","15","7168","7176","10.1039/D1NJ05196B","","","0.71073","MoKα","","0.1294","0.0636","","","0.0901","0.1074","","","","","","1.032","","","","has coordinates,has disorder","275034","2022-05-05","20:47:34",""
"7061458","10.981","0.006","7.258","0.003","14.162","0.008","90","","94.073","0.012","90","","1125.9","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 O5 S -","- C25 H32 O5 S -","- C50 H64 O10 S2 -","2","1","","Tamang, Nitesh; Andrews, Christopher; Mavileti, Sai Kiran; Nanduri, Srinivas; Golakoti, Nageswara Rao; Karanam, Balasubramanyam","Anti-cancer activity of heteroaromatic acetals of andrographolide and its isomers","New Journal of Chemistry","2022","46","20","9745","9754","10.1039/D2NJ01055K","","","0.71073","MoKα","","0.0372","0.0314","","","0.0765","0.0796","","","","","","1.057","","","","has coordinates","275796","2022-06-06","01:53:39",""
"7061555","10.9511","0.0008","7.5328","0.0006","12.7907","0.0009","90","","99.332","0.003","90","","1041.17","0.13","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","2","","Wang, Yu; Xu, Yaoyao; Khan, Shahid; Zhang, Zhunjie; Khan, Ajmal","Selective approach to N-substituted tertiary 2-pyridones","New Journal of Chemistry","2022","46","23","11138","11142","10.1039/D2NJ01065H","","x-ray","0.71073","MoKα","","0.0677","0.0489","","","0.1116","0.1234","","","","","","1.042","","","","has coordinates,has disorder","276666","2022-07-06","08:28:45",""
"7061594","7.1138","0.0005","19.271","0.0009","7.405","0.0005","90","","117.245","0.003","90","","902.53","0.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Fe2 O4 S -","- C20 H14 Fe2 O4 S -","- C40 H28 Fe4 O8 S2 -","2","1","","Matczak, Piotr; Kupfer, Stephan; Mlostoń, Grzegorz; Buday, Philipp; Görls, Helmar; Weigand, Wolfgang","Metal–ligand bonding in tricarbonyliron(0) complexes bearing thiochalcone ligands","New Journal of Chemistry","2022","46","27","12924","12933","10.1039/D2NJ01315K","","","0.71073","MoKα","","0.0242","0.0233","","","0.0499","0.0507","","","","","","1.052","","","","has coordinates,has disorder","277127","2022-08-06","11:56:52",""
"7061596","5.257","0.0008","13.741","0.002","13.614","0.002","90","","94.765","0.004","90","","980","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C40 H40 N4 O8 S2 -","2","1","","Sahu, Archana Kumari; Biswas, Subhamoy; Bora, Surjya Kumar; Saikia, Anil K.","Synthesis of 3C-alkylated active methylene substituted 2H-indazole derivatives via sequential ring opening of donor–acceptor cyclopropanes and reductive cyclization reaction","New Journal of Chemistry","2022","46","26","12456","12460","10.1039/D2NJ01801B","","","0.71073","MoKα","","0.1055","0.0892","","","0.1953","0.2045","","","","","","1.318","","","","has coordinates","276633","2022-07-06","08:18:13",""
"7061690","9.8387","0.0014","6.5947","0.0007","14.4796","0.0019","90","","92.018","0.005","90","","938.9","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","trimethylbenzilammonium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","trimethylbenzilammonium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","","- C16 H16 Br N7 Se -","- C16 H16 Br N7 Se -","- C32 H32 Br2 N14 Se2 -","2","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.056","0.0309","","","0.0626","0.0691","","","","","","1.034","","","","has coordinates","277034","2022-08-02","00:24:13",""
"7061752","14.8669","0.0006","22.8072","0.001","16.0694","0.0006","90","","116.675","0.001","90","","4868.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C91 H121 N13 Ni4 O32 -","- C91 H121 N13 Ni4 O32 -","- C182 H242 N26 Ni8 O64 -","2","1","","Mahish, Manas Kumar; Carrella, Luca M.; Patra, Apu; Saren, Dama; Zangrando, Ennio; Vojtíšek, Pavel; Rentschler, Eva; Manna, Subal Chandra","Tryptophan moiety ligand based tri/tetranuclear Ni(ii) complexes: syntheses, structure and magnetic properties","New Journal of Chemistry","2022","46","35","16899","16906","10.1039/D2NJ02467E","","","0.71073","MoKα","","0.0329","0.0295","","","0.0707","0.0727","","","","","","1.044","","","","has coordinates,has disorder","278468","2022-10-07","01:15:22",""
"7061769","11.4954","0.0007","20.8647","0.0013","13.5984","0.0009","90","","110.359","0.001","90","","3057.8","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H72 O26 -","- C68 H72 O26 -","- C136 H144 O52 -","2","1","","Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Tsunoda, Tetsuto; Kaku, Hiroto","Base-induced isomerization of red uroleuconaphins revisited: characterization and absolute stereochemistry of the yellow aphid pigments uroleuconaphins A2 and B2","New Journal of Chemistry","2022","46","34","16256","16259","10.1039/D2NJ02676G","","","0.71073","MoKα","","0.0475","0.0388","","","0.0915","0.0961","","","","","","1.025","","","","has coordinates","288178","2023-12-08","09:51:08",""
"7061777","7.4419","0.0007","11.3693","0.0011","14.9985","0.0014","90","","93.505","0.007","90","","1266.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Sun, Haoyi; Zhao, Tingting; Liu, Lei; Mu, Xiaodong; Sun, Jingyong","Six new triterpenoids with anti-inflammatory activity from Gypsophila oldhamiana","New Journal of Chemistry","2022","46","37","17834","17840","10.1039/D2NJ02906E","","","1.54178","CuKα","","0.1795","0.1099","","","0.2523","0.3047","","","","","","1.002","","","","has coordinates","278436","2022-10-07","01:04:17",""
"7061910","4.26356","0.00016","5.3334","0.0002","15.8471","0.0006","90","","93.394","0.004","90","","359.72","0.02","157","30","157","30","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 Br N3 O2 -","- C5 H4 Br N3 O2 -","- C10 H8 Br2 N6 O4 -","2","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0586","0.0573","","","0.1671","0.1682","","","","","","1.168","","","","has coordinates","279014","2022-11-07","05:40:55",""
"7061933","10.3484","0.0008","13.2912","0.001","11.8953","0.0009","90","","101.676","0.003","90","","1602.3","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H40 Fe O P2 Se2 -","- C35 H40 Fe O P2 Se2 -","- C70 H80 Fe2 O2 P4 Se4 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0214","0.0192","","","0.0424","0.043","","","","","","1.026","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7062034","6.197","0.0011","9.8989","0.0013","12.9485","0.0019","90","","102.482","0.019","90","","775.5","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-trifluoromethyl-4,5-epoxycaryophyllan-8-ol","","","- C15 H23 F3 O2 -","- C15 H23 F3 O2 -","- C30 H46 F6 O4 -","2","1","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.129","0.0717","","","0.1655","0.2341","","","","","","1.004","","","","has coordinates","280206","2023-01-06","09:55:31",""
"7062049","15.8359","0.0004","8.6724","0.0002","20.5944","0.0005","90","","95.268","0.002","90","","2816.39","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","MR524","","","- C34 H36 N2 O6 -","- C34 H36 N2 O6 -","- C136 H144 N8 O24 -","4","2","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.0627","0.0511","","","0.1276","0.1355","","","","","","1.062","","","","has coordinates","280218","2023-01-06","09:58:29",""
"7062052","14.1062","0.0003","25.2825","0.0007","24.5285","0.0008","90","","91.98","0.003","90","","8742.6","0.4","250","0.1","250","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","SS-TBDR34C6 . BlueBox . 4PF6","(2S,4aR,5S,6aS,22S,25aS,26S)-dodecahydro-1H,6H-2,8-(epoxyethanooxyethanooxy[1,5]naphthalenooxyethanooxyethanooxy)-5,11-ethanodibenzo[b,f][1,5]diazocine.1,2,7(4,1),6(1,4)-tetrapyridin-1-iuma-4,9(1,4)-dibenzenacyclodecaphane-11,21,61,71-tetraium.tetrakis hexafluorophosphate","","- C70 H69 F24 N6 O6 P4 -","- C70 H69 F24 N6 O6 P4 -","- C280 H276 F96 N24 O24 P16 -","4","2","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.1463","0.1291","","","0.3292","0.346","","","","","","1.256","","","","has coordinates","280218","2023-01-06","09:58:29",""
"7062074","12.2949","0.0003","9.7","0.0002","14.6302","0.0003","90","","110.841","0.001","90","","1630.65","0.06","100","2","100","2","","","","","","","Ypsilandra thibetica Franch","3","P 1 21 1","P 2yb","4","","(23R,24S)-5α-cholest-16β,23:18,23-diepoxy-3β,24-diol-6-one-24-O-β-D-fucopyranoside","","- C34 H56 O10 -","- C34 H56 O10 -","- C68 H112 O20 -","2","1","","Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang","Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica","New Journal of Chemistry","2023","47","1","324","332","10.1039/D2NJ04576A","","","1.54178","CuKα","","0.028","0.0279","","","0.0702","0.0703","","","","","","1.046","","","","has coordinates","281493","2023-03-04","18:28:28",""
"7062076","12.0479","0.0003","7.6358","0.0002","17.988","0.0005","90","","94.955","0.001","90","","1648.63","0.08","100","2","100","2","","","","","","","Ypsilandra thibetica Franch","3","P 1 21 1","P 2yb","4","18-hydroxylypsilanogenin","(23R,24S)-5α-cholest-16β,23-epoxy-23,24-(β-D-fucopyranose-2,1-di-O-yl)-3β,18-diol-6-one","","- C34 H58 O11 -","- C34 H58 O11 -","- C68 H116 O22 -","2","1","","Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang","Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica","New Journal of Chemistry","2023","47","1","324","332","10.1039/D2NJ04576A","","","1.54178","CuKα","","0.0289","0.0285","","","0.0726","0.0731","","","","","","1.056","","","","has coordinates","281493","2023-03-04","18:28:28",""
"7062077","9.7773","0.0012","12.516","0.0014","16.6131","0.0019","90","","105.096","0.002","90","","1962.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 Br4 Mn P2 -","- C38 H36 Br4 Mn P2 -","- C76 H72 Br8 Mn2 P4 -","2","1","","Wu, Yu-Li; Hou, Guo-Liang; Cui, Hai-Xia; Chen, Lei; Zhou, Hui-Di; Chen, Jian-Min","Development and mechanism of a fluorescent probe for a Mn(ii) ionic complex capable of recognizing chloroform vapor molecules","New Journal of Chemistry","2022","46","47","22509","22512","10.1039/D2NJ04869H","","","0.71073","MoKα","","0.069","0.0454","","","0.0908","0.0994","","","","","","0.998","","","","has coordinates","280200","2023-01-06","09:54:15",""
"7062080","9.681","0.005","26.421","0.005","12.241","0.005","90","","106.845","0.005","90","","2997","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","CUST-751","","- C49 H53 N15 O24 S2 Zn3 -","- C49 H40.25 N15 O19 S2 Zn3 -","- C98 H80.5 N30 O38 S4 Zn6 -","2","1","","Li, Jun-Jun; Feng, Zhen-Jie; Wu, Xue-Song; Li, Ying; Wu, Di; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Two new transition metal–organic frameworks as multiresponsive fluorescence sensors for detecting Fe3+, Cr2O72− and TNP","New Journal of Chemistry","2022","46","47","22739","22745","10.1039/D2NJ03746G","","","0.71069","MoKα","","0.0602","0.0524","","","0.122","0.1268","","","","","","1.037","","","","has coordinates,has disorder","280197","2023-01-06","09:53:55",""
"7062083","7.3553","0.0004","14.8367","0.0006","10.3066","0.0005","90","","110.81","0.05","90","","1051.4","0.4","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","iron bromopyridine pentacyanonitrosilferrates (II)","","- C15 Br2 Fe2 N8 O -","- C15 Br2 Fe2 N8 O -","- C30 Br4 Fe4 N16 O2 -","2","1","","Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment","New Journal of Chemistry","2023","47","1","238","249","10.1039/D2NJ05141A","","","","","","","","","","","","","","","","","","","","","has coordinates","281497","2023-03-04","18:29:00",""
"7062084","7.3377","0.0005","14.8736","0.0007","10.2039","0.0005","90","","110.55","0.03","90","","1042.8","0.2","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","iron cloropyridine pentacyanonitrosilferrates (II)","","- C15 Cl2 Fe2 N8 O -","- C15 Cl2 Fe2 N8 O -","- C30 Cl4 Fe4 N16 O2 -","2","1","","Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment","New Journal of Chemistry","2023","47","1","238","249","10.1039/D2NJ05141A","","","","","","","","","","","","","","","","","","","","","has coordinates","281497","2023-03-04","18:29:01",""
"7062085","7.3881","0.0007","14.7798","0.0006","10.5338","0.0007","90","","110.4","0.05","90","","1078.1","0.4","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","iron 4-iodopyridine pentacyanonitrosilferrates (II)","","- C15 Fe2 I2 N8 O -","- C15 Fe2 I2 N8 O -","- C30 Fe4 I4 N16 O2 -","2","1","","Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment","New Journal of Chemistry","2023","47","1","238","249","10.1039/D2NJ05141A","","","","","","","","","","","","","","","","","","","","","has coordinates","281497","2023-03-04","18:29:01",""
"7062091","9.4483","0.0001","9.97","0.0001","9.7662","0.0002","90","","118.501","0.002","90","","808.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N0 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Chen, Li; Huang, Huangjiang; Luo, Benlong; Liu, Jinggong; Yang, Shuang; Fang, Xinqiang","Catalytic synthesis of seven-membered carbocycles via ring expansion of cyclic β-ketoesters","New Journal of Chemistry","2023","47","1","41","45","10.1039/D2NJ03473E","","","1.3405","GaKα","","0.0352","0.0335","","","0.0804","0.0813","","","","","","1.042","","","","has coordinates","281496","2023-03-04","18:28:54",""
"7062143","7.3069","0.0002","13.4268","0.0005","11.8686","0.0005","90","","101.066","0.0013","90","","1142.76","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 Se -","- C13 H9 F N2 Se -","- C52 H36 F4 N8 Se4 -","4","2","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0654","0.0506","","","0.0737","0.0804","","","","","","1.052","","","","has coordinates","281517","2023-03-04","18:32:31",""
"7062153","14.8459","0.0003","10.18035","0.00019","24.1751","0.0004","90","","90.0356","0.0018","90","","3653.74","0.12","100","0.6","100","0.6","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H48 Cl Cu N2 P2 -","- C40 H48 Cl Cu N2 P2 -","- C160 H192 Cl4 Cu4 N8 P8 -","4","2","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","x-ray","1.54184","CuKα","","0.0499","0.049","","","0.1205","0.1221","","","","","","1.066","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062154","10.2245","0.0005","18.4807","0.001","13.1184","0.0007","90","","110.303","0.002","90","","2324.8","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C53 H42 B Cl2 Cu F4 N2 P2 -","- C53 H42 B Cl2 Cu F4 N2 P2 -","- C106 H84 B2 Cl4 Cu2 F8 N4 P4 -","2","1","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0444","0.0361","","","0.0796","0.0846","","","","","","1.05","","","","has coordinates,has disorder","281514","2023-03-04","18:31:43",""
"7062207","11.8685","0.0005","7.18","0.0003","13.3562","0.0004","90","","102.954","0.004","90","","1109.19","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 N2 O5 S -","- C21 H30 N2 O5 S -","- C42 H60 N4 O10 S2 -","2","1","","Qi, Yue; Yin, Zhixiao; Wen, Xiangxiang; Wang, Chao; Zong, Lili","Permanganate oxidation of α,β-unsaturated carbonyls to vicinal tricarbonyls","New Journal of Chemistry","2023","47","7","3249","3254","10.1039/D2NJ05273C","","x-ray","1.54184","CuKα","","0.0381","0.034","","","0.0868","0.0892","","","","","","1.073","","","","has coordinates","281532","2023-03-04","18:35:05",""
"7062208","8.06669","0.00019","13.541","0.0003","11.9398","0.0002","90","","101.395","0.0019","90","","1278.49","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N20 O16 -","- C13 H16 N20 O16 -","- C26 H32 N40 O32 -","2","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0321","0.031","","","0.0821","0.0827","","","","","","1.085","","","","has coordinates","281516","2023-03-04","18:32:20",""
"7062234","13.6378","0.0007","17.7192","0.0009","17.8331","0.0009","90","","92.0637","0.0009","90","","4306.6","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H64 Bi2 K N2 O6 Rh2 -","- C37 H64 Bi2 K N2 O6 Rh2 -","- C148 H256 Bi8 K4 N8 O24 Rh8 -","4","2","","Liang, Zhibing; Lin, Lifang; Liang, Yuanwei; Wang, Yi","Capture of [Bi4]6− and [Bi3]5− anions by [Rh(L)]+ (L = COD) cations in the closo heteroatomic clusters {Bi4[Rh(L)]4}2− and {Bi3[Rh(L)]3}2−","New Journal of Chemistry","2023","47","8","3993","3998","10.1039/D2NJ05883A","","","0.71073","MoKα","","0.0499","0.0357","","","0.0652","0.0682","","","","","","1","","","","has coordinates,has disorder","281502","2023-03-04","18:30:03",""
"7062240","8.3998","0.0014","5.6694","0.0009","12.814","0.002","90","","106.089","0.006","90","","586.32","0.16","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","TJ-PhBF","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Jeong, Taejoo; Okanishi, Yusuke; Yotsui, Sora; Kim, In Su; Yoshimitsu, Takehiko","Organic redox cascade cyclization of 2-alkynylquinones by ascorbic acid in combination with a copper catalyst and its application to formal synthesis of liphagal","New Journal of Chemistry","2023","47","7","3425","3429","10.1039/D2NJ05724G","","","0.71073","MoKα","","0.0559","0.0429","","","0.0906","0.0957","","","","","","1.073","","","","has coordinates","281528","2023-03-04","18:34:21",""
"7062366","15.2693","0.0002","16.9532","0.0002","19.1955","0.0003","90","","106.015","0.002","90","","4776.16","0.12","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C99 H107 Cl2 F12 Fe2 N6 P6 Ru -","- C99 H107 Cl2 F12 Fe2 N6 P6 Ru -","- C198 H214 Cl4 F24 Fe4 N12 P12 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0608","0.0539","","","0.1368","0.1436","","","","","","1.029","","","","has coordinates","283411","2023-05-05","03:05:16",""
"7062367","15.273","0.0001","17.4784","0.0001","19.053","0.0001","90","","105.506","0.001","90","","4901.03","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C102 H114 F12 Fe2 N6 P6 Ru -","- C102 H114 F12 Fe2 N6 P6 Ru -","- C204 H228 F24 Fe4 N12 P12 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0521","0.0484","","","0.1242","0.1268","","","","","","1.028","","","","has coordinates,has disorder","283411","2023-05-05","03:05:16",""
"7062369","16.2245","0.0003","17.8873","0.0003","19.2837","0.0004","90","","109.935","0.002","90","","5261.04","0.18","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C104 H118 F12 Fe2 N6 P6 Ru -","- C104 H118 F12 Fe2 N6 P6 Ru -","- C208 H236 F24 Fe4 N12 P12 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0588","0.0563","","","0.1451","0.1467","","","","","","1.103","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062395","9.03801","0.00013","6.438","0.00009","13.5879","0.00018","90","","90.0399","0.0012","90","","790.635","0.019","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C42 H28 N4 O2 -","2","1","","Holakovský, Roman; Just, David; Eigner, Václav; Jakubec, Martin; Cuřínová, Petra","Binaphthalene-based cyclic homochiral ureas and their structure-related properties","New Journal of Chemistry","2023","47","18","8515","8523","10.1039/D2NJ06147C","","","1.54184","CuKα","","0.0294","0.028","","0.0782","0.0733","0.0782","","","","","","0.9855","","","","has coordinates","284306","2023-06-05","04:47:21",""
"7062396","9.8861","0.0006","15.6415","0.001","10.3461","0.0007","90","","105.983","0.0019","90","","1538.01","0.17","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H28 N4 O2 -","- C42 H28 N4 O2 -","- C84 H56 N8 O4 -","2","1","","Holakovský, Roman; Just, David; Eigner, Václav; Jakubec, Martin; Cuřínová, Petra","Binaphthalene-based cyclic homochiral ureas and their structure-related properties","New Journal of Chemistry","2023","47","18","8515","8523","10.1039/D2NJ06147C","","","1.54178","CuKα","","0.0311","0.0307","","0.0854","0.0849","0.0854","","","","","","1.0004","","","","has coordinates","284306","2023-06-05","04:47:22",""
"7062414","11.949","0.004","11.507","0.004","13.75","0.004","90","","109.32","0.02","90","","1784.1","1","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C46 H38 P2 Pd -","- C46 H38 P2 Pd -","- C92 H76 P4 Pd2 -","2","1","","Fehn, Natalie; Strauss, Melanie; Jandl, Christian; Drees, Markus; Heiz, Ueli; Köhler, Klaus; Kartouzian, Aras","On the nature of optical activity in chiral transition metal complexes: [Pd(Me)2(BINAP)]","New Journal of Chemistry","2023","47","17","7961","7964","10.1039/D3NJ00945A","","x-ray","0.71073","MoKα","","0.0485","0.0361","","","0.0651","0.0693","","","","","","0.991","","","","has coordinates","283380","2023-05-05","02:52:48",""
"7062415","11.8884","0.0006","11.4981","0.0005","13.7715","0.0007","90","","109.11","0.002","90","","1778.74","0.15","103","","103","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C46 H38 P2 Pd -","- C46 H38 P2 Pd -","- C92 H76 P4 Pd2 -","2","1","","Fehn, Natalie; Strauss, Melanie; Jandl, Christian; Drees, Markus; Heiz, Ueli; Köhler, Klaus; Kartouzian, Aras","On the nature of optical activity in chiral transition metal complexes: [Pd(Me)2(BINAP)]","New Journal of Chemistry","2023","47","17","7961","7964","10.1039/D3NJ00945A","","x-ray","0.71073","MoKα","","0.0327","0.0267","","","0.0515","0.0531","","","","","","1.045","","","","has coordinates","283380","2023-05-05","02:52:51",""
"7062488","13.5754","0.0008","12.9309","0.0007","19.9574","0.0011","90","","101.121","0.002","90","","3437.6","0.3","0","","0","","","","","","","","","5","P 1 21 1","P 2yb","4","ABPT-CH3","","","- C84 H64 N8 O4 S4 -","- C84 H64 N8 O4 S4 -","- C168 H128 N16 O8 S8 -","2","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","","0.71073","MoKα","","0.3047","0.0722","","","0.1004","0.1623","","","","","","0.919","","","","has coordinates","284937","2023-07-05","10:32:37",""
"7062552","6.5963","0.0005","12.8953","0.0009","9.5356","0.0007","90","","97.461","0.002","90","","804.24","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl3 N2 O4 -","- C15 H11 Cl3 N2 O4 -","- C30 H22 Cl6 N4 O8 -","2","1","","Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins","New Journal of Chemistry","2023","47","29","13626","13637","10.1039/D3NJ02515B","","","0.71073","MoKα","","0.0405","0.0357","","","0.0772","0.0796","","","","","","1.039","","","","has coordinates","285474","2023-08-05","09:15:02",""
"7062553","6.6066","0.0002","12.8897","0.0005","9.5387","0.0004","90","","97.422","0.001","90","","805.48","0.05","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl3 N2 O4 -","- C15 H11 Cl3 N2 O4 -","- C30 H22 Cl6 N4 O8 -","2","1","","Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins","New Journal of Chemistry","2023","47","29","13626","13637","10.1039/D3NJ02515B","","","0.71073","MoKα","","0.0286","0.0254","","","0.055","0.0566","","","","","","1.028","","","","has coordinates","285474","2023-08-05","09:15:02",""
"7062571","6.95","0.0013","32.855","0.006","7.9566","0.0014","90","","96.405","0.004","90","","1805.5","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N4 O -","- C20 H16 Br N4 O -","- C80 H64 Br4 N16 O4 -","4","2","","Mandal, Naba Kr; Arya, Priyanka; Raghav, Neera; Chowdhury, Shubhamoy; Naskar, Jnan Prakash","Design, synthesis, crystal structure, photophysical behavior and aggregation-induced emission of a novel pyrene scaffold multifunctional Schiff base ligand: inhibition of digestive enzymes and docking studies","New Journal of Chemistry","2023","47","30","14551","14568","10.1039/D3NJ02148C","","","0.71073","MoKα","","0.1368","0.1079","","","0.2695","0.2876","","","","","","1.109","","","","has coordinates","285489","2023-08-05","09:19:55",""
"7062669","11.7275","0.0002","5.3703","0.0001","14.0036","0.0002","90","","100.556","0.002","90","","867.02","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Cież, Dariusz; Pałasz, Aleksandra; Kozieł, Krzysztof; Lutsan, Antonii; Kalinowska-Tłuścik, Justyna","Titanium(iv) enolates of cyclic ketones – stereoselective addition of cyclododecanone to aromatic aldehydes","New Journal of Chemistry","2023","47","35","16505","16517","10.1039/D3NJ02355A","","x-ray","1.54184","CuKα","","0.031","0.0302","","","0.0791","0.0796","","","","","","1.046","","","","has coordinates","286775","2023-10-06","00:31:54",""
"7062686","10.367","0.0004","5.5115","0.0002","12.1835","0.0005","90","","95.746","0.002","90","","692.64","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C32 H32 O4 S2 -","2","1","","Blé-González, Ever A.; Isbel, Stephen R.; Ojo, Olatunji S.; Hillesheim, Patrick C.; Zeller, Matthias; Bugarin, Alejandro","Regiodivergent sulfonylation of terminal olefins via dearomative rearrangement","New Journal of Chemistry","2023","47","36","17020","17025","10.1039/D3NJ03595F","","","0.71073","MoKα","","0.0435","0.0367","","","0.0994","0.1047","","","","","","1.04","","","","has coordinates","286771","2023-10-06","00:31:16",""
"7062694","12.4589","0.0013","12.9868","0.001","12.6311","0.0011","90","","107.763","0.01","90","","1946.3","0.3","113","18","113","18","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H24 B F10 N3 O -","- C41 H24 B F10 N3 O -","- C82 H48 B2 F20 N6 O2 -","2","1","","Murali, Anna Chandrasekar; Pratakshya, Preeta; Patel, Pratiksha; Nayak, Prakash; Peruncheralathan, Saravanan; Venkatasubbaiah, Krishnan","Synthesis, structural, and photophysical properties of pyrazolyl bis(pentafluorophenyl)boron complexes","New Journal of Chemistry","2023","47","38","17835","17842","10.1039/D3NJ03025C","","x-ray","0.71073","MoKα","","0.0952","0.0883","","","0.2032","0.2089","","","","","","1.0403","","","","has coordinates,has disorder","286783","2023-10-06","00:34:59",""
"7062705","9.3648","0.0005","5.3613","0.0003","17.6629","0.001","90","","100.307","0.006","90","","872.5","0.09","104.7","0.9","104.7","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F3 O2 S -","- C20 H17 F3 O2 S -","- C40 H34 F6 O4 S2 -","2","1","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.0774","0.0693","","","0.1825","0.1887","","","","","","1.058","","","","has coordinates","287386","2023-11-06","08:02:15",""
"7062712","6.0699","0.0012","16.684","0.003","9.459","0.002","90","","101.436","0.006","90","","938.9","0.3","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Cl O2 -","- C21 H25 Cl O2 -","- C42 H50 Cl2 O4 -","2","1","","Mahey, Jasbir Kaur; Pawara, Chunilal B.; Kamble, Sumit B.","A single-pot synthesis of 4-hydroxybenzophenones via acid-catalyzed alkoxylation of p-quinone methides followed by DDQ-assisted oxo-demethoxylation","New Journal of Chemistry","2023","47","39","18419","18429","10.1039/D3NJ03163B","","","0.71073","MoKα","","0.1149","0.0582","","","0.1196","0.1509","","","","","","1.026","","","","has coordinates","287390","2023-11-06","08:02:58",""
"7062783","11.6202","0.0011","19.455","0.002","16.1507","0.0018","90","","101.367","0.004","90","","3579.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H83 Co2 Li2 N3 O16 -","- C70 H83 Co2 Li2 N3 O16 -","- C140 H166 Co4 Li4 N6 O32 -","2","1","","Yambulatov, Dmitriy S.; Nikolaevskii, Stanislav A.; Lukoyanov, Anton N.; Shmelev, Maxim A.; Voronina, Julia K.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","A new cobalt(ii)–lithium(i) carboxylate complex with an N,O-donor mono-iminoacenaphthenone ligand: synthesis, structure and magnetic behavior","New Journal of Chemistry","2023","47","42","19362","19366","10.1039/D3NJ04144A","","","0.71073","MoKα","","0.1644","0.084","","","0.1764","0.2137","","","","","","0.977","","","","has coordinates,has disorder","287376","2023-11-06","07:59:48",""
"7062849","8.1572","0.0003","6.9602","0.0003","12.5929","0.0005","90","","93.328","0.001","90","","713.77","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C18 H14 Mo O2 -","- C18 H14 Mo O2 -","- C36 H28 Mo2 O4 -","2","1","","Štěpán, Jiří; Vinklárek, Jaromír; Císařová, Ivana; Dostál, Libor; Honzíček, Jan","Benz[e]indenyl and benz[f]indenyl molybdenum compounds: evidence of the η3-coordination mode","New Journal of Chemistry","2023","47","46","21396","21403","10.1039/D3NJ04406H","","","0.71073","MoKα","","0.0164","0.016","","","0.0402","0.0404","","","","","","1.107","","","","has coordinates,has disorder","288838","2024-01-06","08:46:15",""
"7062861","7.4301","0.0001","7.26","0.0001","12.4619","0.0001","90","","99.037","0.001","90","","663.882","0.014","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-dimethyl-8-(8'-quinolinyl)azaxanthine","","- C15 H12 N6 O2 -","- C15 H12 N6 O2 -","- C30 H24 N12 O4 -","2","1","","Nandi, Nishithendu Bikash; Das, Nishan; Ghanta, Susanta; Puzari, Krishti Rekha; Dutta, Pranab; Kłak, Julia; Sieroń, Lesław; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Atropisomers and a copper(ii) complex derived from 1,3-dimethyl-5-(8′-quinolinylazo)-6-aminouracil: structures, magnetism and biological properties","New Journal of Chemistry","2023","47","47","21633","21647","10.1039/D3NJ04598F","","x-ray","1.54184","CuKα","","0.0223","0.0222","","","0.0583","0.0585","","","","","","1.078","","","","has coordinates","288847","2024-01-06","08:55:49",""
"7062862","7.4288","0.0001","7.2604","0.0001","12.4596","0.0001","90","","99.035","0.001","90","","663.684","0.014","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-dimethyl-8-(8'-quinolinyl)azaxanthine","","- C15 H12 N6 O2 -","- C15 H12 N6 O2 -","- C30 H24 N12 O4 -","2","1","","Nandi, Nishithendu Bikash; Das, Nishan; Ghanta, Susanta; Puzari, Krishti Rekha; Dutta, Pranab; Kłak, Julia; Sieroń, Lesław; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Atropisomers and a copper(ii) complex derived from 1,3-dimethyl-5-(8′-quinolinylazo)-6-aminouracil: structures, magnetism and biological properties","New Journal of Chemistry","2023","47","47","21633","21647","10.1039/D3NJ04598F","","x-ray","1.54184","CuKα","","0.0211","0.0211","","","0.0557","0.0558","","","","","","1.053","","","","has coordinates","288847","2024-01-06","08:55:54",""
"7062897","10.9206","0.0004","6.2585","0.0002","14.4384","0.0004","90","","99.98","0.003","90","","971.88","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br Cl N O2 -","- C23 H19 Br Cl N O2 -","- C46 H38 Br2 Cl2 N2 O4 -","2","1","","Ansari, Mohd Yeshab; Swarnkar, Sumedha; Kumar, Atul","One-pot construction of highly functionalized 4H-chromenes using K-10 montmorillonite in aqueous medium","New Journal of Chemistry","2024","48","5","1992","1997","10.1039/D3NJ04619B","","x-ray","0.71073","MoKα","","0.026","0.0251","","","0.0636","0.064","","","","","","1.065","","","","has coordinates","289583","2024-02-04","12:20:50",""
"7062914","8.078","0.006","6.215","0.005","8.92","0.007","90","","102.188","0.01","90","","437.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-nitroamino-3-nitroimino-8-oxo-7,8-dihydro-[1,2,4]triazolo[3,4-f][1,2,4]triazine","","- C4 H3 N9 O5 -","- C4 H3 N9 O5 -","- C8 H6 N18 O10 -","2","1","","Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin","Towards improved comprehensive energetic properties by skeleton modification","New Journal of Chemistry","2024","48","3","1067","1070","10.1039/D3NJ05248F","","","0.71073","MoKα","","0.1037","0.0728","","","0.1836","0.223","","","","","","1.096","","","","has coordinates","289604","2024-02-04","12:25:55",""
"7062961","6.1517","0.0011","11.1177","0.0019","14.455","0.002","90","","91.786","0.006","90","","988.1","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H31 N O3 Si -","- C17 H31 N O3 Si -","- C34 H62 N2 O6 Si2 -","2","1","","Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins","New Journal of Chemistry","2024","48","5","2097","2117","10.1039/D3NJ03900E","","","0.71073","MoKα","","0.0514","0.0433","","","0.0859","0.09","","","","","","1.067","","","","has coordinates","289580","2024-02-04","12:20:15",""
"7062963","9.5029","0.0004","44.825","0.002","11.1259","0.0006","90","","90.692","0.003","90","","4738.9","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N2 O4 Si -","- C19 H36 N2 O4 Si -","- C152 H288 N16 O32 Si8 -","8","4","","Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins","New Journal of Chemistry","2024","48","5","2097","2117","10.1039/D3NJ03900E","","","1.54178","CuKα","","0.0918","0.0799","","","0.2241","0.2413","","","","","","1.025","","","","has coordinates,has disorder","289580","2024-02-04","12:20:15",""
"7063002","10.3589","0.0004","20.5853","0.0007","11.7439","0.0006","90","","105.593","0.004","90","","2412.11","0.18","100.01","0.1","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H45 Cu2 I2 P3 -","- C54 H45 Cu2 I2 P3 -","- C108 H90 Cu4 I4 P6 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","","0.71073","MoKα","","0.0538","0.0415","","","0.0635","0.0693","","","","","","1.032","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7063036","13.385","0.0007","17.9218","0.001","13.9875","0.0008","90","","114.647","0.003","90","","3049.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H84 Cl4 N4 O10 -","- C60 H84 Cl4 N4 O10 -","- C120 H168 Cl8 N8 O20 -","2","1","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.1387","0.0678","","","0.1272","0.1547","","","","","","0.975","","","","has coordinates","291013","2024-04-05","00:03:25",""
"7063037","10.0713","0.0012","17.542","0.002","12.5246","0.0015","90","","106.352","0.007","90","","2123.2","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","GALF2","GALF","","- C19 H22 Cl2 F2 N2 O5 -","- C19 H22 Cl2 F2 N2 O5 -","- C76 H88 Cl8 F8 N8 O20 -","4","2","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.1147","0.0825","","","0.1923","0.2122","","","","","","1.053","","","","has coordinates","291013","2024-04-05","00:03:25",""
"7063038","9.9303","0.0007","17.9109","0.0012","10.1057","0.0007","90","","94.298","0.004","90","","1792.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C72 H88 N8 O20 -","2","1","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.0443","0.0374","","","0.0858","0.0899","","","","","","1.064","","","","has coordinates","291013","2024-04-05","00:03:25",""
"7063058","5.0552","0.0003","9.2248","0.0005","25.6961","0.0013","90","","90.499","0.003","90","","1198.25","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Rippel, Rafael; Leitão, Flávia; Georgieva, Miglena K.; Mamede, Rafael; Gomes, Clara S. B.; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Lourenço, Ana; Ferreira, Luísa M.; Branco, Paula S.","Exploring the synthesis of aminal guanidine-based molecules: synthesis of cernumidine and analogues, and survey of its anti-inflammatory activity","New Journal of Chemistry","2024","48","12","5247","5257","10.1039/D3NJ05406C","","x-ray","1.54178","CuKα","","0.0871","0.0704","","","0.178","0.188","","","","","","1.016","","","","has coordinates","291033","2024-04-05","00:06:49",""
"7063066","18.357","0.011","12.475","0.007","18.564","0.013","90","","115.78","0.02","90","","3828","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (Z)-(4-(1-cyano-2-(thiophen-3-yl)vinyl)phenyl)carbamate","","- C41 H54 N2 O2 S -","- C41 H54 N2 O2 S -","- C164 H216 N8 O8 S4 -","4","2","","Ramya, Nelliyulla Kappumchalil; Athira, Parappurath; Mathews, Manoj; Shankar Rao, Doddamane S.; Thomas, Reji","Cholesterol-appended cyanostyryl thiophene positional isomers with multistimuli responsive emission switching and liquid crystalline properties","New Journal of Chemistry","2024","48","13","5911","5918","10.1039/D3NJ04310J","","","0.71073","MoKα","","0.1327","0.0703","","","0.1309","0.1616","","","","","","1.107","","","","has coordinates,has disorder","291011","2024-04-05","00:02:48",""
"7063071","8.1113","0.0005","6.7331","0.0003","11.6092","0.0007","90","","105.805","0.007","90","","610.06","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C30 H28 N4 O2 -","2","1","","Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li","Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water","New Journal of Chemistry","2024","48","14","6103","6108","10.1039/D3NJ05093A","","x-ray","1.54184","CuKα","","0.0518","0.0494","","","0.1256","0.1277","","","","","","1.087","","","","has coordinates","291022","2024-04-05","00:05:07",""
"7063108","8.2517","0.0002","20.7292","0.0007","13.3563","0.0005","90","","102.561","0.003","90","","2229.93","0.13","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N O5 -","- C25 H20 F3 N O5 -","- C100 H80 F12 N4 O20 -","4","2","","He, Yingying; Li, Hongtao; Song, Longlong; Chen, Lili; Liu, Shunying","Efficient synthesis of bioactive isoindolinone derivatives containing continuous quaternary carbons by intermolecular OH transfer","New Journal of Chemistry","2024","48","17","7754","7760","10.1039/D4NJ00347K","","x-ray","1.54184","CuKα","","0.0862","0.0744","","","0.2011","0.2167","","","","","","1.097","","","","has coordinates","291668","2024-05-05","03:46:13",""
"7063113","4.9151","0.0006","10.5757","0.0016","12.47","0.003","90","","94.788","0.016","90","","645.9","0.2","115.45","0.1","115.45","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl2 N3 O10 -","- C6 H11 Cl2 N3 O10 -","- C12 H22 Cl4 N6 O20 -","2","1","","Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo","A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties","New Journal of Chemistry","2024","48","17","7946","7952","10.1039/D4NJ01095G","","x-ray","0.71073","MoKα","","0.0491","0.0424","","","0.0948","0.0969","","","","","","0.99","","","","has coordinates","291669","2024-05-05","03:46:41",""
"7063117","11.0288","0.0004","16.7801","0.0006","12.7714","0.0004","90","","113.194","0.001","90","","2172.5","0.13","273.15","","273.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H40 Cl N3 O2 P2 Ru -","- C50 H40 Cl N3 O2 P2 Ru -","- C100 H80 Cl2 N6 O4 P4 Ru2 -","2","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes in catalytic α -alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0329","0.0296","","","0.0722","0.0736","","","","","","1.0272","","","","has coordinates,has disorder","290770","2024-04-04","00:41:02",""
"7063126","4.8579","0.0001","21.1948","0.0004","15.9374","0.0003","90","","91.905","0.002","90","","1640.04","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H40 N4 O7 -","- C34 H40 N4 O7 -","- C68 H80 N8 O14 -","2","1","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0568","0.0504","","","0.1544","0.1596","","","","","","1.162","","","","has coordinates","291129","2024-04-06","00:42:34",""
"7063146","19.0845","0.0002","14.0567","0.0002","35.0169","0.0003","90","","91.231","0.001","90","","9391.64","0.18","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C138 H167 Br8 Cu8 N37 O32 -","- C138 H167 Br8 Cu8 N37 O32 -","- C276 H334 Br16 Cu16 N74 O64 -","2","1","","Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Sheng-Bin; Zhang, Kaiming; Jiang, Weidong","Micelle-Modulated Reactivity of Novel Copper(II) Complexes with Reduced L-Histidine Schiff Bases as Mimic Carboxylesterases","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00486H","","x-ray","1.54184","CuKα","","0.0441","0.0408","","","0.1161","0.1197","","","","","","1.04","","","","has coordinates,has disorder","291168","2024-04-11","00:35:30",""
"7063149","10.3159","0.0005","30.2698","0.0011","15.1352","0.0006","90","","103.948","0.003","90","","4586.8","0.3","193","2","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H20 F10 N2 -","- C39 H20 F10 N2 -","- C234 H120 F60 N12 -","6","3","","Cao, Jing; Zhang, Wenhao; Ding, Yeda; Zhang, Xuejin; Zhang, Yuanyuan; Qiao, Dan; Biao, Shumin; Dong, Xuefei; Song, Jiayi; Dai, Gaole; Zhao, Ruiguo; Wang, Qing","Pyrrole and Pyridine Peripherally Fused Perylene: Columnar Packing, Anti-Kasha Dual Emission and Reactive Oxygen Species Generation","New Journal of Chemistry","2024","","","","","10.1039/D4NJ01177E","","","1.34139","GaKα","","0.0699","0.0486","","","0.1133","0.1224","","","","","","1.054","","","","has coordinates","291216","2024-04-16","00:42:58",""
"7063166","4.9628","0.0001","12.4177","0.0001","7.5022","0.0001","90","","100.98","0.001","90","","453.871","0.012","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O -","- C8 H15 N3 O -","- C16 H30 N6 O2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(II)-mediated formation of amidines","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00235K","","x-ray","1.54184","CuKα","","0.0309","0.0307","","","0.079","0.0791","","","","","","1.056","","","","has coordinates","291242","2024-04-17","00:40:05",""
"7100002","6.131","0.001","13.95","0.002","20.22","0.003","90","","91.021","0.004","90","","1729.1","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","2","","","","Chemical Communications","2005","","","","","10.1039/b414470h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100017","11.735","0.002","17.146","0.003","17.634","0.004","90","","105.44","0.03","90","","3419.9","1.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H77 Cl N2 O2 P2 Ru -","- C78 H77 Cl N2 O2 P2 Ru -","- C156 H154 Cl2 N4 O4 P4 Ru2 -","2","1","","Robert H. Morris; Xuanhua Chen.; Christian Elpelt; Rongwei Guo.; Datong Song.","A Modular Design of Ruthenium Catalysts with Diamine and Binol-derived Phosphinite Ligands that are Enantiomerically-Matched for the Effective Asymmetric Transfer Hydrogenation of Simple Ketones","Chemical Communications","2005","","","","","10.1039/b502123e","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100020","13.0619","0.0002","15.4301","0.0003","13.6751","0.0001","90","","92.057","0.001","90","","2754.39","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","in paper 3d","","","- C53 H64 Cl4 N10 O3 -","- C53 H64 Cl4 N10 O3 -","- C106 H128 Cl8 N20 O6 -","2","1","","Gebhard Haberhauer; Thomas Oeser; Frank Rominger","A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems","Chemical Communications","2005","","","","","10.1039/b502158h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100071","11.372","0.0008","9.4378","0.0007","13.8177","0.001","90","","97.694","0.002","90","","1469.66","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O6 -","- C32 H37.829 N2 O6 -","- C64 H75.658 N4 O12 -","2","1","","Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita","Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts","Chemical Communications","2005","","","","","10.1039/b504164c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100164","11.121","0.002","6.1323","0.001","30.671","0.006","90","","90.179","0.006","90","","2091.8","0.7","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 F2 N2 O6 -","- C22 H22 F2 N2 O6 -","- C88 H88 F8 N8 O24 -","4","2","","D. O'Hagan; Martin Schuler; A. Slawin","The C-F bond as a tool for influencing peptide conformation","Chemical Communications","2005","","","","","10.1039/b506010a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100200","11.9892","0.0002","6.8589","0.0001","13.2344","0.0002","90","","93.282","0.001","90","","1086.52","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cu2 N16 -","- C12 H28 Cu2 N16 -","- C24 H56 Cu4 N32 -","2","1","","Chang Seop Hong; Sang Jun Oh; Jung Hee Yoon; Young Sin You","Chiral azide-bridged two-dimensional Cu(II) compounds showing a field-induced spin-flop transition","Chemical Communications","2005","","","","","10.1039/b507051a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100201","12.0004","0.0004","6.8589","0.0002","13.2287","0.0004","90","","93.281","0.001","90","","1087.06","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cu2 N16 -","- C12 H28 Cu2 N16 -","- C24 H56 Cu4 N32 -","2","1","","Chang Seop Hong; Sang Jun Oh; Jung Hee Yoon; Young Sin You","Chiral azide-bridged two-dimensional Cu(II) compounds showing a field-induced spin-flop transition","Chemical Communications","2005","","","","","10.1039/b507051a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100205","10.4226","0.0002","11.4979","0.0002","14.9892","0.0002","90","","95.392","0.001","90","","1788.33","0.05","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 O S -","- C23 H22 O S -","- C92 H88 O4 S4 -","4","2","","Gareth J. Rowlands; Rakesh Parmar","The facile synthesis of enantiomerically pure 4-substituted [2.2]paracyclophanes","Chemical Communications","2005","","","","","10.1039/b507394d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100364","10.3839","0.0012","6.2094","0.0004","15.9554","0.0018","90","","108.513","0.004","90","","975.53","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Br N2 O2 -","- C21 H23 Br N2 O2 -","- C42 H46 Br2 N4 O4 -","2","1","","S. Caddick; D. Pardoe; N.R. Treweeke","Controlling diastereoselectivity in the reactions of enantiomerically pure a-bromoacyl-imidazolidinones with nitrogen nucleophiles. Substitution reactions with retention or inversion of configuration.","Chemical Communications","2005","","","","","10.1039/b417954d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100384","11.702","0.001","13.351","0.001","14.156","0.001","90","","100.81","0.01","90","","2172.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H38 N4 O S -","- C19 H38 N4 O S -","- C76 H152 N16 O4 S4 -","4","2","","Albrecht Berkessel; Felix Cleeman; Johann Lex; Santanu Mukherjee; Thomas N. Muller","Second-Generation Organocatalysts for the Highly Enantioselective Dynamic Kinetic Resolution of Azlactones","Chemical Communications","2005","","","","","10.1039/b418666d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100428","8.1619","0.0018","3.6646","0.0008","13.278","0.003","90","","91.31","0.003","90","","397.04","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Chloro-2,4-dinitroanilene","","","- C6 H4 Cl N3 O4 -","- C6 H4 Cl N3 O4 -","- C12 H8 Cl2 N6 O8 -","2","1","","C. Malla Reddy; Srinivas Basavoju; Gautam.Desiraju R","Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline","Chemical Communications","2005","","","","","10.1039/b500712g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100470","10.8391","0.0002","14.8658","0.0002","11.5981","0.0002","90","","99.432","0.001","90","","1843.56","0.05","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H27 N3 O5 Os -","- C15 H27 N3 O5 Os -","- C60 H108 N12 O20 Os4 -","4","2","","Wenhao Hu; Zhi Yong Chen; Hui Liu; Chong Dao Lu; Ai-Qiao Mi","Rhodium Catalyzed Three-Component Reaction of Diazoacetates, Titanium(IV) Alkoxides and Aldehydes","Chemical Communications","2005","","","","","10.1039/b502150b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100474","7.5729","0.0005","5.4503","0.0004","13.4175","0.0009","90","","94.077","0.002","90","","552.4","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(4-methoxyphenoxy)aniline","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100518","9.233","0.005","10.44","0.005","15.36","0.005","90","","90.166","0.005","90","","1480.6","1.2","298","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Co F12 N3 O4 P2 -","- C24 H25 Co F12 N3 O4 P2 -","- C48 H50 Co2 F24 N6 O8 P4 -","2","1","","Clotilde Policar; Francois Bellot; Renaud Hardre; Giorgio Pelosi; Michel Therisod","Superoxide Dismutase Activity of Cobalt(II) Complexes Based on a Sugar Plateform.","Chemical Communications","2005","","","","","10.1039/b508893c","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100520","14.03","0.002","19.345","0.002","14.077","0.002","90","","118.43","0.01","90","","3359.9","0.8","198","2","198","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H54 Br4 Cl2 N2 Ni3 O16 -","- C61 H54 Br4 Cl2 N2 Ni3 O16 -","- C122 H108 Br8 Cl4 N4 Ni6 O32 -","2","1","","M. Albrecht; Sabrina Dehn; Roland Frohlich; Gerhard Raabe","Structural diversity in the assembly of enantiopure helicate type nickel(II) complexes with bis(?-diketonate) ligands","Chemical Communications","2005","","","","","10.1039/b509147k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100589","10.7258","0.0007","11.0115","0.0007","11.2248","0.0007","90","","90.941","0.001","90","","1325.55","0.15","125","2","125","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C17 H29 Al Cl4 Fe N O2 P Si -","- C17 H29 Al Cl4 Fe N O2 P Si -","- C34 H58 Al2 Cl8 Fe2 N2 O4 P2 Si2 -","2","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity Patterns of Thermally Stable, Terminal, Electrophilic Phosphinidene Complexes Towards Diazoalkanes: Oxidation at the Phosphorus Centre and Formation of P-bound h1-Phosphaimine, h1-Phosphaalkene and h3-Diazaphosphaallene Complexes.","Chemical Communications","2005","","","","","10.1039/b512375e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100601","8.028","0.003","22.64","0.01","13.025","0.008","90","","100.99","0.02","90","","2323","1","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H38 Br4 Cl2 -","- C55 H38 Br4 Cl2 -","- C110 H76 Br8 Cl4 -","2","1","","Takanori Shibata; Kyoji Tsuchikama","Ir-catalyzed practically perfect enantioselective synthesis of helical polyaryls based on an axially chiral sequence","Chemical Communications","2005","","","","","10.1039/b513124c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100662","6.2583","0.0007","7.3007","0.0008","16.5882","0.0016","90","","98.717","0.003","90","","749.16","0.14","118","2","118","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H17 N2 O5 -","- C32 H34 N4 O10 -","2","1","","Evans, P. Andrew; Lai, Kwong Wah; Zhang, Hai-Ren; Huffman, John C.","Regioselective and enantiospecific rhodium-catalyzed allylic amination with thymine: synthesis of a new conformationally rigid nucleoside","Chemical Communications","2006","","","","","10.1039/b513083b","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100732","11.2163","0.0008","8.5454","0.0008","11.5523","0.0012","90","","112.48","0.006","90","","1023.12","0.12","218","1","218","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N O5 -","- C21 H22 Br N O5 -","- C42 H44 Br2 N2 O10 -","2","1","","Hans-Joachim Knolker; Elke Baum; Regina Czerwonka; Kethiri R. Reddy","First enantioselective total synthesis of neocarazostatin B, determination of its absolute configuration and transformation into carquinostatin A","Chemical Communications","2006","","","","","10.1039/b515674b","","","","","","","0.0279","","","0.071","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100812","9.2288","0.0008","13.5778","0.0012","10.2001","0.0009","90","","94.31","0.002","90","","1274.53","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H16 Fe2 N4 O8 -","- C28 H16 Fe2 N4 O8 -","- C56 H32 Fe4 N8 O16 -","2","1","","Kuan-Jiuh Lin; Lu-Lin Li; Hung-Duen Yang","A Coordination pi-pi Framework Exhibiting Spontaneous Magnetization","Chemical Communications","2006","","","","","10.1039/b515681e","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100814","10.632","0.0018","9.2506","0.0015","18.993","0.003","90","","105.409","0.003","90","","1800.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","2","","Ben Tang; Yongqiang Dong; Matthias Haussler; Jacky W.Y Lam; Hui Tong","Tunable Aggregation-Induced Emission of Novel Dibenzofulvene Derivatives","Chemical Communications","2006","","","","","10.1039/b515798f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100820","10.768","0.002","5.2056","0.0012","13.747","0.003","90","","110.24","0.013","90","","723","0.3","120","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As3 Cs2 H3 O13 Zn3 -","- As3 Cs2 H3 O13 Zn3 -","- As6 Cs4 H6 O26 Zn6 -","2","1","","S.B. Wiggin; M.T. Weller","A chiral, 16-ring channel framework and a layered caesium zincoarsenate","Chemical Communications","2006","","","","","10.1039/b516293a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100830","11.4915","0.0011","12.2167","0.0012","16.0434","0.0015","90","","108.288","0.005","90","","2138.5","0.4","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C240 H160 N32 -","- C15 H10 N2 -","- C120 H80 N16 -","8","4","","A. Parenty; K. Guthrie; L. Smith; E. Burkholder; L. Cronin","","Chemical Communications","2006","","","","","10.1039/b517117b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100896","10.0322","0.0003","13.6913","0.0003","10.4751","0.0003","90","","92.964","0.002","90","","1436.87","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 N2 -","- C8 H8 N2 -","- C64 H64 N16 -","8","4","","M. Nonnenmacher; D. Kunz; F. Rominger; T. Oeser","First X-ray Crystal Structures of 10π- and 14π-electron Pyrido-annelated N- heterocyclic Carbenes","Chemical Communications","2006","","","","","10.1039/b517816a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100921","7.534","0.001","7.61","0.001","12.685","0.001","90","","97.25","0.01","90","","721.52","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen","Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes","Chemical Communications","2006","","","1563","1565","10.1039/b600647g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100977","7.6488","0.0006","7.1371","0.0006","10.9816","0.0009","90","","97.617","0.002","90","","594.2","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 N O3 -","- C15 H9 N O3 -","- C30 H18 N2 O6 -","2","1","","Dr Russell J Cox; Dougal J Ritson; Thomas A Dane; John Berge; Jonathan P. H. Charmant; Anob Kantacha","Room Temperature Palladium Catalysed Coupling of Acyl Chlorides with Terminal Alkynes","Chemical Communications","2005","","","","","10.1039/b414826f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101061","7.5897","0.0015","27.591","0.006","19.19","0.004","90","","91.58","0.03","90","","4016.9","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N8 O24 S5 -","- C24 H40 N8 O24 S5 -","- C96 H160 N32 O96 S20 -","4","2","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101073","8.9269","0.0011","6.0679","0.001","10.4425","0.0015","90","","113.21","0.009","90","","519.86","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 F6 N2 O P -","- C6 H12 F6 N2 O P -","- C12 H24 F12 N4 O2 P2 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101074","8.9265","0.0018","6.0639","0.0012","10.44","0.002","90","","113.15","0.03","90","","519.59","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 F6 N2 O Si -","- C6 H12 F6 N2 O Si -","- C12 H24 F12 N4 O2 Si2 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101113","14.9232","0.001","11.0214","0.001","23.44","0.003","90","","93.397","0.001","90","","3848.6","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H58 Al Cl N2 O3 -","- C39 H58 Al Cl N2 O3 -","- C156 H232 Al4 Cl4 N8 O12 -","4","2","","Malcolm Chisholm; Nathan J. Patmore","Concerning the relative importance of enantiomorphic site versus chain end control in the stereoselective polymerization of lactides: reactions of (R,R-salen)- and (S,S-salen)-aluminum alkoxides LAlOCH2R complexes (R == CH3 and S-CHMeCl)","Chemical Communications","2005","","1","","","10.1039/b413266a","","","0.71073","MoKα","","0.0749","0.0508","","","0.1237","0.1364","","","","","","1.021","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101114","14.927","0.001","10.941","0.001","23.393","0.003","90","","93.69","0.01","90","","3812.5","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H58 Al Cl N2 O3 -","- C39 H58 Al Cl N2 O3 -","- C156 H232 Al4 Cl4 N8 O12 -","4","2","","Malcolm Chisholm; Nathan J. Patmore","Concerning the relative importance of enantiomorphic site versus chain end control in the stereoselective polymerization of lactides: reactions of (R,R-salen)- and (S,S-salen)-aluminum alkoxides LAlOCH2R complexes (R == CH3 and S-CHMeCl)","Chemical Communications","2005","","1","","","10.1039/b413266a","","","0.71073","MoKα","","0.0852","0.0555","","","0.1321","0.1467","","","","","","1.02","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101171","14.241","0.0014","13.9311","0.0013","20.098","0.002","90","","109.168","0.003","90","","3766.3","0.6","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H102.73 Lu2 O60.37 -","- C48 H54 Lu2 O60.32 -","- C96 H108 Lu4 O120.64 -","2","1","","Pascale Delangle; Pascal Henry Fries; Andree Gadelle; J. Pecaut","Inclusion complexes of trivalent lutetium cation with an acidic derivative of per(3,6-anhydro)-a-cyclodextrin","Chemical Communications","2005","","5","","","10.1039/b414870c","","","0.71073","MoKα","","0.0329","0.0316","","","0.0852","0.0858","","","","","","1.05","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101173","9.7704","0.0001","17.6269","0.0003","16.833","0.0002","90","","93.335","0.001","90","","2894.1","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H78 Li4 N8 -","- C70 H78 Li4 N8 -","- C140 H156 Li8 N16 -","2","1","","Patricia Horrillo Martínez; Kai C. Hultzsch; Frank Hampel","Base-catalysed asymmetric hydroamination/cyclisation of aminoalkenes utilising a dimeric chiral diamidobinaphthyl dilithium salt","Chemical Communications","2006","","21","","","10.1039/b518360j","","","0.71073","MoKα","","0.073","0.0542","","","0.1309","0.1438","","","","","","1.012","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101196","9.5487","0.0003","14.9037","0.0008","9.8115","0.0005","90","","115.807","0.003","90","","1257","0.1","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 Ni O2 P2 -","- C29 H28 Ni O2 P2 -","- C58 H56 Ni2 O4 P4 -","2","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0451","0.0383","","","0.0767","0.0794","","","","","","1.037","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101233","16.4968","0.0002","15.7557","0.0002","27.3215","0.0004","90","","102.994","0.001","90","","6919.53","0.16","120","1","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C108 H190 Ag2 B2 F8 O57 S4 -","- C108 H190 Ag2 B2 F8 O57 S4 -","- C216 H380 Ag4 B4 F16 O114 S8 -","2","1","","D.Matt; D.Armspach; F.Balegroune; B.Bemmerad; P.Clair; L.Toupec","Sulfur-capped cyclodextrins: a new class of cavitands with extroverted as well as introverted donor functionalities","Chemical Communications","2006","","25","","","10.1039/b603400d","","","0.71069","MoKα","","0.085","0.0519","","","0.1287","0.1563","","","","","","0.821","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101257","9.21","0.004","7.142","0.003","20.061","0.008","90","","94.636","0.007","90","","1315.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 Fe O3 P -","- C32 H31 Fe O3 P -","- C64 H62 Fe2 O6 P2 -","2","1","","Weiping Chen.; Stanley Roberts; John Whittall","Efficient and Highly Stereoselective Syntheses of New P-Chiral 1,5-Diphosphanylferrocene Ligands and Their Use in Enantioselective Hydrogenation","Chemical Communications","2006","","27","","","10.1039/b601952h","","","0.71073","MoKα","","0.0898","0.0455","","","0.0919","0.1149","","","","","","0.99","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101258","6.446","","6.446","","14.444","","90","","98.14","","90","","594.1","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C26 H20 Cu2 N4 O8 -","2","1","","Catalina Ruiz-Perez; Javier Campo; Miguel Julve; F. Lloret; Jorge Pasan; Joaquin Sanchiz","Metamagnetism in hydrophobically induced carboxylate (phenylmalonate)-bridged copper(II) layers","Chemical Communications","2006","","27","","","10.1039/b602144a","","x-ray","0.71073","MoKα","","0.1344","0.1253","","","0.3153","0.3233","","","","","","1.411","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101274","10.1781","0.0012","12.7075","0.0015","11.4937","0.0014","90","","99.4442","0.0017","90","","1466.4","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-(-)-bis((S)-2acetoxypropionato)- 3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'-binaphthyl","","","- C30 H14 F12 O8 -","- C30 H14 F12 O8 -","- C60 H28 F24 O16 -","2","1","","W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel","2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL","Chemical Communications","2006","","27","","","10.1039/b605716k","","","0.71073","MoKα","","0.0378","0.0316","","","0.0798","0.0837","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101279","12.7729","0.0007","7.4551","0.0004","17.0731","0.0008","90","","107.236","0.004","90","","1552.75","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 I N O2 -","- C15 H20 I N O2 -","- C60 H80 I4 N4 O8 -","4","2","","Wood, Mark E.; Penny, Mark J.; Steere, Jenny S.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.","A general route to protected quaternary α-amino acids from β-amino alcohols via a stereocontrolled radical approach","Chemical Communications (Cambridge, United Kingdom)","2006","","28","2983","2985","10.1039/b604123j","","","0.71073","MoKα","","0.0526","0.037","","","0.0728","0.0787","","","","","","1.055","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101336","9.2526","0.0007","25.721","0.0018","9.8995","0.0007","90","","90.085","0.002","90","","2355.9","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N3 O4 V -","- C27 H24 N3 O4 V -","- C108 H96 N12 O16 V4 -","4","2","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.6751","synchrotron","","0.1472","0.1423","","","0.377","0.3814","","","","","","1.057","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101370","6.1303","0.0007","7.4239","0.0009","20.258","0.004","90","","96.75","0.008","90","","915.6","0.2","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C42 H46 N6 -","2","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","0.71073","MoKα","","0.0659","0.0589","","","0.1716","0.1797","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101371","5.951","0.0012","7.596","0.0015","21.59","0.004","90","","96.82","0.03","90","","969","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H25 N3 -","- C23 H25 N3 -","- C46 H50 N6 -","2","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","1.54178","CuKα","","0.0582","0.0491","","","0.1343","0.1489","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101413","10.425","0.002","9.2502","0.0019","25.909","0.005","90","","95.57","0.03","90","","2486.8","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H30 Cl10 O6 P2 Pd -","- C49 H30 Cl10 O6 P2 Pd -","- C98 H60 Cl20 O12 P4 Pd2 -","2","1","","Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.","Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3880","3882","10.1039/b609704a","","","0.71073","MoKα","","0.0925","0.0666","","","0.1267","0.1381","","","","","","1.004","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101414","15.6433","0.0017","19.522","0.003","18.184","0.002","90","","93.354","0.005","90","","5543.7","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C108 H88 Cl4 O12 P4 Pd2 -","- C108 H88 Cl4 O12 P4 Pd2 -","- C216 H176 Cl8 O24 P8 Pd4 -","2","1","","Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.","Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3880","3882","10.1039/b609704a","","","1.54178","CuKα","","0.0707","0.0573","","","0.1321","0.14","","","","","","1","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101452","15.7533","0.0003","10.5328","0.0002","17.8744","0.0005","90","","102.805","0.0001","90","","2892.07","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C63 H70.52 N9 O9.76 -","- C63 H70.518 N9 O9.759 -","- C126 H141.036 N18 O19.518 -","2","1","","Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles","Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4069","4071","10.1039/b604747e","","x-ray","0.71073","MoKα","","0.1228","0.0531","","","0.1205","0.1443","","","","","","0.956","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101513","8.0966","0.0006","18.9835","0.0015","9.5427","0.0007","90","","101.518","0.001","90","","1437.19","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","P2Iodocage","","","- C20 H30 Ga I5 P2 -","- C20 H30 Ga I5 P2 -","- C40 H60 Ga2 I10 P4 -","2","1","","Oliver C. Presly; Michael Green; John C. Jeffery; Eva Leiner; Martin Murray; Christopher A. Russell; Manfred Scheer; Ulf Vogel","The surprising and stereoselective formation of P2C10 cages by the reduction of Cp*PCl2","Chemical Communications","2006","","43","","","10.1039/b611484a","","","0.71073","MoKα","","0.0889","0.0637","","","0.1663","0.1836","","","","","","1.049","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101517","7.7525","0.0008","12.0713","0.0013","9.9335","0.001","90","","97.914","0.001","90","","920.75","0.17","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","0.71073","MoKα","","0.0306","0.0286","","","0.0759","0.0801","","","","","","0.494","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101595","4.8023","0.0001","8.6693","0.0002","24.105","0.0005","90","","93.793","0.002","90","","1001.36","0.04","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N5 O4 -","- C18 H27 N5 O4 -","- C36 H54 N10 O8 -","2","1","","M. Khurram N. Qureshi; Martin D. Smith","Parallel sheet structure in cyclopropane γ-peptides stabilized by C‒H...O hydrogen bonds","Chemical Communications","2006","","48","","","10.1039/b611882h","","","0.71073","MoKα","","0.0481","0.0447","","","0.1073","0.1106","","","","","","1.045","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101603","8.9522","0.0004","6.7582","0.0005","18.8755","0.0014","90","","100.685","0.004","90","","1122.19","0.13","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","theophylline L-tartaric acid 2/1","theophylline L-tartaric acid 2/1","","- C18 H22 N8 O10 -","- C18 H22 N8 O10 -","- C36 H44 N16 O20 -","2","1","","W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell","Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals","Chemical Communications","2006","","48","","","10.1039/b613073a","powder diffraction","","","","","0.0817","","","","","","","","1.3","","","","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101608","10.7551","0.0014","6.1499","0.0005","13.849","0.003","90","","96.077","0.01","90","","910.8","0.2","159","2","159","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H29 N O7 -","- C16 H29 N O7 -","- C32 H58 N2 O14 -","2","1","","Enders, Dieter; Gasperi, Tecla","Proline organocatalysis as a new tool for the asymmetric synthesis of ulosonic acid precursors.","Chemical communications (Cambridge, England)","2007","","1","88","90","10.1039/b611265j","","","0.71073","MoKα","","0.0366","0.0314","","","0.0788","0.0829","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101649","9.6437","0.00019","12.4445","0.0012","18.3737","0.0017","90","","102.099","0.003","90","","2156.1","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21.5 H21.5 Br Cl1.5 N2 O3 -","- C21.5 H21.5 Br Cl1.5 N2 O3 -","- C86 H86 Br4 Cl6 N8 O12 -","4","2","","Lachia, Mathilde; Poriel, Cyril; Slawin, Alexandra M Z; Moody, Christopher J","The remarkable effect of the 7-substituent in the diastereoselective oxidative rearrangement of indoles: asymmetric synthesis of 3,3-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2007","","3","286","288","10.1039/b613716d","","","1.54178","CuKα","","0.1471","0.0858","","","0.133","0.1574","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101662","8.901","0.005","10.995","0.006","21.876","0.012","90","","100.157","0.009","90","","2107.3","1.9","298","","","","","","","","","","","7","P 1 21 1","P 2yb","4","Not named","","","- C34 H53 Cl F2 N4 O10 P2 -","- C34 H53 Cl F2 N4 O10 P2 -","- C68 H106 Cl2 F4 N8 O20 P4 -","2","1","","Chen, Alex M; Ellison, Martha E; Peresypkin, Andrey; Wenslow, Robert M; Variankaval, Narayan; Savarin, Cecile G; Natishan, Theresa K; Mathre, David J; Dormer, Peter G; Euler, Danielle H; Ball, Richard G; Ye, Zhixiong; Wang, Yaling; Santos, Ivan","Development of a pharmaceutical cocrystal of a monophosphate salt with phosphoric acid.","Chemical communications (Cambridge, England)","2007","","4","419","421","10.1039/b612353h","","","0.71073","MoKα","","","0.098","","","0.224","0.238","","","","","","1.182","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101687","9.6268","0.0003","9.6508","0.0003","16.5051","0.0005","90","","90.7285","0.0012","90","","1533.3","0.08","202","2","202","2","","","","","","","","7","P 1 21 1","P 2yb","4","Bis(2,6-di(4-chloropyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(4-chloropyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H14 B2 Cl4 F8 Fe N10 -","- C22 H14 B1.98 Cl4 F7.92 Fe N10 -","- C44 H28 B3.96 Cl8 F15.84 Fe2 N20 -","2","1","","Pritchard, Ruth; Kilner, Colin A; Halcrow, Malcolm A","Iron(II) complexes with a terpyridine embrace packing motif show remarkably consistent cooperative spin-transitions.","Chemical communications (Cambridge, England)","2007","","6","577","579","10.1039/b613402e","","","0.71073","MoKα","","0.0791","0.0742","","","0.2038","0.2069","","","","","","1.128","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7101693","14.214","0.005","9.039","0.001","16.311","0.003","90","","100.552","0.008","90","","2060.2","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl2 F2 N2 Pd -","- C20 H24 Cl2 F2 N2 Pd -","- C80 H96 Cl8 F8 N8 Pd4 -","4","2","","Rafii, Esfandiar; Dassonneville, Benjamin; Heumann, Andreas","Highly selective R,S-coordination of non racemic (1R,2R)-(1,2-dialkyl)-1,2-diamine cyclohexane derivatives to palladium dichloride.","Chemical communications (Cambridge, England)","2007","","6","583","585","10.1039/b613961b","","","0.71073","MoKα","","0.0668","0.0482","","","0.0965","0.1094","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101702","9.7738","0.0012","13.1358","0.0016","9.8656","0.0012","90","","109.146","0.002","90","","1196.5","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","((1-(2-Benzyloxy-phenyl)-2-nitro-ethyl)-diphenyl-phosphine)- borane complex","","","- C27 H27 B N O3 P -","- C27 H27 B N O3 P -","- C54 H54 B2 N2 O6 P2 -","2","1","","Bartoli, Giuseppe; Bosco, Marcella; Carlone, Armando; Locatelli, Manuela; Mazzanti, Andrea; Sambri, Letizia; Melchiorre, Paolo","Organocatalytic asymmetric hydrophosphination of nitroalkenes.","Chemical communications (Cambridge, England)","2007","","7","722","724","10.1039/b613477g","","","0.71073","MoKα","","0.0275","0.0271","","","0.0775","0.0779","","","","","","1.418","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101711","5.4015","0.0002","10.6598","0.0004","13.0093","0.0005","90","","99.248","0.004","90","","739.33","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Zhao, Gui-Ling; Xu, Yongmei; Sundén, Henrik; Eriksson, Lars; Sayah, Mahmoud; Córdova, Armando","Organocatalytic enantioselective conjugate addition of aldehydes to maleimides.","Chemical communications (Cambridge, England)","2007","","7","734","735","10.1039/b614962f","","","0.71073","MoKα","","0.0985","0.0363","","","0.0396","0.046","","","","","","0.669","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101714","9.6357","0.0016","14.869","0.003","10.9996","0.0017","90","","103.461","0.005","90","","1532.6","0.5","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","(7S,7aR)-3-Acetyl-4-benzyl-7-methyl-1,4,5,6,7,7a- hexahydropyrrolo(3,2-b)pyridin-2-one","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","2","","Bower, John F; Riis-Johannessen, Thomas; Szeto, Peter; Whitehead, Andrew J; Gallagher, Timothy","Stereospecific construction of substituted piperidines. Synthesis of (-)-paroxetine and (+)-laccarin.","Chemical communications (Cambridge, England)","2007","","7","728","730","10.1039/b617260a","","x-ray","1.5418","CuKα","","0.0722","0.0647","","","0.1679","0.1783","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101813","5.02","0.001","16.571","0.001","18.4","0.001","90","","93.37","0.002","90","","1528","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H49 N3 O4 -","- C29 H49 N3 O4 -","- C58 H98 N6 O8 -","2","1","","Cicchi, Stefano; Ghini, Giacomo; Lascialfari, Luisa; Brandi, Alberto; Betti, Francesca; Berti, Debora; Ferrati, Silvia; Baglioni, Piero","A new organogelator based on an enantiopure C2 symmetric pyrrolidine.","Chemical communications (Cambridge, England)","2007","","14","1424","1426","10.1039/b614311c","","","1.54178","CuKα","","0.0975","0.0568","","","0.1481","0.1739","","","","","","0.887","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101853","11.0267","0.0017","6.9804","0.0011","11.2114","0.0017","90","","116.392","0.002","90","","773","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","(S,aR)-1a","(S,aR)-1a","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Sakamoto, Masami; Unosawa, Atsushi; Kobaru, Shuichiro; Hasegawa, Yasuhiro; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Diastereoselective photocycloaddition using memory effect of molecular chirality controlled by crystallization.","Chemical communications (Cambridge, England)","2007","","16","1632","1634","10.1039/b617888j","","","0.71073","MoKα","","0.0391","0.0352","","","0.0884","0.0914","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101854","7.6654","0.0005","12.799","0.0008","9.0881","0.0006","90","","99.486","0.001","90","","879.44","0.1","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","(S,aR)-1b","(S,aR)-1b","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","Sakamoto, Masami; Unosawa, Atsushi; Kobaru, Shuichiro; Hasegawa, Yasuhiro; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Diastereoselective photocycloaddition using memory effect of molecular chirality controlled by crystallization.","Chemical communications (Cambridge, England)","2007","","16","1632","1634","10.1039/b617888j","","","0.71073","MoKα","","0.0493","0.0445","","","0.1048","0.1129","","","","","","0.496","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101910","8.4537","0.0006","9.5906","0.0007","10.0814","0.0008","90","","104.847","0.006","90","","790.07","0.1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","N-(2-thiono-1,3,2-oxathiaphospholanyl)tryptophan methyl ester","N-(2-thiono-1,3,2-oxathiaphospholanyl)tryptophan methyl ester","","- C14 H17 N2 O3 P S2 -","- C14 H17 N2 O3 P S2 -","- C28 H34 N4 O6 P2 S4 -","2","1","","Krakowiak, Agnieszka; Kaczmarek, Renata; Baraniak, Janina; Wieczorek, Michał; Stec, Wojciech J","Stereochemistry of rHint1 hydrolase assisted cleavage of P-N bond in nucleoside 5'-O-phosphoramidothioates.","Chemical communications (Cambridge, England)","2007","","21","2163","2165","10.1039/b615160d","","","0.71073","MoKα","","0.0205","0.0201","","","0.0524","0.0527","","","","","","1.028","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101921","9.3596","0.0008","8.767","0.0009","15.4785","0.0015","90","","96.803","0.005","90","","1261.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 B10 Ru -","- C24 H34 B10 Ru -","- C48 H68 B20 Ru2 -","2","1","","Zlatogorsky, Sergey; Ellis, David; Rosair, Georgina M; Welch, Alan J","Unexpectedly facile isomerisation of [7,10-Ph2-7,10-nido-C2B10H10]2- to [7,9-Ph2-7,9-nido-C2B10H10]2-.","Chemical communications (Cambridge, England)","2007","","21","2178","2180","10.1039/b618556h","","","0.71073","MoKα","","0.0563","0.0388","","","0.0895","0.0977","","","","","","1.058","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101928","9.8813","0.0004","18.1336","0.0007","11.4775","0.0005","90","","103.333","0.002","90","","2001.15","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H61 F N6 O2 -","- C43 H61 F N6 O2 -","- C86 H122 F2 N12 O4 -","2","1","","Bates, Gareth W; Gale, Philip A; Light, Mark E","Isophthalamides and 2,6-dicarboxamidopyridines with pendant indole groups: a 'twisted' binding mode for selective fluoride recognition.","Chemical communications (Cambridge, England)","2007","","21","2121","2123","10.1039/b703905k","","","0.71073","MoKα","","0.1058","0.0754","","","0.1329","0.1484","","","","","","1.155","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101931","9.783","0.0004","18.6247","0.0005","11.3671","0.0005","90","","102.697","0.002","90","","2020.5","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 F N5 O2 -","- C44 H62 F N5 O2 -","- C88 H124 F2 N10 O4 -","2","1","","Bates, Gareth W; Gale, Philip A; Light, Mark E","Isophthalamides and 2,6-dicarboxamidopyridines with pendant indole groups: a 'twisted' binding mode for selective fluoride recognition.","Chemical communications (Cambridge, England)","2007","","21","2121","2123","10.1039/b703905k","","","0.71073","MoKα","","0.0915","0.0605","","","0.1233","0.1339","","","","","","1.198","","","","has coordinates,has disorder","180121","2020-10-21","18:00:00",""
"7101938","7.1024","0.0014","7.0967","0.0014","13.38","0.003","90","","90.81","0.03","90","","674.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H4 Co2 N4 O10 S2 -","- C8 H4 Co2 N4 O10 S2 -","- C16 H8 Co4 N8 O20 S4 -","2","1","","Li, Jian-Rong; Yu, Qun; Tao, Ying; Bu, Xian-He; Ribas, Joan; Batten, Stuart R","Magnetic canting or not? Two isomorphous 3D CoII and NiII coordination polymers with the rare non-interpenetrated (10,3)-d topological network, showing spin-canted antiferromagnetism only in the CoII system.","Chemical communications (Cambridge, England)","2007","","22","2290","2292","10.1039/b700569e","","","0.71073","MoKα","","0.0247","0.0226","","","0.0515","0.0523","","","","","","1.01","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101939","7.1244","0.0014","7.1131","0.0014","13.153","0.003","90","","90.85","0.03","90","","666.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H4 N4 Ni2 O10 S2 -","- C8 H4 N4 Ni2 O10 S2 -","- C16 H8 N8 Ni4 O20 S4 -","2","1","","Li, Jian-Rong; Yu, Qun; Tao, Ying; Bu, Xian-He; Ribas, Joan; Batten, Stuart R","Magnetic canting or not? Two isomorphous 3D CoII and NiII coordination polymers with the rare non-interpenetrated (10,3)-d topological network, showing spin-canted antiferromagnetism only in the CoII system.","Chemical communications (Cambridge, England)","2007","","22","2290","2292","10.1039/b700569e","","","0.71073","MoKα","","0.0308","0.028","","","0.0617","0.0631","","","","","","1.04","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101957","10.09","0.002","10.883","0.002","20.027","0.004","90","","101.95","0.02","90","","2151.5","0.7","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O5 S2 -","- C23 H19 N O5 S2 -","- C92 H76 N4 O20 S8 -","4","2","","Liu, Tian-Yu; Cui, Hai-Lei; Chai, Qian; Long, Jun; Li, Bang-Jing; Wu, Yong; Ding, Li-Sheng; Chen, Ying-Chun","Organocatalytic asymmetric Friedel-Crafts alkylation/cascade reactions of naphthols and nitroolefins.","Chemical communications (Cambridge, England)","2007","","22","2228","2230","10.1039/b704925k","","","0.71073","MoKα","","0.0856","0.0439","","","0.0786","0.0868","","","","","","0.886","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101964","8.632","0.002","10.071","0.003","12.195","0.002","90","","95.043","0.001","90","","1056.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O8 -","- C20 H27 N O8 -","- C40 H54 N2 O16 -","2","1","","Hajra, Saumen; Giri, Aswini Kumar; Karmakar, Ananta; Khatua, Snehadrinarayan","Asymmetric aldol reactions under normal and inverse addition modes of the reagents","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2408","2410","10.1039/b618699h","","","0.71073","MoKα","","0.0931","0.0496","","","0.11","0.1271","","","","","","1.024","","","","has coordinates","210621","2020-10-21","18:00:00",""
"7101966","12.517","0.003","6.3855","0.0013","21.558","0.004","90","","90.98","0.03","90","","1722.7","0.6","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","2, 2, 4, 4-tetramethyl -1-(4-hydroxyphenyl)-3-(4- methoxyphenyl)acetone","","","- C40 H50 O7 -","- C40 H50 O7 -","- C80 H100 O14 -","2","1","","Zhang, Jing; Gembicky, Milan; Messerschmidt, Marc; Coppens, Philip","Hydrogen-bond quenching of photodecarbonylation in the solid state and recovery of reactivity by co-crystallization","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2399","2401","10.1039/b700073a","","","0.71073","MoKα","","0.0376","0.0354","","","0.0969","0.0991","","","","","","1.035","","","","has coordinates","209758","2020-10-21","18:00:00",""
"7101969","13.039","0.007","7.401","0.004","22.56","0.012","90","","102.44","0.005","90","","2125.8","1.9","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","2","","Sreekanth, B. R.; Vishweshwar, Peddy; Vyas, K.","Supramolecular synthon polymorphism in 2 : 1 co-crystal of 4-hydroxybenzoic acid and 2,3,5,6-tetramethylpyrazine","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2375","2377","10.1039/b700082k","","","0.7107","MoKα","","","0.054","","","","0.121","","","","","","0.886","","","","has coordinates","210482","2020-10-21","18:00:00",""
"7101971","8.5631","0.0002","18.641","0.0005","10.6743","0.0003","90","","105.995","0.002","90","","1637.92","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H64 Al Li N2 -","- C30 H64 Al Li N2 -","- C60 H128 Al2 Li2 N4 -","2","1","","García-Álvarez, Joaquín; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.","Lewis base stabilized lithium TMP-aluminates: an unexpected fragmentation and capture reaction involving cyclic ether 1,4-dioxane","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2402","2404","10.1039/b700785j","","","0.71073","MoKα","","0.0912","0.0559","","","0.1144","0.1321","","","","","","1.041","","","","has coordinates","209745","2020-10-21","18:00:00",""
"7102044","11.3839","0.0005","7.4365","0.0003","12.1179","0.0005","90","","116.057","0.001","90","","921.59","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H19 B F5 N3 O3 Zn -","- C15 H19 B F5 N3 O3 Zn -","- C30 H38 B2 F10 N6 O6 Zn2 -","2","1","","Ingleson, Michael J; Bacsa, John; Rosseinsky, Matthew J","Homochiral H-bonded proline based metal organic frameworks.","Chemical communications (Cambridge, England)","2007","","29","3036","3038","10.1039/b706557d","","","0.6911","synchrotron","","0.0728","0.0676","","","0.1852","0.1935","","","","","","1.086","","","","has coordinates,has disorder","180122","2020-10-21","18:00:00",""
"7102059","8.7903","0.0012","12.7736","0.0017","9.6066","0.0013","90","","113.6","0.02","90","","988.4","0.2","108","2","108","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl methanethiosulfonate","2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl methanethiosulfonate","","- C15 H22 O11 S2 -","- C15 H22 O11 S2 -","- C30 H44 O22 S4 -","2","1","","Bernardes, Gonçalo J L; Marston, Justin P; Batsanov, Andrei S; Howard, Judith A K; Davis, Benjamin G","A trisulfide-linked glycoprotein.","Chemical communications (Cambridge, England)","2007","","30","3145","3147","10.1039/b706682a","","","0.71073","MoKα","","0.0273","0.0264","","","0.068","0.0688","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102060","5.6609","0.0006","20.85","0.002","9.2785","0.001","90","","105.45","0.03","90","","1055.6","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O11 S3 -","- C15 H22 O11 S3 -","- C30 H44 O22 S6 -","2","1","","Bernardes, Gonçalo J L; Marston, Justin P; Batsanov, Andrei S; Howard, Judith A K; Davis, Benjamin G","A trisulfide-linked glycoprotein.","Chemical communications (Cambridge, England)","2007","","30","3145","3147","10.1039/b706682a","","","0.71073","MoKα","","0.0287","0.0275","","","0.0693","0.0701","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102075","9.4159","0.0007","16.0171","0.0011","12.8196","0.001","90","","103.049","0.003","90","","1883.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 N2 O5 -","- C38 H46 Cl2 N2 O5 -","- C76 H92 Cl4 N4 O10 -","2","1","","Bond, Andrew D; Jørgensen, Wendie H; Pløger, Jane M","Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state.","Chemical communications (Cambridge, England)","2007","","31","3273","3275","10.1039/b706422e","","","0.71073","MoKα","","0.0499","0.0372","","","0.0851","0.0891","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102117","8.6057","0.0009","15.5239","0.0016","10.5267","0.0011","90","","95.728","0.002","90","","1399.3","0.3","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 -","- C35 H36 N2 -","- C70 H72 N4 -","2","1","","Holschumacher, Dirk; Hrib, Cristian G; Jones, Peter G; Tamm, Matthias","A stable chiral diaminocyclopropenylidene.","Chemical communications (Cambridge, England)","2007","","35","3661","3663","10.1039/b706708a","","","0.71073","MoKα","","0.0775","0.0428","","","0.0715","0.079","","","","","","0.974","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102118","13.4636","0.001","32.293","0.002","14.1429","0.0011","90","","90.649","0.002","90","","6148.6","0.8","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70.5 H73 Ag B Cl F4 N4 -","- C70.5 H73 Ag B Cl F4 N4 -","- C282 H292 Ag4 B4 Cl4 F16 N16 -","4","2","","Holschumacher, Dirk; Hrib, Cristian G; Jones, Peter G; Tamm, Matthias","A stable chiral diaminocyclopropenylidene.","Chemical communications (Cambridge, England)","2007","","35","3661","3663","10.1039/b706708a","","","0.71073","MoKα","","0.1172","0.056","","","0.0977","0.1207","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102151","13.792","0.002","11.692","0.002","16.692","0.005","90","","96.428","0.008","90","","2674.8","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H72 Co Mo2 N2 O22 -","- C40 H55 Co Mo2 N2 O22 -","- C80 H110 Co2 Mo4 N4 O44 -","2","1","","Khatua, Snehadrinarayan; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Solvent dependent assembly and disassembly of a hydrogen bonded helical structure in a Co-Mo bimetallic complex.","Chemical communications (Cambridge, England)","2007","","38","3927","3929","10.1039/b705891h","","","0.71073","MoKα","","0.1252","0.0525","","","0.1084","0.1282","","","","","","1.065","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102152","13.735","0.003","11.7385","0.0011","16.8051","0.0011","90","","96.542","0.009","90","","2691.9","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H72 Co Mo2 N2 O22 -","- C40 H59 Co Mo2 N2 O22 -","- C80 H118 Co2 Mo4 N4 O44 -","2","1","","Khatua, Snehadrinarayan; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Solvent dependent assembly and disassembly of a hydrogen bonded helical structure in a Co-Mo bimetallic complex.","Chemical communications (Cambridge, England)","2007","","38","3927","3929","10.1039/b705891h","","","0.71073","MoKα","","0.0528","0.0421","","","0.1082","0.1124","","","","","","1.085","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102159","5.7988","0.001","31.336","0.005","8.4715","0.0013","90","","106.377","0.007","90","","1476.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-((4-pyridyl)methyl)-2-methylbenzimidazole, PhC(CN)(=NOH) Me5-PhCOOH","1-[(4-pyridyl)methyl]-2-methylbenzimidazole, PhC(CN)(=NOH) Me5-PhCOOH","","- C34 H35 N5 O3 -","- C34 H35 N5 O3 -","- C68 H70 N10 O6 -","2","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M","Constructing, deconstructing, and reconstructing ternary supermolecules.","Chemical communications (Cambridge, England)","2007","","38","3936","3938","10.1039/b707518a","","","0.71073","MoKα","","0.0467","0.0416","","","0.1098","0.1137","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102166","15.63","0.005","6.649","0.005","15.862","0.005","90","","117.866","0.005","90","","1457.3","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1S,2R,3S,5Z,7S,9R,10R,11Z,14S)-3-(Benzyloxy)-7- dimethyl(phenyl)silyl-cladiella-5(6),11(12)-diene-(E)-semicarbazide","(1S,2R,3S,5Z,7S,9R,10R,11Z,14S)-3-(Benzyloxy)-7-dimethyl(phenyl)silyl- cladiella-5(6),11(12)-diene-(E)-semicarbazide","","- C32 H41 N3 O3 Si -","- C32 H41 N3 O3 Si -","- C64 H82 N6 O6 Si2 -","2","1","","Gilmour, Ryan; Prior, Timothy J; Burton, Jonathan W; Holmes, Andrew B","An organocatalytic approach to the core of eunicellin.","Chemical communications (Cambridge, England)","2007","","38","3954","3956","10.1039/b709322e","","","0.8464","synchrotron","","0.1224","0.0902","","","0.237","0.2507","","","","","","1.024","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7102172","6.2084","0.0002","10.3461","0.0003","12.6475","0.0003","90","","97.319","0.002","90","","805.76","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Alemán, José; Reyes, Efraím; Richter, Bo; Overgaard, Jacob; Jørgensen, Karl Anker","Organocatalytic asymmetric ""anti-Michael"" reaction of beta-ketoesters.","Chemical communications (Cambridge, England)","2007","","38","3921","3923","10.1039/b710393j","","x-ray","1.54178","CuKα","","0.0313","0.0308","","","0.0773","0.0778","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102208","12.1773","0.0004","7.8453","0.0003","16.2028","0.0005","90","","107.044","0.0017","90","","1479.94","0.09","98.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H57 N O5 -","- C29.39 H53.32 N O4.77 -","- C58.78 H106.64 N2 O9.54 -","2","1","","Aburaya, Kazuaki; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4257","4259","10.1039/b705822e","","","1.54187","CuKα","","","0.169","","","","0.4679","","","","","","1.476","","","","has coordinates","210747","2020-10-21","18:00:00",""
"7102252","11.4552","0.0009","9.839","0.0007","11.7723","0.001","90","","107.632","0.001","90","","1264.5","0.17","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C52 H88 O8 -","4","2","","Kimura, Masanari; Mori, Masahiko; Tamaru, Yoshinao","Palladium-catalyzed 1,3-diol fragmentation: synthesis of omega-dienyl aldehydes.","Chemical communications (Cambridge, England)","2007","","43","4504","4506","10.1039/b708526e","","","0.7107","MoKα","","","0.0578","","","","0.138","","","","","","0.942","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102264","11.716","0.007","9.356","0.006","18.017","0.011","90","","92.307","0.009","90","","1973","2","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H53 F6 O6 P5 S2 -","- C29 H53 F6 O6 P5 S2 -","- C58 H106 F12 O12 P10 S4 -","2","1","","Riegel, Susanne D; Burford, Neil; Lumsden, Michael D; Decken, Andreas","Synthesis and characterization of elusive cyclo-di- and -tri-phosphino-1,3-diphosphonium salts: fundamental frameworks in catena-organophosphorus chemistry.","Chemical communications (Cambridge, England)","2007","","44","4668","4670","10.1039/b707741f","","x-ray","0.71073","MoKα","","0.0835","0.0637","","","0.1538","0.1729","","","","","","1.076","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102350","8.8819","0.0009","7.7118","0.0008","17.3991","0.0018","90","","98.307","0.002","90","","1179.3","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H21 Cl N O3 P -","- C28 H21 Cl N O3 P -","- C56 H42 Cl2 N2 O6 P2 -","2","1","","Fu, Xiao; Jiang, Zhiyong; Tan, Choon-Hong","Bicyclic guanidine-catalyzed enantioselective phospha-Michael reaction: synthesis of chiral beta-aminophosphine oxides and beta-aminophosphines.","Chemical communications (Cambridge, England)","2007","","47","5058","5060","10.1039/b713151h","","","0.71073","MoKα","","0.0484","0.0466","","","0.1149","0.1161","","","","","","1.106","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7102372","14.9614","0.0009","14.0008","0.0009","18.179","0.0011","90","","95.073","0.001","90","","3793.1","0.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H96 Cl2 Cu2 N6 O9 -","- C74 H94 Cl2 Cu2 N6 O9 -","- C148 H188 Cl4 Cu4 N12 O18 -","2","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Tsang, Chui-Shan; Wong, Wai-Yeung; Kwong, Hoi-Lun","Supramolecular double helical Cu(I) complexes for asymmetric cyclopropanation.","Chemical communications (Cambridge, England)","2007","","48","5203","5205","10.1039/b713010d","","","0.71073","MoKα","","0.1456","0.0654","","","0.1432","0.176","","","","","","0.928","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102373","15.5877","0.0008","13.2827","0.0007","19.0425","0.001","90","","101.654","0.001","90","","3861.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H82 Cu2 F12 N10 P2 -","- C82 H82 Cu2 F12 N10 P2 -","- C164 H164 Cu4 F24 N20 P4 -","2","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Tsang, Chui-Shan; Wong, Wai-Yeung; Kwong, Hoi-Lun","Supramolecular double helical Cu(I) complexes for asymmetric cyclopropanation.","Chemical communications (Cambridge, England)","2007","","48","5203","5205","10.1039/b713010d","","","0.71073","MoKα","","0.0819","0.0535","","","0.1354","0.1535","","","","","","1.016","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102401","11.6234","0.0017","5.8505","0.0009","16.29","0.002","90","","109.624","0.003","90","","1043.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfonamide10","","","- C24 H22 Br N O2 S -","- C24 H22 Br N O2 S -","- C48 H44 Br2 N2 O4 S2 -","2","1","","Lipowsky, Gunter; Helmchen, Günter","Regio- and enantioselective iridium-catalysed allylic aminations and alkylations of dienyl esters.","Chemical communications (Cambridge, England)","2004","","1","116","117","10.1039/b311502j","","","0.71073","MoKα","","0.0646","0.0523","","","0.1059","0.1122","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102411","9.743","0.002","21.892","0.003","17.36","0.003","90","","91.177","0.005","90","","3702","1","120","","120","","","","","","","","","8","P 1 21 1","P 2yb","4","Pd-I-benzene-macrocycle, loose barbiturate","","","- C75 H65 Cl6 I N8 O7 P2 Pd -","- C75 H65 Cl6 I N8 O7 P2 Pd -","- C150 H130 Cl12 I2 N16 O14 P4 Pd2 -","2","1","","Larsen, Jens; Rasmussen, Brian S; Hazell, Rita G; Skrydstrup, Troels","Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies.","Chemical communications (Cambridge, England)","2004","","2","202","203","10.1039/b309863j","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.376","","","","has coordinates","193994","2020-10-21","18:00:00",""
"7102414","9.0412","0.0002","20.6912","0.0006","14.7923","0.0004","90","","94.369","0.002","90","","2759.2","","288.2","","288.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H32 Br10 Se8 -","- C48 H32 Br10 Se8 -","- C96 H64 Br20 Se16 -","2","1","","Nakanishi, Warô; Hayashi, Satoko; Yamaguchi, Shigehiro; Tamao, Kohei","First Br4 four centre-six electron and Se2Br5 seven centre-ten electron bonds in nonionic bromine adducts of selenanthrene.","Chemical communications (Cambridge, England)","2004","","2","140","141","10.1039/b310655a","","","0.7107","MoKα","","","0.038","","","0.0504","","","","","1.065","1.065","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102431","12.4287","0.0005","8.1038","0.0004","13.0208","0.0006","90","","106.313","0.002","90","","1258.65","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H15 Ag F3 N3 O3 S -","- C7 H15 Ag F3 N3 O3 S -","- C28 H60 Ag4 F12 N12 O12 S4 -","4","2","","Pickering, Alexandra L; Seeber, Georg; Long, De-Liang; Cronin, Leroy","Polymeric silver(I) coordination tubes.","Chemical communications (Cambridge, England)","2004","","2","136","137","10.1039/b312876h","","","0.71073","MoKα","","0.05","0.036","","","0.07","0.075","","","","","","1.04","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102466","7.436","0.011","17.116","0.0012","8.713","0.013","90","","105.712","0.014","90","","1068","2","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.0485","0.0329","","","0.0758","0.0818","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102467","8.429","0.007","15.65","0.014","9.98","0.009","90","","105.4","0.07","90","","1269.2","1.9","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N2 O7 -","- C29 H31 N2 O7 -","- C58 H62 N4 O14 -","2","1","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.0541","0.0457","","","0.1151","0.121","","","","","","1.066","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102507","8.415","0.005","10.176","0.005","12.718","0.005","90","","91.284","0.005","90","","1088.8","0.9","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H32 N8 O15 -","- C10 H32 N8 O15 -","- C20 H64 N16 O30 -","2","1","","Boschetti, Frédéric; Denat, Franck; Espinosa, Enrique; Lagrange, Jean-Marie; Guilard, Roger","A powerful route to C-functionalised tetraazamacrocycles.","Chemical communications (Cambridge, England)","2004","","5","588","589","10.1039/b315285e","","","0.71069","MoKα","","0.0585","0.0458","","","0.1021","0.1089","","","","","","1.056","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102516","21.411","0.004","12.431","0.002","21.874","0.004","90","","92.147","0.004","90","","5817.8","1.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C94 H108 Cl4 Co2 N18 O38 S6 -","- C94 H104 Cl4 Co2 N18 O38 S6 -","- C188 H208 Cl8 Co4 N36 O76 S12 -","2","1","","Harding, Lindsay P; Jeffery, John C; Riis-Johannessen, T; Rice, Craig R; Zeng, Zuotao","Anion control of ligand self-recognition in a triple helical array.","Chemical communications (Cambridge, England)","2004","","6","654","655","10.1039/b313218h","","","0.71073","MoKα","","0.1277","0.0641","","","0.1585","0.1902","","","","","","0.987","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102530","14.8015","0.0001","29.1555","0.0003","17.1807","0.0002","90","","99.33","0.001","90","","7316.16","0.12","110","1","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C121 H201 Cl3 O61 P2 -","- C121 H191 Cl3 O59.5 P2 -","- C242 H382 Cl6 O119 P4 -","2","1","","Engeldinger, Eric; Poorters, Laurent; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Diastereospecific synthesis of phosphinidene-capped cyclodextrins leading to ""introverted"" ligands.","Chemical communications (Cambridge, England)","2004","","6","634","635","10.1039/b315802k","","","0.71073","MoKα","","0.1333","0.0829","","","0.2105","0.2477","","","","","","1.027","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102621","7.0091","0.0008","11.5134","0.0013","14.9095","0.0017","90","","94.404","0.002","90","","1199.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br2 F4 O12 -","- C20 H18 Br2 F4 O12 -","- C40 H36 Br4 F8 O24 -","2","1","","Fawcett, John; Moralee, Andrew C; Percy, Jonathan M; Salafia, Vittoria; Vincent, Mark A; Hillier, Ian H","A surprising steric effect on a tandem cycloaddition/ring-opening reaction: rapid syntheses of difluorinated analogues of (hydroxymethyl)conduritols.","Chemical communications (Cambridge, England)","2004","","9","1062","1063","10.1039/b401245c","","","0.71073","MoKα","","0.0314","0.0294","","","0.0702","0.0708","","","","","","0.993","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102623","11.13","0.002","7.964","0.002","13.859","0.002","90","","106.16","0.02","90","","1179.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N3 O3 S -","- C23 H35 N3 O3 S -","- C46 H70 N6 O6 S2 -","2","1","","Jeong, Nakcheol; Kim, Dong Hoon; Choi, Jun Hun","Desymmetrization of meso-dienyne by asymmetric Pauson-Khand type reaction catalysts.","Chemical communications (Cambridge, England)","2004","","9","1134","1135","10.1039/b401288g","","","0.71073","MoKα","","0.0524","0.0482","","","0.0995","0.1024","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102634","9.3604","0.0002","23.4811","0.0005","9.7168","0.0002","90","","95.488","0.001","90","","2125.89","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H50 Br2 O7 P2 -","- C45 H50 Br2 O7 P2 -","- C90 H100 Br4 O14 P4 -","2","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.0761","0.0598","","","0.1435","0.1501","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102635","10.2793","0.0002","15.1367","0.0004","11.5954","0.0004","90","","100.701","0.0012","90","","1772.81","0.08","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H37 B F4 N3 O2 P2 Rh -","- C36 H37 B F4 N3 O2 P2 Rh -","- C72 H74 B2 F8 N6 O4 P4 Rh2 -","2","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.0345","0.0312","","","0.0698","0.0727","","","","","","1.029","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102643","9.1683","0.0002","20.2115","0.0007","10.8752","0.0003","90","","101.599","0.002","90","","1974.08","0.1","120","1","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H54 F12 N4 P2 -","- C34 H54 F12 N4 P2 -","- C68 H108 F24 N8 P4 -","2","1","","Clavier, Hervé; Boulanger, Loïse; Audic, Nicolas; Toupet, Loïc; Mauduit, Marc; Guillemin, Jean-Claude","Design and synthesis of imidazolinium salts derived from (L)-valine. Investigation of their potential in chiral molecular recognition","Chemical Communications (Cambridge, United Kingdom)","2004","","10","1224","1225","10.1039/b402368d","","","0.71069","MoKα","","0.1321","0.0789","","","0.204","0.2449","","","","","","1.044","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7102676","6.3686","0.001","7.667","0.002","16.419","0.003","90","","99.6","0.02","90","","790.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 N O S6 -","- C12 H11 N O S6 -","- C24 H22 N2 O2 S12 -","2","1","","Réthoré, Céline; Fourmigue, Marc; Avarvari, Narcis","Tetrathiafulvalene based phosphino-oxazolines: a new family of redox active chiral ligands.","Chemical communications (Cambridge, England)","2004","","12","1384","1385","10.1039/b402877e","","","0.71073","MoKα","","0.2526","0.0787","","","0.1848","0.2504","","","","","","0.755","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102719","12.022","0.001","14.95","0.001","14.663","0.001","90","","94.869","0.002","90","","2625.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrahydro-beta-carboline","","- C27 H30 Cl2 N2 O4 S -","- C27 H30 Cl2 N2 O4 S -","- C108 H120 Cl8 N8 O16 S4 -","4","2","","Karpov, Alexei S; Oeser, Thomas; Müller, Thomas J J","A novel one-pot four-component access to tetrahydro-beta-carbolines by a coupling-amination-aza-annulation-Pictet-Spengler sequence (CAAPS).","Chemical communications (Cambridge, England)","2004","","13","1502","1503","10.1039/b404559a","","","0.71073","MoKα","","0.0613","0.05","","","0.1069","0.1122","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102721","11.5206","0.0015","5.7277","0.0007","15.792","0.002","90","","107.137","0.002","90","","995.8","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 F2 O8 -","- C19 H22 F2 O8 -","- C38 H44 F4 O16 -","2","1","","Audouard, Christophe; Barsukov, Igor; Fawcett, John; Griffith, Gerry A; Percy, Jonathan M; Pintat, Stéphane; Smith, Clive A","A stereodivergent asymmetric approach to difluorinated aldonic acids.","Chemical communications (Cambridge, England)","2004","","13","1526","1527","10.1039/b405067c","","","0.71073","MoKα","","0.0484","0.0413","","","0.0877","0.091","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102752","9.283","0.0007","5.5489","0.0005","18.4252","0.0014","90","","90.844","0.006","90","","948.99","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H32 O4 -","- C19 H32 O4 -","- C38 H64 O8 -","2","1","","Lincoln, Christopher M; White, James D; Yokochi, Alexandre F T","Stereochemistry of contiguous cyclopropane formation from cascade cyclization of a skipped dienyl homoallyl triflate.","Chemical communications (Cambridge, England)","2004","","24","2846","2847","10.1039/b412811g","","","1.54178","CuKα","","0.0818","0.0784","","","0.1933","0.1972","","","","","","1.031","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102782","9.167","0.003","5.7038","0.0011","17.002","0.005","90","","104.803","0.004","90","","859.5","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dibenzyl (E,E)-muconate","Dibenzyl (E,E)-muconate","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Direct observation of change in the molecular structure of benzyl (Z,Z)-muconate during photoisomerization in the solid state","Chemical Communications (Cambridge, United Kingdom)","2008","","1","55","57","10.1039/b714792a","","","0.71075","MoKα","","0.1292","0.0425","","","0.0742","0.089","","","","","","0.799","","","","has coordinates","210778","2020-10-21","18:00:00",""
"7102803","8.9412","0.0002","17.3511","0.0006","20.87","0.0007","90","","98.524","0.002","90","","3202","0.17","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H50 N3 Na Zn -","- C29 H50 N3 Na Zn -","- C116 H200 N12 Na4 Zn4 -","4","2","","Armstrong, David R.; Clegg, William; Dale, Sophie H.; García-Álvarez, Joaquín; Harrington, Ross W.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T.","Transamination chemistry of sodium TMP-zincate: synthesis and crystal structure of a chiral amidozincate","Chemical Communications (Cambridge, United Kingdom)","2008","","2","187","189","10.1039/b713987j","","","0.71073","MoKα","","0.0813","0.0529","","","0.0847","0.0946","","","","","","1.042","","","","has coordinates,has disorder","210797","2020-10-21","18:00:00",""
"7102850","12.8807","0.0003","13.338","0.0003","13.4542","0.0003","90","","104.94","0.001","90","","2233.33","0.09","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H60 Cd4 O18 -","- C40 H56 Cd4 O18 -","- C80 H112 Cd8 O36 -","2","1","","Zhang, Jian; Bu, Xianhui","Temperature dependent charge distribution in three-dimensional homochiral cadmium camphorates.","Chemical communications (Cambridge, England)","2008","","4","444","446","10.1039/b715945e","","","0.71073","MoKα","","0.028","0.0251","","","0.0508","0.0519","","","","","","0.846","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7102851","7.2911","0.0004","11.3103","0.0007","13.0172","0.0009","90","","99.332","0.004","90","","1059.25","0.11","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 Cd2 O8 -","- C20 H28 Cd2 O8 -","- C40 H56 Cd4 O16 -","2","1","","Zhang, Jian; Bu, Xianhui","Temperature dependent charge distribution in three-dimensional homochiral cadmium camphorates.","Chemical communications (Cambridge, England)","2008","","4","444","446","10.1039/b715945e","","","0.71073","MoKα","","0.1186","0.0513","","","0.1098","0.1408","","","","","","1.048","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7102883","15.62","0.005","11.377","0.004","15.62","0.005","90","","94.88","","90","","2765.7","1.5","100.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H36 Cu2 O19 -","- C45 H20 Cu2 O19 -","- C90 H40 Cu4 O38 -","2","1","","Tanaka, Koichi; Oda, Shinji; Shiro, Motoo","A novel chiral porous metal-organic framework: asymmetric ring opening reaction of epoxide with amine in the chiral open space.","Chemical communications (Cambridge, England)","2008","","7","820","822","10.1039/b714083e","","","0.7107","MoKα","","","0.0745","","","","0.1946","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102895","17.0141","0.0003","25.7458","0.0004","17.7497","0.0003","90","","90.021","0.001","90","","7775.1","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C148 H196 Cl4 N8 O34 P4 Pt2 -","- C148 H196 Cl4 N8 O34 P4 Pt2 -","- C296 H392 Cl8 N16 O68 P8 Pt4 -","2","1","","Laungani, Andy Ch; Breit, Bernhard","Supramolecular PhanePhos-analogous ligands through hydrogen-bonding for asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2008","","7","844","846","10.1039/b716529c","","","0.71073","MoKα","","0.0415","0.0359","","","0.0795","0.0822","","","","","","1.041","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7102959","22.625","0.003","9.6582","0.0011","24.852","0.004","90","","99.565","0.006","90","","5355.2","1.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H66 Si2 -","- C68 H66 Si2 -","- C272 H264 Si8 -","4","2","","Toyota, Shinji; Kuga, Makoto; Takatsu, Akiko; Goichi, Michio; Iwanaga, Tetsuo","Molecular folding screen: folding and unfolding of 1,8-anthrylene-ethynylene oligomers by photochemical cycloaddition and thermal cycloreversion.","Chemical communications (Cambridge, England)","2008","","11","1323","1325","10.1039/b717496a","","","0.71075","MoKα","","0.0773","0.0618","","","0.1612","0.171","","","","","","1.077","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7102965","6.6444","0.0009","24.942","0.003","7.9004","0.0011","90","","91.713","0.002","90","","1308.7","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","c832","","","- C22 H32 Cu2 N4 O12 -","- C20 H20 Cu2 N4 O8 -","- C40 H40 Cu4 N8 O16 -","2","1","","Ingleson, Michael J; Barrio, Jorge Perez; Bacsa, John; Dickinson, Calum; Park, Hyunsoo; Rosseinsky, Matthew J","Generation of a solid Brønsted acid site in a chiral framework.","Chemical communications (Cambridge, England)","2008","","11","1287","1289","10.1039/b718443c","","","0.71073","MoKα","","0.0553","0.0511","","","0.1118","0.1141","","","","","","1.085","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102976","10.392","0.0006","31.0783","0.0017","14.7868","0.0008","90","","109.944","0.001","90","","4489.2","0.4","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C97 H94 Cl3 N6 O7 Rh3 -","- C97 H94 Cl3 N6 O7 Rh3 -","- C194 H188 Cl6 N12 O14 Rh6 -","2","1","","Setsune, Jun-ichiro; Toda, Masayuki; Yoshida, Takafumi","Synthesis and dynamic structure of multinuclear Rh complexes of porphyrinoids.","Chemical communications (Cambridge, England)","2008","","12","1425","1427","10.1039/b717022j","","","0.71073","MoKα","","0.0497","0.0444","","","0.1077","0.1144","","","","","","1.03","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102989","9.9465","0.0007","9.9106","0.0007","36.05","0.003","90","","95.098","0.002","90","","3539.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","in_paper_2","","","- C70 H118 N6 O4 Zr2 -","- C70 H118 N6 O4 Zr2 -","- C140 H236 N12 O8 Zr4 -","2","1","","Gott, Andrew L; Clarke, Adam J; Clarkson, Guy J; Scott, Peter","Catalytic alkene cyclohydroamination via an imido mechanism.","Chemical communications (Cambridge, England)","2008","","12","1422","1424","10.1039/b718373a","","","0.71073","MoKα","","0.1033","0.0804","","","0.1649","0.1819","","","","","","1.105","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103013","7.43605","0.00022","17.3988","0.0005","7.29555","0.00021","90","","105.594","0.0025","90","","909.14","0.04","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Al2 Ca H10 O21 Si6 -","- Al2 Ca H10 O21 Si6 -","- Al4 Ca2 H20 O42 Si12 -","2","1","","Henry, Paul F; Weller, Mark T; Wilson, Chick C","Hydrogenous materials using powder neutron diffraction: full structural determination of adsorbed water molecules in a zeolite.","Chemical communications (Cambridge, England)","2008","","13","1557","1559","10.1039/b719464a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103035","15.8592","0.0008","6.07909","0.0003","14.6549","0.0009","90","","108.589","0.0019","90","","1339.16","0.17","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","theophylline - D-malic acid 1/1","theophylline - D-malic acid 1/1","","- C11 H14 N4 O7 -","- C11 H14 N4 O7 -","- C44 H56 N16 O28 -","4","2","","Friscić, Tomislav; Fábián, László; Burley, Jonathan C; Reid, David G; Duer, Melinda J; Jones, William","Exploring the relationship between cocrystal stability and symmetry: is Wallach's rule applicable to multi-component solids?","Chemical communications (Cambridge, England)","2008","","14","1644","1646","10.1039/b717532a","powder diffraction","x-ray","1.78892","CoKα","","","","","","","","0.04287","","1.38","","","","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103117","11.6887","0.0006","7.2477","0.0004","17.9172","0.0008","90","","93.701","0.002","90","","1514.71","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","2","","Schweinfurth, David; Hardcastle, Kenneth I; Bunz, Uwe H F","1,3-Dipolar cycloaddition of alkynes to azides. Construction of operationally functional metal responsive fluorophores.","Chemical communications (Cambridge, England)","2008","","19","2203","2205","10.1039/b800284c","","","1.54178","CuKα","","0.0283","0.0272","","","0.0733","0.0742","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103120","12.0906","0.0018","7.9338","0.0012","13.54","0.002","90","","116.257","0.002","90","","1164.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 B F4 N3 O -","- C22 H30 B F4 N3 O -","- C44 H60 B2 F8 N6 O2 -","2","1","","Li, Yi; Feng, Zhen; You, Shu-Li","D-Camphor-derived triazolium salts for catalytic intramolecular crossed aldehyde-ketone benzoin reactions.","Chemical communications (Cambridge, England)","2008","","19","2263","2265","10.1039/b801004h","","","0.71073","MoKα","","0.0821","0.0626","","","0.1517","0.1626","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103164","12.1914","0.0014","4.6342","0.0006","17.341","0.002","90","","107.849","0.005","90","","932.57","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","1","","Piepenbrock, Marc-Oliver M; Lloyd, Gareth O; Clarke, Nigel; Steed, Jonathan W","Gelation is crucially dependent on functional group orientation and may be tuned by anion binding.","Chemical communications (Cambridge, England)","2008","","23","2644","2646","10.1039/b804259d","","","0.71073","MoKα","","0.1602","0.0972","","","0.2219","0.2549","","","","","","0.896","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103166","12.317","0.002","4.6108","0.0008","19.488","0.003","90","","107.519","0.004","90","","1055.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C46 H64 N8 O4 -","2","1","","Piepenbrock, Marc-Oliver M; Lloyd, Gareth O; Clarke, Nigel; Steed, Jonathan W","Gelation is crucially dependent on functional group orientation and may be tuned by anion binding.","Chemical communications (Cambridge, England)","2008","","23","2644","2646","10.1039/b804259d","","","0.71073","MoKα","","0.104","0.0624","","","0.1354","0.1628","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103184","24.8064","0.0004","20.5004","0.0003","30.7944","0.0005","90","","94.643","0.001","90","","15608.8","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C260 H298 F24 N8 O134 P4 -","- C260 H446 F24 N8 O134 P4 -","- C520 H892 F48 N16 O268 P8 -","2","1","","Yau, C M Simon; Pascu, Sofia I; Odom, Susan A; Warren, John E; Klotz, Eric J F; Frampton, Michael J; Williams, Charlotte C; Coropceanu, Veaceslav; Kuimova, Marina K; Phillips, David; Barlow, Stephen; Brédas, Jean-Luc; Marder, Seth R; Millar, Val; Anderson, Harry L","Stabilisation of a heptamethine cyanine dye by rotaxane encapsulation.","Chemical communications (Cambridge, England)","2008","","25","2897","2899","10.1039/b802728e","","","0.6814","synchrotron","","0.2311","0.1752","","0.2309","0.1892","0.1892","","","","","","1.0689","","","","has coordinates,has disorder","180133","2020-10-21","18:00:00",""
"7103211","10.9205","0.0018","18.729","0.003","11.286","0.0018","90","","97.988","0.003","90","","2285.9","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H74 K2 O4 Si4 -","- C36 H74 K2 O4 Si4 -","- C72 H148 K4 O8 Si8 -","2","1","","Solomon, Sophia A; Muryn, Christopher A; Layfield, Richard A","s-Block metal complexes of a bulky, donor-functionalized allyl ligand.","Chemical communications (Cambridge, England)","2008","","27","3142","3144","10.1039/b803364a","","","0.71073","MoKα","","0.0615","0.0501","","","0.1176","0.1239","","","","","","1.036","","","","has coordinates,has disorder","180134","2020-10-21","18:00:00",""
"7103261","9.9274","0.0006","9.4363","0.0007","12.4041","0.0008","90","","107.452","0.003","90","","1108.5","0.13","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 O6 -","- C27 H26 O6 -","- C54 H52 O12 -","2","1","","Liu, Xinyu; Wada, Reiko; Boonyarattanakalin, Siwarutt; Castagner, Bastien; Seeberger, Peter H","Automated synthesis of lipomannan backbone alpha(1-6) oligomannoside via glycosyl phosphates: glycosyl tricyclic orthoesters revisited.","Chemical communications (Cambridge, England)","2008","","30","3510","3512","10.1039/b804069a","","","0.7107","MoKα","","0.0474","0.0405","","","0.0971","0.1027","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103266","5.1511","0.0003","8.8875","0.0005","13.8985","0.001","90","","95.959","0.003","90","","632.84","0.07","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Adibekian, Alexander; Timmer, Mattie S M; Stallforth, Pierre; van Rijn, Jimmy; Werz, Daniel B; Seeberger, Peter H","Stereocontrolled synthesis of fully functionalized D-glucosamine monosaccharides via a domino nitro-Michael/Henry reaction.","Chemical communications (Cambridge, England)","2008","","30","3549","3551","10.1039/b805159c","","","0.7107","MoKα","","0.0486","0.0419","","","0.1025","0.109","","","","","","1.041","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103274","14.0828","0.0009","28.2518","0.0018","21.4518","0.0014","90","","93.56","0.001","90","","8518.4","0.9","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","CompoundD","","","- C126 H60 Br12 N6 O24 Zn6 -","- C126 H60 Br12 N6 O24 Zn6 -","- C252 H120 Br24 N12 O48 Zn12 -","2","1","","Gadzikwa, Tendai; Zeng, Bi-Shun; Hupp, Joseph T; Nguyen, Sonbinh T","Ligand-elaboration as a strategy for engendering structural diversity in porous metal-organic framework compounds.","Chemical communications (Cambridge, England)","2008","","31","3672","3674","10.1039/b714160b","","","0.71073","MoKα","","0.0987","0.0656","","","0.1673","0.1792","","","","","","0.913","","","","has coordinates,has disorder","180134","2020-10-21","18:00:00",""
"7103282","8.3023","0.0011","12.2795","0.0017","15.354","0.002","90","","93.718","0.002","90","","1562.1","0.4","160","2","160","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H51 Co N2 O3 P2 Si -","- C25 H51 Co N2 O3 P2 Si -","- C50 H102 Co2 N4 O6 P4 Si2 -","2","1","","Chomitz, Wayne A; Arnold, John","Reactivity of a Co(i) [N(2)P(2)] complex with azides: evidence for a transient Co(iii) imido species.","Chemical communications (Cambridge, England)","2008","","31","3648","3650","10.1039/b804754e","","","0.71073","MoKα","","0.0535","0.0417","","","0.0889","0.093","","","","","","0.936","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103289","6.41237","0.00012","7.6149","0.00014","20.4737","0.0004","90","","96.705","0.001","90","","992.88","0.03","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-5a-Methyl-2-(toluene-4-sulfonyl)-1,2,3,3a,4,5,5a,6- octahydro-7-oxa-2-aza-cyclopenta(c)phenanthrene","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C46 H50 N2 O6 S2 -","2","1","","Sagae, Hiromi; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Rhodium-catalyzed enantio- and diastereoselective intramolecular [2 + 2 + 2] cycloaddition of unsymmetrical dienynes.","Chemical communications (Cambridge, England)","2008","","32","3804","3806","10.1039/b804294b","","","1.54187","CuKα","","0.0288","0.0278","","","0.0719","0.075","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103318","7.0375","0.0014","11.004","0.002","9.6494","0.0019","90","","102.95","0.03","90","","728.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C30 H44 O10 -","2","1","","Fyvie, W Sean; Peczuh, Mark W","Remote induction of asymmetry in [13]-macro-dilactone topology by a single stereogenic center.","Chemical communications (Cambridge, England)","2008","","34","4028","4030","10.1039/b807562j","","","0.71073","MoKα","","0.113","0.0507","","","0.0811","0.0956","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103342","14.1975","0.0007","13.6185","0.0007","18.9091","0.001","90","","96.379","0.001","90","","3633.4","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C63 H104 N4 O14 P2 S2 -","- C63 H104 N4 O14 P2 S2 -","- C126 H208 N8 O28 P4 S4 -","2","1","","Wilt, Jeremy C; Pink, Maren; Johnston, Jeffrey N","A diastereo- and enantioselective synthesis of alpha-substituted anti-alpha,beta-diaminophosphonic acid derivatives.","Chemical communications (Cambridge, England)","2008","","35","4177","4179","10.1039/b808393b","","","0.71073","MoKα","","0.0642","0.0521","","","0.1364","0.1462","","","","","","1.033","","","","has coordinates,has disorder","180136","2020-10-21","18:00:00",""
"7103386","14.955","0.001","27.472","0.001","31.536","0.003","90","","100.57","0.01","90","","12736.5","1.6","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C217 H234 F24 N16 O55 P8 Pt4 S8 -","- C217 H234 F24 N16 O55 P8 Pt4 S8 -","- C434 H468 F48 N32 O110 P16 Pt8 S16 -","2","1","","Rang, Alexander; Nieger, Martin; Engeser, Marianne; Lützen, Arne; Schalley, Christoph A","Self-assembling squares with amino acid-decorated bipyridines: heterochiral self-sorting of dynamically interconverting diastereomers.","Chemical communications (Cambridge, England)","2008","","39","4789","4791","10.1039/b806916f","","","0.71073","MoKα","","0.0902","0.076","","","0.1929","0.206","","","","","","1.074","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103437","7.7541","0.0005","35.144","0.002","8.9281","0.0006","90","","101.221","0.001","90","","2386.5","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 Fe N3 O2 S -","- C26 H25 Fe N3 O2 S -","- C104 H100 Fe4 N12 O8 S4 -","4","2","","Joly, Kévin M; Wilson, Claire; Blake, Alexander J; Tucker, James H R; Moody, Christopher J","Competition between planar and central chiral control elements in nucleophilic addition to ferrocenyl imine derivatives.","Chemical communications (Cambridge, England)","2008","","41","5191","5193","10.1039/b808045c","","","0.71073","MoKα","","0.0452","0.0414","","","0.1034","0.1064","","","","","","1.026","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103471","7.5836","0.0015","5.7612","0.0012","13.331","0.003","90","","102.73","0.03","90","","568.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C26 H24 O10 -","2","1","","Fabra, María J; Fraile, José M; Herrerías, Clara I; Lahoz, Fernando J; Mayoral, José A; Pérez, Ignacio","Surface-enhanced stereoselectivity in Mukaiyama aldol reactions catalyzed by clay-supported bis(oxazoline)-copper complexes.","Chemical communications (Cambridge, England)","2008","","42","5402","5404","10.1039/b809956a","","","1.54178","CuKα","","0.0355","0.0316","","","0.0815","0.0841","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103474","8.5952","0.0004","23.5395","0.001","8.7614","0.0004","90","","111.232","0.001","90","","1652.34","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 I N O -","- C16 H22 I N O -","- C64 H88 I4 N4 O4 -","4","2","","Lauru, Stephanie; Simpkins, Nigel S; Gethin, David; Wilson, Claire","Enantioselective synthesis of cyclopropylcarboxamides using s-BuLi-sparteine-mediated metallation.","Chemical communications (Cambridge, England)","2008","","42","5390","5392","10.1039/b810441g","","","0.71073","MoKα","","0.0175","0.0174","","","0.0457","0.0459","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103475","16.37","0.006","11.336","0.007","17.169","0.006","90","","112.33","0.04","90","","2947","3","294","","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H35 B2 N O P2 -","- C29 H35 B2 N O P2 -","- C116 H140 B8 N4 O4 P8 -","4","2","","Vinokurov, Nikolai; Pietrusiewicz, K Michał; Frynas, Sławomir; Wiebcke, Michael; Butenschön, Holger","Asymmetric 1,3-dipolar cycloaddition with a P-stereogenic dipolarophile: an efficient approach to novel P-stereogenic 1,2-diphosphine systems.","Chemical communications (Cambridge, England)","2008","","42","5408","5410","10.1039/b810573a","","","0.71073","MoKα","","0.094","0.0422","","","0.0537","0.0608","","","","","","0.768","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103510","8.7994","0.0006","53.888","0.003","8.8039","0.0006","90","","90.111","0.002","90","","4174.6","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 N6 O14 Zn2 -","- C31.0675 H39.1575 N5.0225 O13.0225 Zn2 -","- C124.27 H156.63 N20.09 O52.09 Zn8 -","4","2","","Sbircea, Lenuta; Sharma, Narain D; Clegg, William; Harrington, Ross W; Horton, Peter N; Hursthouse, Michael B; Apperley, David C; Boyd, Derek R; James, Stuart L","Chemoenzymatic synthesis of chiral 4,4'-bipyridyls and their metal-organic frameworks.","Chemical communications (Cambridge, England)","2008","","43","5538","5540","10.1039/b812366g","","","0.6893","synchrotron","","0.0595","0.0585","","","0.1503","0.1514","","","","","","1.063","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103520","10.113","0.005","7.73","0.004","13.915","0.007","90","","93.646","0.008","90","","1085.6","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Boyd, Derek R; Sharma, Narain D; Sbircea, Lenuta; Murphy, Deirdre; Belhocine, Tayeb; Malone, John F; James, Stuart L; Allen, Christopher C R; Hamilton, John T G","Azaarene cis-dihydrodiol-derived 2,2'-bipyridine ligands for asymmetric allylic oxidation and cyclopropanation.","Chemical communications (Cambridge, England)","2008","","43","5535","5537","10.1039/b814678k","","","0.71073","MoKα","","0.08","0.0449","","","0.1042","0.1321","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103522","10.103","0.004","7.746","0.002","13.929","0.004","90","","93.59","0.02","90","","1088","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Boyd, Derek R; Sharma, Narain D; Sbircea, Lenuta; Murphy, Deirdre; Belhocine, Tayeb; Malone, John F; James, Stuart L; Allen, Christopher C R; Hamilton, John T G","Azaarene cis-dihydrodiol-derived 2,2'-bipyridine ligands for asymmetric allylic oxidation and cyclopropanation.","Chemical communications (Cambridge, England)","2008","","43","5535","5537","10.1039/b814678k","","","0.71073","MoKα","","0.1029","0.0577","","","0.1425","0.1679","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103534","12.317","0.003","7.763","0.002","15.223","0.003","90","","93.07","0.03","90","","1453.6","0.6","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H14 Bi2 I8 N2 O4 S2 -","- C6 H14 Bi2 I8 N2 O4 S2 -","- C12 H28 Bi4 I16 N4 O8 S4 -","2","1","","Bi, Wenhua; Mercier, Nicolas","Reversible dynamic isomerism change in the solid state, from Bi(4)I(16) clusters to BiI(4) 1D chains in l-cystine based hybrids: templating effect of cations in iodobismuthate network formation.","Chemical communications (Cambridge, England)","2008","","44","5743","5745","10.1039/b812588k","","","0.71073","MoKα","","0.077","0.044","","","0.072","0.082","","","","","","1.068","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103535","11.28","0.002","20.396","0.004","14.375","0.003","90","","101.79","0.03","90","","3237.4","1.1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H40 Bi4 I16 N4 O14 S4 -","- C12 H28 Bi4 I16 N4 O14 S4 -","- C24 H56 Bi8 I32 N8 O28 S8 -","2","1","","Bi, Wenhua; Mercier, Nicolas","Reversible dynamic isomerism change in the solid state, from Bi(4)I(16) clusters to BiI(4) 1D chains in l-cystine based hybrids: templating effect of cations in iodobismuthate network formation.","Chemical communications (Cambridge, England)","2008","","44","5743","5745","10.1039/b812588k","","","0.71073","MoKα","","0.0716","0.038","","","0.046","0.054","","","","","","1.059","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103547","9.577","0.007","8.241","0.005","9.836","0.007","90","","116.656","0.004","90","","693.8","0.8","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 F N6 O7 -","- C10 H12 F N6 O7 -","- C20 H24 F2 N12 O14 -","2","1","","Saito, Yohei; Taguchi, Hirobumi; Fujii, Shigemoto; Sawa, Tomohiro; Kida, Eriko; Kabuto, Chizuko; Akaike, Takaaki; Arimoto, Hirokazu","8-Nitroguanosines as chemical probes of the protein S-guanylation.","Chemical communications (Cambridge, England)","2008","","45","5984","5986","10.1039/b810771h","","","0.7107","MoKα","","","0.0453","","","","0.0561","","","","","","0.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103565","8.8105","0.0013","9.4689","0.0013","12.1148","0.0017","90","","103.853","0.002","90","","981.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Shi, Min; Qi, Ming-Juan; Liu, Xu-Guang","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction (aza-MBH): an interesting functional group-caused reversal of asymmetric induction.","Chemical communications (Cambridge, England)","2008","","45","6025","6027","10.1039/b814500h","","","0.71073","MoKα","","0.0727","0.0636","","","0.1529","0.158","","","","","","0.977","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103590","20.845","0.001","13.503","0.005","22.01","0.001","90","","116.196","0.007","90","","5559","2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C96 H116 Cu4 N8 O30 P8 -","- C96 H88 Cu4 N8 O30 P8 -","- C192 H176 Cu8 N16 O60 P16 -","2","1","","Bataille, Thierry; Costantino, Ferdinando; Ienco, Andrea; Guerri, Annalisa; Marmottini, Fabio; Midollini, Stefano","A snapshot of a coordination polymer self-assembly process: the crystallization of a metastable 3D network followed by the spontaneous transformation in water to a 2D pseudopolymorphic phase.","Chemical communications (Cambridge, England)","2008","","47","6381","6383","10.1039/b813222d","","","0.71069","MoKα","","0.1306","0.084","","","0.1781","0.2068","","","","","","1.1","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103620","13.833","0.003","15.047","0.003","17.264","0.004","90","","92.105","0.005","90","","3591.1","1.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H94 N0 O7 P4 Pt2 -","- C76 H92 O7 P4 Pt2 -","- C152 H184 O14 P8 Pt4 -","2","1","","Jiang, Hua; Hu, Aiguo; Lin, Wenbin","A chiral metallacyclophane for asymmetric catalysis","Chemical Communications (Cambridge, United Kingdom)","2003","","1","96","97","10.1039/b208324h","","","0.71073","MoKα","","0.0666","0.0497","","","0.1046","0.1109","","","","","","1.025","","","","has coordinates","210412","2020-10-21","18:00:00",""
"7103653","12.2245","0.001","16.6665","0.001","13.3653","0.0013","90","","90.08","0.01","90","","2723","0.4","180","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C29 H32 P2 S2 -","- C29 H32 P2 S2 -","- C116 H128 P8 S8 -","4","2","","C.Ortega-Alfaro; M.Gouygou; J.-C.Daran","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b301613g","","x-ray","0.7093","","","0.041","0.0377","","","0.0834","0.0862","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103654","9.1318","0.0007","12.1101","0.0011","14.1276","0.001","90","","104.042","0.008","90","","1515.6","0.2","180","2","180","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl4 P2 Pd -","- C30 H34 Cl4 P2 Pd -","- C60 H68 Cl8 P4 Pd2 -","2","1","","C.Ortega-Alfaro; M.Gouygou; J.-C.Daran","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b301613g","","x-ray","0.71073","MoKα","","0.0255","0.0219","","","0.0487","0.0497","","","","","","0.981","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103667","6.845","0.0002","18.2841","0.0004","21.2222","0.0006","90","","97.038","0.005","90","","2636","0.1","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Fe N10 O -","- C25 H28 Fe N10 O -","- C100 H112 Fe4 N40 O4 -","4","2","","Ferlay, Sylvie; Holakovsky, Roman; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Charge assisted chiral hybrid H-bonded molecular networks","Chemical Communications (Cambridge, United Kingdom)","2003","","11","1224","1225","10.1039/b301467n","","","0.71073","Mo-Kα","","0.122","0.035","","0.125","","0.037","","","4.001","","","1.089","","","","has coordinates","210464","2020-10-21","18:00:00",""
"7103668","6.8414","0.0002","18.2099","0.0005","21.0634","0.0006","90","","97.29","0.005","90","","2602.9","0.1","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Fe N10 O -","- C25 H28 Fe N10 O -","- C100 H112 Fe4 N40 O4 -","4","2","","Ferlay, Sylvie; Holakovsky, Roman; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Charge assisted chiral hybrid H-bonded molecular networks","Chemical Communications (Cambridge, United Kingdom)","2003","","11","1224","1225","10.1039/b301467n","","","0.71073","Mo-Kα","","0.175","0.045","","0.382","","0.048","","","9.817","","","1.017","","","","has coordinates","210464","2020-10-21","18:00:00",""
"7103725","14.8038","0.0001","26.8171","0.0001","21.9026","0.0001","90","","92.039","0.001","90","","8689.72","0.08","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","Poly-(dipicolylglycyl-S-phenylalanine-zinc(ii) trifluormethanesulfonate)","Poly-(dipicolylglycyl-S-phenylalanine- zinc(II) trifluormethanesulfonate)","","- C24 H28.67 F3 N4 O8.83 S Zn -","- C24 H23 F3 N4 O8.83333 S Zn -","- C288 H276 F36 N48 O106 S12 Zn12 -","12","6","","Niklas, Nicole; Hampel, Frank; Alsfasser, Ralf","Dipicolylglycyl-phenylalanine zinc(II): a metallopeptide with a built-in conformational switch and its homochiral helical coordination polymer","Chemical Communications (Cambridge, United Kingdom)","2003","","13","1586","1587","10.1039/b303172a","","","0.71073","MoKα","","0.0986","0.082","","","0.2185","0.2283","","","","","","1.725","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103727","7.8232","0.0015","8.2488","0.0016","15.889","0.003","90","","93.311","0.003","90","","1023.7","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Caig I Turner; Rachel M. Williamson; Peter Turner; Michael S. Sherburn","The domino intramolecular Diels-Alder approach to 16-oxasteroids","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303362g","","","0.71073","MoKα","","0.0485","0.0354","","","0.0621","0.0641","","","","","","1.295","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103728","5.565","0.003","11.204","0.007","16.075","0.01","90","","90.682","0.01","90","","1002.2","1","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Caig I Turner; Rachel M. Williamson; Peter Turner; Michael S. Sherburn","The domino intramolecular Diels-Alder approach to 16-oxasteroids","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303362g","","","0.71073","MoKα","","0.0402","0.0349","","","0.0851","0.0876","","","","","","1.19","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103730","9.246","0.004","20.531","0.009","11.864","0.005","90","","96.985","0.008","90","","2235.4","1.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1,10-phenanthroline)(methanol)(L-methioninato)copper(II)monoperchlorate","","- C18 H22 Cl Cu N3 O7 S -","- C18 H22 Cl Cu N3 O7 S -","- C72 H88 Cl4 Cu4 N12 O28 S4 -","4","2","","Patra, Ashis K.; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Visible light-induced nuclease activity of a ternary mono-phenanthroline copper(II) complex containing L-methionine as a photosensitizer","Chemical Communications (Cambridge, United Kingdom)","2003","","13","1562","1563","10.1039/b303442a","","","0.71073","MoKα","","0.0872","0.0534","","","0.1329","0.1574","","","","","","0.947","","","","has coordinates","210649","2020-10-21","18:00:00",""
"7103751","7.905","0.002","8.231","0.002","8.659","0.003","90","","98.557","0.006","90","","557.1","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O3 S -","- C10 H8 F3 N O3 S -","- C20 H16 F6 N2 O6 S2 -","2","1","","Guy Bertrand; Vincent Lavallo; Vadim D. Romanenko; Fook S. Tham; Claire Thoumazet","Synthesis and Reactivity of a Stable Crystalline Diastereomerically Pure Trifluoromethanesulfinic Acid Derivative: (S)-(-)-1-Trifluoromethyls ulfinyl-(R)-4-phenyloxazolidin-2-one","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303574c","","","0.71073","MoKα","","0.0294","0.0284","","","0.0742","0.0757","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103755","13.773","0.003","10.194","0.002","13.787","0.003","90","","104.086","0.003","90","","1877.5","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H50 K2 N4 O2 -","- C39 H50 K2 N4 O2 -","- C78 H100 K4 N8 O4 -","2","1","","Jason Love; Alexander J. Blake; Peter B. Hitchcock; Andrew Novak; Stuart D. Reid; Claire Wilson","The syntheses and structures of Group 1 expanded dipyrrolides: the formation of a 12-rung amidolithium circular ladder","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303611a","","","0.71073","MoKα","","0.1148","0.0689","","","0.1429","0.1672","","","","","","1.046","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7103820","10.3788","0.0009","6.4952","0.0007","16.451","0.002","90","","92.587","0.008","90","","1107.9","0.2","298","2","298","2","","","","","","","chemical synthesys","4","P 1 21 1","P 2yb","4","","N-Methyl-N-(3,7,7-trimethyl-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydro-2H -chromen-3-yl)-benzamide","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C52 H54 N2 O8 -","2","1","","Grassi, Giovanni; Risitano, Francesco; Foti, Francesco; Cordaro, Massimiliano; Bruno, Giuseppe; Nicolò, Francesco","Regio and diastereoselective lactonisation of enolisable 1,3-dicarbonyls by reaction with mesoionic 1,3-oxazolium-5-olates","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1868","1869","10.1039/b304560a","","","0.71073","MoKα","","0.0638","0.0409","","","0.0842","0.0961","","","","","","1.048","","","","has coordinates","210661","2020-10-21","18:00:00",""
"7103853","8.8818","0.0018","8.5242","0.0017","13.488","0.003","90","","103.36","0.03","90","","993.6","0.3","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C42 H44 O16 -","2","1","","Liu, Hong-Min; Zhang, Fuyi; Zou, Da-Peng","Stereoselective synthesis of 2,2-bis(C-branched-chain)glucopyranosid-3-ulose via an autoxidation‒Michael addition reaction","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2044","2045","10.1039/b306227a","","","0.71073","MoKα","","0.0632","0.0517","","","0.1118","0.1171","","","","","","1.081","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103856","10.847","0.003","6.58","0.002","8.505","0.002","90","","105.76","0.02","90","","584.2","0.3","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","N-(2,5-dimethylphenyl)monothiosuccinimide","","","- C12 H13 N O S -","- C12 H13 N O S -","- C24 H26 N2 O2 S2 -","2","1","","Masami Sakamoto; Tsutomu Fujita; Takashi Mino; Tomoko Ohtake; Ayako Saitoh; Masaki Shigekura","Diastereoselective Photocycloaddition of Axially Chiral Monothiosuccinimides to 1,1-Diphenylethylene","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b304435a","","","1.54178","CuKα","","0.049","0.048","","0.135","0.135","0.135","","","1.188","0.989","0.989","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7103888","9.7552","0.0009","35.599","0.004","8.84","0.002","90","","92.12","0.01","90","","3067.9","0.6","298.2","","298.2","","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C42 H41 Cl5 Ga S24 -","- C42 H41 Cl5 Ga S24 -","- C84 H82 Cl10 Ga2 S48 -","2","1","","Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi; Choi, Eun S.; Graf, David; Brooks, James S.","A new organic superconductor, β-(BDA-TTP)2GaCl4 [BDA-TTP = 2,5-(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2230","2231","10.1039/b306314c","","","0.7107","MoKα","","0.0624","0.062","","0.054","","0.054","","","1.633","","","1.63","","","","has coordinates","209729","2020-10-21","18:00:00",""
"7103902","15.189","0.003","15.191","0.003","20.048","0.004","90","","90.41","0.03","90","","4625.8","1.6","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H70.5 B4 Cu4 F16 N27.5 O8 -","- C79 H70.5 B4 Cu4 F16 N27.5 O8 -","- C158 H141 B8 Cu8 F32 N55 O16 -","2","1","","Hausmann, Julia; Jameson, Geoffrey B.; Brooker, Sally","Control of molecular architecture by the degree of deprotonation: self-assembled di- and tetranuclear copper(II) complexes of N,N'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide","Chemical Communications (Cambridge, United Kingdom)","2003","","24","2992","2993","10.1039/b308263f","","","0.71073","MoKα","","0.1025","0.08","","","0.1952","0.2204","","","","","","1.025","","","","has coordinates,has disorder","210534","2020-10-21","18:00:00",""
"7103909","9.1028","0.001","17.066","0.002","16.602","0.002","90","","92.344","0.002","90","","2576.9","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(dppe)Ni('S,S')Ni(L)](PF6)2","","- C39 H50 Cl6 F12 N2 Ni2 P4 S2 -","- C39 H50 Cl6 F12 N2 Ni2 P4 S2 -","- C78 H100 Cl12 F24 N4 Ni4 P8 S4 -","2","1","","Wang, Qiang; Blake, Alexander J.; Davies, E. Stephen; McInnes, Eric J. L.; Wilson, Claire; Schröder, Martin","Structure and electronic properties of an asymmetric thiolate-bridged binuclear complex: a model for the active site of acetyl CoA synthase","Chemical Communications (Cambridge, United Kingdom)","2003","","24","3012","3013","10.1039/b310183e","","","0.71073","MoKα","","0.0473","0.0436","","","0.1108","0.1147","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7103919","8.972","0.004","6.264","0.002","12.19","0.004","90","","101","0.04","90","","672.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C28 H40 O10 -","2","1","","Francois Carreaux; B. Carboni; Michael Deligny; G. Dujardin","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b208572k","","","0.71069","MoKα","","0.0403","0.0338","","","0.089","0.093","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103979","11.2208","0.0005","21.5041","0.0009","11.8126","0.0005","90","","111.268","0.001","90","","2656.2","0.2","178","2","178","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H78 Cl2 Mn N6 O24 V6 -","- C36 H68 Cl2 Mn N6 O24 V6 -","- C72 H136 Cl4 Mn2 N12 O48 V12 -","2","1","","Khan, M. Ishaque; Tabussum, Saadia; Doedens, Robert J.","A novel cationic heteropolyoxovanadium(IV) cluster functionalized with organic ligands: synthesis and characterization of the fully reduced species [MnIIVIV6O6{(OCH2CH2)2N(CH2CH2OH)}6]Cl2","Chemical Communications (Cambridge, United Kingdom)","2003","","4","532","533","10.1039/b211195k","","","0.71073","MoKα","","0.0786","0.0478","","","0.1086","0.1227","","","","","","1.024","","","","has coordinates","210532","2020-10-21","18:00:00",""
"7103992","10.131","0.002","20.904","0.004","12.459","0.002","90","","92.53","0.03","90","","2636","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N3 O7 -","- C26 H35 N3 O7 -","- C104 H140 N12 O28 -","4","2","","Hebach, Christina; Kazmaier, Uli","Via Ugi reactions to conformationally fixed cyclic peptides","Chemical Communications (Cambridge, United Kingdom)","2003","","5","596","597","10.1039/b210952b","","","0.71073","MoKα","","0.0439","0.0359","","","0.0845","0.0883","","","","","","1.008","","","","has coordinates","210765","2020-10-21","18:00:00",""
"7103999","11.1217","0.0003","17.0324","0.0004","11.557","0.0003","90","","102.118","0.005","90","","2140.45","0.09","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H44 Cr2 N4 O6 Pd2 -","- C48 H44 Cr2 N4 O6 Pd2 -","- C96 H88 Cr4 N8 O12 Pd4 -","2","1","","Djukic, Jean-Pierre; Alexsandro, Berger; Andre de, Cian; Nathalie, Kyritsakas-Gruber; Jerome, Lacour; Michel, Pfeffer; Laurent, Vial","Novel heteroleptic cis-(C-N)2Pd(II) chelates for the preparation of enantiopure planar chiral cyclopalladated 2-[tricarbonyl(eta6-phenyl)chromium]pyridine","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b211873d","","","0.71073","Mo-Kα","","0.058","0.03","","0.153","","0.046","","","4.048","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104000","11.1267","0.0002","17.0317","0.0003","11.5572","0.0002","90","","102.14","0.005","90","","2141.19","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H44 Cr2 N4 O6 Pd2 -","- C48 H44 Cr2 N4 O6 Pd2 -","- C96 H88 Cr4 N8 O12 Pd4 -","2","1","","Djukic, Jean-Pierre; Alexsandro, Berger; Andre de, Cian; Nathalie, Kyritsakas-Gruber; Jerome, Lacour; Michel, Pfeffer; Laurent, Vial","Novel heteroleptic cis-(C-N)2Pd(II) chelates for the preparation of enantiopure planar chiral cyclopalladated 2-[tricarbonyl(eta6-phenyl)chromium]pyridine","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b211873d","","","0.71073","Mo-Kα","","0.032","0.023","","0.279","","0.028","","","9.351","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104001","6.4747","0.0002","12.4324","0.0003","14.0935","0.0005","90","","96.103","0.005","90","","1128.04","0.06","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl3 Cr N2 O3 Pd -","- C20 H13 Cl3 Cr N2 O3 Pd -","- C40 H26 Cl6 Cr2 N4 O6 Pd2 -","2","1","","Djukic, Jean-Pierre; Alexsandro, Berger; Andre de, Cian; Nathalie, Kyritsakas-Gruber; Jerome, Lacour; Michel, Pfeffer; Laurent, Vial","Novel heteroleptic cis-(C-N)2Pd(II) chelates for the preparation of enantiopure planar chiral cyclopalladated 2-[tricarbonyl(eta6-phenyl)chromium]pyridine","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b211873d","","","0.71073","Mo-Kα","","0.049","0.04","","0.663","","0.057","","","13.275","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104012","16.391","0.002","16.515","0.002","18.416","0.002","90","","103.902","0.002","90","","4839.2","1.1","106","2","106","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C86 H142 Cl N11 Ni4 O12 S8 -","- C86 H142 Cl N11 Ni4 O12 S8 -","- C172 H284 Cl2 N22 Ni8 O24 S16 -","2","1","","Meyer, Franc; Kircher, Peter; Pritzkow, Hans","Tetranuclear nickel(II) complexes with genuine μ3-1,1,3 and μ4-1,1,3,3 azide bridges","Chemical Communications (Cambridge, United Kingdom)","2003","","6","774","775","10.1039/b211486k","","","0.71073","MoKα","","0.0742","0.0509","","","0.1216","0.1346","","","","","","1.036","","","","has coordinates","210641","2020-10-21","18:00:00",""
"7104079","6.378","0.001","19.449","0.005","11.752","0.003","90","","103","0.02","90","","1420.4","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1R-(1,2,3,4/5)-1,5-di-O-benzoyl-4-O-tert-Butyldimethylsilyl- 2,3-O-isopropylidene-cyclopentane-1,2,3,4,5-pentol","1R-(1,2,3,4/5)-1,5-di-O-benzoyl-4-O-tert- Butyldimethylsilyl-2,3-O- isopropylidene-cyclopentane-1,2,3,4,5-pentol","","- C28 H36 O7 Si -","- C28 H36 O7 Si -","- C56 H72 O14 Si2 -","2","1","","Hu, Guixian; Zimmermann, Martin; Ramana, Chepuri Venkata; Vasella, Andrea","Cyclopentanes from N-amino-glyconolactams. A synthesis of mannostatin A","Chemical Communications (Cambridge, United Kingdom)","2003","","8","952","953","10.1039/b301213a","","","1.54184","CuKα","","0.0863","0.0509","","","0.1418","0.1632","","","","","","1.285","","","","has coordinates","210625","2020-10-21","18:00:00",""
"7104096","11.3742","0.0007","22.3554","0.0014","14.5873","0.0009","90","","104.626","0.001","90","","3589","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H87 Cl6 Co3 N11 O5 -","- C66 H85 Cl6 Co3 N11 O5 -","- C132 H170 Cl12 Co6 N22 O10 -","2","1","","Telfer, Shane G.; Kuroda, Reiko; Sato, Tomohiro","Stereoselective formation of dinuclear complexes with anomalous CD spectra","Chemical Communications (Cambridge, United Kingdom)","2003","","9","1064","1065","10.1039/b301267k","","","0.71073","MoKα","","0.0349","0.0327","","","0.0785","0.0793","","","","","","0.992","","","","has coordinates,has disorder","210764","2020-10-21","18:00:00",""
"7104127","19.3219","0.0002","17.7292","0.0002","29.0445","0.0003","90","","96.6182","0.0004","90","","9883.24","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H73 B F24 P3 Rh -","- C59 H73 B F24 P3 Rh -","- C354 H438 B6 F144 P18 Rh6 -","6","3","","Chaplin, Adrian B; Poblador-Bahamonde, Amalia I; Sparkes, Hazel A; Howard, Judith A K; Macgregor, Stuart A; Weller, Andrew S","Alkyl dehydrogenation in a Rh(I) complex via an isolated agostic intermediate.","Chemical communications (Cambridge, England)","2008","34","2","244","246","10.1039/b816739g","","","0.71073","MoKα","","0.078","0.0506","","","0.0882","0.099","","","","","","1.043","","","","has coordinates,has disorder","180144","2020-10-21","18:00:00",""
"7104129","8.9543","0.0001","13.3217","0.0002","10.5371","0.0001","90","","110.195","0.001","90","","1179.66","0.02","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Co2 N2 O9 -","- C22 H23 Co2 N2 O9 -","- C44 H46 Co4 N4 O18 -","2","1","","Zhang, Jian; Bu, Xianhui","Absolute helicity induction in three-dimensional homochiral frameworks.","Chemical communications (Cambridge, England)","2008","34","2","206","208","10.1039/b816742g","","","0.71073","MoKα","","0.0495","0.0406","","","0.09","0.0935","","","","","","0.95","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104130","8.9412","0.0001","13.2661","0.0002","10.5045","0.0002","90","","110.289","0.001","90","","1168.68","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Co2 N2 O9 -","- C22 H24 Co2 N2 O9 -","- C44 H48 Co4 N4 O18 -","2","1","","Zhang, Jian; Bu, Xianhui","Absolute helicity induction in three-dimensional homochiral frameworks.","Chemical communications (Cambridge, England)","2008","34","2","206","208","10.1039/b816742g","","","0.71073","MoKα","","0.046","0.0394","","","0.1082","0.1151","","","","","","1.157","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104159","6.5376","0.0003","6.4529","0.0003","14.5419","0.0005","90","","97.292","0.002","90","","608.51","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Cl O2 -","- C14 H15 Cl O2 -","- C28 H30 Cl2 O4 -","2","1","","Bella, Marco; Schietroma, Daniele M Scarpino; Cusella, Pier Paolo; Gasperi, Tecla; Visca, Valerio","Synergic asymmetric organocatalysis (SAOc) of Cinchona alkaloids and secondary amines in the synthesis of bicyclo[2.2.2]octan-2-ones.","Chemical communications (Cambridge, England)","2009","34","5","597","599","10.1039/b816550e","","x-ray","0.71073","MoKα","","0.0374","0.0344","","","0.0852","0.0866","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104166","10.4899","0.0019","11.433","0.002","11.813","0.002","90","","100.702","0.004","90","","1392","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C60 H64 O12 S4 -","4","2","","Ding, Zhenhua; Yang, Jin; Wang, Ting; Shen, Zongxuan; Zhang, Yawen","Dynamic kinetic resolution of β-keto sulfones via asymmetric transfer hydrogenation","Chemical Communications (Cambridge, United Kingdom)","2009","","5","571","573","10.1039/b818257d","","","0.7107","MoKα","","0.0655","0.051","","","0.1009","0.1081","","","","","","1.085","","","","has coordinates","211020","2020-10-21","18:00:00",""
"7104176","5.7405","0.0004","16.97","0.0012","20.3563","0.0013","90","","93.73","0.004","90","","1978.8","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O4 -","- C23 H18 Cl N O4 -","- C92 H72 Cl4 N4 O16 -","4","2","","Tan, Bin; Zhang, Xuan; Chua, Pei Juan; Zhong, Guofu","Recyclable organocatalysis: highly enantioselective Michael addition of 1,3-diaryl-1,3-propanedione to nitroolefins.","Chemical communications (Cambridge, England)","2009","34","7","779","781","10.1039/b813915f","","","0.71073","MoKα","","0.0682","0.0493","","","0.1217","0.1545","","","","","","1.066","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104241","6.9183","0.0006","9.8313","0.0009","8.2669","0.0008","90","","100.809","0.002","90","","552.3","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H9 F3 N2 O3 S -","- C9 H9 F3 N2 O3 S -","- C18 H18 F6 N4 O6 S2 -","2","1","","Zheng, Feng; Zhang, Xingang; Qing, Feng-Ling","Stereoselective Reformatskii-Claisen rearrangement: synthesis of 2',3'-dideoxy-6',6'-difluoro-2'-thionucleosides.","Chemical communications (Cambridge, England)","2009","34","12","1505","1507","10.1039/b819289h","","","0.71073","MoKα","","0.0349","0.0344","","","0.0955","0.0962","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104250","13.847","0.003","11.216","0.002","10.447","0.002","90","","110.12","0.03","90","","1523.5","0.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H32 N6 Se7 Sn2 Zn2 -","- C12 H32 N6 Se7 Sn2 Zn2 -","- C24 H64 N12 Se14 Sn4 Zn4 -","2","1","","Philippidis, Aggelos; Bakas, Thomas; Trikalitis, Pantelis N","(H2NC4H8NCH2CH2NH2)2Zn2Sn2Se7: a hybrid ternary semiconductor stabilized by amine molecules acting simultaneously as ligands and counterions.","Chemical communications (Cambridge, England)","2009","34","12","1556","1558","10.1039/b821859e","","","0.71073","MoKα","","0.1701","0.0832","","","0.1331","0.1579","","","","","","0.928","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104252","9.954","0.003","11.961","0.004","12.053","0.005","90","","93.41","0.03","90","","1432.5","0.8","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 I O2 P Pt -","- C28 H42 I O2 P Pt -","- C56 H84 I2 O4 P2 Pt2 -","2","1","","Boag, Neil M; Rao, K Mohan","Activation of metal-bound eta5-C5Me5 groups to Diels-Alder addition of 3O2 and other dienophiles.","Chemical communications (Cambridge, England)","2009","34","12","1499","1501","10.1039/b818537a","","","0.71073","MoKα","","0.0963","0.0634","","","0.126","0.1419","","","","","","1.039","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104283","9.5751","0.0002","15.1762","0.0003","10.7704","0.0002","90","","110.529","0.001","90","","1465.69","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H36 Cl2 Fe N4 O10 -","- C24 H36 Cl2 Fe N4 O10 -","- C48 H72 Cl4 Fe2 N8 O20 -","2","1","","Howson, Suzanne E; Allan, Laura E N; Chmel, Nikola P; Clarkson, Guy J; van Gorkum, Remy; Scott, Peter","Self-assembling optically pure Fe(A-B)3 chelates.","Chemical communications (Cambridge, England)","2009","34","13","1727","1729","10.1039/b821573a","","","0.71073","MoKα","","0.0276","0.0269","","","0.0649","0.0654","","","","","","1.046","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104284","18.5532","0.0006","12.1579","0.0002","19.1141","0.0006","90","","90.786","0.001","90","","4311.1","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H44 Cl2 Fe N6.5 O11.25 -","- C43 H43.5 Cl2 Fe N6.5 O11.25 -","- C172 H174 Cl8 Fe4 N26 O45 -","4","2","","Howson, Suzanne E; Allan, Laura E N; Chmel, Nikola P; Clarkson, Guy J; van Gorkum, Remy; Scott, Peter","Self-assembling optically pure Fe(A-B)3 chelates.","Chemical communications (Cambridge, England)","2009","34","13","1727","1729","10.1039/b821573a","","","0.71073","MoKα","","0.0842","0.0557","","","0.1075","0.1209","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104336","9.2128","0.0006","7.5548","0.0005","11.3782","0.0008","90","","112.449","0.004","90","","731.92","0.09","225","2","225","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl F N O6 -","- C13 H13 Cl F N O6 -","- C26 H26 Cl2 F2 N2 O12 -","2","1","","Li, Hao; Zhang, Shilei; Yu, Chenguang; Song, Xixi; Wang, Wei","Organocatalytic asymmetric synthesis of chiral fluorinated quaternary carbon containing beta-ketoesters.","Chemical communications (Cambridge, England)","2009","34","16","2136","2138","10.1039/b900777f","","","0.71073","MoKα","","0.0405","0.0341","","","0.0834","0.0875","","","","","","1.025","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104364","10.3787","0.0002","6.613","0.0001","16.8336","0.0002","90","","103.344","0.001","90","","1124.17","0.03","293","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl2 Cu2 N4 O7 -","- C18 H22 Cl2 Cu2 N4 O7 -","- C36 H44 Cl4 Cu4 N8 O14 -","2","1","","Wang, Miao; Xie, Ming-Hua; Wu, Chuan-De; Wang, Yan-Guang","From one to three: a serine derivate manipulated homochiral metal-organic framework.","Chemical communications (Cambridge, England)","2009","34","17","2396","2398","10.1039/b823323c","","","0.71073","MoKα","","","0.0371","","","0.0682","0.0746","","","","","","0.989","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104369","14.235","0.0006","17.4496","0.0009","14.771","0.0005","90","","95.096","0.003","90","","3654.5","0.3","150","1","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 B F15 P -","- C36 H37 B F15 P -","- C144 H148 B4 F60 P4 -","4","2","","Ullrich, Matthias; Seto, Kelvin S-H; Lough, Alan J; Stephan, Douglas W","1,4-Addition reactions of frustrated Lewis pairs to 1,3-dienes.","Chemical communications (Cambridge, England)","2009","34","17","2335","2337","10.1039/b901212e","","","0.71073","MoKα","","0.1062","0.0548","","","0.1162","0.1333","","","","","","1.045","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104371","11.96","0.002","16.72","0.003","12.861","0.002","90","","91.967","0.003","90","","2570.3","0.7","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H74 Cr2 O3 -","- C60 H74 Cr2 O3 -","- C120 H148 Cr4 O6 -","2","1","","Ni, Chengbao; Ellis, Bobby D; Long, Gary J; Power, Philip P","Reactions of Ar'CrCrAr' with N2O or N3(1-Ad): complete cleavage of the Cr-Cr quintuple interaction.","Chemical communications (Cambridge, England)","2009","34","17","2332","2334","10.1039/b901494b","","","0.71073","MoKα","","0.0864","0.063","","","0.1519","0.1681","","","","","","1.022","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104386","9.7506","0.0001","14.8856","0.0002","14.0027","0.0002","90","","104.98","0.001","90","","1963.33","0.04","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H45 B Ir N7 O -","- C46 H45 B Ir N7 O -","- C92 H90 B2 Ir2 N14 O2 -","2","1","","Tsoureas, Nikolaos; Haddow, Mairi F; Hamilton, Alex; Owen, Gareth R","A new family of metallaboratrane complexes based on 7-azaindole: B-H activation mediated by carbon monoxide.","Chemical communications (Cambridge, England)","2009","34","18","2538","2540","10.1039/b822678d","","","0.71073","MoKα","","0.0305","0.0252","","","0.0485","0.0505","","","","","","0.891","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104497","9.1013","0.0001","12.5045","0.0002","9.5586","0.0002","90","","98.496","0.001","90","","1075.9","0.03","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Parquette 1677","","","- C24 H23 N5 O3 -","- C24 H23 N5 O3 -","- C48 H46 N10 O6 -","2","1","","Mitsui, Kazuhiko; Hyatt, Sarah A; Turner, Daniel A; Hadad, Christopher M; Parquette, Jon R","Direct aldol reactions catalyzed by intramolecularly folded prolinamide dendrons: dendrimer effects on stereoselectivity.","Chemical communications (Cambridge, England)","2009","34","22","3261","3263","10.1039/b902960e","","x-ray","0.71073","MoKα","","0.0557","0.0365","","","0.0748","0.0807","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104498","9.7376","0.0001","18.8927","0.0002","10.8852","0.0001","90","","108.797","0.001","90","","1895.74","0.03","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Parquette 1673","","","- C43 H43 N7 O4 -","- C43 H43 N7 O4 -","- C86 H86 N14 O8 -","2","1","","Mitsui, Kazuhiko; Hyatt, Sarah A; Turner, Daniel A; Hadad, Christopher M; Parquette, Jon R","Direct aldol reactions catalyzed by intramolecularly folded prolinamide dendrons: dendrimer effects on stereoselectivity.","Chemical communications (Cambridge, England)","2009","34","22","3261","3263","10.1039/b902960e","","x-ray","0.71073","MoKα","","0.0486","0.0352","","","0.0734","0.078","","","","","","1.039","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7104547","6.368","0.005","7.456","0.006","8.308","0.006","90","","100.83","0.011","90","","387.4","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 I O3 -","- C6 H7 I O3 -","- C12 H14 I2 O6 -","2","1","","Boyd, Derek R; Sharma, Narain D; Malone, John F; Allen, Christopher C R","New families of enantiopure cyclohexenone cis-diol, o-quinol dimer and hydrate metabolites from dioxygenase-catalysed dihydroxylation of phenols.","Chemical communications (Cambridge, England)","2009","34","24","3633","3635","10.1039/b905940g","","","0.71073","MoKα","","0.0323","0.0319","","","0.0901","0.0907","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104549","6.4039","0.0014","13.997","0.003","13.665","0.002","90","","101.776","0.013","90","","1199.1","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C52 H64 O14 -","2","1","","Boyd, Derek R; Sharma, Narain D; Malone, John F; Allen, Christopher C R","New families of enantiopure cyclohexenone cis-diol, o-quinol dimer and hydrate metabolites from dioxygenase-catalysed dihydroxylation of phenols.","Chemical communications (Cambridge, England)","2009","34","24","3633","3635","10.1039/b905940g","","","0.71073","MoKα","","0.063","0.0441","","","0.1018","0.1119","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104562","5.025","0.0003","17.606","0.0012","11.901","0.0012","90","","101.87","0.02","90","","1030.37","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-EDT-TTF-bis(Me-Ox)","","","- C16 H16 N2 O2 S6 -","- C16 H16 N2 O2 S6 -","- C32 H32 N4 O4 S12 -","2","1","","Riobé, François; Avarvari, Narcis","C(2)-symmetric chiral tetrathiafulvalene-bis(oxazolines) (TTF-BOX): new precursors for organic materials and electroactive metal complexes.","Chemical communications (Cambridge, England)","2009","34","25","3753","3755","10.1039/b902091h","","","0.7107","MoKα","","0.0748","0.0385","","","0.072","0.0807","","","","","","1.015","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104563","7.9794","0.0009","12.1549","0.0009","13.5558","0.0015","90","","93.397","0.013","90","","1312.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","((S)-EDT-TTF-bis(Me-Ox))Mo(CO)4","","","- C20 H16 Mo N2 O6 S6 -","- C20 H16 Mo N2 O6 S6 -","- C40 H32 Mo2 N4 O12 S12 -","2","1","","Riobé, François; Avarvari, Narcis","C(2)-symmetric chiral tetrathiafulvalene-bis(oxazolines) (TTF-BOX): new precursors for organic materials and electroactive metal complexes.","Chemical communications (Cambridge, England)","2009","34","25","3753","3755","10.1039/b902091h","","","0.71073","MoKα","","0.0539","0.0376","","","0.0874","0.0969","","","","","","1.035","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104564","7.9843","0.0003","12.1519","0.0016","13.4532","0.0013","90","","93.646","0.005","90","","1302.6","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","((S)-EDT-TTF-bis(Me-Ox))W(CO)4","","","- C20 H16 N2 O6 S6 W -","- C20 H16 N2 O6 S6 W -","- C40 H32 N4 O12 S12 W2 -","2","1","","Riobé, François; Avarvari, Narcis","C(2)-symmetric chiral tetrathiafulvalene-bis(oxazolines) (TTF-BOX): new precursors for organic materials and electroactive metal complexes.","Chemical communications (Cambridge, England)","2009","34","25","3753","3755","10.1039/b902091h","","","0.71073","MoKα","","0.0294","0.0225","","","0.0472","0.0507","","","","","","1.064","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104582","10.6266","0.0013","8.3019","0.0007","15.0552","0.0014","90","","98.34","0.004","90","","1314.1","0.2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H27 N O5 S -","- C32 H27 N O5 S -","- C64 H54 N2 O10 S2 -","2","1","","Jiang, Kun; Peng, Jing; Cui, Hai-Lei; Chen, Ying-Chun","Organocatalytic asymmetric allylic alkylation of oxindoles with Morita-Baylis-Hillman carbonates.","Chemical communications (Cambridge, England)","2009","34","26","3955","3957","10.1039/b905177e","","","0.7107","MoKα","","0.0359","0.0316","","","0.0672","0.069","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104608","5.6235","0.0008","39.442","0.006","8.0098","0.0012","90","","90.031","0.001","90","","1776.6","0.5","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Br N O5 -","- C18 H16 Br N O5 -","- C72 H64 Br4 N4 O20 -","4","2","","Lu, Hai-Hua; Wang, Xu-Fan; Yao, Chang-Jiang; Zhang, Jian-Ming; Wu, Hong; Xiao, Wen-Jing","Highly enantioselective organocatalytic Michael addition of nitroalkanes to 4-oxo-enoates.","Chemical communications (Cambridge, England)","2009","34","28","4251","4253","10.1039/b905033g","","","0.71073","MoKα","","0.0835","0.0514","","","0.12","0.1457","","","","","","0.918","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7104611","10.4908","0.0006","6.07","0.0004","12.0008","0.0007","90","","104.37","0.003","90","","740.29","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H9 Cl4 N O3 S -","- C10 H9 Cl4 N O3 S -","- C20 H18 Cl8 N2 O6 S2 -","2","1","","Subbarayan, Velusamy; Ruppel, Joshua V; Zhu, Shifa; Perman, Jason A; Zhang, X Peter","Highly asymmetric cobalt-catalyzed aziridination of alkenes with trichloroethoxysulfonyl azide (TcesN3).","Chemical communications (Cambridge, England)","2009","34","28","4266","4268","10.1039/b905727g","","","1.54178","CuKα","","0.0376","0.0347","","","0.0831","0.0851","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104662","13.3126","0.0008","15.0787","0.0008","14.0844","0.0008","90","","114.021","0.003","90","","2582.4","0.3","228","2","228","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 F N O8 S2 -","- C26 H24 F N O8 S2 -","- C104 H96 F4 N4 O32 S8 -","4","2","","Zhang, Shilei; Zhang, Yinan; Ji, Yafei; Li, Hao; Wang, Wei","Catalytic enantioselective conjugate addition of fluorobis(phenylsulfonyl)methane to enals: synthesis of chiral monofluoromethyl compounds.","Chemical communications (Cambridge, England)","2009","34","32","4886","4888","10.1039/b907399j","","","0.71073","MoKα","","0.0655","0.0454","","","0.1189","0.1318","","","","","","1.003","","","","has coordinates,has disorder","180149","2020-10-21","18:00:00",""
"7104695","9.8978","0.0008","9.7275","0.001","10.0052","0.0009","90","","95.038","0.007","90","","959.59","0.15","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H19 N -","- C27 H19 N -","- C54 H38 N2 -","2","1","","Tatsuya Fukutani; Nobuyoshi Umeda; Koji Hirano; Tetsuya Satoh; Masahiro Miura","Rhodium-catalyzed oxidative coupling of aromatic imines with internal alkynes via regioselective C‒H bond cleavage","Chem. Commun.","2009","34","","5141","5143","10.1039/b910198e","","","0.71069","MoKα","","","0.0423","","","","0.1001","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104776","11.067","0.004","9.614","0.002","22.413","0.006","90","","104.655","0.012","90","","2307.2","1.1","123.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H44 B Cl2 F4 Fe2 Rh -","- C57 H44 B Cl2 F4 Fe2 Rh -","- C114 H88 B2 Cl4 F8 Fe4 Rh2 -","2","1","","Nishimura, Takahiro; Kumamoto, Hana; Nagaosa, Makoto; Hayashi, Tamio","The concise synthesis of chiral tfb ligands and their application to the rhodium-catalyzed asymmetric arylation of aldehydes.","Chemical communications (Cambridge, England)","2009","34","38","5713","5715","10.1039/b911118b","","","0.71075","MoK(Jα","","","0.0429","","","","0.1089","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104781","8.1097","0.0001","14.6807","0.0003","8.7957","0.0002","90","","108.442","0.001","90","","993.4","0.03","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","Sym-anti perchlorato","Sym-anti perchlorato","","- C14 H29 Cl2 Co N4 O8 -","- C14 H29 Cl2 Co N4 O8 -","- C28 H58 Cl4 Co2 N8 O16 -","2","1","","Zhou, Xiangting; Day, Anthony I.; Willis, Anthony C.; Jackson, W. Gregory","The first structurally characterised perchlorato-cobalt(III) complexes, involving the C-bonded macrobicyclic ligand 1,4,8,11-tetraazabicyclo[9.5.2]octadecane","Chemical Communications (Cambridge, United Kingdom)","2003","","18","2386","2387","10.1039/b305182j","","","0.71073","MoKα","","","0.0368","","","","0.0416","","","","","","1.0641","","","","has coordinates","210541","2020-10-21","18:00:00",""
"7104819","12.739","0.005","9.294","0.004","15.994","0.006","90","","103.419","0.008","90","","1841.9","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(N-Boc-aminoethyl)-4R-O-mesyl-5-one-proline methyl ester","","- C14 H24 N2 O8 S -","- C14 H24 N2 O8 S -","- C56 H96 N8 O32 S4 -","4","2","","Sharma, Nagendra K.; Ganesh, Krishna N.","Expanding the repertoire of pyrrolidyl PNA analogues for DNA/RNA hybridization selectivity: aminoethylpyrrolidinone PNA (aepone-PNA)","Chemical Communications (Cambridge, United Kingdom)","2003","","19","2484","2485","10.1039/b307362a","","","0.71073","MoKα","","0.0816","0.0652","","","0.1213","0.1283","","","","","","1.109","","","","has coordinates","210655","2020-10-21","18:00:00",""
"7104846","26.236","0.003","15.3526","0.0016","39.579","0.004","90","","99.863","0.002","90","","15707","3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H56 Br2 N2 Ni O0.5 -","- C60 H52.1667 Br2 N2 Ni O0.5 -","- C720 H626 Br24 N24 Ni12 O6 -","12","6","","Cherian, Anna E.; Lobkovsky, Emil B.; Coates, Geoffrey W.","Chiral anilines: development of C2-symmetric, late-transition metal catalysts for isoselective 2-butene polymerization","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2566","2567","10.1039/b307659h","","","0.71073","MoKα","","0.1176","0.0819","","","0.1976","0.2151","","","","","","1.051","","","","has coordinates","209721","2020-10-21","18:00:00",""
"7104847","10.9901","0.0012","5.8238","0.0007","12.5648","0.0013","90","","112.091","0.003","90","","745.16","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 S Zn -","- C13 H10 N O3 S Zn -","- C26 H20 N2 O6 S2 Zn2 -","2","1","","Han, Lei; Hong, Maochun; Wang, Ruihu; Luo, Junhua; Lin, Zhengzhong; Yuan, Daqiang","A novel nonlinear optically active tubular coordination network based on two distinct homo-chiral helices","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2580","2581","10.1039/b308007b","","","0.71073","MoKα","","","0.0551","","","0.1668","0.1815","","","","","","1.207","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104870","9.7835","0.0003","11.2223","0.0004","10.628","0.0003","90","","109.981","0.002","90","","1096.64","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O2 S2 -","- C24 H30 O2 S2 -","- C48 H60 O4 S4 -","2","1","","Carlisle, Julie; Fox, David J.; Warren, Stuart","Thermodynamically controlled cyclisation reactions with double phenylsulfanyl migration","Chemical Communications (Cambridge, United Kingdom)","2003","","21","2696","2697","10.1039/b308609g","","","0.71073","MoKα","","0.0535","0.0383","","","0.0721","0.0777","","","","","","1.039","","","","has coordinates","209799","2020-10-21","18:00:00",""
"7104905","10.305","0.0004","7.273","0.0003","14.253","0.0008","90","","90.388","0.002","90","","1068.21","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N3 O2 -","- C26 H27 N3 O2 -","- C52 H54 N6 O4 -","2","1","","Bailey, Patrick D.; Clingan, Paul D.; Mills, Timothy J.; Price, Richard A.; Pritchard, Robin G.","Total synthesis of (‒)-raumacline","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2800","2801","10.1039/b310274b","","x-ray","0.71073","MoKα","","0.0727","0.0509","","","0.0974","0.1084","","","","","","1.133","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104922","11.165","0.005","6.291","0.005","13.51","0.005","90","0.005","114.011","0.005","90","0.005","866.8","0.9","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C40 H36 O10 -","2","1","","Meng, Ling-Guo; Hu, Bin; Wu, Quan-Ping; Liang, Mao; Xue, Song","PPh3-catalyzed unexpected alpha-addition reaction of 1-(o-hydroxyaryl)-1,3-diketones to terminal alkynoates: a straightforward synthesis of multifunctional vinylesters.","Chemical communications (Cambridge, England)","2009","","40","6089","6091","10.1039/b909279j","","","1.54184","CuKα","","0.0225","0.0222","","","0.0597","0.06","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104998","14.399","0.005","32.127","0.006","19.851","0.009","90","","110.27","0.009","90","","8614","5","293","2","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H93 Cu F6 N6 O6 P -","- C80 H93 Cu F6 N6 O6 P -","- C320 H372 Cu4 F24 N24 O24 P4 -","4","2","","Darbost, Ulrich; Penin, Vanessa; Jeanneau, Erwann; Félix, Caroline; Vocanson, Francis; Bucher, Christophe; Royal, Guy; Bonnamour, Isabelle","A calixarene-based copper-centered redox switch as a data storage prototype.","Chemical communications (Cambridge, England)","2009","","44","6774","6776","10.1039/b907207a","","","0.71069","MoKα","","0.1502","0.1124","","0.2389","0.1918","0.2389","","","","","","0.948","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105045","10.2052","0.0009","10.3128","0.0009","11.5048","0.0011","90","","108.727","0.005","90","","1146.71","0.18","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","HB(NHDIPP)2","","","- C24 H37 B N2 -","- C24 H37 B N2 -","- C48 H74 B2 N4 -","2","1","","Spielmann, Jan; Bolte, Michael; Harder, Sjoerd","Synthesis and structure of a magnesium-amidoborane complex and its role in catalytic formation of a new bis-aminoborane ligand.","Chemical communications (Cambridge, England)","2009","","45","6934","6936","10.1039/b914979a","","","0.71073","MoKα","","0.0582","0.0474","","","0.1074","0.1133","","","","","","1.049","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7105051","7.2498","0.0008","13.0008","0.0015","14.4114","0.0018","90","","90.274","0.003","90","","1358.3","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N3 O2 S3 -","- C29 H27 N3 O2 S3 -","- C58 H54 N6 O4 S6 -","2","1","","Xiong, Xiao-Feng; Jia, Zhi-Jun; Du, Wei; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Merging chiral organocatalysts: enantio- and diastereoselective direct vinylogous Mannich reaction of alkylimines.","Chemical communications (Cambridge, England)","2009","","45","6994","6996","10.1039/b917408g","","","0.7107","MoKα","","0.0471","0.0389","","","0.0863","0.0909","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105072","9.6036","0.0005","12.2354","0.0006","18.6396","0.0009","90","","94.52","0.001","90","","2183.41","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20.5 H30.5 Cl1.5 I N S -","- C20.5 H30.5 Cl1.5 I N S -","- C82 H122 Cl6 I4 N4 S4 -","4","2","","Szostak, Michal; Aubé, Jeffrey","Synthesis and rearrangement of a bridged thioamide.","Chemical communications (Cambridge, England)","2009","","46","7122","7124","10.1039/b917508c","","","0.71073","MoKα","","0.0486","0.0469","","","0.1059","0.107","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105081","12.306","0.002","11.433","0.002","14.66","0.003","90","","112.875","0.002","90","","1900.4","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H30 Br2 F6 N2 O4 -","- C40 H30 Br2 F6 N2 O4 -","- C80 H60 Br4 F12 N4 O8 -","2","1","","Peng Li; Zhuo Chai; Sheng-Li Zhao; Ying-Quan Yang; Hai-Feng Wang; Chang-Wu Zheng; Yue-Peng Cai; Gang Zhao; Shi-Zheng Zhu","Highly enantio- and diastereoselective synthesis of α-trifluoromethyldihydropyrans using a novel bifunctional piperazine-thiourea catalyst","Chem. Commun.","2009","","","7369","7371","10.1039/b915210e","","","0.71073","MoKα","","0.0945","0.0468","","","0.0927","0.1109","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105143","11.552","0.005","9.827","0.005","14.569","0.007","90","","109.875","0.011","90","","1555.4","1.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H41 N O4 -","- C38 H40 N O4 -","- C76 H80 N2 O8 -","2","1","","Uraguchi, Daisuke; Koshimoto, Kyohei; Ooi, Takashi","Flexible synthesis, structural determination, and synthetic application of a new C1-symmetric chiral ammonium betaine.","Chemical communications (Cambridge, England)","2009","46","2","300","302","10.1039/b916627k","","","0.71073","MoKα","","0.0593","0.0496","","","0.1157","0.1216","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105163","11.3248","0.0016","11.816","0.002","18.73","0.004","90","","92.463","0.003","90","","2504","0.8","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H26 B Br2 Co F2 N4 O4 -","- C22 H26 B Br2 Co F2 N4 O4 -","- C88 H104 B4 Br8 Co4 F8 N16 O16 -","4","2","","Berben, Louise A; Peters, Jonas C","Hydrogen evolution by cobalt tetraimine catalysts adsorbed on electrode surfaces.","Chemical communications (Cambridge, England)","2010","46","3","398","400","10.1039/b921559j","","","0.71073","MoKα","","0.0593","0.0381","","","0.0889","0.1064","","","","","","0.576","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105169","11.814","0.002","5.9898","0.0012","17.425","0.004","90","","106.02","0.03","90","","1185.3","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O6 S -","- C25 H29 N O6 S -","- C50 H58 N2 O12 S2 -","2","1","","Wang, Ya-Hui; Zhu, Li-Li; Zhang, Yu-Xin; Chen, Zili","Diastereoselective gamma-vinyl butyrolactone synthesis via gold catalyzed cyclization of allylic acetate.","Chemical communications (Cambridge, England)","2010","46","4","577","579","10.1039/b913348h","","","0.71073","MoKα","","0.0378","0.036","","","0.0887","0.0904","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105247","6.545","0.005","9.091","0.005","9.249","0.005","90","0.005","96.382","0.005","90","0.005","546.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2a","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Zhang, Jiahui; Wu, Xiangxiang; Yamato, Kazuhiro; Liu, Futao; Su, Tianyi; Zheng, Chong; He, Lan; Gong, Bing","A hydrogen bonding motif for forming extended assemblies.","Chemical communications (Cambridge, England)","2010","46","7","1062","1064","10.1039/b924008j","","","0.71073","MoKα","","0.0755","0.0739","","","0.1655","0.1666","","","","","","1.079","","","","has coordinates","287935","2023-12-01","15:08:10",""
"7105251","8.314","0.005","22.63","0.005","12.582","0.005","90","0.005","94.055","0.005","90","0.005","2361.3","1.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl2 N O6 -","- C24 H21 Cl2 N O6 -","- C96 H84 Cl8 N4 O24 -","4","2","","Wang, Chao; Chen, Xiao-Hua; Zhou, Shi-Ming; Gong, Liu-Zhu","Asymmetric organocatalytic formal double-arylation of azomethines for the synthesis of highly enantiomerically enriched isoindolines","Chemical Communications (Cambridge, United Kingdom)","2010","46","8","1275","1277","10.1039/b917246g","","","1.54184","CuKα","","0.0594","0.0571","","","0.1429","0.1447","","","","","","1.001","","","","has coordinates","210722","2020-10-21","18:00:00",""
"7105252","7.965","0.005","30.381","0.005","10.583","0.005","90","0.005","101.631","0.005","90","0.005","2508","2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O8 -","- C26 H21 Cl N2 O8 -","- C104 H84 Cl4 N8 O32 -","4","2","","Wang, Chao; Chen, Xiao-Hua; Zhou, Shi-Ming; Gong, Liu-Zhu","Asymmetric organocatalytic formal double-arylation of azomethines for the synthesis of highly enantiomerically enriched isoindolines","Chemical Communications (Cambridge, United Kingdom)","2010","46","8","1275","1277","10.1039/b917246g","","","1.54184","CuKα","","0.0651","0.0425","","","0.0868","0.0934","","","","","","1.005","","","","has coordinates","210722","2020-10-21","18:00:00",""
"7105266","9.0216","0.0004","16.7857","0.0006","9.9119","0.0003","90","","100.502","0.003","90","","1475.85","0.1","150","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H37 F N2 O7 Si -","- C30 H37 F N2 O7 Si -","- C60 H74 F2 N4 O14 Si2 -","2","1","","Ghosh, Arun K.; Kass, Jorden","Highly diastereoselective synthesis of modified nucleosides via an asymmetric multicomponent reaction","Chemical Communications","2010","46","8","1218","","10.1039/b924807b","","","1.54184","CU-Kα","","0.03","0.03","","","0.079","0.08","","","","","","1.059","","","","has coordinates","288189","2023-12-08","15:49:02",""
"7105282","10.723","0.004","7.421","0.002","10.609","0.004","90","","103.992","0.008","90","","819.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 O5 P -","- C17 H17 O5 P -","- C34 H34 O10 P2 -","2","1","","Pan, Xiang-Qiang; Zou, Jian-Ping; Zhang, Guang-Liang; Zhang, Wei","Manganese(III)-mediated direct phosphonation of arylalkenes and arylalkynes.","Chemical communications (Cambridge, England)","2010","46","10","1721","1723","10.1039/b925951a","","","0.7107","MoKα","","0.0539","0.0431","","","0.0881","0.0935","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105293","9.2762","0.0003","40.3235","0.0012","11.5632","0.0003","90","","110.864","0.001","90","","4041.6","0.2","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H53 N2 O0.5 P2 S Si3 Sn -","- C36 H53 N2 O0.5 P2 S Si3 Sn -","- C144 H212 N8 O2 P8 S4 Si12 Sn4 -","4","2","","Guo, Jiayi; Lau, Kai-Chung; Xi, Hong-Wei; Lim, Kok Hwa; So, Cheuk-Wai","Synthesis and characterization of a tin(II) bis(phosphinoyl)methanediide complex: a stannavinylidene derivative.","Chemical communications (Cambridge, England)","2010","46","11","1929","1931","10.1039/b922377k","","","0.71073","MoKα","","0.0495","0.0367","","","0.0683","0.075","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105301","17.536","0.004","14.92","0.003","18.883","0.004","90","","92.44","0.03","90","","4936.2","1.7","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H52 Ag F3 N2 O6 P2 -","- C52 H52 Ag F3 N2 O6 P2 -","- C208 H208 Ag4 F12 N8 O24 P8 -","4","2","","Nasser, Nasser; Eisler, Dana J; Puddephatt, Richard J","A chiral diphosphine as trans-chelate ligand and its relevance to catalysis.","Chemical communications (Cambridge, England)","2010","46","11","1953","1955","10.1039/b923911a","","","0.71073","MoKα","","0.0917","0.0572","","","0.151","0.1889","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105315","9.3558","0.0014","9.4206","0.0014","10.693","0.0016","90","","99.473","0.003","90","","929.6","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br N2 O3 S -","- C16 H21 Br N2 O3 S -","- C32 H42 Br2 N4 O6 S2 -","2","1","","Ji, Du-Ming; Xu, Ming-Hua","Highly diastereoselective Friedel-Crafts reaction of indoles with an N-tert-butanesulfinylimino ester: an efficient and practical approach to enantiomerically enriched alpha-(3-indolyl)glycines.","Chemical communications (Cambridge, England)","2010","46","9","1550","1552","10.1039/b914687c","","","0.71073","MoKα","","0.0595","0.0478","","","0.1071","0.111","","","","","","0.926","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105331","8.6513","0.0004","19.0107","0.001","10.3315","0.0004","90","","90.445","0.002","90","","1699.14","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N O P -","- C18 H24 N O P -","- C72 H96 N4 O4 P4 -","4","2","","Francesco, Irene Notar; Wagner, Alain; Colobert, Françoise","Stereoselective addition of Grignard reagents to new P-chirogenic N-phosphinoylimines.","Chemical communications (Cambridge, England)","2010","46","12","2139","2141","10.1039/b915781f","","","0.71073","MoKα","","0.1013","0.0847","","","0.2114","0.2243","","","","","","1.083","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105332","10.5558","0.0007","10.4979","0.0007","11.4257","0.0008","90","","103.691","0.001","90","","1230.15","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C52 H72 N4 O8 -","2","1","","Sephton, Mark A; Emerson, Christopher R; Zakharov, Lev N; Blakemore, Paul R","Spontaneous symmetry breaking during interrupted crystallization of an axially chiral amino acid derivative.","Chemical communications (Cambridge, England)","2010","46","12","2094","2096","10.1039/b922028c","","","0.71073","MoKα","","0.0351","0.0329","","","0.0844","0.0868","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105362","9.236","0.002","16.527","0.002","10.6095","0.0019","90","","114.39","0.03","90","","1474.9","0.6","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H52 N3 Na O Zn -","- C27 H52 N3 Na O Zn -","- C54 H104 N6 Na2 O2 Zn2 -","2","1","","Balloch, Liam; Kennedy, Alan R; Klett, Jan; Mulvey, Robert E; O'Hara, Charles T","Structural elaboration of the surprising ortho-zincation of benzyl methyl ether.","Chemical communications (Cambridge, England)","2010","46","13","2319","2321","10.1039/b924791b","","","0.71073","MoKα","","0.037","0.0309","","","0.0646","0.0658","","","","","","0.973","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105430","8.484","0.003","10.491","0.003","10.187","0.003","90","","93.552","0.007","90","","905","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 N3 O13 Zn3 -","- C12 H15 N3 O13 Zn3 -","- C24 H30 N6 O26 Zn6 -","2","1","","Gould, Jamie A; Jones, James T A; Bacsa, John; Khimyak, Yaroslav Z; Rosseinsky, Matthew J","A homochiral three-dimensional zinc aspartate framework that displays multiple coordination modes and geometries.","Chemical communications (Cambridge, England)","2010","46","16","2793","2795","10.1039/b925066b","","","0.71073","MoKα","","0.0799","0.0599","","","0.1309","0.14","","","","","","1.063","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7105432","5.7884","0.0006","19.672","0.002","9.4173","0.0011","90","","103.446","0.006","90","","1042.9","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl O3 P -","- C23 H20 Cl O3 P -","- C46 H40 Cl2 O6 P2 -","2","1","","Hong, Liang; Sun, Wangsheng; Liu, Chunxia; Zhao, Depeng; Wang, Rui","Enantioselective construction of allylic phosphine oxides through substitution of Morita-Baylis-Hillman carbonates with phosphine oxides.","Chemical communications (Cambridge, England)","2010","46","16","2856","2858","10.1039/b926037d","","","0.71073","MoKα","","0.0596","0.0439","","","0.0908","0.1017","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105453","8.356","0.003","7.93","0.002","15.722","0.005","90","","103.369","0.004","90","","1013.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N2 O2 -","- C25 H25 N2 O2 -","- C50 H50 N4 O4 -","2","1","","Wu, Xiaoyu; Dai, Xiaoyang; Nie, Linlin; Fang, Huihui; Chen, Jie; Ren, Zhongjiao; Cao, Weiguo; Zhao, Gang","Organocatalyzed enantioselective one-pot three-component access to indoloquinolizidines by a Michael addition-Pictet-Spengler sequence.","Chemical communications (Cambridge, England)","2010","46","16","2733","2735","10.1039/c001512a","","","0.71073","MoKα","","0.0665","0.048","","","0.1095","0.1222","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105520","8.8747","0.0003","15.3391","0.0005","10.0545","0.0004","90","","91.294","0.002","90","","1368.37","0.08","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Br F5 N2 P2 Pt -","- C24 H28 Br F5 N2 P2 Pt -","- C48 H56 Br2 F10 N4 P4 Pt2 -","2","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi; Vedernikov, Andrei N.","Aryl-bromide reductive elimination from an isolated Pt(iv) complex","Chemical Communications","2010","46","19","3324","3326","10.1039/c001487g","","","0.71073","MoKα","","0.0653","0.0431","","","0.0851","0.0937","","","","","","1.032","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105576","11.998","0.015","6.5","0.007","16.73","0.02","90","","95.46","0.02","90","","1299","3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C54 H66 N2 O14 -","2","1","","Shimada, Naoyuki; Ashburn, Bradley O.; Basak, Ashok K.; Bow, William F.; Vicic, David A.; Tius, Marcus A.","Organocatalytic asymmetric aza-Nazarov cyclization of an azirine.","Chemical communications (Cambridge, England)","2010","46","21","3774","3775","10.1039/b927564a","","","0.71075","MoKα","","0.3463","0.0997","","","0.2014","0.3209","","","","","","0.934","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105586","10.0824","0.0012","17.4274","0.0015","12.4327","0.0016","90","","110.322","0.009","90","","2048.6","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H61 B2 Li N2 O5 Si -","- C38 H61 B2 Li N2 O5 Si -","- C76 H122 B4 Li2 N4 O10 Si2 -","2","1","","Lorbach, Andreas; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Lewis-base adducts of 9,10-dihydro-9,10-diboraanthracene: ditopic hydroboration reagents and a B-N analogue of triptycene.","Chemical communications (Cambridge, England)","2010","46","20","3592","3594","10.1039/c001803a","","","0.71073","MoKα","","0.0856","0.0666","","","0.1706","0.1822","","","","","","0.956","","","","has coordinates,has disorder","180159","2020-10-21","18:00:00",""
"7105590","27.6092","0.0008","7.5411","0.0003","40.9745","0.0012","90","","92.2675","0.0009","90","","8524.4","0.5","193.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C480 H320 N40 -","20","10","","Yuasa, Junpei; Ogawa, Takuya; Kawai, Tsuyoshi","Remarkable rate acceleration of [4 + 2] cyclodimerization of an ethynylanthracene derivative on the product crystal surfaces.","Chemical communications (Cambridge, England)","2010","46","21","3693","3695","10.1039/c002103b","","","0.71075","MoKα","","","0.045","","","","0.0539","","","","","","0.917","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105625","9.4304","0.0005","4.9089","0.0003","30.3484","0.0016","90","","91.275","0.001","90","","1404.57","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","pMBC2","pMBC2","","- C28 H45 N O4 -","- C28 H45 N O4 -","- C56 H90 N2 O8 -","2","1","","Harrell, Jr, William A; Bergmeyer, Marie Liesel; Zavalij, Peter Y.; Davis, Jeffery T.","Ceramide-mediated transport of chloride and bicarbonate across phospholipid membranes.","Chemical communications (Cambridge, England)","2010","46","22","3950","3952","10.1039/c0cc00493f","","","0.71073","MoKα","","0.0511","0.0365","","","0.0631","0.0668","","","","","","1","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105627","11.9358","0.0003","10.0903","0.0003","17.0594","0.0004","90","","105.134","0.001","90","","1983.31","0.09","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H45 Cl N O P Pd -","- C47 H45 Cl N O P Pd -","- C94 H90 Cl2 N2 O2 P2 Pd2 -","2","1","","Yinhua Huang; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Palladium (II)-Catalyzed Asymmetric Hydrophosphination of Enones: Efficient Access to Chiral Tertiary Phosphines","Chem. Commun.","2010","46","37","6950","6952","10.1039/c0cc00925c","","","0.71073","MoKα","","0.0446","0.0331","","","0.0722","0.0882","","","","","","1.083","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105642","7.8902","0.001","12.4068","0.0016","9.949","0.0012","90","","113.018","0.002","90","","896.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O2 -","- C20 H18 F3 N O2 -","- C40 H36 F6 N2 O4 -","2","1","","Min, Qiao-Qiao; He, Chun-Yang; Zhou, Haibing; Zhang, Xingang","Highly diastereoselective synthesis of quaternary α-trifluoromethyl α-amino acids from chiral imines of trifluoropyruvate.","Chemical communications (Cambridge, England)","2010","46","42","8029","8031","10.1039/c0cc02408b","","","0.71073","MoKα","","0.0409","0.0374","","","0.0908","0.0926","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105644","5.4973","0.0007","8.3407","0.0011","11.8458","0.0016","90","","90.166","0.003","90","","543.14","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","ubql01","","","- C14 H11 N O -","- C14 H11 N O -","- C28 H22 N2 O2 -","2","1","","Lim, Reyna K. V.; Lin, Qing","Azirine ligation: fast and selective protein conjugation via photoinduced azirine-alkene cycloaddition.","Chemical communications (Cambridge, England)","2010","46","42","7993","7995","10.1039/c0cc02863k","","","0.71073","MoKα","","0.0776","0.0591","","","0.1534","0.1686","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105728","9.1966","0.0006","8.0659","0.0005","18.7596","0.0012","90","","94.483","0.001","90","","1387.31","0.15","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 N O5.5 S2 -","- C33 H25 N O5.25 S2 -","- C66 H50 N2 O10.5 S4 -","2","1","","Yaojun Gao; Qiao Ren; Hao Wu; Maoguo Li; Jian Wang","Enantioselective heterocyclic synthesis of spiro chromanonethiochroman complexes catalyzed by a bifunctional indane catalyst","Chem.Commun.","2010","46","","9232","","10.1039/c0cc03489d","","","0.71073","MoKα","","0.0473","0.0447","","","0.1065","0.1098","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105736","11.6395","0.0004","7.8596","0.0003","14.2979","0.0006","90","","109.257","0.003","90","","1234.81","0.08","200","","200","","","","","","","","from U of Wollongong","3","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","2","","Steven Wales; Anthony Willis; Paul Keller","The first stereoselective syntheses of 2,2'-biindoline","Chem.Commun.","2010","46","","9226","","10.1039/c0cc04045b","","","0.71073","MoKα","","0.0597","0.0396","","0.0945","0.0889","0.0945","","","","","","0.8712","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105739","10.171","0.0004","7.217","0.0004","10.632","0.0006","90","","110.426","0.003","90","","731.36","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 9","","","- C14 H14 Fe O7 -","- C14 H14 Fe O7 -","- C28 H28 Fe2 O14 -","2","1","","Monika Ali Khan; John Lowe; Andrew Johnson; Stewart Alan; Simon Lewis","Accessing the antipodal series in microbial arene oxidation: a novel diene rearrangement induced by tricarbonyliron(0) complexation","Chem.Commun.","2011","47","","215","","10.1039/c0cc01169j","","","0.71073","MoKα","","0.0404","0.0385","","","0.1056","0.1107","","","","","","1.054","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105753","20.1702","0.0009","20.6243","0.0008","40.444","0.002","90","","100.75","0.004","90","","16529.3","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.88 H51.5 Cl2 N4 O14.88 -","- C65.75 H80 Cl4 N8 O29.75 -","- C526 H640 Cl32 N64 O238 -","8","4","","Ignacio Alfonso; Miriam Bru; Michael Bolte; Isabel Burguete; Santiago Luis","Anion templated dynamic correction towards the formation of structurally disfavored macrocycles","Chem.Commun.","2011","47","","283","","10.1039/c0cc01784a","","","0.71073","MoKα","","0.2144","0.1598","","","0.3882","0.4429","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105760","9.349","0.0009","6.864","0.0006","15.7148","0.0015","90","","100.578","0.004","90","","991.31","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 Cl O3 -","- C25 H19 Cl O3 -","- C50 H38 Cl2 O6 -","2","1","","Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre","Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions","Chem.Commun.","2011","47","","233","","10.1039/c0cc01957g","","","0.71073","MoKα","","0.0958","0.0552","","","0.1372","0.1601","","","","","","0.921","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7105782","17.302","0.004","15.233","0.003","21.662","0.004","90","","113.54","0.03","90","","5234","2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79.75 H121.5 F6 N26 O21 S6 -","- C79.75 H119 F6 N26 O21 S6 -","- C159.5 H238 F12 N52 O42 S12 -","2","1","","Philip Young; Jack Clegg; Mohan Bhadbhade; Katrina Jolliffe","Hybrid Cyclic Peptide-Thiourea Cages for Anion Recognition","Chem.Commun.","2011","47","","463","","10.1039/c0cc02223c","","","0.65256","Synchrotron","","0.177","0.0978","","","0.2399","0.3028","","","","","","0.773","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7105874","12.1252","0.001","21.996","0.002","12.8415","0.001","90","","117.955","0.01","90","","3025.3","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H52 Eu F12 N O8 -","- C64 H52 Eu F12 N O8 -","- C128 H104 Eu2 F24 N2 O16 -","2","1","","Laura Maggini; Hassan Traboulsi; K.Yoosaf; John Mohanraj; Johan Wouters; Oksana Pietraszkiewicz; Marek Pietraszkiewicz; Nicola Armaroli; Davide Bonifazi","Electrostatically-driven assembly of MWCNTs with a europium complex","Chem.Commun.","2011","47","","1625","","10.1039/c0cc02874f","","","0.71073","MoKα","","0.2155","0.0903","","","0.2174","0.25","","","","","","0.818","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105875","10.664","0.004","12.144","0.004","14.023","0.005","90","","103.547","0.004","90","","1765.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H52 Cl2 O4 -","- C42 H52 Cl2 O4 -","- C84 H104 Cl4 O8 -","2","1","","Haruo Aikawa; Yusuke Takahira; Masahiko Yamaguchi","Synthesis of Chiral 1,8-di(1-adamantyl)naphthalenes Stable at Ambient Temperatures","Chem.Commun.","2011","47","","1479","","10.1039/c0cc03025b","","","0.71073","MoKα","","0.0601","0.0587","","","0.1578","0.1598","","","","","","1.106","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105895","7.2455","0.0005","6.4925","0.0004","11.1739","0.0007","90","","102.217","0.001","90","","513.73","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O -","- C12 H15 N O -","- C24 H30 N2 O2 -","2","1","","Junjia Liu; Stephen D. Lotesta; Erik J. Sorensen","A Concise Synthesis of the Molecular Framework of Pleuromutilin","Chem.Commun.","2011","47","","1500","","10.1039/c0cc04077k","","","0.71073","MoKα","","0.0402","0.0389","","","0.0954","0.0968","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105902","18.2314","0.0008","7.6297","0.0003","18.9377","0.0008","90","","112.745","0.001","90","","2429.38","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N2 O2 -","- C20 H17.6 Br0.8 N1.6 O4 -","- C100 H88 Br4 N8 O20 -","5","2.5","","Ming-Qing Hua; Lian Wang; Han-Feng Cui; Jing Nie; Xiao-Ling Zhang; Jun-An Ma","A Powerful Synergistic Effect for Highly Efficient Diastereo- and Enantioselective Phase-Transfer Catalyzed Conjugate Additions","Chem.Commun.","2011","47","","1631","","10.1039/c0cc04321d","","","0.71073","MoKα","","0.0742","0.0539","","","0.167","0.1829","","","","","","1.083","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105913","10.731","0.00019","21.0995","0.0004","11.9876","0.0003","90","","91.2195","0.0011","90","","2713.6","0.1","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Br N3 O2 -","- C33 H26 Br N3 O2 -","- C132 H104 Br4 N12 O8 -","4","2","","Seiji Shirakawa; Kun Liu; Hironobu Ito; Keiji Maruoka","Catalytic asymmetric synthesis of 1,1-disubstituted tetrahydro-b-carbolines by phase-transfer catalyzed alkylations","Chem.Commun.","2011","47","","1515","","10.1039/c0cc04447d","","","1.54187","CuKα","","","0.0686","","","","0.2107","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105943","10.743","0.003","8.26","0.003","13.016","0.004","90","","112.417","0.006","90","","1067.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 F3 Fe P2 -","- C23 H27 F3 Fe P2 -","- C46 H54 F6 Fe2 P4 -","2","1","","Jonas Buergler; Antonio Togni","Chiral trifluoromethylphosphines: a new stereoselective synthesis of Josiphos-type ligands containing two stereogenic phosphorus atoms","Chem.Commun.","2011","47","","1896","","10.1039/c0cc04606j","","","0.71073","MoKα","","0.0584","0.043","","","0.0721","0.0761","","","","","","0.861","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7106016","10.4121","0.0014","18.574","0.003","19.07","0.003","90","","102.635","0.003","90","","3598.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C168 H192 N12 O30 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0504","0.0468","","","0.127","0.1304","","","","","","1.027","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106017","10.381","0.003","18.456","0.005","19.036","0.005","90","","102.557","0.005","90","","3559.9","1.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5.00033 -","- C168 H192 N12 O30.002 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0654","0.0519","","","0.1177","0.124","","","","","","1.035","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106018","10.4377","0.0014","18.501","0.002","19.116","0.002","90","","102.318","0.002","90","","3606.5","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C168 H192 N12 O30 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0369","0.0329","","","0.0792","0.0815","","","","","","1.118","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106019","10.415","0.002","18.416","0.004","18.845","0.004","90","","101.431","0.007","90","","3542.8","1.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C168 H192 N12 O30 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","x-ray","0.71073","MoKα","","0.0676","0.0528","","","0.1312","0.1394","","","","","","1.04","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106022","9.479","0.002","27.837","0.006","13.143","0.003","90","","90.399","0.003","90","","3467.9","1.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O4 -","- C17 H20 Cl N O4 -","- C136 H160 Cl8 N8 O32 -","8","4","","Tang-Lin Liu; zhao-lin He; Hai-Yan Tao; Yue-Peng Cai; Chun-Jiang Wang","Stereoselective Construction of 5-aza-Spiro[2,4] heptane Motif via Catalytic Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides and Ethyl Cyclopropylidene Acetate","Chem.Commun.","2011","47","","2616","","10.1039/c0cc04329j","","","0.71073","MoKα","","0.0944","0.0514","","","0.1253","0.1506","","","","","","1.02","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106110","7.686","0.004","6.722","0.003","18.277","0.009","90","","93.998","0.008","90","","942","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C44 H38 N2 O6 S2 -","2","1","","Paul MacLellan; Jonathan Clayden","Enantioselective synthesis of tertiary thiols by intramolecular arylation of lithiated thiocarbamates","Chem.Commun.","2011","47","","3395","","10.1039/c0cc04912c","","","0.71073","MoKα","","0.0618","0.0576","","","0.1236","0.125","","","","","","1.223","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106137","12.616","0.003","25.145","0.005","12.892","0.003","90","","108.88","0.03","90","","3869.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H92 N8 O4 Zn2 -","- C84 H92 N8 O4 Zn2 -","- C168 H184 N16 O8 Zn4 -","2","1","","Xiaobing Xi; Taiwei Dong; Gao Li; Yong Cui","Controlled structures of a 1D chiral metallosalen polymer by photo- and solvent-induced partial depolymerization","Chem.Commun.","2011","47","","3831","","10.1039/c0cc05128d","","","0.71073","MoKα","","0.1458","0.0744","","","0.125","0.1501","","","","","","1.019","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106138","17.428","0.004","13.517","0.003","17.588","0.004","90","","100.24","0.03","90","","4077.3","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H100 N8 O6 Zn2 -","- C86 H100 N8 O6 Zn2 -","- C172 H200 N16 O12 Zn4 -","2","1","","Xiaobing Xi; Taiwei Dong; Gao Li; Yong Cui","Controlled structures of a 1D chiral metallosalen polymer by photo- and solvent-induced partial depolymerization","Chem.Commun.","2011","47","","3831","","10.1039/c0cc05128d","","","0.71073","MoKα","","0.1286","0.072","","","0.1859","0.2292","","","","","","1.065","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106162","8.4505","0.0006","6.8838","0.0005","17.806","0.0013","90","","101.79","0.002","90","","1013.95","0.13","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl2 N3 O5 S -","- C19 H17 Cl2 N3 O5 S -","- C38 H34 Cl4 N6 O10 S2 -","2","1","","Yan Zhang; Choon Wee Kee; Richmond Lee; Xiao Fu; Julian Ying-Teck Soh; Esther Mun Foong Loh; Kuo-Wei Huang; Choon-Hong Tan","Guanidine-Catalyzed Enantioselective Desymmetrization of meso-Aziridines","Chem.Commun.","2011","47","","3897","","10.1039/c0cc05840h","","","0.71073","MoKα","","0.0494","0.0459","","","0.116","0.1334","","","","","","1.141","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106167","11.575","0.003","7.6295","0.0019","21.699","0.006","90","","97.671","0.006","90","","1899.1","0.9","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","4-nitro-3,5-di(2,4-dichlorophenyl) cyclohexanone","","","- C18 H13 Cl4 N O3 -","- C18 Cl4 N O3 -","- C72 Cl16 N4 O12 -","4","2","","Bin Wu; Guo-Gui Liu; Mei-Qiu Li; Yong Zhang; Shao-Yun Zhang; Jun-Ru Qiu; Xiao-Ping Xu; Shun-Jun Ji; Xing-Wang Wang","Efficient synthesis of optically active 4-nitro-cyclohexanones via bifunctional thiourea-base catalyzed double-Michael addition of nitromethane to dienones","Chem.Commun.","2011","47","","3992","","10.1039/c0cc05418f","","","0.7107","MoKα","","","0.1503","","","","0.1494","","","","","","5.709","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106169","12.657","0.0009","5.2425","0.0003","14.9418","0.001","90","","105.291","0.007","90","","956.35","0.11","294","2","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl N2 O2 -","- C22 H19 Cl N2 O2 -","- C44 H38 Cl2 N4 O4 -","2","1","","Jun Jiang; Yunfei Cai; Weiliang Chen; Lili Lin; Xiaohua Liu; Xiaoming Feng","Enantioselective aza-Micheal reaction of hydrazide to chalcones through the nonactivated amine moiety conjugated addition","Chem.Commun.","2011","47","","4016","","10.1039/c0cc05804a","","","0.7107","MoKα","","0.0638","0.0464","","","0.1065","0.1209","","","","","","1.045","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106219","10.309","0.007","13.246","0.009","11.386","0.008","90","","113.54","0.011","90","","1425.4","1.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N4 O3 -","- C30 H38 N4 O3 -","- C60 H76 N8 O6 -","2","1","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.0825","0.0807","","","0.1624","0.1632","","","","","","1.302","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106251","7.0532","0.0014","15.697","0.003","8.973","0.0019","90","","99.348","0.003","90","","980.2","0.3","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 Br Cl N O2 -","- C22 H21 Br Cl N O2 -","- C44 H42 Br2 Cl2 N2 O4 -","2","1","","Ji-Rong Huang; Hai-Lei Cui; Jie Lei; Xun-Hao Sun; Ying-Chun Chen","Organocatalytic chemoselective asymmetric N-allylic alkylation of enamides","Chem.Commun.","2011","47","","4784","","10.1039/c0cc05616b","","","0.71073","MoKα","","0.0353","0.0284","","","0.0336","0.0344","","","","","","0.795","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106262","11.3398","0.0004","9.8085","0.0004","15.1771","0.0008","90","","97.93","0.004","90","","1671.95","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.7 H30.7 Cl2.1 N2 O10 -","- C32.7 H30.7 Cl2.1 N2 O10 -","- C65.4 H61.4 Cl4.2 N4 O20 -","2","1","","Sarah Pilgrim; Gabriele Kociok-Kohn; Matthew D. Lloyd; Simon E. Lewis","'Inosaminoacids': novel inosito-amino acid hybrid structures accessed by microbial arene oxidation","Chem.Commun.","2011","47","","4799","","10.1039/c1cc10643k","","","1.54184","CuKα","","0.0894","0.0612","","","0.1442","0.1612","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106276","18.087","0.0008","12.983","0.00006","51.775","0.0019","90","","93.39","","90","","12136.7","0.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C188 H244 Au4 F24 N4 O28 P4 Sb4 -","- C188 H244 Au4 F24 N4 O28 P4 Sb4 -","- C376 H488 Au8 F48 N8 O56 P8 Sb8 -","2","1","","Mihai Raducan; Carles Rodriguez-Escrich; Xacobe C. Cambeiro; Eduardo C. Escudero-Adan; Miquel A. Pericas; Antonio M. Echavarren","A Multipurpose Gold(I) Precatalyst","Chem.Commun.","2011","47","","4893","","10.1039/c1cc10293a","","","0.7378","synchrotron","","0.1494","0.1023","","","0.2732","0.2947","","","","","","1.09","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106395","18.0599","0.0008","10.8893","0.0005","18.3548","0.0008","90","","115.315","0.002","90","","3263","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H27 B F15 N -","- C35 H27 B F15 N -","- C140 H108 B4 F60 N4 -","4","2","","Zachariah Heiden; Douglas Stephan","Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+","Chem.Commun.","2011","47","","5729","","10.1039/c1cc10438a","","","0.71073","MoKα","","0.1273","0.0636","","","0.1527","0.1846","","","","","","1.027","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106405","8.907","0.0007","10.7113","0.0008","12.1263","0.0011","90","","103.42","0.009","90","","1125.33","0.16","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H19 B F10 Li N O4 -","- C20 H19 B F10 Li N O4 -","- C40 H38 B2 F20 Li2 N2 O8 -","2","1","","Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright","The hafnium-mediated NH activation of an amido-borane","Chem.Commun.","2011","47","","5870","","10.1039/c1cc11320h","","","0.71073","Mo-Kα","","0.0454","0.0301","","","0.0472","0.0492","","","","","","0.882","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106426","8.7809","0.0004","15.2321","0.0006","10.2323","0.0005","90","","94.03","0.005","90","","1365.2","0.11","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(pytren-4Q)](ClO4)2(H2O)","","","- C23 H32 Cl2 Mn N6 O9 -","- C23 H32 Cl2 Mn N6 O9 -","- C46 H64 Cl4 Mn2 N12 O18 -","2","1","","Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio","Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics","Chem.Commun.","2011","47","","5988","","10.1039/c1cc10526d","","","0.71073","MoKα","","0.1278","0.0746","","","0.1488","0.1806","","","","","","1.027","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106479","13.7868","0.0005","19.6213","0.0006","41.6885","0.0011","90","","95.757","0.003","90","","11220.5","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C140 H261 Cr12 F18 Gd2 N3 O52 -","- C140 H261 Cr12 F18 Gd2 N3 O52 -","- C280 H522 Cr24 F36 Gd4 N6 O104 -","2","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","","0.71073","MoKα","","0.1673","0.1283","","","0.3273","0.352","","","","","","1.051","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106495","16.835","0.003","13.587","0.003","19.79","0.004","90","","101.8","0.03","90","","4431","1.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C89 H106 N4 O22 Se4 -","- C89 H106 N4 O22 Se4 -","- C178 H212 N8 O44 Se8 -","2","1","","Zhang, Tao; Cheng, Liang; Hameed, Shahid; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective Michael addition of 2-oxindoles to vinyl selenone in RTILs catalyzed by a Cinchona alkaloid-based thiourea","Chemical Communications (Cambridge, United Kingdom)","2011","47","23","6644","6646","10.1039/c1cc10880h","","","0.71073","MoKα","","0.0759","0.0642","","","0.1319","0.1419","","","","","","1.109","","","","has coordinates","210408","2020-10-21","18:00:00",""
"7106504","6.1538","0.0011","21.31","0.004","11.187","0.002","90","","95.366","0.008","90","","1460.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","2","","Abraham L. Moure; Ramon Gomez Arrayas; Juan C. Carretero","Catalytic asymmetric conjugate boration of ?,?-unsaturated sulfones","Chem.Commun.","2011","47","","6701","","10.1039/c1cc11949d","","","0.71073","MoKα","","0.0591","0.0524","","","0.1481","0.1592","","","","","","1.034","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106514","17.061","0.006","11.823","0.004","21.703","0.007","90","","109.419","0.004","90","","4129","2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H46 Ca Cl2 N6 O12 -","- C34 H46 Ca Cl2 N6 O12 -","- C136 H184 Ca4 Cl8 N24 O48 -","4","2","","Masaki Yamamura; Junya Miyake; Yuki Imamura; Tatsuya Nabeshima","Ca2±induced Folding of a Chiral Ditopic Receptor Based on a Pybox Ligand and Enhancement of Anion Recognition","Chem.Commun.","2011","47","","6801","","10.1039/c0cc05799a","","","0.71073","MoKα","","0.095","0.0622","","","0.1417","0.155","","","","","","1.026","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106520","4.1977","0.0002","18.0487","0.0009","9.8546","0.0005","90","","93.489","0.003","90","","745.23","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C36 H24 Br4 O4 -","2","1","","Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen","Asymmetric pyrene derivatives for organic field-effect transistors","Chem.Commun.","2011","47","","6960","","10.1039/c1cc11827g","","","0.71073","MoKα","","0.0692","0.0593","","0.075","0.0654","0.0654","","","","","","1.0493","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106655","14.705","0.003","23.293","0.004","15.049","0.003","90","","103.277","0.002","90","","5016.9","1.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H115 Fe4 N11 O18 -","- C105 H115 Fe4 N11 O18 -","- C210 H230 Fe8 N22 O36 -","2","1","","Yuan-Yuan Zhu; Xiao Guo; Chang Cui; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","An Enantiopure Fe(III)4 Single Molecule Magnet","Chem.Commun.","2011","47","","8049","","10.1039/c1cc12831k","","","0.71073","MoKα","","0.0634","0.0589","","","0.123","0.1265","","","","","","1.123","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7106656","14.705","0.003","23.33","0.005","15.038","0.003","90","","103.008","0.003","90","","5026.7","1.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H115 Fe4 N11 O18 -","- C105 H115 Fe4 N11 O18 -","- C210 H230 Fe8 N22 O36 -","2","1","","Yuan-Yuan Zhu; Xiao Guo; Chang Cui; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","An Enantiopure Fe(III)4 Single Molecule Magnet","Chem.Commun.","2011","47","","8049","","10.1039/c1cc12831k","","","0.71073","MoKα","","0.0925","0.0767","","","0.1445","0.1556","","","","","","1.095","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7106658","7.3174","0.0004","9.4739","0.0005","12.2845","0.0007","90","","96.793","0.003","90","","845.64","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 Fe O2 -","- C23 H18 Fe O2 -","- C46 H36 Fe2 O4 -","2","1","","Alfonso Latorre; Antonio Urbano; M. Carmen Carreno","Synthesis and chiroptical properties of ferrocene-[4]-helicenequinones: kinetic resolution of a planar-chiral diene","Chem.Commun.","2011","47","","8103","","10.1039/c1cc12921j","","","0.71073","MoKα","","0.0287","0.026","","","0.0622","0.0633","","","","","","1.057","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106679","14.8961","0.0003","8.09268","0.00012","16.9803","0.0003","90","","105.64","0.002","90","","1971.17","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44.75 H35.5 Cl3.5 P2 Pt -","- C44.75 H35.5 Cl3.5 P2 Pt -","- C89.5 H71 Cl7 P4 Pt2 -","2","1","","Arne Ficks; Ivan Martinez-Botella; Beverly Stewart; Ross W. Harrington; William Clegg; Lee J. Higham","Taming functionality: easy-to-handle chiral phosphiranes","Chem.Commun.","2011","47","","8274","","10.1039/c1cc12440d","","","0.71073","MoKα","","0.0358","0.0325","","","0.083","0.0838","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106686","9.5816","0.0005","12.4509","0.0007","16.5961","0.0009","90","","104.64","0.0007","90","","1915.62","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H44 N4 Ni O5 -","- C46 H44 N4 Ni O5 -","- C92 H88 N8 Ni2 O10 -","2","1","","Jiang Wang; Shengbin Zhou; Daizong Lin; Xiao Ding; Hualiang Jiang; Hong Liu","Highly diastereo- and enantioselective synthesis of syn-B-substituted tryptophans via asymmetric Michael addition of a chiral equivalent of nucleophilic glycine and sulfonylindoles","Chem.Commun.","2011","47","","8355","","10.1039/c1cc12619a","","","0.71073","MoKα","","0.0294","0.0267","","","0.0743","0.076","","","","","","1.066","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106693","10.4039","0.0004","11.4624","0.0004","12.6741","0.0004","90","","91.861","0.002","90","","1510.64","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H35 N O7 -","- C36 H35 N O7 -","- C72 H70 N2 O14 -","2","1","","Shuting Cai; Shaohua Xiang; Jing Zeng; Bala; Kishan; Gorityala; Xuewei Liu","Facile synthesis of carbohydrate-integrated isoxazolines through tandem [4 + 1] cycloaddition and rearrangement of 2-nitroglycals","Chem.Commun.","2011","47","","8676","","10.1039/c1cc12327k","","","0.71073","MoKα","","0.0507","0.0405","","","0.1015","0.1139","","","","","","1.08","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106697","7.7372","0.0002","15.5326","0.0003","11.9888","0.0002","90","","94.314","0.002","90","","1436.72","0.05","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Br F3 N2 O -","- C13 H18 Br F3 N2 O -","- C52 H72 Br4 F12 N8 O4 -","4","2","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0381","0.0312","","","0.0641","0.0666","","","","","","1.087","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106725","8.806","0.002","9.5007","0.0015","11.49","0.003","90","","111.951","0.014","90","","891.6","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 As N3 O5 Zn -","- C18 H16 As N3 O5 Zn -","- C36 H32 As2 N6 O10 Zn2 -","2","1","","Tian-Hua Zhou; Jian Zhang; Hai-Xia Zhang; Rui Feng; Jiang-Gao Mao","A ligand-conformation driving chiral generation and symmetry-breaking crystallization of a zinc(II) organoarsonate","Chem.Commun.","2011","47","","8862","","10.1039/c1cc12914g","","","0.71073","MoKα","","0.0382","0.0356","","","0.0723","0.0739","","","","","","1.03","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106726","8.806","0.002","9.5007","0.0015","11.49","0.003","90","","111.951","0.014","90","","891.6","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 As N3 O5 Zn -","- C18 H16 As N3 O5 Zn -","- C36 H32 As2 N6 O10 Zn2 -","2","1","","Tian-Hua Zhou; Jian Zhang; Hai-Xia Zhang; Rui Feng; Jiang-Gao Mao","A ligand-conformation driving chiral generation and symmetry-breaking crystallization of a zinc(II) organoarsonate","Chem.Commun.","2011","47","","8862","","10.1039/c1cc12914g","","","0.71073","MoKα","","0.0391","0.0367","","","0.0904","0.094","","","","","","0.669","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106795","14.471","0.003","16.704","0.003","17.748","0.004","90","","102.508","0.002","90","","4188.3","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C81 H132 Ce2 N4 O7 -","- C81 H132 Ce2 N4 O7 -","- C162 H264 Ce4 N8 O14 -","2","1","","Erin M. Broderick; Neng Guo; Tianpin Wu; Carola S. Vogel; Cuiling Xu; Jorg Sutter; Jeffrey T. Miller; Karsten Meyer; Thibault Cantat; Paula L. Diaconescu","Redox control of a polymerization catalyst by changing the oxidation state of the metal center","Chem.Commun.","2011","47","","9897","","10.1039/c1cc13117f","","","0.71073","MoKα","","0.0305","0.0265","","","0.055","0.0569","","","","","","0.995","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106822","9.5453","0.0003","6.9928","0.0002","13.4491","0.0004","90","","109.631","0.0013","90","","845.53","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O7 -","- C16 H20 N2 O7 -","- C32 H40 N4 O14 -","2","1","","Andrew F. Kyle; Pavol Jakubec; Dane M. Cockfield; Ed Cleator; John Skidmore; Darren J. Dixon","Total synthesis of (‒)-nakadomarin A","Chem.Commun.","2011","47","","10037","10039","10.1039/c1cc13665h","","","0.71073","MoKα","","0.05","0.0387","","0.0926","0.0796","0.0926","","","","","","0.9348","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106823","9.0669","0.0002","15.7455","0.0004","12.0613","0.0003","90","","96.0302","0.0013","90","","1712.38","0.07","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O7 -","- C16 H20 N2 O7 -","- C64 H80 N8 O28 -","4","2","","Andrew F. Kyle; Pavol Jakubec; Dane M. Cockfield; Ed Cleator; John Skidmore; Darren J. Dixon","Total synthesis of (‒)-nakadomarin A","Chem.Commun.","2011","47","","10037","10039","10.1039/c1cc13665h","","","0.71073","MoKα","","0.0794","0.044","","0.0978","0.0854","0.0978","","","","","","0.962","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106831","9.2407","0.0009","5.1056","0.0006","11.6424","0.0012","90","","105.335","0.004","90","","529.72","0.1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O -","- C11 H13 Br O -","- C22 H26 Br2 O2 -","2","1","","Abbas Hassan; Ian A. Townsend; Michael Krische","Catalytic Enantioselective Grignard Nozaki-Hiyama Methallylation from the Alcohol Oxidation Level: Chloride Compensates for p-Complex Instability","Chem.Commun.","2011","47","","10028","","10.1039/c1cc14392a","","","0.71075","MoKα","","0.0849","0.0469","","","0.077","0.0915","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106849","12.8888","0.0008","15.7816","0.001","24.2559","0.0016","90","","89.982","0.001","90","","4933.8","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[V(OR)3N](TBA)","","","- C46 H80 N2 O3 V -","- C45.955 H96.035 N2 O3 V -","- C183.82 H384.14 N8 O12 V4 -","4","2","","Stanislav Groysman; Dino Villagran; Danna Freedman; Daniel G. Nocera","Dinitrogen binding at vanadium in a tris(alkoxide) ligand environment","Chem.Commun.","2011","47","","10242","","10.1039/c1cc13645c","","","0.71073","MoKα","","0.1339","0.108","","","0.2664","0.2836","","","","","","1.093","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106863","4.7784","0.0018","10.846","0.004","8.48","0.003","90","","97.832","0.005","90","","435.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C12 H22 N6 O6 -","2","1","","Bani Kanta Sarma; Muhammed Yousufuddin; Thomas Kodadek","Acyl hydrazides as peptoid sub-monomers","Chem.Commun.","2011","47","","10590","","10.1039/c1cc12750k","","","0.71073","MoKα","","0.069","0.0564","","","0.1328","0.144","","","","","","1.087","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106864","9.6435","0.0014","6.5","0.001","14.39","0.002","90","","106.698","0.002","90","","864","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","((1S,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin- 3-yl)methanol","((1S,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","2","","Chuanqing Kang; Yabing He; Zheng Bian; Fushe Han; Xuepeng Qiu; Lianxun Gao","An organogel formed from a cyclic b-aminoalcohol","Chem.Commun.","2011","47","","10746","","10.1039/c1cc13179f","","","0.71073","MoKα","","0.0362","0.0321","","","0.0793","0.082","","","","","","1.052","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106870","9.5352","0.0017","21.7","0.004","11.136","0.002","90","","103.828","0.003","90","","2237.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C92 H108 N4 O28 S4 -","4","2","","Laura H. S. Smith; Trung Thanh Nguyen; Helen F. Sneddon; David J. Procter","Synthesis of the ABH rings of ecteinascidin 597 using a connective Pummerer-type cyclisation","Chem.Commun.","2011","47","","10821","","10.1039/c1cc13992d","","","0.71073","MoKα","","0.0345","0.033","","","0.0785","0.0795","","","","","","1.074","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106876","6.249","0.002","16.225","0.003","16.62","0.003","90","","91.93","0.02","90","","1684.1","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H44 O9 -","- C39 H44 O9 -","- C78 H88 O18 -","2","1","","Christian Brand; Markus Granitzka; Dietmar Stalke; Daniel B. Werz","Reducing the conformational flexibility of carbohydrates: locking the 6-hydroxyl group by cyclopropanes","Chem.Commun.","2011","47","","10782","","10.1039/c1cc14025f","","","0.71073","MoKα","","0.0348","0.031","","","0.0732","0.076","","","","","","1.042","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106896","11.8838","0.0007","21.2674","0.0013","15.6935","0.001","90","","104.187","0.001","90","","3845.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H38 Fe N2 -","- C51 H38 Fe N2 -","- C204 H152 Fe4 N8 -","4","2","","Bin Hu; Meng Meng; John S. Fossey; Weimin Mo; Xinquan Hu; Wei-Ping Deng","Optically pure bulky (hetero)arylalkyl carbinols via kinetic resolution","Chem.Commun.","2011","47","","10632","","10.1039/c1cc14591f","","","0.71073","MoKα","","0.0525","0.0417","","","0.093","0.0974","","","","","","0.951","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106932","11.3578","0.0013","8.7479","0.001","14.5673","0.0017","90","","103.89","0.002","90","","1405","0.3","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 Cl2 Mn N5 -","- C28 H31 Cl2 Mn N5 -","- C56 H62 Cl4 Mn2 N10 -","2","1","","Wai-Shan Chow; Yungen Liu; Chi-Ming Che","Practical manganese-catalysed highly enantioselective cis-dihydroxylation of electron-deficient alkenes and detection of a cis-dioxomanganese(V) intermediate by high resolution ESI-MS analysis","Chem.Commun.","2011","47","","11204","","10.1039/c1cc11999k","","","0.71073","MoKα","","0.0343","0.0287","","","0.0671","0.0695","","","","","","1.015","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107010","7.737","0.004","19.791","0.01","9.508","0.005","90","","95.17","0.007","90","","1450","1.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C72 H68 N4 O8 -","2","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0616","0.057","","","0.1537","0.162","","","","","","1.054","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107011","4.8977","0.0002","9.8763","0.0003","10.9901","0.0004","90","","93.229","0.002","90","","530.76","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Amit Banerjee; Ponminor Senthil Kumar; Sundarababu Baskaran","A Lewis acid initiated intramolecular cyclization of benzylidene acetal with an azide functional group: novel synthesis of oxazolines and oxazines","Chem.Commun.","2011","47","","12218","","10.1039/c1cc14722f","","","0.71073","MoKα","","0.053","0.034","","","0.1623","0.1102","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7107079","18.13","0.008","6.686","0.005","27.098","0.017","90","","98.098","0.017","90","","3252","3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Halichonine B HCl complex","","","- C58 H108 Cl4 N4 O5 -","- C58 H108 Cl4 N4 O5 -","- C116 H216 Cl8 N8 O10 -","2","1","","Osamu Ohno; Tatsuhiko Chiba; Seiji Todoroki; Hideaki Yoshimura; Norihito Maru; Ken Maekawa; Hiroshi Imagawa; Kaoru Yamada; Atsushi Wakamiya; Kiyotake Suenaga; Daisuke Uemura","Halichonines A, B, and C, Novel Cytotoxic Alkaloids from the Marine Sponge Halichondria okadai Kadota","Chem.Commun.","2011","47","","12453","","10.1039/c1cc15557a","","","0.71069","MoKa","","0.2588","0.1352","","","0.3374","0.4198","","","","","","1.128","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107106","11.1242","0.0005","6.2039","0.0003","13.0579","0.0006","90","","111.522","0.001","90","","838.34","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Cl N O3 -","- C19 H16 Cl N O3 -","- C38 H32 Cl2 N2 O6 -","2","1","","Feijun Wang; Shengke Li; Mingliang Qu; Mei-Xin Zhao; Lian-Jun Liu; Min Shi","A Highly Efficient Kinetic Resolution of Morita-Baylis-Hillman Adducts Achieved by N-Ar Axially Chiral Pd-Complexes Catalyzed Asymmetric Allylation","Chem.Commun.","2011","47","","12813","","10.1039/c1cc15543a","","","0.71073","MoKα","","0.0394","0.0337","","","0.0818","0.0855","","","","","","1.028","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107162","7.0606","0.0018","12.444","0.003","21.593","0.006","90","","94.26","0.002","90","","1892","0.8","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Br F3 O3 -","- C21 H16 Br F3 O3 -","- C84 H64 Br4 F12 O12 -","4","2","","Kazutaka Shibatomi; Fumito Kobayashi; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","A Diels-Alder approach to the enantioselective construction of fluoromethylated stereogenic carbon centers","Chem.Commun.","2012","48","","413","","10.1039/c1cc15889a","","","0.7107","MoKα","","0.0577","0.0457","","","0.1157","0.1277","","","","","","1.03","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107163","12.773","0.003","6.0463","0.0013","13.4","0.003","90","","90.851","0.003","90","","1034.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O3 -","- C22 H22 Br N O3 -","- C44 H44 Br2 N2 O6 -","2","1","","Huicai Huang; Kailong Zhu; Wenbin Wu; Zhichao Jin; Jinxing Ye","Highly diastereoselective and enantioselective Michael addition of 5H-oxazol-4-ones to ?,?-unsaturated ketones catalyzed by a new bifunctional organocatalyst with broad substrate scope and applicability","Chem.Commun.","2012","48","","461","","10.1039/c1cc15928c","","","0.71073","MoKα","","0.0468","0.0374","","","0.115","0.1319","","","","","","0.96","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107188","5.3211","0.0011","9.6312","0.0019","9.764","0.002","90","","101.1","0.03","90","","491.03","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H11 Co N O7 S -","- C5 H11 Co N O7 S -","- C10 H22 Co2 N2 O14 S2 -","2","1","","Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng","Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals","Chem.Commun.","2012","48","","705","","10.1039/c1cc16336a","","","0.71073","MoKα","","0.0476","0.0401","","","0.0743","0.0763","","","","","","1.075","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107197","8.676","0.0008","12.8793","0.0013","9.4794","0.0011","90","","99.158","0.001","90","","1045.73","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bo Jiang; Mian-Shuai Yi; Feng Shi; Shujiang Tu; Suresh Pindi; Patrick McDowell; Gguigen Li","A Multi-component Domino Reaction for the Direct Access to Polyfunctionalized indoles via Intermolecular Allylic sp3-C-H Esterification and Indolation","Chem.Commun.","2012","48","","808","","10.1039/c1cc15913e","","","0.71073","MoKα","","0.0638","0.0373","","","0.0564","0.0607","","","","","","1.009","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107206","8.4126","0.0011","13.2481","0.0019","12.0197","0.0015","90","","103.296","0.008","90","","1303.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H39 Au F6 P Sb -","- C22 H39 Au F6 P Sb -","- C44 H78 Au2 F12 P2 Sb2 -","2","1","","Rajashekharayya A.Sanguramath; Sanjib K.Patra; Michael Green; Christopher A. Russell","The coordination and polymerisation of cyclic 1,3-dienes by gold(I) cations","Chem.Commun.","2012","48","","1060","","10.1039/c1cc16193h","","","0.71073","MoKα","","0.0394","0.0321","","","0.0635","0.0666","","","","","","0.945","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107210","9.2224","0.0014","10.4748","0.0016","10.2384","0.0016","90","","104.482","0.003","90","","957.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 Br F2 N O2 -","- C20 H18 Br F2 N O2 -","- C40 H36 Br2 F4 N2 O4 -","2","1","","Qianyi Zhao; Xiaoyu Han; Yin Wei; Min Shi; Yixin Lu","Asymmetric [3+2] annulation of allenes with maleimides catalyzed by dipeptide-derived phosphines: facile creation of functionalized bicyclic cyclopentenes containing two tertiary stereogenic centers","Chem.Commun.","2012","48","","970","","10.1039/c2cc16904e","","","0.71073","MoKα","","0.092","0.0402","","","0.088","0.1005","","","","","","0.887","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107246","19.046","0.003","29.147","0.006","23.518","0.004","90","","100.477","0.011","90","","12838","4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H95 N74 Ni13 O17 -","- C42.5 H95 N74 Ni13 O17 -","- C170 H380 N296 Ni52 O68 -","4","2","","Gabriel Brunet; Fatemah Habib; Cyril Cook; Thushan Pathmalingam; Francis Loiseau; Ilia Korobkov; T.J.Burchell; Andre Beauchemin; Muralee Murugesu","A novel high-spin tridecanuclear NiII cluster with an azido-bridged core exhibiting disk-like topology","Chem.Commun.","2012","48","","1287","","10.1039/c2cc16221k","","","0.71073","MoKα","","0.1334","0.0763","","","0.1922","0.2366","","","","","","1.041","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107300","8.6912","0.0014","7.9895","0.0014","9.7878","0.0016","90","","97.672","0.003","90","","673.56","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N3 O2 -","- C14 H10 Br N3 O2 -","- C28 H20 Br2 N6 O4 -","2","1","","Lu Liu; Deyan Wu; Xiangmin Li; Sinan Wang; Hao Li; Jian Li; Wei Wang","Organocatalytic enantioselective conjugate addition of ketones to isatylidine malononitriles","Chem.Commun.","2012","48","","1692","","10.1039/c2cc17067a","","","0.71073","MoKα","","0.0463","0.0422","","","0.115","0.1173","","","","","","1.053","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107329","8.0612","0.0004","7.4986","0.0003","13.891","0.0006","90","","105.997","0.005","90","","807.16","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-chloromandelic acid","S-(2-chlorophenyl)(hydroxy)acetic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Roger J. Davey; Ghazala Sadiq; Kevin Back; Laura Wilkinson; Colin C. Seaton","The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach","Chem.Commun.","2012","48","","1976","","10.1039/c1cc16173c","","","0.71073","MoKα","","0.0432","0.0336","","","0.0733","0.0762","","","","","","0.989","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107342","5.7347","0.0003","17.0484","0.0009","10.2113","0.0006","90","","96.045","0.001","90","","992.78","0.09","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C36 H60 N4 O10 -","2","1","","Francelin Bouillere; Debby Feytens; Didier Gori; Regis Guillot; Cyrille Kouklovsky; Emeric Miclet; Valerie Alezra","Constrained a/V-peptides: a new stable extended structure in solution without any hydrogen bond and characterized by a four-fold symmetry","Chem.Commun.","2012","48","","1982","","10.1039/c2cc16852a","","x-ray","0.71073","MoKα","","0.0525","0.0414","","","0.1001","0.1053","","","","","","1.014","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107365","8.0573","0.0002","10.8477","0.0002","11.3405","0.0002","90","","107.716","0.002","90","","944.19","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 O5 S -","- C19 H19 N3 O5 S -","- C38 H38 N6 O10 S2 -","2","1","","Maitane Fernandez; Jose L. Vicario; Efraim Reyes; Luisa Carrillo; Dolores Badia","Organocatalytic Enantioselective Synthesis of 2,3-Dyhidropyridazines","Chem.Commun.","2012","48","","2092","","10.1039/c2cc17370k","","","1.54184","CuKα","","0.0254","0.025","","","0.0656","0.066","","","","","","1.03","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107401","13.2097","0.0007","8.5716","0.0005","17.6477","0.0009","90","","111.551","0.001","90","","1858.52","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 O4.5 -","- C20 H25 O4.5 -","- C80 H100 O18 -","4","2","","Bor-Cherng Hong; Che-Sheng Hsu; Gene-Hsiang Lee","Enantioselective total synthesis of (+)-galbulin via organocatalytic domino Michael-Michael-aldol condensation","Chem.Commun.","2012","48","","2385","","10.1039/c2cc16682h","","","0.71073","MoKα","","0.1072","0.0627","","","0.1149","0.1334","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107445","9.7565","0.0004","16.023","0.0005","5.58047","0.00028","90","","98.058","0.004","90","","863.77","0.06","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C24 H56 N16 O8 -","4","2","","Emilie Courvoisier; P. Andrew Williams; Gin Keat Lim; Colan E. Hughes; Kenneth D. M. Harris","The Crystal Structure of L-Arginine","Chem. Commun.","2012","48","","2761","2763","10.1039/c2cc17203h","powder diffraction","x-ray","1.5406","","","","","","","","","0.08497","","1.33","","","","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107451","13.1287","0.0016","5.9348","0.0007","15.3288","0.0019","90","","111.831","0.002","90","","1108.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O4 -","- C27 H20 Br N O4 -","- C54 H40 Br2 N2 O8 -","2","1","","De Wang; Yin Wei; Min Shi","Construction of adjacent spiro-quaternary and tertiary stereocenters through phosphine-catalyzed asymmetric [3+2] annulation of allenoates with alkylidene azlactones","Chem.Commun.","2012","48","","2764","","10.1039/c2cc17709a","","","0.71073","MoKα","","0.0435","0.0349","","","0.0723","0.0765","","","","","","0.873","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107452","8.4223","0.0014","6.1123","0.0011","14.743","0.003","90","","97.455","0.002","90","","752.5","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O4 -","- C14 H15 Br N2 O4 -","- C28 H30 Br2 N4 O8 -","2","1","","Michiko Sasaki; Tomo Takegawa; Hidaka Ikemoto; Masatoshi Kawahata; Kentaro Yamaguchi; Kei Takeda","Enantioselective Trapping of an a-Chiral Carbanion of Acyclic Nitrile by a Carbon Electrophile","Chem.Commun.","2012","48","","2897","","10.1039/c2cc00082b","","","0.71073","MoKα","","0.0407","0.0325","","","0.0701","0.0723","","","","","","0.972","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107487","11.197","0.0008","7.4443","0.0005","12.4368","0.0009","90","","98.003","0.002","90","","1026.56","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O4 -","- C23 H19 Br N2 O4 -","- C46 H38 Br2 N4 O8 -","2","1","","Michele Retini; Giulia Bergonzini; Paolo Melchiorre","Dioxindole in asymmetric catalytic synthesis: direct access to 3-substituted 3-hydroxy-2-oxindoles via 1,4-additions to nitroalkenes","Chem.Commun.","2012","48","","3336","","10.1039/c2cc30198a","","","0.71073","MoKα","","0.0325","0.0288","","","0.0841","0.0883","","","","","","0.696","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7107488","18.325","0.0018","18.8786","0.0019","20.298","0.002","90","","95.635","0.002","90","","6988.2","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H101 N12 O19.5 -","- C58 H88 N12 O19.5 -","- C232 H352 N48 O78 -","4","2","","Thomas Boddaert; Jordi Sola; Madeleine Helliwell; Jonathan Clayden","Chemical communication: conductors and insulators of screw-sense preference between helical oligo(aminoisobutyric acid) domains","Chem.Commun.","2012","48","","3397","","10.1039/c2cc00060a","","","0.71073","MoKα","","0.1221","0.0827","","","0.1912","0.2142","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107489","13.774","0.007","9.54","0.005","48.58","0.02","90","","94.375","0.009","90","","6365","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H88.5 N12 O14.25 -","- C57 H86 N12 O14.25 -","- C228 H344 N48 O57 -","4","2","","Thomas Boddaert; Jordi Sola; Madeleine Helliwell; Jonathan Clayden","Chemical communication: conductors and insulators of screw-sense preference between helical oligo(aminoisobutyric acid) domains","Chem.Commun.","2012","48","","3397","","10.1039/c2cc00060a","","","0.71073","MoKα","","0.161","0.1288","","","0.308","0.3294","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107490","9.989","0.0002","6.47394","0.00013","12.111","0.0003","90","","99.014","0.002","90","","773.52","0.03","123","","123","","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Klaus Harrar; Oliver Reiser","Enantioselective Synthesis of (-)-Paeonilide","Chem. Commun.","2012","48","","3457","","10.1039/c2cc18172j","","x-ray","1.54184","CuKα","","0.0452","0.0438","","","0.116","0.119","","","","","","1.036","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107526","8.12","0.0019","5.4244","0.0012","13.99","0.004","90","","91.881","0.008","90","","615.9","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C26 H24 F6 N2 O4 -","2","1","","Hiroyuki Kawai; Yutaka Sugita; Etsuko Tokunaga; Hiroyasu Sato; Motoo Shiro; Norio Shibata","Partially saturated fluorinated heterocycles: diastereo- and enantioselective synthesis of ?-trifluoromethyl-pyrroline carboxylates","Chem.Commun.","2012","48","","3632","","10.1039/c2cc18052a","","","1.54187","CuKα","","","0.0666","","","","0.1506","","","","","","0.81","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107556","5.25232","0.0001","20.3901","0.0004","12.9093","0.0003","90","","94.17","0.007","90","","1378.87","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C60 H48 F12 N4 O12 -","4","2","","Hiroyuki Kawai; Takashi Kitayama; Etsuko Tokunaga; Takashi Matsumoto; Hiroyasu Sato; Motoo Shiro; Norio Shibata","Catalytic enantioselective synthesis of ?-trifluoromethyl pyrrolines","Chem.Commun.","2012","48","","4067","","10.1039/c2cc18049a","","","1.54187","CuKα","","","0.0247","","","","0.0647","","","","","","1.099","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107559","24.136","0.005","13.526","0.005","24.539","0.005","90","0.005","116.872","0.005","90","0.005","7146","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1.CHDA","","","- C164 H182 N20 O2 Zn4 -","- C164 H182 N20 O2 Zn4 -","- C328 H364 N40 O4 Zn8 -","2","1","","Sanfaori Brahma; Sk. Asif Ikbal; Soumyajit Dey; Sankar Prasad Rath","Induction of supramolecular chirality in di-zinc(II) bisporphyrin via tweezer formation: synthesis, structure and rationalization of chirality","Chem.Commun.","2012","48","","4070","","10.1039/c2cc30526g","","","0.71073","MoKα","","0.0933","0.0593","","","0.1319","0.1501","","","","","","0.984","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107598","9.832","0.0005","28.1647","0.0016","14.3172","0.0008","90","","102.444","0.001","90","","3871.5","0.4","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H93 Cl4 Ir N4 O2 -","- C90 H93 Cl4 Ir N4 O2 -","- C180 H186 Cl8 Ir2 N8 O4 -","2","1","","Jing-Cui Wang; Zhen-Jiang Xu; Zhen Guo; Qing-Hai Deng; Cong-Ying Zhou; Xiao-Long Wan; Chi-Ming Che","Highly enantioselective intermolecular carbene insertion to C-H and Si-H bonds catalyzed by a chiral iridium(III) complex of a D4-symmetric Halterman porphyrin ligand","Chem.Commun.","2012","48","","4299","","10.1039/c2cc30441d","","","0.71073","MoKα","","0.0589","0.0508","","","0.1186","0.1219","","","","","","1.02","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107604","23.5849","0.0006","11.4526","0.0003","26.7997","0.0008","90","","93.476","0.002","90","","7225.5","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41.75 H47.5 O8 -","- C41.75 H47.5 O8 -","- C334 H380 O64 -","8","4","","Gang Xu; Xing-Wei Yang; Chun-Yan Wu; Xiao-Nian Li; Jia Su; Xu Deng; Yan Li; Hong-Bo Qin; Li-Xin Yang; Qin-Shi Zhao","Przewalskone: a cytotoxic adduct of a danshenol type terpenoid and an icetexane diterpenoid via hetero-Diels-Alder reaction from Salvia przewalskii","Chem.Commun.","2012","48","","4438","","10.1039/c2cc30405h","","","1.54178","CuKα","","0.1051","0.0852","","","0.2219","0.2367","","","","","","1.019","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107660","7.2479","0.0003","7.0711","0.0004","13.0826","0.0006","90","","98.024","0.005","90","","663.93","0.06","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Cl N2 -","- C14 H15 Cl N2 -","- C28 H30 Cl2 N4 -","2","1","","You-Dong Song; Shi-Kai Tian","A highly enantioselective catalytic Strecker reaction of cyclic (Z)-aldimines","Chem.Commun.","2012","48","","4899","","10.1039/c2cc31001e","","","0.71073","MoKα","","0.064","0.046","","","0.0895","0.0981","","","","","","1.024","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107700","12.6866","0.0015","5.7581","0.0007","14.916","0.0018","90","","113.145","0.002","90","","1001.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl N2 O5 -","- C22 H21 Cl N2 O5 -","- C44 H42 Cl2 N4 O10 -","2","1","","Liang-Liang Wang; Jian-Fei Bai; Lin Peng; Liang-Wen Qi; Li-Na Jia; Yun-Long Guo; Xi-Ya Luo; Xiaoying Xu; Li-xin Wang","Organocatalytic stereocontrolled synthesis of 3,3'-pyrrolidinyl spirooxindoles by [3+2] annulation of isocyanoesters with methyleneindolinones","Chem.Commun.","2012","48","","5175","","10.1039/c2cc30746d","","","0.71073","MoKα","","0.0366","0.0338","","","0.086","0.0878","","","","","","1.051","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107710","11.654","0.011","8.99","0.008","14.054","0.013","90","","108.273","0.017","90","","1398","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 Br N2 O3 -","- C33 H27 Br N2 O3 -","- C66 H54 Br2 N4 O6 -","2","1","","Lixin Li; Wenchao Chen; Wenguo Yang; Yuanhang Pan; Hongjun Liu; Choon-Hong Tan; Zhiyong Jiang","Bicyclic guanidine-catalyzed asymmetric Michael additions of 3-benzyl-substituted oxindoles to N-maleimides","Chem.Commun.","2012","48","","5124","","10.1039/c2cc31587d","","","0.71073","MoKα","","0.0731","0.0386","","","0.0731","0.0798","","","","","","0.843","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107714","9.0138","0.0008","12.0813","0.001","9.5129","0.0009","90","","109.254","0.004","90","","978","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 F2 N O2 S -","- C22 H19 F2 N O2 S -","- C44 H38 F4 N2 O4 S2 -","2","1","","Guillaume Compain; Kevin Jouvin; Agnes Martin-Mingot; Gwilherm Evano; Jerome Marrot; Sebastien Thibaudeau","Stereoselective hydrofluorination of ynamides: a straightforward synthesis of novel α-fluoroenamides","Chem.Commun.","2012","48","42","5196","5198","10.1039/c2cc31768k","","","0.71073","MoKα","","0.0294","0.0283","","","0.0779","0.0789","","","","","","1.084","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107726","11.6614","0.0014","45.415","0.006","12.8123","0.0016","90","","106.418","0.002","90","","6508.8","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2dfc3ca","","","- C120 H176 N10 O46 S5 -","- C120 H176 N10 O46 S5 -","- C240 H352 N20 O92 S10 -","2","1","","Drew A. Fowler; Simon J. Teat; Gary A. Baker; Jerry L. Atwood","Ionic galleries: a bilayered host-guest cocrystal of C-propyl pyrogallol[4]arene with an ionic liquid","Chem.Commun.","2012","48","","5262","","10.1039/c2cc31510f","","","0.7749","synchrotron","","0.0981","0.0859","","","0.2234","0.2336","","","","","","1.05","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107733","27.853","0.001","29.022","0.001","11.599","0.0005","90","","90.132","0.005","90","","9376","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C126 H91 Cl4 N5 O10 -","- C126 H91 Cl4.0005 N5 O10 -","- C504 H364 Cl16.002 N20 O40 -","4","2","","Alexey Kornev; Ekaterina Khakina; Sergey Troyanov; Alla Kushch; Alexander Peregudov; Dmitry Deryabin; Vyacheslav Martynenko; Pavel Troshin","Facile preparation of amine and amino acid adducts of [60]fullerene using chlorofullerene C60Cl6 as a precursor","Chem.Commun.","2012","48","","5461","","10.1039/c2cc00071g","","","0.905","synchrotron","","0.0919","0.0822","","","0.1872","0.1987","","","","","","1.016","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107744","14.142","0.004","8.134","0.002","19.517","0.005","90","","92.482","0.005","90","","2243","1","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","2","","Guo-Xing Li; Jin Qu","Enantioselective Friedel-Crafts reactions between phenols and N-tosylaldimines catalyzed by a leucine-derived bifunctional catalyst","Chem.Commun.","2012","48","","5518","","10.1039/c2cc31735d","","","0.71073","MoKα","","0.0509","0.0451","","","0.0907","0.0937","","","","","","1.03","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107760","9.549","0.007","7.829","0.005","10.026","0.007","90","","108.14","0.007","90","","712.3","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O9 -","- C13 H16 N2 O9 -","- C26 H32 N4 O18 -","2","1","","Christopher S. Theile; Larry W. McLaughlin","An Efficient Synthetic Approach to 6,5' (S) and 6,5' (R) - Cyclouridine","Chem.Commun.","2012","48","","5587","","10.1039/c2cc31597a","","","0.71073","MoKα","","0.0998","0.0577","","","0.104","0.1178","","","","","","1","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107761","12.29","0.004","5.9017","0.0017","16.991","0.005","90","","104.225","0.005","90","","1194.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl N O2 S -","- C28 H24 Cl N O2 S -","- C56 H48 Cl2 N2 O4 S2 -","2","1","","Honggang Cheng; Liang-Qiu Lu; Tao Wang; Jia-Rong Chen; Wen-Jing Xiao","Design of chiral sulfoxide-Schiff base hybrids and their application in Cu-catalyzed asymmetric Henry reactions","Chem.Commun.","2012","48","","5596","","10.1039/c2cc31907a","","","0.71073","MoKα","","0.0533","0.0432","","","0.1129","0.1252","","","","","","1.125","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107767","8.7478","0.0007","11.7579","0.001","10.7912","0.0009","90","","106.206","0.002","90","","1065.83","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","2","","Chong Kiat Tan; Chen Cheng Le; Ying-Yeung Yeung","Enantioselective bromolactonization of cis-1,2-disubstituted olefinic acids using an amino-thiocarbamate catalyst","Chem.Commun.","2012","48","","5793","","10.1039/c2cc31148h","","","0.71073","MoKα","","0.063","0.0451","","","0.0969","0.1035","","","","","","0.965","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107788","14.5514","0.0016","16.0909","0.0017","15.7159","0.0017","90","","112.017","0.001","90","","3411.4","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H58 Br Fe N2 O4 -","- C80 H52 Br Fe N2 O4 -","- C160 H104 Br2 Fe2 N4 O8 -","2","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1097","0.0986","","","0.2757","0.288","","","","","","1.259","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107791","12.5225","0.0014","25.289","0.003","15.7743","0.0018","90","","95.27","0.002","90","","4974.3","1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C113 H92 Cl2 Fe2 N4 O8 -","- C113 H80 Cl2 Fe2 N4 O8 -","- C226 H160 Cl4 Fe4 N8 O16 -","2","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1165","0.0889","","","0.2473","0.2713","","","","","","1.03","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107795","5.413","0.002","17.675","0.007","7.539","0.003","90","","96.083","0.005","90","","717.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-amino-6-bromo-4-(nitromethyl)-4H-chromene-3-carboxylate","","- C13 H13 Br N2 O5 -","- C13 H13 Br N2 O5 -","- C26 H26 Br2 N4 O10 -","2","1","","Gaosheng; Yang; Yang Gaosheng; Chongrong Luo; Xiaolong Mu; Tingting Wang; Xin-Yuan Liu","Highly efficient enantioselective three-component synthesis of 2-amino-4H-chromenes catalysed by chiral tertiary amine-thioureas","Chem.Commun.","2012","48","","5880","","10.1039/c2cc30731f","","","0.71073","MoKα","","0.0736","0.0547","","","0.143","0.1541","","","","","","0.988","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107796","9.397","0.006","5.142","0.003","12.852","0.008","90","","109.634","0.007","90","","584.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Amino-6-bromo-4-(nitromethyl)-4H-chromene-3-carbonitrile","","- C11 H8 Br N3 O3 -","- C11 H8 Br N3 O3 -","- C22 H16 Br2 N6 O6 -","2","1","","Gaosheng; Yang; Yang Gaosheng; Chongrong Luo; Xiaolong Mu; Tingting Wang; Xin-Yuan Liu","Highly efficient enantioselective three-component synthesis of 2-amino-4H-chromenes catalysed by chiral tertiary amine-thioureas","Chem.Commun.","2012","48","","5880","","10.1039/c2cc30731f","","","0.71073","MoKα","","0.1457","0.0811","","","0.1854","0.2211","","","","","","0.889","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107823","15.297","0.001","15.7262","0.0008","16.671","0.001","90","","90.778","0.006","90","","4010.1","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H116 Cl N O32 -","- C68 H116 Cl N O32 -","- C136 H232 Cl2 N2 O64 -","2","1","","Matthieu Jouffroy; Rafael Gramage-Doria; Dominique Armspach; Dominique Matt; Loic Toupet","Regioselective opening of proximally sulfato-capped cyclodextrins","Chem.Commun.","2012","48","","6028","","10.1039/c2cc31302b","","","0.71073","MoKα","","0.1298","0.068","","","0.1679","0.1911","","","","","","0.83","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107850","6.171","0.0012","10.688","0.002","18.481","0.004","90","","90.15","0.03","90","","1218.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N O11 -","- C25 H32 N O11 -","- C50 H64 N2 O22 -","2","1","","Hai Xia Ge; Jian Zhang; Ying Dong; Kai Cui; Bo-Yang Yu","Unique biocatalytic resolution of racemic tetrahydroberberrubine via kinetic glycosylation and enantio-selective sulfation","Chem.Commun.","2012","48","","6127","","10.1039/c2cc32175k","","","0.71073","MoKα","","0.0963","0.0672","","","0.1648","0.1835","","","","","","1.005","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107856","10.1884","0.0003","8.84867","0.00018","10.8335","0.0004","90","","112.663","0.004","90","","901.27","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C36 H44 Cl2 N2 O10 -","2","1","","Cruz, David Cruz; Sánchez-Murcia, Pedro A; Jørgensen, Karl Anker","Formal asymmetric enone aminohydroxylation: organocatalytic one-pot synthesis of 4,5-disubstituted oxazolidinones","Chemical Communications (Cambridge, United Kingdom)","2012","48","49","6112","6114","10.1039/c2cc32385k","","","0.71073","MoKα","","0.0269","0.0252","","","0.079","0.0815","","","","","","0.703","","","","has coordinates","210861","2020-10-21","18:00:00",""
"7107881","9.7876","0.0018","8.3007","0.0014","19.986","0.004","90","","94.442","0.004","90","","1618.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","2","","Chun-Ming Ting; Yi-Ling Hsu; Rai-Shung Liu","Gold-catalyzed isomerization of unactivated allenes into 1,3-dienes under ambient conditions","Chem.Commun.","2012","48","","6577","","10.1039/c2cc32131a","","","0.71073","MoKα","","0.0395","0.0337","","","0.0704","0.0727","","","","","","1.031","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107882","12.4236","0.0004","8.6723","0.0003","15.4909","0.0004","90","","111.688","0.001","90","","1550.86","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H N O6 S -","- C16 H13 N O6 S -","- C64 H52 N4 O24 S4 -","4","2","","Francesco Manoni; Claudio Cornaggia; James Murray; Sean Tallon; Stephen J. Connon","Catalytic, enantio- and diastereoselective synthesis of Y-butyrolactones incorporating quaternary stereocentres","Chem.Commun.","2012","48","","6502","","10.1039/c2cc32147e","","","1.54178","CuKα","","0.031","0.031","","","0.0762","0.0764","","","","","","1.782","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107940","9.5302","0.001","9.0426","0.0009","14.3609","0.0015","90","","95.873","0.002","90","","1231.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 O20 P2 V3 -","- C14 H22 O20 P2 V3 -","- C28 H44 O40 P4 V6 -","2","1","","Xiao-Jing Yang; Song-Song Bao; Tao Zheng; Li-Min Zheng","An enantioenriched vanadium phosphonate generated via asymmetric chiral amplification of crystallization from achiral sources showing a single-crystal-to-single-crystal dehydration process","Chem.Commun.","2012","48","","6565","","10.1039/c2cc32214e","","","0.71073","MoKα","","0.0503","0.049","","","0.1251","0.1268","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107956","7.2761","0.0004","7.6312","0.0005","14.6614","0.001","90","","95.224","0.005","90","","810.7","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((2S,3S)-1-(4-methoxyphenyl)-2-(3-nitrophenyl) pyrrolidin-3-yl)methanol","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","1","","Indresh Kumar; Nisar A. Mir; Vivek K. Gupta; Rajnikant","An organocatalytic direct Mannich-cyclization cascade as [3+2] annulation: asymmetric synthesis of 2,3-substituted pyrrolidines","Chem.Commun.","2012","48","","6975","","10.1039/c2cc33103a","","","0.71073","MoKα","","0.074","0.0467","","","0.092","0.1046","","","","","","1.041","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107976","10.132","0.002","20.141","0.004","21.01","0.004","90","","99.384","0.005","90","","4230.1","1.4","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Tetra peptide","Alpha gamma helix","","- C40 H62 N4 O8 -","- C40 H62 N4 O8 -","- C160 H248 N16 O32 -","4","2","","Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi","alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix","Chem.Commun.","2012","48","","7170","","10.1039/c2cc32911e","","x-ray","0.71073","MoKα","","0.1495","0.0592","","","0.1383","0.1832","","","","","","0.952","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107977","14.85","0.006","18.173","0.007","24.075","0.009","90","","107.254","0.007","90","","6205","4","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","hexaM","ALPHA-GAMMA mixed peptide","","- C54 H76 N6 O9.5 -","- C54 H76 N6 O9.5 -","- C216 H304 N24 O38 -","4","2","","Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi","alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix","Chem.Commun.","2012","48","","7170","","10.1039/c2cc32911e","","x-ray","0.71073","MoKα","","0.1256","0.0579","","","0.1406","0.1724","","","","","","0.784","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107985","10.8858","0.0017","5.9432","0.0009","12.636","0.002","90","","98.35","0.002","90","","808.8","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H23 N O2 S Si -","- C14 H23 N O2 S Si -","- C28 H46 N2 O4 S2 Si2 -","2","1","","Chungsik Kim; Tatsuya Uchida; Tsutomu Katsuki","Asymmetric olefin aziridination using a newly designed Ru(CO)(salen) complex as the catalyst","Chem.Commun.","2012","48","","7188","","10.1039/c2cc32997b","","","0.71073","MoKα","","0.0325","0.0283","","","0.0719","0.0735","","","","","","1.048","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108105","13.817","0.002","10.8098","0.0016","14.445","0.002","90","","99.403","0.003","90","","2128.5","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C84 H96 N8 O16 S4 -","4","2","","Kohsuke Ohmatsu; Ayano Goto; Takashi Ooi","Catalytic asymmetric Mannich-type reactions of alpha-cyano alpha-sulfonyl carbanions","Chem.Commun.","2012","48","","7913","","10.1039/c2cc32398b","","","0.71073","MoKα","","0.0647","0.0583","","","0.1345","0.1374","","","","","","1.157","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108190","11.6292","0.0015","7.7435","0.0011","12.2967","0.0016","90","","90.516","0.003","90","","1107.3","0.3","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 O3 Si -","- C20 H36 O3 Si -","- C40 H72 O6 Si2 -","2","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.0502","0.0449","","","0.1185","0.1233","","","","","","1.038","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108203","9.543","0.0003","12.2351","0.0004","13.8927","0.0004","90","","103.145","0.003","90","","1579.6","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Ge3.86 H33 K6 N11 Si4.14 Zn -","- Ge3.852 K6 N11 Si4.148 Zn -","- Ge7.704 K12 N22 Si8.296 Zn2 -","2","1","","Markus Waibel; Thomas Henneberger; Thomas F. Faessler","[(eta^2^-(Si/Ge)4)Zn(eta^2^-(Si/Ge)4)]^6^ ‒ novel Zintl clusters with mixed Si/Ge tetrahedra bridged by a Zn atom","Chem.Commun.","2012","48","","8676","","10.1039/c2cc33652a","","","0.71073","MoKα","","0.0657","0.0364","","","0.0746","0.0792","","","","","","0.824","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108236","7.3385","0.0004","38.88","0.002","9.7776","0.0006","90","","94.613","0.001","90","","2780.7","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","foldamers","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","2","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0541","0.0424","","","0.0961","0.1021","","","","","","1.034","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108253","12.3827","0.0005","6.2563","0.0003","16.7955","0.0012","90","","92.199","0.009","90","","1300.19","0.12","150","0.2","150","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 S Si -","- C24 H38 O6 S Si -","- C48 H76 O12 S2 Si2 -","2","1","","Vikas Sikervar; James C. Fleet; Philip Fuchs","A general approach to the synthesis of enantiopure 19-nor-Vitamin D3 and its C-2 phosphate analogs prepared from cyclohexadienyl sulfone","Chem.Commun.","2012","48","","9077","","10.1039/c2cc33054g","","","1.54184","CU-Kα","","0.073","0.068","","","0.173","0.178","","","","","","1.093","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7108270","9.9316","0.0008","8.1197","0.0007","14.0243","0.0012","90","","92.344","0.002","90","","1130","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N O4 S2 -","- C23 H20 Br N O4 S2 -","- C46 H40 Br2 N2 O8 S4 -","2","1","","Wenbin Wu; Huicai Huang; Xiaoqian Yuan; Kailong Zhu; Jinxing Ye","Asymmetric construction of spirocyclohexanonerhodanines catalyzed by simple diamine derived from chiral tert-leucine","Chem.Commun.","2012","48","","9180","","10.1039/c2cc34321e","","","0.71073","MoKα","","0.0404","0.035","","","0.0843","0.0867","","","","","","0.982","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108321","11.9648","0.0003","11.3421","0.0004","12.6719","0.0004","90","","117.419","0.0013","90","","1526.48","0.08","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H37 B F4 N2 O3 -","- C31 H37 B F4 N2 O3 -","- C62 H74 B2 F8 N4 O6 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Rushabh S. Shah; James E. Thomson","(‒)-(S)-Nakinadine B: first asymmetric synthesis","Chem.Commun.","2012","48","","9236","","10.1039/c2cc34808j","","","0.71073","MoKα","","0.0599","0.0408","","0.114","0.095","0.114","","","","","","0.9551","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108331","11.8192","0.0005","7.6891","0.0004","12.4699","0.0005","90","","101.026","0.0012","90","","1112.33","0.09","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N O7 P -","- C22 H28 N O7 P -","- C44 H56 N2 O14 P2 -","2","1","","Masashi Shibata; Masahiro Ikeda; Kazuki Motoyama; Yoshihiro Miyake; Yoshiaki Nishibayashi","Enantioselective alkylation of beta-keto phosphonates by direct use of diaryl methanols as electrophiles","Chem.Commun.","2012","48","","9528","","10.1039/c2cc35262a","","","0.71075","MoKα","","","0.0352","","","","0.0653","","","","","","1","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108372","11.3493","0.0002","6.9182","0.0001","13.3601","0.0003","90","","104.616","0.001","90","","1015.04","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C20 H20 Br N3 O4 -","- C20 H20 Br N3 O4 -","- C40 H40 Br2 N6 O8 -","2","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0504","0.0368","","","0.087","0.0927","","","","","","1.059","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108373","4.9219","0.0001","10.158","0.0003","16.0223","0.0005","90","","90.145","0.002","90","","801.06","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C14 H21 N3 O4 S -","- C14 H21 N3 O4 S -","- C28 H42 N6 O8 S2 -","2","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0372","0.0345","","","0.0804","0.0821","","","","","","1.033","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108390","11.1653","0.0002","5.4308","0.0001","19.3601","0.0004","90","","106.029","0.0007","90","","1128.29","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-methyl-1-(3-((S)-5-methyl-2-oxo-3-phenylimidazolidin-1-yl)phenyl)-3 -(3-nitrophenyl)imidazolidin-2-one","","- C26 H25 N5 O4 -","- C26 H25 N5 O4 -","- C52 H50 N10 O8 -","2","1","","Charlotte L. Sutherell; Sam Thompson; Richard T. W. Scott; Andrew D. Hamilton","Aryl-linked imidazolidin-2-ones as non-peptidic beta-strand mimetics","Chem.Commun.","2012","48","","9834","","10.1039/c2cc34791a","","","0.71073","MoKα","","0.0444","0.0374","","0.0441","0.0379","0.0366","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108398","6.2543","0.0003","14.7919","0.0006","9.4637","0.0005","90","","101.721","0.005","90","","857.26","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","","Zhenjun Mao; Haijun Qu; Yanyan Zhao; Xufeng Lin","A general access to 1,1-cyclopropane aminoketones and their conversion into 2-benzoyl quinolines","Chem.Commun.","2012","48","","9927","","10.1039/c2cc35235d","","","1.54184","CuKα","","0.0445","0.0379","","","0.1049","0.1158","","","","","","1.118","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108399","8.71555","0.00018","8.71796","0.00019","12.4456","0.0003","90","","104.988","0.0014","90","","913.47","0.04","93.1","","93","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N O3 -","- C19 H24 Cl N O3 -","- C38 H48 Cl2 N2 O6 -","2","1","","Ryo Shintani; Tomoaki Ito; Midori Nagamoto; Haruka Otomo; Tamio Hayashi","Palladium-catalyzed asymmetric synthesis of 2-pyrrolidinones with a quaternary carbon stereocenter","Chem.Commun.","2012","48","","9936","","10.1039/c2cc35259a","","","1.54187","CuKα","","","0.0404","","","","0.102","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108418","3.7461","0.0004","32.774","0.003","10.2441","0.001","90","","99.745","0.004","90","","1239.6","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H10 O3 -","- C18 H10 O3 -","- C72 H40 O12 -","4","2","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","1.54188","CuKα","K-L~3~","0.1054","0.103","","","0.3259","0.3313","","","","","","3.018","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108468","15.061","0.008","28.353","0.016","17.069","0.01","90","","100.653","0.009","90","","7163","7","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H60 Co3 N7 O21 -","- C72 H52 Co3 N7 O21 -","- C144 H104 Co6 N14 O42 -","2","1","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.1554","0.1035","","","0.2847","0.326","","","","","","1.012","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108563","9.2264","0.0001","6.84999","0.00009","12.2116","0.0002","90","","99.843","0.001","90","","760.422","0.018","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","1","","Michael Carrol; Helge Muller-Bunz; Patrick J. Guiry","Enantioselective construction of sterically hindered tertiary alpha-aryl ketones: a catalytic asymmetric synthesis of isoflavanones","Chem.Commun.","2012","48","","11142","","10.1039/c2cc36452b","","","1.54184","CuKα","","0.0302","0.0292","","","0.0767","0.0785","","","","","","1.037","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108564","8.6325","0.0013","8.6693","0.0013","22.017","0.003","90","","92.146","0.002","90","","1646.5","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-5-chloro-3-(2-hydroxy-6-methoxynaphthalen-1-yl)-2,3- dihydro-1H-inden-1-one","(S)-5-chloro-3-(2-hydroxy-6-methoxynaphthalen-1-yl)-2,3-dihydro-1H-inden-1-one","","- C20 H15 Cl O3 -","- C20 H15 Cl O3 -","- C80 H60 Cl4 O12 -","4","2","","Enrico Paradisi; Paolo Righi; Andrea Mazzanti; Silvia Ranieri; Giorgio Bencivenni","Iminium ion catalysis: the enantioselective Friedel-Crafts alkylation-acetalization cascade of naphthols with alpha,beta-unsaturated cyclic ketones","Chem.Commun.","2012","48","","11178","","10.1039/c2cc35582e","","","0.71073","MoKα","","0.0634","0.0454","","","0.1124","0.1258","","","","","","1.044","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108568","10.9252","0.0007","8.9395","0.0006","11.2908","0.0007","90","","116.821","0.002","90","","984.09","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N4 O5 -","- C20 H20 N4 O5 -","- C40 H40 N8 O10 -","2","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0443","0.0386","","","0.0808","0.0833","","","","","","1.054","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108570","9.628","0.003","11.943","0.004","12.282","0.004","90","","91.847","0.006","90","","1411.5","0.8","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H27 Br N4 O5 -","- C31 H27 Br N4 O5 -","- C62 H54 Br2 N8 O10 -","2","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0326","0.03","","","0.0717","0.073","","","","","","0.994","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108610","7.975","0.003","8.53","0.003","11.592","0.005","90","","108.387","0.004","90","","748.3","0.5","123","2","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O Si -","- C18 H18 O Si -","- C36 H36 O2 Si2 -","2","1","","Yu Kurihara; Michihiro Nishikawa; Yoshinori Yamanoi; Hiroshi Nishihara","Synthesis of optically active tertiary silanes via Pd-catalyzed enantioselective arylation of secondary silanes","Chem.Commun.","2012","48","","11564","","10.1039/c2cc36238d","","","0.7107","MoKα","","","0.0277","","","","0.0719","","","","","","1.078","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7108630","4.888","0.0004","20.1498","0.0015","16.3117","0.0011","90","","94.175","0.005","90","","1602.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N4 O6 -","- C35 H40 N4 O6 -","- C70 H80 N8 O12 -","2","1","","Huijun Dong; Chris Limberakis; Spiros Liras; David Price; Keith James","Peptidic macrocyclization via palladium-catalyzed chemoselective indole C-2 arylation","Chem.Commun.","2012","48","","11644","","10.1039/c2cc36962a","","","1.54178","CuKα","","0.0803","0.0654","","","0.1532","0.1608","","","","","","1.048","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108641","9.685","0.002","20.844","0.004","13.606","0.002","90","","108.383","0.003","90","","2606.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 Ca N6 O4 -","- C64 H56 Ca N6 O4 -","- C128 H112 Ca2 N12 O8 -","2","1","","Tracy D. Nixon; Benjamin D. Ward","Calcium amido-bisoxazoline complexes in asymmetric hydroamination/cyclisation catalysis","Chem.Commun.","2012","48","","11790","","10.1039/c2cc37021b","","","1.54187","CuKα","","0.0316","0.0305","","","0.0813","0.0818","","","","","","1.052","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108672","14.1877","0.0007","8.338","0.0002","20.9652","0.0009","90","","101.305","0.002","90","","2432","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Fe I2 O4 -","- C22 H28 Fe I2 O4 -","- C88 H112 Fe4 I8 O16 -","4","2","","Huy V. Nguyen; Zheng-yun Zhao; Antoine Sallustrau; Sarah L. Horswell; Louise Male; Andrea Mulas; James H. R. Tucker","A ferrocene nucleic acid oligomer as an organometallic structural mimic of DNA","Chem.Commun.","2012","48","","12165","","10.1039/c2cc36428j","","","0.71073","MoKα","","0.0654","0.0464","","","0.0962","0.1054","","","","","","1.039","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108757","7.58267","0.0002","12.6657","0.0003","9.2185","0.0002","90","","100.735","0.003","90","","869.85","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Ga N3 O7 -","- C15 H26 Ga N3 O7 -","- C30 H52 Ga2 N6 O14 -","2","1","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","","0.7107","MoKα","Mo","0.0376","0.0322","","","0.067","0.0702","","","","","","1.044","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108785","9.376","0.005","24.91","0.013","10.433","0.005","90","","92.512","0.009","90","","2434","2","100","","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H53 F18 N4 O4 P -","- C42 H53 F18 N4 O4 P -","- C84 H106 F36 N8 O8 P2 -","2","1","","Philippa B. Cranwell; Jennifer R. Hiscock; Cally J. E. Haynes; Mark E. Light; Neil J. Wells; Philip A. Gale","Anion recognition and transport properties of sulfamide-, phosphoric triamide- and thiophosphoric triamide-based receptors","Chemical communications (Cambridge, England)","2013","49","9","874","876","10.1039/c2cc38198b","","","0.71075","MoKα","","0.0838","0.075","","","0.1999","0.2123","","","","","","1.081","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108836","10.6545","0.0013","20.649","0.003","13.3304","0.0016","90","","99.311","0.002","90","","2894.1","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H42 Br4 N4 O10 S2 -","- C48 H42 Br4 N4 O10 S2 -","- C96 H84 Br8 N8 O20 S4 -","2","1","","Jianhao Li; Taiping Du; Gang Zhang; Yungui Peng","3-Bromooxindoles as nucleophiles in asymmetric organocatalytic Mannich reactions with N-Ts-imines","Chemical communications (Cambridge, England)","2013","49","13","1330","1332","10.1039/c2cc38475b","","","0.71073","MoKα","","0.1212","0.0823","","","0.2286","0.2875","","","","","","1.081","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108840","11.5684","0.0002","10.3734","0.00015","13.8042","0.0003","90","","113.134","0.002","90","","1523.35","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C68 H64 N8 O12 -","2","1","","Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng","Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2013","49","14","1401","1403","10.1039/c2cc38349g","","","1.54184","CuKα","","0.0406","0.0364","","","0.0937","0.0983","","","","","","1.051","","","","has coordinates","210831","2020-10-21","18:00:00",""
"7108857","6.7414","0.0002","8.5308","0.0002","20.28","0.0004","90","","94.853","0.001","90","","1162.11","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C48 H56 N4 O10 -","2","1","","Alexandre Jean; Jerome Blanchet; Jacques Rouden; Jacques Maddaluno; Michael De Paolis","Stereoselective access to heteroarylmethylene-substituted pyrrolidines: fully organocatalytic Mannich-hydroamination reactions","Chemical communications (Cambridge, England)","2013","49","16","1651","1653","10.1039/c2cc38954a","","","0.71073","MoKα","","0.0569","0.0462","","","0.1247","0.1335","","","","","","1.03","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108874","9.0326","0.0006","22.2434","0.0014","9.4427","0.0006","90","","114.527","0.003","90","","1726","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H40 B Cr N3 O5 Si2 -","- C31 H40 B Cr N3 O5 Si2 -","- C62 H80 B2 Cr2 N6 O10 Si4 -","2","1","","Holger Braunschweig; Thomas Herbst; Krzysztof Radacki; Christopher W. Tate; Alfredo Vargas","Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides","Chemical communications (Cambridge, England)","2013","49","17","1702","1704","10.1039/c3cc38379b","","","0.71073","MoKα","","0.0334","0.0285","","","0.0692","0.071","","","","","","1.028","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108880","12.461","0.0002","15.7685","0.0002","19.4788","0.0003","90","","102.946","0.002","90","","3730.13","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit(6)uril/neutral adrenaline inclusion complex","","","- C54 H98 N26 O36 -","- C54 H62 N26 O35.561 -","- C108 H124 N52 O71.122 -","2","1","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","1.54184","CuKα","","0.0859","0.0774","","","0.2228","0.2355","","","","","","1.054","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108934","10.1664","0.0007","10.5548","0.0007","10.8876","0.0007","90","","94.129","0.004","90","","1165.25","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C20 H31 N3 O5 S -","- C20 H31 N3 O5 S -","- C40 H62 N6 O10 S2 -","2","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0392","0.0366","","","0.1028","0.1066","","","","","","1.033","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108986","11.435","0.005","9.023","0.004","15.152","0.007","90","","99.011","0.01","90","","1544.1","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H30 N4 Ni O3 -","- C35 H30 N4 Ni O3 -","- C70 H60 N8 Ni2 O6 -","2","1","","Daizong Lin; Jiang Wang; Xu Zhang; Shengbin Zhou; Jie Lian; Hualiang Jiang; Hong Liu","Highly diastereoselective synthesis of 3-indolylglycines via an asymmetric oxidative heterocoupling reaction of a chiral nickel(II) complex and indoles","Chem.Commun.","2013","49","","2575","","10.1039/c3cc38908a","","","0.71073","MoKα","","0.1828","0.1047","","","0.169","0.1989","","","","","","1.027","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108995","11.328","0.0003","8.9133","0.0002","11.9526","0.0003","90","","113.493","0.003","90","","1106.81","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O5 -","- C25 H21 Br N2 O5 -","- C50 H42 Br2 N4 O10 -","2","1","","Lara Cala; Abraham Mendoza; Francisco J. Fananas; Felix Rodriguez","A catalytic multicomponent coupling reaction for the enantioselective synthesis of spiroacetals","Chem.Commun.","2013","49","","2715","","10.1039/c3cc00118k","","x-ray","1.54184","CuKα","","0.0233","0.0232","","","0.0627","0.0631","","","","","","1.052","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7109000","12.895","0.002","9.0534","0.0016","13.089","0.002","90","","104.071","0.009","90","","1482.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","PEPSEQ A=5 PHE-GLY-ALA-PHE*-ILE","Phenyl-Glycyl-Alanyl-(α,β-dehydrophenylalanyl)-Isoleucine dihydrate","","- C29 H41 N5 O8 -","- C29 H41 N5 O8 -","- C58 H82 N10 O16 -","2","1","","Aseem Mishra; Anurag Misra; T. Sri Vaishnavi; Chaitanya Thota; Madhvi Gupta; Suryanarayanarao Ramakumar; Virander Singh Chauhan","Conformationally restricted short peptides inhibit human islet amyloid polypeptide (hIAPP) fibrillization","Chem.Commun.","2013","49","","2688","","10.1039/c3cc38982k","","x-ray","0.71073","MoKα","","0.103","0.0502","","","0.0892","0.1067","","","","","","0.978","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109082","9.941","0.004","7.947","0.003","12.485","0.004","90","","94.403","0.004","90","","983.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Jinlong Zhang; Xihong Liu; Xiaojuan Ma; Rui Wang","Direct asymmetric aldol addition-isomerization of alpha,beta-unsaturated gamma-butyrolactam with aryl alpha-ketoesters: synthesis of MBH-type products","Chem.Commun.","2013","49","","3300","","10.1039/c3cc40717a","","","0.71073","MoKα","","0.0372","0.0326","","","0.0982","0.107","","","","","","1.031","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109116","8.0885","0.0004","16.7224","0.0005","9.1381","0.0005","90","","113.44","0.006","90","","1134.01","0.1","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl O4 -","- C27 H23 Cl O4 -","- C54 H46 Cl2 O8 -","2","1","","Weidi Cao; Xiaohua Liu; Ruixue Peng; Peng He; Lili Lin; Xiaoming Feng","Catalytic asymmetric cross-dehydrogenative coupling: activation of C-H bonds by a cooperative bimetallic catalyst system","Chem.Commun.","2013","49","","3470","","10.1039/c3cc41315b","","","0.7107","MoKα","","0.0566","0.0427","","","0.08","0.0896","","","","","","1.047","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109122","9.612","0.001","16.4062","0.0017","14.7042","0.0015","90","","104.078","0.001","90","","2249.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H55 Cd2 N5 O19 -","- C37 H55 Cd2 N5 O19 -","- C74 H110 Cd4 N10 O38 -","2","1","","Qingxiang Yang; Zhijun Chen; Jinsong Hu; Ying Hao; Yizhi Li; Qingyi Lu; Hegen Zheng","A second-order nonlinear optical material with a hydrated homochiral helix obtained via spontaneous symmetric breaking crystallization from an achiral ligand","Chem.Commun.","2013","49","","3585","","10.1039/c3cc00299c","","","0.71073","MoKα","","0.0358","0.0345","","","0.0986","0.1107","","","","","","1.026","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109128","5.155","0.003","36.609","0.018","11.688","0.006","90","","102.638","0.009","90","","2152","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","2","","Dnyaneshwar Kand; Dinesh Pratapsinh Chauhan; Mayurika Lahiri; Pinaki Talukdar","delta-Unsaturated gamma-amino acids: enantiodivergent synthesis and cell imaging studies","Chem.Commun.","2013","49","","3591","","10.1039/c3cc40824h","","","0.71073","MoKα","","0.1369","0.0632","","","0.12","0.1503","","","","","","0.999","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109146","7.419","0.003","32.757","0.007","8.541","0.003","90","","99.572","0.004","90","","2046.8","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O2 -","- C27 H20 Br N O2 -","- C108 H80 Br4 N4 O8 -","4","2","","Neng-jun Zhong; Li Liu; Dong Wang; Yong-Jun Chen","Enantioselective tandem reaction of chromone-derived Morita-Baylis-Hillman carbonates with benzylamines catalyzed by a trifunctional organocatalyst: the synthesis of chiral 3-aminomethylene-flavanones","Chem.Commun.","2013","49","","3697","","10.1039/c3cc41011k","","","0.71073","MoKα","","0.1085","0.0951","","","0.213","0.2251","","","","","","1.049","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109162","8.461","0.003","35.503","0.013","10.318","0.004","90","","90.898","0.006","90","","3099","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H34 N2 O7 S -","- C34 H31 N2 O7 S -","- C136 H124 N8 O28 S4 -","4","2","","Hua Lin; Yu Tan; Wen-Jie Liu; Zhi-Cheng Zhang; Xing-Wen Sun; Guo-Qiang Lin","A highly efficient access to enantiopure tetrahydropyridines: dual-organocatalyst-promoted asymmetric cascade reaction","Chem.Commun.","2013","49","","4024","","10.1039/c3cc40690c","","","0.71073","MoKα","","0.1836","0.0646","","","0.1508","0.2116","","","","","","0.815","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109208","7.588","0.002","10.733","0.003","10.934","0.003","90","","102.039","0.006","90","","870.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C34 H34 Br2 N4 O8 S2 -","2","1","","Ling Zhou; Daniel Weiliang Tay; Jie Chen; Gulice Yiu Chung Leung; Ying-Yeung Yeung","Enantioselective synthesis of 2-substituted and 3-substituted piperidines through a bromoaminocyclization process","Chem.Commun.","2013","49","","4412","","10.1039/c2cc36578b","","","0.71073","MoKα","","0.0269","0.0257","","","0.0672","0.0691","","","","","","1.063","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109260","10.971","0.0007","7.7678","0.0004","11.9253","0.0008","90","","104.942","0.001","90","","981.92","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.0475","0.0406","","","0.1151","0.1209","","","","","","1","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109289","19.2119","0.0003","14.9703","0.0003","19.5719","0.0003","90","","92.512","0.001","90","","5623.62","0.17","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C95 H60 Al2 B2 Cl2 F72 Fe2 N2 O10 -","- C95 H60 Al2 B2 Cl2 F72 Fe2 N2 O10 -","- C190 H120 Al4 B4 Cl4 F144 Fe4 N4 O20 -","2","1","","Jiawei Chen; Roger A. Lalancette; Frieder Jakle","Synthesis and Lewis acid properties of a ferrocene-based planar-chiral borenium cation","Chem.Commun.","2013","49","","4893","","10.1039/c3cc41556b","","","1.54178","CuKα","","0.088","0.075","","","0.189","0.201","","","","","","1.03","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109338","10.0536","0.0003","38.7489","0.0011","11.7046","0.0003","90","","92.61","0.002","90","","4555","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C102.5 H101 N12 O15 -","- C102.5 H97 N12 O15 -","- C205 H194 N24 O30 -","2","1","","Nigel S. Simpkins; Damian F. Weske; Louise Male; Simon J. Coles; Mateusz B. Pitak","Synthesis of fumaramide derived [3]rotaxanes as potential precursors for molecular boxes","Chem.Commun.","2013","49","","5010","","10.1039/c3cc42045k","","","1.54184","CuKα","","0.0549","0.0509","","","0.1353","0.1385","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109339","20.2555","0.0019","19.4335","0.0019","20.627","0.002","90","","108.397","0.001","90","","7704.5","1.3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H39.25 F N8 O14.62 P Zn2 -","- C32 H38.5 F N8 O14.625 P Zn2 -","- C256 H308 F8 N64 O117 P8 Zn16 -","8","4","","Haiying Gan; Allen G. Oliver; Bradley D. Smith","Fluorine NMR reporter for phosphate anions","Chem.Commun.","2013","49","","5070","","10.1039/c3cc42169d","","","0.71073","MoKα","","0.0361","0.0295","","","0.066","0.0687","","","","","","1.015","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7109342","8.8827","0.0005","12.1922","0.0005","13.0916","0.0006","90","","93.129","0.004","90","","1415.7","0.12","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H31 B2 Cu F8 N5 O4 -","- C23 H31 B2 Cu F8 N5 O4 -","- C46 H62 B4 Cu2 F16 N10 O8 -","2","1","","Takuya Konno; Kazuya Koide; Takayuki Ishida","A supramolecular switch between ground high- and low-spin states using 2,2':6',2''-terpyridine-6,6''-diyl bis(tert-butyl nitroxide)","Chem.Commun.","2013","49","","5156","","10.1039/c3cc41894d","","","0.71073","MoKα","","","0.0462","","","","0.0702","","","","","","1.088","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109357","8.2288","0.0007","17.0237","0.0014","9.8162","0.0008","90","","106.686","0.009","90","","1317.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","ValZnBF4","","","- C22 H33 B F4 N4 O5 Zn -","- C22 H31 B F4 N4 O5 Zn -","- C44 H62 B2 F8 N8 O10 Zn2 -","2","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0561","0.0539","","","0.1659","0.1705","","","","","","1.078","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109358","10.765","0.0005","16.6683","0.0007","14.6753","0.0007","90","","100.662","0.004","90","","2587.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","ValZnClO4","","","- C22 H33 Cl N4 O9 Zn -","- C22 H31 Cl N4 O9 Zn -","- C88 H124 Cl4 N16 O36 Zn4 -","4","2","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0495","0.0448","","","0.1085","0.1121","","","","","","1.045","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109359","11.382","0.0009","5.6425","0.0006","11.8926","0.001","90","","106.817","0.008","90","","731.11","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O -","- C18 H18 O -","- C36 H36 O2 -","2","1","","Zhenni Ma; Fang Xie; Han Yu; Yiren Zhang; Xiaoting Wu; Wanbin Zhang","Copper-catalyzed asymmetric 1,4-conjugate addition of Grignard reagents to linear alpha,beta,gamma,delta-unsaturated ketones","Chem.Commun.","2013","49","","5292","","10.1039/c3cc42088d","","","0.71073","MoKα","","0.0735","0.0409","","","0.063","0.0719","","","","","","0.954","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109363","10.178","0.003","19.832","0.005","14.229","0.004","90","","107.156","0.004","90","","2744.3","1.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H42 Cl F9 Mn2 N10 O13 S3 -","- C49 H42 Cl F9 Mn2 N10 O13 S3 -","- C98 H84 Cl2 F18 Mn4 N20 O26 S6 -","2","1","","Domenick F. Leto; Rena Ingram; Victor W. Day; Timothy A. Jackson","Spectroscopic properties and reactivity of a mononuclear oxomanganese(IV) complex","Chem.Commun.","2013","49","","5378","","10.1039/c3cc00244f","","","0.71073","MoKα","","0.0738","0.0598","","","0.1186","0.1246","","","","","","0.988","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109365","10.9939","0.0002","6.7391","0.0001","12.6864","0.0003","90","","111.328","0.001","90","","875.55","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Xuequan Wang; Hongbin Zhang; Xiaodong Yang; Jingfeng Zhao; Chengxue Pan","Enantioselective total synthesis of (+)-brazilin, (-)-brazilein and (+)-brazilide A","Chem.Commun.","2013","49","","5405","","10.1039/c3cc42385a","","","1.54178","CuKα","","0.0279","0.0278","","","0.0718","0.0719","","","","","","1.097","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109369","9.2088","0.0019","10.632","0.002","10.884","0.002","90","","108.969","0.002","90","","1007.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C38 H58 N2 O6 S2 -","2","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0427","0.0358","","","0.0874","0.106","","","","","","1.1","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109371","5.615","0.016","10.35","0.03","11.29","0.03","90","","102.9","0.03","90","","640","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C22 H28 Cl2 N2 O2 S2 -","2","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0508","0.0352","","","0.08","0.0995","","","","","","1.153","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109375","9.4413","0.0002","15.6524","0.0003","9.8374","0.0002","90","","114.578","0.0014","90","","1322.05","0.05","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C56 H48 Cl4 N4 O12 S4 -","4","2","","Takahiro Nishimura; Yusuke Ebe; Hiroto Fujimoto; Tamio Hayashi","Asymmetric synthesis of gem-diaryl substituted cyclic sulfamidates and sulfamides by rhodium-catalyzed arylation of cyclic ketimines","Chem.Commun.","2013","49","","5504","","10.1039/c3cc42071j","","","1.54187","CuKα","","0.0598","0.0505","","","0.1243","0.1379","","","","","","1.02","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109385","9.1775","0.0002","10.7628","0.0002","16.9499","0.0005","90","","107.577","0.002","90","","1596.07","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((2S, 3S)-1-(4-methoxyphenyl)-2-(pyridin-4-yl)piperidin-3-yl)methanol","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","2","","Indresh Kumar; Panduga Ramaraju; Nisar A. Mir; Deepika Singh; Vivek K. Gupta","Highly enantioselective [4+2] annulation via organocatalytic Mannich-reductive cyclization: one-pot synthesis of functionalized piperidines","Chem.Commun.","2013","49","","5645","","10.1039/c3cc42431f","","","0.71073","MoKα","","0.0799","0.0526","","","0.1239","0.1359","","","","","","1.035","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109405","12.103","0.0011","21.0076","0.0013","16.8156","0.0009","90","","97.335","0.006","90","","4240.5","0.5","110","2","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H72 N8 -","- C72 H72 N8 -","- C144 H144 N16 -","2","1","","Fan Yang; Zhigang Wang; Feijie Song; Xingyan Liu; Jingbo Lan; Jingsong You","One-step synthesis of imidazoline-containing macrocycles and their complexation with fullerenes C60 and C70","Chem.Commun.","2013","49","","5975","","10.1039/c3cc42640h","","","0.71073","MoKα","","0.1635","0.0671","","","0.1354","0.1544","","","","","","0.697","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109429","8.15436","0.00007","8.76221","0.00007","12.131","0.0001","90","","107.081","0.001","90","","828.53","0.013","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C40 H44 O6 -","2","1","","Marco Blangetti; Helge Muller-Bunz; Donal F. O'Shea","First asymmetric synthesis of planar chiral [2.2]metacyclophanes","Chem.Commun.","2013","49","","6125","","10.1039/c3cc42275e","","","1.54184","CuKα","","0.0273","0.0269","","","0.0728","0.0732","","","","","","1.067","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109495","7.736","0.004","8.914","0.004","9.594","0.004","90","","98.839","0.006","90","","653.7","0.5","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H17 N -","- C16 H17 N -","- C32 H34 N2 -","2","1","","David Stephens; Yu Zhang; Mathew Cormier; Gabriel Chavez; Hadi Arman; Oleg V. Larionov","Three-component reaction of small-ring cyclic amines with arynes and acetonitrile","Chem.Commun.","2013","49","","6558","","10.1039/c3cc42854k","","","0.71073","MoKα","","0.0353","0.034","","","0.0768","0.0777","","","","","","1.003","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109500","9.286","0.005","27.646","0.016","16.326","0.009","90","","94.865","0.01","90","","4176","4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Ir N5 O3 -","- C30 H28 Ir N5 O3 -","- C180 H168 Ir6 N30 O18 -","6","3","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.097","0.0681","","","0.1225","0.1319","","","","","","0.96","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109531","12.946","0.002","13.28","0.002","13.803","0.002","90","","112.237","0.002","90","","2196.6","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Mn2 N12 Nb O8 -","- C36 H32 Mn2 N12 Nb O8 -","- C72 H64 Mn4 N24 Nb2 O16 -","2","1","","Szymon Chorazy; Robert Podgajny; Wojciech Nitek; Tomasz Fic; Edward Gorlich; Michal Rams; Barbara Sieklucka","Natural and magnetic optical activity of 2-D chiral cyanido-bridged MnII-NbIV molecular ferrimagnets","Chem.Commun.","2013","49","","6731","","10.1039/c3cc43195a","","","0.71073","MoKα","","0.043","0.035","","","0.0827","0.1012","","","","","","1.176","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109532","12.95","0.005","13.276","0.005","13.81","0.005","90","0.005","112.258","0.005","90","0.005","2197.4","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Mn2 N12 Nb O8 -","- C36 H32 Mn2 N12 Nb O8 -","- C72 H64 Mn4 N24 Nb2 O16 -","2","1","","Szymon Chorazy; Robert Podgajny; Wojciech Nitek; Tomasz Fic; Edward Gorlich; Michal Rams; Barbara Sieklucka","Natural and magnetic optical activity of 2-D chiral cyanido-bridged MnII-NbIV molecular ferrimagnets","Chem.Commun.","2013","49","","6731","","10.1039/c3cc43195a","","","0.71069","MoKα","","0.0373","0.0313","","","0.0749","0.0792","","","","","","1.047","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109561","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Xiaofeng Ma; Qin Tang; Jun Ke; Jichao Zhang; Cong Wang; Haibo Wang; Yuxue Li; Huawu Shao","Straightforward and highly diastereoselective synthesis of 2,2-di-substituted perhydrofuro[2,3-b]pyran (and furan) derivatives promoted by BiCl3","Chem.Commun.","2013","49","","7085","","10.1039/c3cc42292e","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109565","7.9925","0.0002","16.7779","0.0004","10.6442","0.0003","90","","111.582","0.003","90","","1327.29","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C62 H70 N2 O4 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.5418","CuKα","","0.0343","0.0325","","0.0833","0.0816","0.0833","","","","","","0.9942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109567","5.515","0.0002","7.6423","0.0003","17.2563","0.0006","90","","90.531","0.003","90","","727.27","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 B F4 N O2 -","- C13 H18 B F4 N O2 -","- C26 H36 B2 F8 N2 O4 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.5418","CuKα","","0.0362","0.0352","","0.0921","0.0912","0.0921","","","","","","1.0004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109584","14.2758","0.0007","10.502","0.0007","39.927","0.003","90","","90.983","0.006","90","","5985.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H91 N15 O9.5 -","- C45 H91.5 N15 O9.5 -","- C180 H366 N60 O38 -","4","2","","Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard","Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers","Chem.Commun.","2013","49","","7415","","10.1039/c3cc40961a","","","1.54187","CuKα","","0.1091","0.0459","","","0.0833","0.1012","","","","","","0.874","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109585","10.658","0.002","18.807","0.004","17.672","0.004","90","","106.39","0.03","90","","3398.3","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H101 N17 O12 -","- C50 H101 N17 O12 -","- C100 H202 N34 O24 -","2","1","","Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard","Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers","Chem.Commun.","2013","49","","7415","","10.1039/c3cc40961a","","","1.54178","CuKα","","0.1028","0.0676","","","0.1834","0.218","","","","","","1.072","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7109594","11.9744","0.0002","8.0367","0.0002","17.1372","0.0003","90","","108.858","0.001","90","","1560.67","0.05","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H35 Br O10 -","- C34 H35 Br O10 -","- C68 H70 Br2 O20 -","2","1","","Markus B. Lauber; Constantin-Gabriel Daniliuc; Jan Paradies","Desymmetrization of 4,6-diprotected myo-inositol","Chem.Commun.","2013","49","","7409","","10.1039/c3cc43663b","","","0.71073","MoKα","","0.0344","0.0315","","","0.0681","0.0708","","","","","","1.101","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109623","12.639","0.002","10.4737","0.0016","18.814","0.003","90","","90.117","0.007","90","","2490.5","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 N4 O7 -","- C22 H32 N4 O7 -","- C88 H128 N16 O28 -","4","2","","Bahiru P. Benke; Nandita Madhavan","Active ion transporters from readily accessible acyclic octapeptides containing 3-aminobenzoic acid and alanine","Chem.Commun.","2013","49","","7340","","10.1039/c3cc44224a","","","0.71073","MoKα","","0.2144","0.0836","","","0.1678","0.2396","","","","","","0.893","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109633","9.405","0.0012","9.9217","0.0012","10.9244","0.0014","90","","113.544","0.002","90","","934.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H23 F3 N O3 S -","- C14 H24 F3 N O3 S -","- C28 H48 F6 N2 O6 S2 -","2","1","","Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing","Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines","Chem.Commun.","2013","49","","7492","","10.1039/c3cc43741h","","","0.71073","MoKα","","0.0444","0.0411","","","0.1121","0.1153","","","","","","1.04","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109634","9.2446","0.0014","9.5342","0.0014","9.3529","0.0014","90","","113.44","0.002","90","","756.3","0.2","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H21 F2 N O3 S -","- C12 H21 F2 N O3 S -","- C24 H42 F4 N2 O6 S2 -","2","1","","Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing","Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines","Chem.Commun.","2013","49","","7492","","10.1039/c3cc43741h","","","0.71073","MoKα","","0.0378","0.0354","","","0.0947","0.097","","","","","","1.057","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109635","8.331","0.003","9.435","0.004","9.034","0.004","90","","110.722","0.007","90","","664.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H14 F3 N O3 S -","- C10 H14 F3 N O3 S -","- C20 H28 F6 N2 O6 S2 -","2","1","","Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing","Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines","Chem.Commun.","2013","49","","7492","","10.1039/c3cc43741h","","","0.71073","MoKα","","0.0331","0.0323","","","0.0839","0.085","","","","","","1.042","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109640","7.5478","0.0011","9.9201","0.0014","13.996","0.002","90","","100.024","0.01","90","","1032","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C44 H60 N4 O6 -","2","1","","John D. Knight; Don M. Coltart","Asymmetric anti-aldol addition of achiral ketones via chiral N-amino cyclic carbamate hydrazones","Chem.Commun.","2013","49","","7495","","10.1039/c3cc44716b","","","0.71073","MoKα","","0.0759","0.0443","","","0.0983","0.1127","","","","","","1.027","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109649","11.2372","0.0018","9.8524","0.0015","15.84","0.003","90","","106.713","0.008","90","","1679.6","0.5","100","2","100","2","","","","","","","Isolated natural product","6","P 1 21 1","P 2yb","4","Complex between enterobactin and silicon","","","- C32 H28 N3 Na2 O18 Si -","- C31.9999 H27.9997 N3 Na2 O18 Si -","- C63.9998 H55.9994 N6 Na4 O36 Si2 -","2","1","","Timothee J. N. Kenla; Michel D. Kongue Tatong; Ferdinand Mouafo Talontsi; Birger Dittrich; Holm Frauendorf; Hartmut Laatsch","Si-enterobactin from the endophytic Streptomyces sp. KT-S1-B5 ‒ a potential silicon transporter in Nature?","Chem.Commun.","2013","49","","7641","","10.1039/c3cc44437f","","","1.54178","CuKα","","0.031","0.0293","","","0.0768","0.0782","","","","","","1.038","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109672","6.2989","0.0009","11.2618","0.0016","9.7942","0.0014","90","","103.974","0.002","90","","674.21","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H14 I N O -","- C15 H14 I N O -","- C30 H28 I2 N2 O2 -","2","1","","Benito Alcaide; Pedro Almendros; Jose M. Alonso; Sara Cembellin; Israel Fernandez; Teresa Martinez del Campo; M. Rosario Torres","Iodine recycling via 1,3-migration in iodoindoles under metal catalysis","Chem.Commun.","2013","49","","7779","","10.1039/c3cc44073g","","","0.71073","MoKα","","0.0313","0.0284","","","0.0702","0.0721","","","","","","0.997","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109699","9.8534","0.0002","11.5276","0.0003","27.9228","0.0007","90","","98.7291","0.0009","90","","3134.9","0.13","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H74 N2 O12 Rh2 S2 -","- C58 H74 N2 O12 Rh2 S2 -","- C116 H148 N4 O24 Rh4 S4 -","2","1","","Thorsten Hoke; Eberhardt Herdtweck; Thorsten Bach","Hydrogen-bond mediated regio- and enantioselectivity in a C-H amination reaction catalysed by a supramolecular Rh(II) complex","Chem.Commun.","2013","49","","8009","","10.1039/c3cc44197k","","","0.71073","MoKα","","0.0192","0.0186","","","0.0492","0.0497","","","","","","1.055","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109722","14.954","0.003","20.598","0.004","25.591","0.005","90","","95.863","0.003","90","","7841","3","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H32 O3 Si -","- C18 H32 O3 Si -","- C288 H512 O48 Si16 -","16","8","","Koichiro Ota; Hiroaki Miyaoka","First total synthesis of (‒)-sinularianin B","Chem.Commun.","2013","49","","8148","","10.1039/c3cc44303e","","","0.71073","MoKα","","0.1066","0.0603","","","0.1393","0.1559","","","","","","0.942","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109730","9.8535","0.0003","12.5734","0.0004","10.7133","0.0003","90","","103.496","0.002","90","","1290.64","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H37 N O5 -","- C24 H37 N O5 -","- C48 H74 N2 O10 -","2","1","","Wai-Wing Chan; Zhongyuan Zhou; Wing-Yiu Yu","Palladium-catalyzed oxidative direct C-H/C-H cross coupling of anilides with beta-keto esters","Chem.Commun.","2013","49","","8214","","10.1039/c3cc44769c","","","0.71073","MoKα","","0.0931","0.0515","","","0.1232","0.1471","","","","","","1.003","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109740","7.31","0.0002","15.1078","0.0005","9.152","0.0003","90","","110.282","0.002","90","","948.06","0.05","115","2","115","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 B Fe O P -","- C22 H22 B Fe O P -","- C44 H44 B2 Fe2 O2 P2 -","2","1","","Shinobu Takizawa; Emmanuelle Remond; Fernando Arteaga Arteaga; Yasushi Yoshida; Vellaisamy Sridharan; Jerome Bayardon; Sylvain Juge; Hiroaki Sasai","P-chirogenic organocatalysts: application to the aza-Morita-Baylis-Hillman (aza-MBH) reaction of ketimines","Chem.Commun.","2013","49","","8392","","10.1039/c3cc44549f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0299","0.0288","","","0.0627","0.0638","","","","","","1.082","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109762","9.4837","0.0003","11.08","0.0003","11.5198","0.0003","90","","106.749","0.001","90","","1159.14","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0566","0.0564","","","0.1436","0.1437","","","","","","1.243","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109763","9.4836","0.0003","11.0788","0.0003","11.527","0.0004","90","","106.817","0.002","90","","1159.31","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0538","0.0513","","","0.11","0.1113","","","","","","1.213","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109764","8.4687","0.0003","8.4682","0.0003","14.3425","0.0005","90","","103.349","0.002","90","","1000.78","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0321","0.0312","","","0.0827","0.0837","","","","","","1.035","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109779","8.7241","0.0017","23.084","0.004","9.0051","0.0017","90","","113.665","0.003","90","","1661","0.5","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H32 N2 O6 S -","- C40 H32 N2 O6 S -","- C80 H64 N4 O12 S2 -","2","1","","Wen Yang; Da-Ming Du","Cinchona-based squaramide-catalysed cascade aza-Michael-Michael addition: enantioselective construction of functionalized spirooxindole tetrahydroquinolines","Chem.Commun.","2013","49","","8842","","10.1039/c3cc44930k","","","0.71073","MoKα","","0.0422","0.0398","","","0.0927","0.0947","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7109804","9.3059","0.0002","24.7965","0.0005","14.9207","0.0003","90","","109.972","0.001","90","","3235.94","0.12","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 B2 F4 N3 -","- C36 H43 B2 F4 N3 -","- C144 H172 B8 F16 N12 -","4","2","","Daiki Kuzuhara; ZhaoLi Xue; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Hiroko Yamada","Synthesis and properties of boron complexes of [14]triphyrins(2.1.1)","Chem.Commun.","2013","49","","8955","","10.1039/c3cc44788j","","","0.71075","MoKα","","0.0687","0.0489","","","0.1123","0.1238","","","","","","1.043","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109904","10.1889","0.0013","16.651","0.002","19.73","0.003","90","","101.825","0.002","90","","3276.3","0.8","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H23 Cl2 O12 Zn2 -","- C40 H23 Cl2 O12 Zn2 -","- C80 H46 Cl4 O24 Zn4 -","2","1","","Sridhar Regati; Yabing He; Muralidhara Thimmaiah; Peng Li; Shengchang Xiang; Banglin Chen; John Cong-Gui Zhao","Enantioselective ring-opening of meso-epoxides by aromatic amines catalyzed by a homochiral metal-organic framework","Chem.Commun.","2013","49","","9836","","10.1039/c3cc45988h","","","0.71073","MoKα","","0.1308","0.0893","","","0.219","0.2404","","","","","","0.943","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109945","8.2863","0.0005","5.3781","0.0002","10.7167","0.0006","90","","111.191","0.006","90","","445.29","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Cl F O7 Pb2 Se2 Ti -","- Cl F O7 Pb2 Se2 Ti -","- Cl2 F2 O14 Pb4 Se4 Ti2 -","2","1","","Xue-Li Cao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement","Chem.Commun.","2013","49","","9965","","10.1039/c3cc45747h","","","0.71073","MoKα","","0.0342","0.033","","","0.075","0.0756","","","","","","1.055","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109946","8.511","0.0005","5.4148","0.0002","10.73","0.0006","90","","111.753","0.007","90","","459.28","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cl Nb O8 Pb2 Se2 -","- Cl Nb O8 Pb2 Se2 -","- Cl2 Nb2 O16 Pb4 Se4 -","2","1","","Xue-Li Cao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement","Chem.Commun.","2013","49","","9965","","10.1039/c3cc45747h","","","0.71073","MoKα","","0.0333","0.0313","","","0.068","0.0686","","","","","","1.062","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109956","9.83139","0.00007","12.10798","0.0001","18.33461","0.00015","90","","95.0265","0.0007","90","","2174.13","0.03","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl2 N2 O -","- C24 H24 Cl2 N2 O -","- C96 H96 Cl8 N8 O4 -","4","2","","Michael S. Perryman; Matthew E. Harris; Jade L. Foster; Anushka Joshi; Guy J. Clarkson; David J. Fox","Trichloromethyl ketones: asymmetric transfer hydrogenation and subsequent Jocic-type reactions with amines","Chem.Commun.","2013","49","","10022","","10.1039/c3cc46070c","","","1.5418","CuKα","","0.0491","0.0479","","","0.1302","0.1322","","","","","","1.021","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109977","9.379","0.003","24.518","0.007","14.931","0.004","90","","94.889","0.005","90","","3421","1.7","153","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Cl3 N2 O2 -","- C39 H35 Cl3 N2 O2 -","- C156 H140 Cl12 N8 O8 -","4","2","","Ryo Katoono; Hidetoshi Kawai; Masakazu Ohkita; Kenshu Fujiwar; Takanori Suzuki","A C3-symmetric chiroptical molecular propeller based on hexakis(phenylethynyl)benzene with a threefold terephthalamide: stereospecific propeller generation through the cooperative transmission of point chiralities on the host and guest upon complexation","Chem.Commun.","2013","49","","10352","","10.1039/c3cc43571g","","","0.71075","MoKα","","","0.045","","","","0.1333","","","","","","0.93","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110001","6.1065","0.0004","7.7764","0.0006","16.7309","0.001","90","","99.353","0.006","90","","783.93","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N S -","- C20 H15 N S -","- C40 H30 N2 S2 -","2","1","","Jinhai Shen; Guolin Cheng; Xiuling Cui","'One pot' regiospecific synthesis of polysubstituted pyrroles from benzylamines and ynones under metal free conditions","Chem.Commun.","2013","49","","10641","","10.1039/c3cc43844a","","","0.71073","MoKα","","0.0564","0.0429","","","0.118","0.1325","","","","","","0.843","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110003","4.83104","0.00013","7.1526","0.0002","38.765","0.0012","90","","90.42","0.003","90","","1339.47","0.07","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl N3 O4 -","- C22 H48 Cl N3 O4 -","- C44 H96 Cl2 N6 O8 -","2","1","","Cristina Berdugo; Juan F. Miravet; Beatriu Escuder","Substrate selective catalytic molecular hydrogels: the role of the hydrophobic effect","Chem.Commun.","2013","49","","10608","","10.1039/c3cc45623d","","","1.5418","CuKα","","0.0596","0.0495","","","0.1543","0.1916","","","","","","1.085","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110024","11.136","0.009","6.875","0.006","15.243","0.012","90","","104.49","0.019","90","","1129.9","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","","Manickam Bakthadoss; Damodharan Kannan; Raman Selvakumar","A multicomponent cascade reaction for the synthesis of novel chromenopyranpyrazole scaffolds","Chem.Commun.","2013","49","","10947","","10.1039/c3cc45502e","","","0.71073","MoKα","","0.0495","0.0413","","","0.108","0.1158","","","","","","1.047","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110026","13.848","0.003","9.57","0.002","15.768","0.004","90","","94.215","0.005","90","","2084","0.8","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H60 N6 O8 -","- C38 H60 N6 O8 -","- C76 H120 N12 O16 -","2","1","","V. Haridas; Sandhya Sadanandan; M. V. S. Gopalakrishna; M. B. Bijesh; Ram. P. Verma; Srinivas Chinthalapalli; Ashutosh Shandilya","Bispidine as a helix inducing scaffold: examples of helically folded linear peptides","Chem.Commun.","2013","49","","10980","","10.1039/c3cc45649h","","","0.71073","MoKα","","0.1256","0.0945","","","0.2053","0.2225","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110052","8.3933","0.0017","10.672","0.002","13.178","0.003","90","","101.288","0.003","90","","1157.6","0.4","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H13 Br F N O8 S2 -","- C21 H13 Br F N O8 S2 -","- C42 H26 Br2 F2 N2 O16 S4 -","2","1","","Hai Ma; Kohei Matsuzaki; Yu-Dong Yang; Etsuko Tokunaga; Daisuke Nakane; Tomohiro Ozawa; Hideki Masuda; Norio Shibata","Enantioselective monofluoromethylation of aldehydes with 2-fluoro-1,3-benzodithiole-1,1,3,3-tetraoxide catalyzed by a bifunctional cinchona alkaloid-derived thiourea-titanium complex","Chem.Commun.","2013","49","","11206","","10.1039/c3cc46544f","","","0.7107","MoKα","","","0.0415","","","","0.1147","","","","","","1.21","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110055","11.1442","0.0019","5.9143","0.001","13.609","0.002","90","","94.567","0.004","90","","894.1","0.3","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Juan Mancebo-Aracil; Carmen Najera; Jose M. Sansano","Multicomponent synthesis of unnatural pyrrolizidines using 1,3-dipolar cycloaddition of proline esters","Chem.Commun.","2013","49","","11218","","10.1039/c3cc47184e","","","0.71073","MoKα","","0.1096","0.0532","","","0.1161","0.1415","","","","","","1.002","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110121","8.2054","0.0001","10.574","0.0001","8.6556","0.0001","90","","95.96","0.001","90","","746.934","0.014","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C32 H34 N2 O12 -","2","1","","Renate Rohlmann; Constantin-Gabriel Daniliuc; Olga Garcia Mancheno","Highly enantioselective synthesis of chiral 7-ring O- and N-heterocycles by a one-pot nitro-Michael-cyclization tandem reaction","Chem.Commun.","2013","49","","11665","","10.1039/c3cc47397j","","","1.54178","CuKα","","0.0305","0.0304","","","0.0785","0.0786","","","","","","1.067","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110144","7.4739","0.0008","9.911","0.001","11.815","0.0012","90","","102.072","0.002","90","","855.83","0.15","295","1","295","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C36 H42 N2 O6 S2 -","2","1","","Pandur Venkatesan Balaji; Srinivasan Chandrasekaran","Stereoselective geminal difunctionalization of vinyl arenes mediated by the bromonium ion","Chem.Commun.","2013","50","","70","","10.1039/c3cc46003g","","x-ray","0.71073","MoKα","","0.046","0.0381","","","0.0928","0.0979","","","","","","1.156","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110146","6.2365","0.0019","8.196","0.003","20.593","0.007","90","","92.844","0.009","90","","1051.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N3 S2 -","- C24 H21 N3 S2 -","- C48 H42 N6 S4 -","2","1","","Joydev Hatai; Subhajit Bandyopadhyay","Altered selectivity of a dipicolylamine based metal ion receptor","Chem.Commun.","2013","50","","64","","10.1039/c3cc46285d","","","0.71073","MoKα","","0.0745","0.0446","","","0.0779","0.0942","","","","","","1.002","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110168","9.9605","0.0013","7.5342","0.001","12.802","0.0016","90","","98.095","0.007","90","","951.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 S -","- C19 H20 N2 O6 S -","- C38 H40 N4 O12 S2 -","2","1","","Soumya Jyoti Singha Roy; Santanu Mukherjee","Enantioselective desymmetrization of prochiral 1,3-dinitropropanes via organocatalytic allylic alkylation","Chem.Commun.","2013","50","","121","","10.1039/c3cc47645f","","","0.71073","MoKα","","0.0466","0.0428","","","0.1257","0.1299","","","","","","0.781","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110178","8.7847","0.0009","12.8744","0.0012","9.3892","0.0009","90","","95.271","0.001","90","","1057.41","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-bromobenzoyl)-2-methyl-5,5-diphenypiperidine","","- C25 H24 Br N O -","- C25 H24 Br N O -","- C50 H48 Br2 N2 O2 -","2","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0301","0.0247","","","0.0735","0.0784","","","","","","0.656","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110195","9.7934","0.0018","11.215","0.002","12.187","0.002","90","","96.377","0.004","90","","1330.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C58 H64 N4 O8 S2 -","2","1","","Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar","A 1,3-amino group migration route to form acrylamidines","Chem.Commun.","2014","50","","323","","10.1039/c3cc47182a","","","0.71073","MoKα","","0.0622","0.0496","","","0.1235","0.1323","","","","","","1.052","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110202","14.434","","14.233","","17.487","","90","","92.21","","90","","3589.84","","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H48 N9 O19.5 -","- C27 H39 N9 O19.5 -","- C108 H156 N36 O78 -","4","2","","Atchutarao Pathigoolla; Kana M. Sureshan","Reverse-CD mimics with flexible linkages offer adaptable cavity sizes for guest encapsulation","Chem.Commun.","2014","50","","317","","10.1039/c3cc47734g","","","0.71073","MoKα","","0.1243","0.0663","","","0.1604","0.209","","","","","","1.036","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7110206","11.863","0.0013","4.8437","0.0007","12.6119","0.0016","90","","116.802","0.003","90","","646.84","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","M. Su; Maria Tomas-Gamasa; S. Serdjukow; P. Mayer; T. Carell","Synthesis and properties of a Cu(II) complexing pyrazole ligandoside in DNA","Chem.Commun.","2014","50","","409","","10.1039/c3cc47561a","","","0.71073","MoKα","","0.0405","0.0327","","","0.0777","0.0809","","","","","","1.059","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110231","11.7222","0.0003","8.40571","0.00017","12.7175","0.0003","90","","101.724","0.003","90","","1226.96","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O4 S -","- C25 H34 N2 O4 S -","- C50 H68 N4 O8 S2 -","2","1","","Pierre-Loic Jacquemin; Koen Robeyns; Michel Devillers; Yann Garcia","Reversible photochromism of an N-salicylidene aniline anion","Chem.Commun.","2014","50","","649","","10.1039/c3cc45080e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0832","0.0857","","","","","","1.05","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110232","5.6851","0.0012","16.633","0.004","13.304","0.003","90","","99.518","0.004","90","","1240.7","0.5","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 F3 O4 P S -","- C25 H24 F3 O4 P S -","- C50 H48 F6 O8 P2 S2 -","2","1","","Junzhu Lu; Jinxing Ye; Wei-Liang Duan","Palladium-catalyzed asymmetric 1,6-addition of diarylphosphines to alpha,beta,gamma,delta-unsaturated sulfonic esters: controlling regioselectivity by rational selection of electron-withdrawing groups","Chem.Commun.","2014","50","","698","","10.1039/c3cc46290k","","","0.71073","MoKα","","0.0691","0.0513","","","0.1135","0.1236","","","","","","1.029","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110353","11.282","0.007","9.766","0.01","15.555","0.012","90","0.09","99.73","0.06","90","0.09","1689","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 20: Mannosyl diacetonide ethyl sulfone","1-Deoxy-2,3;4,6-diisopropylidene-1-thia- 1-α-D-mannopyranoside S-Oxide","","- C14 H23 O6 S -","- C14 H23 O6 S -","- C56 H92 O24 S4 -","4","2","","Crich, David; Mataka, Jan; Sun, Sanxing; Wink, Donald J.; Lam, K.-C.; Rheingold, Arnold L.","Stereoselective sulfoxidation of α-mannopyranosyl thioglycosides: the exo-anomeric effect in action","Chemical Communications","1998","","24","2763","","10.1039/a804126a","","","0.71073","MoKα","","0.083","0.0412","","0.1214","0.0984","","","","1.032","1.131","1.131","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110354","5.1509","0.0002","12.9187","0.0004","11.4762","0.0005","90","","95.554","0.002","90","","760.07","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 22: Mannosyl benzylidene ethyl sulfone","S-Ethyl 4,6-Benzylidene-1-deoxy-1-thia-α-D-mannopyranoside S-Oxide","","- C15 H20 O6 S -","- C15 H20 O6 S -","- C30 H40 O12 S2 -","2","1","","Crich, David; Mataka, Jan; Sun, Sanxing; Wink, Donald J.; Lam, K.-C.; Rheingold, Arnold L.","Stereoselective sulfoxidation of α-mannopyranosyl thioglycosides: the exo-anomeric effect in action","Chemical Communications","1998","","24","2763","","10.1039/a804126a","","","0.71073","MoKα","","0.1039","0.0864","","","0.2582","0.2847","","","","","","2.415","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110388","6.425","0.006","23.566","0.007","17.545","0.007","90","","90.36","0.04","90","","2656","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O12 -","- C23 H34 O12 -","- C92 H136 O48 -","4","2","","McCague, Raymond; Pritchard, Robin G.; Stoodley, Richard J.; Williamson, Douglas S.","Practical radical cyclisations leading to the construction of near-stereopure quaternary carbon stereogenic centres","Chemical Communications","1998","","24","2691","","10.1039/a807930g","","","0.71073","MoKα","","0.2519","0.1276","","","0.2426","0.2893","","","","","","1.34","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110518","11.292","0.002","9.536","0.002","17.654","0.004","90","","97.04","0.02","90","","1886.7","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","bis(R,R)-(-)-trans-2,3-bis(diphenylhydroxymethyl)-1,4-dioxaspiro(4.4)nonane N-nitroso-4-phenylpiperidine clathrate","","- C44 H46 N2 O5 -","- C44 H46 N2 O5 -","- C88 H92 N4 O10 -","2","1","","Olszewska, Teresa; Milewska, Maria J.; Połoński, Tadeusz; Gdaniec, Maria","N-Nitrosopiperidines with chirality solely due to hindered rotation about the N‒N bond: enantioselective inclusion complexation with optically active hosts","Chemical Communications","1999","","15","1385","","10.1039/a901718f","","","1.54178","CuKα","","0.0696","0.0418","","0.1271","0.1108","","","","1.072","1.126","1.126","","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110543","8.4863","0.0013","8.7703","0.0014","15.43","0.003","90","","98.74","0.003","90","","1135.1","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 O2 S8 -","- C20 H16 O2 S8 -","- C40 H32 O4 S16 -","2","1","","Tsiperman, Evgeny; Regev, Tal; Becker, James Y.; Bernstein, Joel; Ellern, Arkady; Khodorkovsky, Vladimir; Shames, Alex; Shapiro, Lev","Synthesis of a novel rigid tetrathiafulvalene-σ-p-benzoquinone diad (TTF-σ-Q) with inherent structural configuration suitable for intramolecular charge-transfer","Chemical Communications","1999","","12","1125","","10.1039/a902277e","","","0.71073","MoKα","","0.0864","0.0404","","","0.062","0.0697","","","","","","0.812","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110627","10.393","0.004","16.811","0.005","21.737","0.005","90","","97.21","0.02","90","","3768","2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C75 H97 B Cl4 Co N4 O7 -","- C75 H97 B Cl4 Co N4 O7 -","- C150 H194 B2 Cl8 Co2 N8 O14 -","2","1","","Boxwell, Clive J.; Walton, Paul H.","Structures of [Co(II)(L)(NO3)(HOCH3)n]BPh4 (n = 4, 5) complexes (L = cis,cis-1,3,5-triaminocyclohexane-based ligand): structural ‘snapshots’ of anion binding to a metal centre","Chemical Communications","1999","","17","1647","","10.1039/a904802b","","","0.71069","MoKα","","0.1932","0.064","","","0.1598","0.2319","","","","","","1.025","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110646","10.776","0.007","7.241","0.006","13.028","0.008","90","","95.84","0.05","90","","1011.3","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3,5-N,N',N''-tris(2-methoxyethyl)trimesic amide","","- C18 H27 N3 O6 -","- C18 H27 N3 O6 -","- C36 H54 N6 O12 -","2","1","","Lightfoot, Matthew P.; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.","New supramolecular packing motifs: π-stacked rods encased in triply-helical hydrogen bonded amide strands","Chemical Communications","1999","","19","1945","","10.1039/a905245c","","","0.71069","MoKα","","0.1138","0.0636","","","0.1419","0.1629","","","","","","1.088","","","","has coordinates,has disorder","180220","2020-10-21","18:00:00",""
"7110721","10.5718","0.0014","14.8923","0.0014","12.5186","0.0011","90","0.008","91.504","0.01","90","0.012","1970.2","0.4","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 Cl2 Mo N2 O4 -","- C42 H46 Cl2 Mo N2 O4 -","- C84 H92 Cl4 Mo2 N4 O8 -","2","1","","A. Kretzschmar, Eike; Kipke, Jennifer; Sundermeyer, Jörg","The first chiral diimido chelate complexes of molybdenum and tungsten: transition metal diimido complexes on the way to asymmetric catalysis","Chemical Communications","1999","","23","2381","","10.1039/a907525i","","","0.71073","MoKα","","0.0344","0.0319","","","0.0817","0.0837","","","","","","1.022","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7110726","10.122","0.0003","9.4659","0.0002","15.7849","","90","","95.805","0.001","90","","1504.66","0.05","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H34 Al3 Cl Li2 O25 P6 -","- C6 H18 Al3 Cl Li2 O25 P6 -","- C12 H36 Al6 Cl2 Li4 O50 P12 -","2","1","","Hix, Gary B.; Wragg, David S.; Bull, Ivor; Morris, Russell E.; Wright, Paul A.","Synthesis and structure of Li2Al3(HO3PMe)2(O3PMe)4Cl·7H2O,an ionic, layered lithium aluminium methylphosphonate","Chemical Communications","1999","","23","2421","","10.1039/a907599b","","","0.6894","synchrotron","","0.0552","0.0541","","","0.1368","0.1379","","","","","","0.675","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110744","6.332","0.004","26","0.004","6.72","0.003","90","","112.63","0.04","90","","1021.1","0.9","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O6 -","- C20 H32 N2 O6 -","- C40 H64 N4 O12 -","2","1","","Spivey, Alan C.; Andrews, Benjamin I.; Brown, Alan D.; Frampton, Christopher S.","First asymmetric desymmetrisation of a centrosymmetric molecule: CBS reduction of a 2-pyridone [4 + 4]-photodimer derivative","Chemical Communications","1999","","24","2523","","10.1039/a908059g","","","1.54178","CuKα","","0.0418","0.0417","","","0.1177","0.1177","","","","","","1.009","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110774","14.992","","7.1841","0.0001","15.4819","0.0002","90","","92.427","0.001","90","","1665.97","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H51 O3 Re -","- C36 H51 O3 Re -","- C72 H102 O6 Re2 -","2","1","","Le Bideau, Franck; Kaloum, El Bachir; Haquette, Pierre; Kernbach, Ulrich; Stephan, Elie; Top, Siden; Vessières, Anne; Jaouen, Gérard; Marrot, Jérôme","New and efficient routes to CpRe(CO)3 substituted steroids","Chemical Communications","2000","","3","211","","10.1039/a908481i","","","0.71073","MoKα","","0.0623","0.0448","","","0.1002","0.1103","","","","","","0.893","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110805","19.6636","0.0001","12.6712","0.0002","19.7853","0.0003","90","","104.432","0.0001","90","","4774.17","0.11","173","2","173","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C18 H24 -","- C18 H24 -","- C216 H288 -","12","6","","Rheingold, Arnold L.; Figueroa, Joshua S.; Dybowski, Cecil; Beckmann, Peter A.","Superlattices, polymorphs and solid-state NMR spin‒lattice relaxation (T1) measurements of 2,6-di-tert-butylnaphthalene","Chemical Communications","2000","","8","651","","10.1039/a909449k","","","0.71073","MoKα","","0.1935","0.1368","","","0.3685","0.4491","","","","","","2.061","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110811","14.927","0.003","8.8708","0.0012","15.795","0.003","90","","97.735","0.015","90","","2072.5","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H34 Cl2 O8 P2 U -","- C42 H34 Cl2 O8 P2 U -","- C84 H68 Cl4 O16 P4 U2 -","2","1","","Saunders, Gregory D.; Foxon, Simon P.; Walton, Paul H.; Joyce, Malcolm J.; Port, Simon N.","A selective uranium extraction agent prepared by polymer imprinting","Chemical Communications","2000","","4","273","","10.1039/a909691d","","","0.71069","MoKα","","0.0645","0.034","","","0.0769","0.0871","","","","","","1.007","","","","has coordinates,has disorder","180222","2020-10-21","18:00:00",""
"7110828","10.1336","0.0002","9.5207","0.0002","11.1957","0.0002","90","","104.75","0.001","90","","1044.55","0.04","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C46 H52 O14 -","2","1","","Bond, Silas; Perlmutter, Patrick","The vitamin C route to the ciguatoxins: enantioselective synthesis of a ring F building block","Chemical Communications","2000","","7","567","","10.1039/a910163m","","","0.71073","MoKα","","0.0366","0.0336","","","0.0728","0.0741","","","","","","1.051","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110846","9.96","0.0005","19.0705","0.0009","10.2628","0.0005","90","","97.351","0.001","90","","1933.32","0.16","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H53 Mo N5 O2 Si2 -","- C38 H53 Mo N5 O2 Si2 -","- C76 H106 Mo2 N10 O4 Si4 -","2","1","","Cameron, Tom M.; Ortiz, Carlos G.; Abboud, Khalil A.; Boncella, James M.; Baker, R. Tom; Scott, Brian L.","Molybdenum η2-imine complex formation and the reductive coupling of imines","Chemical Communications","2000","","7","573","","10.1039/b000355g","","","0.71073","MoKα","","0.0608","0.042","","","0.0775","0.0843","","","","","","1.021","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110862","6.269","0.002","8.6418","0.0012","12.173","0.002","90","","104.16","0.02","90","","639.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","","Meth-Cohn, Otto; Chen, Yi; Williams, David J.","Enantiopure epoxidation of electrophilic alkenes","Chemical Communications","2000","","6","495","","10.1039/b000520g","","","0.71073","MoKα","","0.0556","0.046","","0.1256","0.1166","","","","1.053","1.076","1.076","","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110892","9.854","0.0003","32.338","0.0006","11.358","0.0015","90","0.0018","110.521","0.003","90","0.002","3389.7","0.5","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H65 N4 Na O16 -","- C82 H65 N4 Na O16 -","- C164 H130 N8 Na2 O32 -","2","1","","Diskin-Posner, Yael; Dahal, Sanjay; Goldberg, Israel","New effective synthons for supramolecular self-assembly of meso-carboxyphenylporphyrins","Chemical Communications","2000","","7","585","","10.1039/b001189o","","","0.7107","MoKα","","0.0949","0.0653","","","0.1545","0.1778","","","","","","1.021","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110909","11.827","0.004","15.837","0.009","15.626","0.005","90","","94.87","0.03","90","","2916","2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","[P6(CtBu)4SiI2]","","","- C20 H36 I2 P6 Si -","- C20 H36 I2 P6 Si -","- C80 H144 I8 P24 Si4 -","4","2","","Avent, Anthony G.; Cloke, F. Geoffrey N.; Francis, Matthew D.; Hitchcock, Peter B.; Nixon, John F.","Synthesis, crystal and molecular structures of the novel, structurally different, cage compounds P6C4But4SiI2 and P6C4But4GeI2, resulting from intra-molecular coupling of two 1,2,4-triphospholyl rings","Chemical Communications","2000","","10","879","","10.1039/b001632m","","","0.71073","MoKα","","0.0419","0.0326","","","0.0653","0.0696","","","","","","1.061","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110953","6.0174","0.0008","20.717","0.003","7.6596","0.001","90","","108.215","0.003","90","","907","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 Se -","- C19 H24 O5 Se -","- C38 H48 O10 Se2 -","2","1","","Clark, J. Stephen; Wong, Yung-Sing","Construction of the 11-oxabicyclo[6.2.1]undecane core of the cladiellins by a novel rearrangement reaction","Chemical Communications","2000","","12","1079","","10.1039/b002511i","","","0.71073","MoKα","","0.0348","0.0278","","","0.0568","0.0588","","","","","","0.965","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110954","5.2491","0.0002","21.3577","0.001","16.4109","0.0008","90","","90.709","0.003","90","","1839.66","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 Cl O4 Se -","- C19 H23 Cl O4 Se -","- C76 H92 Cl4 O16 Se4 -","4","2","","Clark, J. Stephen; Wong, Yung-Sing","Construction of the 11-oxabicyclo[6.2.1]undecane core of the cladiellins by a novel rearrangement reaction","Chemical Communications","2000","","12","1079","","10.1039/b002511i","","","0.71073","MoKα","","0.116","0.0583","","","0.0894","0.103","","","","","","0.972","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110973","12.269","0.0005","13.41","0.0006","12.429","0.0004","90","","95.998","0.002","90","","2033.71","0.14","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","[Al2(L-2)Me4]","","- C34 H76 Al2 N6 O2 -","- C34 H76 Al2 N6 O2 -","- C68 H152 Al4 N12 O4 -","2","1","","Robson, David A.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","An unprecedented coordination mode for hemilabile pendant-arm 1,4,7-triazacyclononanes and the synthesis of cationic organoaluminium complexes","Chemical Communications","2000","","14","1269","","10.1039/b003019h","","","0.71073","MoKα","","0.0726","0.0691","","0.174","0.1677","","","","1.298","1.311","1.311","","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7111025","6.359","0.003","21.465","0.005","9.991","0.002","90","","92.68","0.02","90","","1362.2","0.8","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O6 S -","- C27 H34 N2 O6 S -","- C54 H68 N4 O12 S2 -","2","1","","Hitotsuyanagi, Yukio; Hasuda, Tomoyo; Matsumoto, Yuji; Itokawa, Hideji; Takeya, Koichi; Yamaguchi, Kentaro","Degradation of an antitumour bicyclic hexapeptide RA-VII into cycloisodityrosines","Chemical Communications","2000","","17","1633","","10.1039/b004459h","","","1.5418","CuK?a","","","0.0357","","","","0.0308","","","","","","1.444","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111060","11.4881","0.0001","13.9886","0.0001","22.0242","0.0003","90","","104.524","0.001","90","","3426.23","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H55 N3 O Si2 Zn -","- C30 H55 N3 O Si2 Zn -","- C120 H220 N12 O4 Si8 Zn4 -","4","2","","Cheng, Ming; Darling, Nicholas A.; Lobkovsky, Emil B.; Coates, Geoffrey W.","Enantiomerically-enriched organic reagents via polymer synthesis: enantioselective copolymerization of cycloalkene oxides and CO2 using homogeneous, zinc-based catalysts","Chemical Communications","2000","","20","2007","","10.1039/b005537i","","","0.71073","MoKα","","0.0666","0.0473","","0.1158","0.1031","","","","0.708","0.718","0.718","","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111079","14.549","0.004","5.907","0.002","16.345","0.006","90","","105.78","0.02","90","","1351.8","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N O9 -","- C26 H37 N O9 -","- C52 H74 N2 O18 -","2","1","","Duff, Fraser J.; Vivien, Vincent; Wightman, Richard H.","Synthesis of aza-C-disaccharides using cycloaddition reactions of a functionalized cyclic nitrone","Chemical Communications","2000","","21","2127","","10.1039/b005984f","","","0.71073","MoKα","","0.1421","0.0708","","","0.1401","0.1709","","","","","","1.012","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111080","5.417","0.001","25.006","0.004","9.051","0.001","90","","96.87","0.01","90","","1217.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O10 -","- C23 H35 N O10 -","- C46 H70 N2 O20 -","2","1","","Duff, Fraser J.; Vivien, Vincent; Wightman, Richard H.","Synthesis of aza-C-disaccharides using cycloaddition reactions of a functionalized cyclic nitrone","Chemical Communications","2000","","21","2127","","10.1039/b005984f","","","0.71073","MoKα","","0.0323","0.0305","","","0.0815","0.083","","","","","","1.055","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111102","6.073","","13.045","0.001","10.104","0.001","90","","98.28","0.01","90","","792.12","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Bailey, Patrick D.; Rosair, Georgina M.; Taylor, David; McDonald, I. M.","An unusual oxidative rearrangement of azabicyclo[2.2.1]heptenes, providing a stereoselective route to 2′- and 3′-hydroxycyclopentylglycines","Chemical Communications","2000","","24","2451","","10.1039/b006683o","","","0.71073","MoKα","","0.0306","0.0303","","","0.0775","0.0778","","","","","","1.076","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111115","7.4933","0.0008","19.145","0.002","7.4944","0.0008","90","","120.006","0.002","90","","931.04","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H12 Ge8 N2 O17 -","- C2 H13 Ge8 N2 O17 -","- C4 H26 Ge16 N4 O34 -","2","1","","Cascales, Concepción; Gutierrez-Puebla, Enrique; Iglesias, Marta; Monge, M. Angeles; Ruiz-Valero, Caridad; Snejko, Natalia","Ge8O16[(OH)−(MeNH3)+(MeNH2)]: one OH-templated germanium zeotype","Chemical Communications","2000","","21","2145","","10.1039/b007054h","","","0.71073","MoKα","","0.0645","0.0528","","0.1074","0.1033","","","","0.873","0.936","0.936","","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111130","11.209","0.001","10.149","0.001","7.5641","0.0008","90","","70.368","0.009","90","","810.47","0.14","294.2","","294.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Cheung, Eugene; Kang, Ting; Scheffer, John R.; Trotter, James","Latent chemical behavior revealed in the crystalline state: novel photochemistry of a cis-9-decalyl aryl ketone","Chemical Communications","2000","","23","2309","","10.1039/b007398i","","","1.5418","CuKα","","0.0623","0.0407","","0.0464","","0.0444","","","2.554","","","2.756","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111177","14.729","0.001","18.049","0.001","21.493","0.001","90","","108.5","0.01","90","","5418.5","0.6","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H120 N18 O18 Zn3 -","- C120 H120 N18 O18 Zn3 -","- C240 H240 N36 O36 Zn6 -","2","1","","Albrecht, Markus; Witt, Karen; Röttele, Herbert; Fröhlich, Roland","Stereoselective formation of a trinuclear hexa-stranded helicate-type zinc(ii) complex","Chemical Communications","2001","","15","1330","","10.1039/b103090f","","","0.71073","MoKα","","0.1606","0.0974","","","0.1819","0.2113","","","","","","1.105","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7111187","9.5453","0.0002","22.1287","0.0003","12.0525","0.0001","90","","103.155","0.001","90","","2478.98","0.07","147.2","","147.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 Si2 -","- C30 H28 Si2 -","- C120 H112 Si8 -","4","2","","Bong, Dennis T.-Y.; Gentric, Lionel; Holmes, Daniel; Matzger, Adam J.; Scherhag, Frank; Vollhardt, K. Peter C.","Synthesis of bent [4]phenylene (cyclobuta[1,2-a:3,4-b′]bisbiphenylene) and structure of a bis(trimethylsilyl) derivative: the last [4]phenylene isomerElectronic supplementary information (ESI) available: selected bond distances and angles for 9, spectral and analytical information. See http://www.rsc.org/suppdata/cc/b1/b109789j/","Chemical Communications","2002","","3","278","","10.1039/b109789j","","","0.7107","MoKα","","0.0397","0.036","","0.0508","0.0497","0.0497","","","","","","2.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111212","11.955","0.002","16.56","0.003","12.578","0.003","90","","113.83","0.03","90","","2277.8","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 2,3(R):4,6(R)-di-O-[2,2-(1,4-butoxy)]phenylidene-α-D-mannopyranoside","","- C25 H28 O8 -","- C25 H28 O8 -","- C100 H112 O32 -","4","2","","Maslinska-Solich, Jolanta; Kuznik, Nikodem; Kubicki, Maciej; Kukowka, Sylwia","The formation of a cyclic diacetal of methyl α-D-mannopyranoside with a 16-membered macrocyclic loop","Chemical Communications","2002","","9","984","","10.1039/b202273g","","","1.5418","CuKα","","0.0451","0.0402","","","0.098","0.1014","","","","","","1.001","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00",""
"7111220","7.7121","0.001","4.7053","0.0009","11.6358","0.0019","90","","102.587","0.011","90","","412.09","0.12","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H8 O S2 -","- C8 H8 O S2 -","- C16 H16 O2 S4 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Kennedy, Martina A.; Shepherd, Steven D.; Malone, John F.; Alves-Areias, André; Holt, Robert; Allenmark, Stig G.; Lemurell (née Andersson), Malin A.; Dalton, Howard; Luckarift, Heather","Enzyme-catalysed oxygenation and deoxygenation routes to chiral thiosulfinates","Chemical Communications","2002","","14","1452","","10.1039/b203139f","","","1.54178","CuKα","","0.0538","0.0481","","","0.1178","0.1227","","","","","","1.083","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111245","11.631","0.005","10.602","0.004","11.995","0.005","90","","116.54","0.03","90","","1323.3","1","298","2","298","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N4 O8 -","- C26 H30 N4 O8 -","- C52 H60 N8 O16 -","2","1","","Johnson, Darren W.; Palmer, Liam C.; Hof, Fraser; Iovine, Peter M.; Rebek, Julius","New supramolecular organization for a glycoluril: chiral hydrogen-bonded ribbons","Chemical Communications","2002","","19","2228","","10.1039/b206648c","","","0.71073","MoKα","","0.0422","0.0391","","","0.0986","0.1014","","","","","","1.056","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111311","12.742","0.002","8.054","0.003","14.372","0.003","90","","102.89","0.02","90","","1437.7","0.7","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H54 O5 -","- C30 H54 O5 -","- C60 H108 O10 -","2","1","","Kato, Kazuaki; Aburaya, Kazuaki; Miyake, Yasuhito; Sada, Kazuki; Tohnai, Norimitsu; Miyata, Mikiji","Excellent enantio-selective enclathration of (2R,3S)-3-methyl-2-pentanol in channel-like cavity of 3-epideoxycholic acid, interpreted by the four-location model for chiral recognition","Chemical Communications","2003","","23","2872","","10.1039/b309755b","","","0.7107","MoKα","","","0.0597","","","","0.0556","","","","","","1.31","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111314","8.3748","0.0015","14.505","0.003","8.982","0.0016","90","","113.659","0.003","90","","999.4","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","03202aa","","","- C15 H33 Cl N4 Ni O4 S -","- C15 H33 Cl N4 Ni O4 S -","- C30 H66 Cl2 N8 Ni2 O8 S2 -","2","1","","Halfen, Jason A.; Young, Jr., Victor G.","Efficient preparation of 1,4,8-trimethylcyclam and its conversion into a thioalkyl-pendant pentadentate chelate","Chemical Communications","2003","","23","2894","","10.1039/b311520h","","","0.71073","MoKα","","0.0433","0.0348","","","0.0705","0.0728","","","","","","1.007","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7111400","10.7254","0.0006","11.9768","0.0009","24.98","0.002","90","","91.273","0.004","90","","3208","0.4","299","","299","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N2 O3 S -","- C15 H23 N2 O3 S -","- C120 H184 N16 O24 S8 -","8","4","","Risberg, Erik; Fischer, Andreas; Somfai, Peter","Asymmetric radical additions of trialkylboranes to 2H-azirine-3-carboxylates","Chemical Communications","2004","","18","2088","2089","10.1039/b408532a","","","0.71073","MoKα","","0.0851","0.059","","","0.1122","0.1255","","","","","","1.141","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111480","12.4739","0.0002","8.0449","0.0002","14.3256","0.0003","90","","102.951","0.0011","90","","1401.02","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N6 O14 -","- C27 H20 N6 O14 -","- C54 H40 N12 O28 -","2","1","","Schwaebisch, Dirk; Tchabanenko, Kirill; Adlington, Robert M.; Cowley, Andrew M.; Baldwin, Jack E.","Biomimetic synthesis of the pyrrolobenzoxazine core of paeciloxazine","Chemical Communications","2004","","22","2552","2553","10.1039/b412300j","","","0.71073","MoKα","","0.0415","0.0326","","0.0419","0.035","0.035","","","","","","1.1631","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111534","6.3146","0.0015","10.648","0.002","7.684","0.0015","90","","112.18","0.01","90","","478.42","0.18","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tetrafluorido(1,2-bis(dimethylamino)ethane)silicon(IV)","","- C6 H16 F4 N2 Si -","- C6 H16 F4 N2 Si -","- C12 H32 F8 N4 Si2 -","2","1","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation and structure of the unique silicon(iv) cation [SiF3(Me3tacn)]+","Chemical Communications","2009","","11","1334","1336","10.1039/b822236c","","","0.71073","MoKα","","0.0304","0.0281","","","0.0694","0.0712","","","","","","1.042","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111561","13.346","0.003","11.006","0.003","15.589","0.004","90","","108.301","0.004","90","","2174","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H54 Ge2 N4 Si4 -","- C38 H54 Ge2 N4 Si4 -","- C76 H108 Ge4 N8 Si8 -","2","1","","Leung, Wing-Por; Chiu, Wang-Kin; Chong, Kim-Hung; Mak, Thomas C. W.","Synthesis of a germanium analogue of a dithiocarboxylic acid anhydride from the Ge(i) pyridyl-1-azaallyl dimer","Chemical Communications","2009","","44","6822","6824","10.1039/b916326c","","","0.71073","MoKα","","0.0516","0.0397","","","0.0913","0.0984","","","","","","0.967","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111603","12.649","0.004","24.398","0.007","12.67","0.004","90","","107.947","0.004","90","","3720","2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H63 N9 O16 Rh2 -","- C78 H63 N9 O16 Rh2 -","- C156 H126 N18 O32 Rh4 -","2","1","","DeAngelis, Andrew; Boruta, David T.; Lubin, Jean-Bernard; Plampin, III, James N.; Yap, Glenn P. A.; Fox, Joseph M.","The chiral crown conformation in paddlewheel complexes","Chemical Communications","2010","46","25","4541","4543","10.1039/c001557a","","","0.71073","MoKα","","0.0597","0.0525","","","0.1383","0.1444","","","","","","1.023","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111616","10.882","0.007","19.081","0.013","18.544","0.012","90","","105.018","0.009","90","","3719","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H64 Li4 O2 Si4 -","- C24 H64 Li4 O2 Si4 -","- C96 H256 Li16 O8 Si16 -","4","2","","Tatic, Tanja; Meindl, Kathrin; Henn, Julian; Pandey, Sushil Kumar; Stalke, Dietmar","The first asymmetric organolithium tetramers with simple ether donor bases","Chemical Communications","2010","46","25","4562","4564","10.1039/c002504f","","","0.71073","MoKα","","0.0433","0.0335","","","0.0775","0.0824","","","","","","1.054","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111638","6.9633","0.0002","5.1097","0.0001","13.5723","0.0004","90","","104.691","0.003","90","","467.12","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C18 H20 N4 O2 S2 -","2","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","0.71073","MoKα","","0.025","0.0233","","","0.0586","0.0594","","","","","","1.015","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111668","18.901","0.005","19.072","0.005","29.787","0.008","90","","106.21","0.02","90","","10311","5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,7-bis(9,9-dihexylfluorene-2-yl)-2,8-difluorodibenzothiophene-S,S-dioxide","","- C62 H70 F2 O2 S -","- C62 H70 F2 O2 S -","- C496 H560 F16 O16 S8 -","8","4","","Li, Haiying; Batsanov, Andrei S.; Moss, Kathryn C.; Vaughan, Helen L.; Dias, Fernando B.; Kamtekar, Kiran T.; Bryce, Martin R.; Monkman, Andrew P.","The interplay of conformation and photophysical properties in deep-blue fluorescent oligomers","Chemical Communications","2010","46","26","4812","4814","10.1039/c0cc00211a","","","0.71073","MoKα","","0.249","0.1192","","","0.263","0.3324","","","","","","0.997","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111706","11.079","0.003","6.5096","0.0015","13.174","0.003","90","","99.774","0.004","90","","936.3","0.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Lan, Hong-Qiao; Ruan, Yuan-Ping; Huang, Pei-Qiang","The first enantioselective synthesis of cytotoxic marine natural product palau’imide and assignment of its C-20 stereochemistry","Chemical Communications","2010","46","29","5319","5321","10.1039/c0cc00452a","","","0.71073","MoKα","","0.116","0.1115","","","0.2765","0.2793","","","","","","1.229","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111711","11.1616","0.0018","21.663","0.005","11.904","0.0016","90","","101.547","0.017","90","","2820.1","0.9","297","","297","1","","","","","","","see text","8","P 1 21 1","P 2yb","4","","","","- C40 H58 Cl6 Fe N4 O6 P2 Sn2 -","- C40 H58 Cl6 Fe N4 O6 P2 Sn2 -","- C80 H116 Cl12 Fe2 N8 O12 P4 Sn4 -","2","1","","Naik, Anu; Maji, Tapan; Reiser, Oliver","Iron(ii)‒bis(isonitrile) complexes: novel catalysts in asymmetric transfer hydrogenations of aromatic and heteroaromatic ketones","Chemical Communications","2010","46","25","4475","4477","10.1039/c0cc00508h","","","0.71073","MoKα","","0.1202","0.0554","","","0.1102","0.1286","","","","","","0.832","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111719","10.4991","0.0004","8.7802","0.0003","10.6271","0.0004","90","","95.889","0.001","90","","974.48","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl N2 O6 S -","- C18 H19 Cl N2 O6 S -","- C36 H38 Cl2 N4 O12 S2 -","2","1","","Vecchione, Matthew K.; Li, Le; Seidel, Daniel","Catalytic enantioselective aldol additions of α-isothiocyanato imides to α-ketoesters","Chemical Communications","2010","46","25","4604","4606","10.1039/c0cc00556h","","","0.71073","MoKα","","0.0323","0.0311","","","0.0736","0.0743","","","","","","1.007","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111722","8.5703","0.0008","8.6188","0.0007","18.6937","0.0016","90","","97.706","0.006","90","","1368.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(2,6-di(pyrazol-1-yl)pyridine]ruthenium(II) ditetrafluoroborate","","- C22 H18 B2 F8 N10 Ru -","- C22 H18 B2 F8 N10 Ru -","- C44 H36 B4 F16 N20 Ru2 -","2","1","","Halcrow, Malcolm A.","Using one spin-transition to trigger another in solid solutions of two different spin-crossover complexes","Chemical Communications","2010","46","26","4761","4763","10.1039/c0cc00603c","","","0.71073","MoKα","","0.0406","0.0342","","","0.0712","0.0754","","","","","","1.038","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111723","9.694","0.003","25.624","0.009","13.118","0.004","90","","93.571","0.013","90","","3252.2","1.8","383","2","383","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H87 Cl4 N4 O16 -","- C64 H87 Cl4 N4 O16 -","- C128 H174 Cl8 N8 O32 -","2","1","","Nguyen, Henry; Ma, Gil; Romo, Daniel","A1,3-strain enabled retention of chirality during bis-cyclization of β-ketoamides: total synthesis of (−)-salinosporamide A and (−)-homosalinosporamide A","Chemical Communications","2010","46","26","4803","4805","10.1039/c0cc00607f","","","1.54178","CuKα","","0.1842","0.0821","","","0.1159","0.1448","","","","","","1.006","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111740","13.171","0.003","20.825","0.004","15.453","0.003","90","","100.8","0.03","90","","4163.5","1.5","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H105.52 N34 O33.76 S -","- C60 H105.52 N34 O33.76 S -","- C120 H211.04 N68 O67.52 S2 -","2","1","","Baek, Kangkyun; Kim, Youngkook; Kim, Hyunuk; Yoon, Minyoung; Hwang, Ilha; Ko, Young Ho; Kim, Kimoon","Unconventional U-shaped conformation of a bolaamphiphile embedded in a synthetic host","Chemical Communications","2010","46","23","4091","4093","10.1039/c0cc00752h","","","0.85","synchrotron","","0.0526","0.0503","","","0.135","0.138","","","","","","1.039","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111829","7.8081","0.0004","14.4792","0.0009","9.4551","0.0005","90","","90.521","0.003","90","","1068.9","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H6 F14 Sn -","- C22 H6 F14 Sn -","- C44 H12 F28 Sn2 -","2","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.0242","0.0236","","","0.0596","0.0604","","","","","","1.063","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111841","12.329","0.007","12.877","0.007","14.883","0.006","90","","91.625","0.018","90","","2362","2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","mer-[Cd(k-O,N,N-3.11a)2]","","- C42 H48 Cd N10 O8 -","- C42 H48 Cd N10 O8 -","- C84 H96 Cd2 N20 O16 -","2","1","","Gareth O. Lloyd; Jonathan W. Steed","Supramolecular assembly in a Janus-type urea system","Chem.Commun.","2014","50","","1426","","10.1039/c3cc48603f","","","0.71073","MoKα","","0.1096","0.0712","","","0.1631","0.1877","","","","","","1.038","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111863","6.1766","0.0004","9.188","0.0005","14.0208","0.0006","90","","91.209","0.002","90","","795.51","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran","A diversity oriented one-pot synthesis of novel iminosugar C-glycosides","Chem.Commun.","2014","50","","1549","","10.1039/c3cc48370c","","","0.71073","MoKα","","0.0824","0.0475","","","0.0795","0.0906","","","","","","0.99","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111887","15.9309","0.0014","6.3941","0.0006","18.8138","0.0016","90","","107.606","0.003","90","","1826.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C80 H108 N4 O12 -","4","2","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.2234","0.0664","","","0.1413","0.2305","","","","","","0.957","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111888","11.632","0.004","5.9372","0.0019","13.377","0.004","90","","90.327","0.005","90","","923.8","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.1908","0.0558","","","0.126","0.2198","","","","","","0.836","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111890","9.3305","0.0011","6.4425","0.0008","19.573","0.002","90","","99.12","0.003","90","","1161.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N2 O5 -","- C23 H34 N2 O5 -","- C46 H68 N4 O10 -","2","1","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.0489","0.04","","","0.1071","0.1167","","","","","","0.816","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111893","12.246","0.002","6.725","0.005","14.229","0.002","90","","92.04","0.11","90","","1171.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 Ho0 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Leonardo Degennaro; Marina Zenzola; Piera Trinchera; Laura Carroccia; Arianna Giovine; Giuseppe Romanazzi; Aurelia Falcicchio; Renzo Luisi","Regioselective functionalization of 2-arylazetidines: evaluating the ortho-directing ability of the azetidinyl ring and the alpha-directing ability of the N-substituent","Chem.Commun.","2014","50","","1698","","10.1039/c3cc48555b","","","0.71073","MoKα","","0.0701","0.0416","","","0.0904","0.107","","","","","","0.983","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111980","10.4867","0.0003","21.768","0.0009","10.583","0.0007","90","","116.312","0.008","90","","2165.5","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H43 Cl6 O2 P -","- C45 H43 Cl6 O2 P -","- C90 H86 Cl12 O4 P2 -","2","1","","Paul Aillard; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","A [2+2+2] cyclization strategy for the synthesis of phosphorus embedding [6]helicene-like structures","Chem.Commun.","2014","50","","2199","","10.1039/c3cc48943d","","","1.54187","CuKα","","0.1084","0.07","","","0.1866","0.2414","","","","","","1.174","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7112033","8.625","0.005","12.896","0.005","13.322","0.005","90","","94.61","0.06","90","","1477","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H27 Li N2 -","- C13 H27 Li N2 -","- C52 H108 Li4 N8 -","4","2","","Prisca K. Eckert; Barbara Schnura; Carsten Strohmann","Unexpected structural motifs in diamine coordination compounds with allyllithium","Chem.Commun.","2014","50","","2532","","10.1039/c3cc48873j","","","0.71073","MoKα","","0.1318","0.0393","","","0.0368","0.0405","","","","","","0.81","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112057","12.9152","0.0003","7.5313","0.0002","17.4463","0.0004","90","","94.512","0.001","90","","1691.71","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Foldamer","","","- C30 H38 N8 O9 S2 -","- C30 H38 N8 O9 S2 -","- C60 H76 N16 O18 S4 -","2","1","","Sangram S. Kale; Shrikant M. Kunjir; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid","Chem.Commun.","2014","50","","2886","","10.1039/c3cc48850k","","","0.71073","MoKα","","0.0705","0.0486","","","0.0919","0.1024","","","","","","1.039","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112067","10.8341","0.0004","5.9521","0.0002","28.9285","0.001","90","","95.44","0.003","90","","1857.07","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","2","","Iain D. Roy; Alan R. Burns; Graham Pattison; Boris Michel; Alexandra J. Parker; Hon Wai Lam","A second-generation ligand for the enantioselective rhodium-catalyzed addition of arylboronic acids to alkenylazaarenes","Chem.Commun.","2014","50","","2865","","10.1039/c4cc00340c","","","1.54184","CuKα","","0.0537","0.0423","","","0.1019","0.1109","","","","","","1.084","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112069","8.7492","0.0003","9.0043","0.0003","24.1842","0.0007","90","","98.9","0.003","90","","1882.3","0.11","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 F3 N2 O3 -","- C21 H19 F3 N2 O3 -","- C84 H76 F12 N8 O12 -","4","2","","Thomas J. Williams; Alan J. Reay; Adrian C. Whitwood; Ian J. S. Fairlamb","A mild and selective Pd-mediated methodology for the synthesis of highly fluorescent 2-arylated tryptophans and tryptophan-containing peptides: a catalytic role for Pd0 nanoparticles?","Chem.Commun.","2014","50","","3052","","10.1039/c3cc48481e","","","0.7107","MoKα","","0.0572","0.048","","","0.1077","0.1135","","","","","","1.064","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112111","6.949","0.002","24.489","0.009","10.96","0.004","90","","103.085","0.007","90","","1816.7","1.1","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N5 O4 S -","- C17 H17 N5 O4 S -","- C68 H68 N20 O16 S4 -","4","2","","Daisuke Uraguchi; Shinji Nakamura; Hitoshi Sasaki; Yuki Konakade; Takashi Ooi","Enantioselective formal alpha-allylation of nitroalkanes through a chiral iminophosphorane-catalyzed Michael reaction-Julia-Kocienski olefination sequence","Chem.Commun.","2014","50","","3491","","10.1039/C3CC49477B","","","0.71075","MoKα","","0.0456","0.0378","","","0.0871","0.0904","","","","","","1.008","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112245","13.0229","0.0014","11.9754","0.0012","15.154","0.0015","90","","93.283","0.004","90","","2359.5","0.4","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H72 Ag Br N10 -","- C44 H72 Ag Br N10 -","- C88 H144 Ag2 Br2 N20 -","2","1","","Chia-Cheng Tai; Ming-Shiuan Yu; Yi-Lin Chen; Wen-Hang Chuang; Ting-Hua Lin; Glenn P. A. Yap; Tiow-Gan Ong","Synthesis of a guanidine NHC complex and its application in borylation reactions","Chem.Commun.","2014","50","","4344","","10.1039/C4CC00550C","","","0.71073","MoKα","","0.1092","0.0824","","","0.1964","0.2196","","","","","","1.021","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112248","10.751","0.003","33.1","0.007","10.9","0.003","90","","116.309","0.013","90","","3477.1","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Binaph-P2-Pyrx2AlMe3 ([4-AlMe2]+[AlMe4]-)","(1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(pyrrolidinyl)phosphazenyl]bis(pyrrolidinyl)phosphoranylidene) x 2AlMe3","","- C66 H110 Al2 N14 P4 -","- C66 H110 Al2 N14 P4 -","- C132 H220 Al4 N28 P8 -","2","1","","Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer","Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex","Chem.Commun.","2014","50","","4319","","10.1039/C4CC00773E","","","0.71073","MoKα","","0.122","0.0702","","","0.1429","0.1675","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112256","10.7903","0.0011","8.3733","0.0005","10.857","0.0009","90","","110.884","0.01","90","","916.49","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Binjie Guo; Chunling Fu; Shengming Ma","Asymmetric semipinacol rearrangement of 2,3-allenols with N-bromo-1,8-naphthalimide","Chem.Commun.","2014","50","","4445","","10.1039/C4CC00767K","","","0.71073","MoKα","","0.0723","0.0472","","","0.0921","0.1047","","","","","","1.019","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112287","14.0971","0.0008","10.1806","0.0006","15.1958","0.0009","90","","91.922","0.002","90","","2179.6","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O6 -","- C21 H20 Br N O6 -","- C84 H80 Br4 N4 O24 -","4","2","","Luo, Jie; Wang, Haifei; Zhong, Fangrui; Kwiatkowski, Jacek; Xu, Li-Wen; Lu, Yixin","Highly diastereoselective and enantioselective direct Michael addition of phthalide derivatives to nitroolefins.","Chemical communications (Cambridge, England)","2013","49","51","5775","5777","10.1039/c3cc42187b","","","0.71073","MoKα","","0.0916","0.0552","","","0.1119","0.1254","","","","","","0.972","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112379","9.9067","0.0013","9.1539","0.0013","10.995","0.0015","90","","106.318","0.002","90","","956.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O2 S2 -","- C19 H20 Br N O2 S2 -","- C38 H40 Br2 N2 O4 S4 -","2","1","","Zhu, Kailong; Huang, Huicai; Wu, Wenbin; Wei, Yuan; Ye, Jinxing","Aminocatalyzed asymmetric Diels-Alder reaction of 2,4-dienals and rhodanine/hydantoin derivatives.","Chemical communications (Cambridge, England)","2013","49","21","2157","2159","10.1039/c3cc00023k","","","0.71073","MoKα","","0.0329","0.0299","","","0.0733","0.0745","","","","","","1.065","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112476","6.6395","0.001","15.61","0.002","7.8147","0.0012","90","","91.71","0.003","90","","809.6","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Kohsuke Ohmatsu; Mitsunori Ito; Takashi Ooi","Ligand-controlled E/Z selectivity and enantioselectivity in palladium-catalyzed allylation of benzofuranones with 1,2-disubstituted allylic carbonates","Chem.Commun.","2014","50","","4554","","10.1039/C3CC49338E","","","0.71073","MoKα","","0.0504","0.0478","","","0.1204","0.1233","","","","","","0.962","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112487","6.1949","0.0002","13.096","0.0003","9.5555","0.0003","90","","93.8","0.002","90","","773.52","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","5DACMeVinylKetone","","","- C15 H24 N2 O3 -","- C15 H24 N2 O3 -","- C30 H48 N4 O6 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71073","MoKα","","0.0303","0.0285","","","0.0781","0.0798","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112507","16.0735","0.0005","7.0772","0.0002","18.7585","0.0006","90","","113.351","0.001","90","","1959.1","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H43 Cl O17 -","- C37 H43 Cl O17 -","- C74 H86 Cl2 O34 -","2","1","","Mascitti, Vincent; Thuma, Benjamin A.; Smith, Aaron C.; Robinson, Ralph P.; Brandt, Thomas; Kalgutkar, Amit S.; Maurer, Tristan S.; Samas, Brian; Sharma, Raman","On the importance of synthetic organic chemistry in drug discovery: reflections on the discovery of antidiabetic agent ertugliflozin","MedChemComm","2013","4","1","101","","10.1039/c2md20163a","","","1.54178","CuKα","","0.0537","0.0418","","","0.1062","0.1152","","","","","","1.036","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112536","8.0571","0.0002","11.5261","0.0002","12.1322","0.0002","90","","99.462","0.002","90","","1111.35","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H19 Br O3 -","- C27 H19 Br O3 -","- C54 H38 Br2 O6 -","2","1","","Ramachary, Dhevalapally B.; Venkaiah, Chintalapudi; Krishna, Patoju Murali","Discovery of 2-aminobuta-1,3-enynes in asymmetric organocascade catalysis: construction of drug-like spirocyclic cyclohexanes having five to six contiguous stereocenters.","Chemical communications (Cambridge, England)","2012","48","16","2252","2254","10.1039/c2cc17219d","","","1.54184","CuKα","","0.0712","0.0684","","","0.1877","0.1932","","","","","","1.041","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112606","6.3381","0.0013","8.1858","0.0016","11.115","0.002","90","","100.48","0.03","90","","567.1","0.2","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H15 F6 N2 O2 P -","- C7 H15 F6 N2 O2 P -","- C14 H30 F12 N4 O4 P2 -","2","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.0405","0.0354","","","0.0929","0.1058","","","","","","1.088","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112609","13.5849","0.0006","19.9777","0.0008","16.2382","0.0007","90","","113.621","0.001","90","","4037.7","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","1 in manuscript","","","- C93 H87 Au Cl7 O6 P -","- C93 H87 Au Cl7 O6 P -","- C186 H174 Au2 Cl14 O12 P2 -","2","1","","Maria Camila Blanco Jaimes; Frank Rominger; Mariette M. Pereira; Rui M. B. Carrilho; Sonia A. C. Carabineiro; A. Stephen K. Hashmi","Highly active phosphite gold(I) catalysts for intramolecular hydroalkoxylation, enyne cyclization and furanyne cyclization","Chem.Commun.","2014","50","","4937","","10.1039/C4CC00839A","","","0.71073","MoKα","","0.0799","0.0594","","","0.1291","0.1438","","","","","","1.045","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112617","7.7042","0.0004","15.7653","0.0007","9.1879","0.0004","90","","104.37","0.005","90","","1081.04","0.09","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 O5 S -","- C25 H22 O5 S -","- C50 H44 O10 S2 -","2","1","","Zhen Wang; Qian Yao; Tengfei Kang; Juhua Feng; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly diastereo- and enantioselective Michael addition of 3-substituted benzofuran-2(3H)-ones to 4-oxo-enoates catalyzed by lanthanide(III) complexes","Chem.Commun.","2014","50","","4918","","10.1039/C4CC01499E","","","0.7107","MoKα","","0.0726","0.0548","","","0.1238","0.1396","","","","","","1.022","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112685","9.746","0.003","13.298","0.004","15.127","0.005","90","","106.377","0.005","90","","1881","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cl N O2 -","- C22 H26 Cl N O2 -","- C88 H104 Cl4 N4 O8 -","4","2","","Bhat, Vikram; Rawal, Viresh H.","Stereocontrolled synthesis of 20,21-dihydro N-methylwelwitindolinone B isothiocyanate.","Chemical communications (Cambridge, England)","2011","47","34","9705","9707","10.1039/c1cc13498a","","","0.71073","MoKα","","0.1319","0.0771","","","0.1571","0.1771","","","","","","0.925","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112711","12.477","0.0001","17.695","0.0002","12.672","0.0001","90","","112.757","0.0002","90","","2579.94","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","2","","Muñiz, Kilian; Lishchynskyi, Anton; Streuff, Jan; Nieger, Martin; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez","Metal-ligand bifunctional activation and transfer of N-H bonds.","Chemical communications (Cambridge, England)","2011","47","17","4911","4913","10.1039/c1cc10999e","","","0.71073","MoKα","","0.0572","0.0458","","","0.1105","0.1181","","","","","","1.048","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112718","10.5616","0.0006","9.5453","0.0006","13.5147","0.0007","90","","110.173","0.002","90","","1278.89","0.13","298.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C68 H52 N4 -","2","1","","Yamada, Shinji; Nojiri, Yuka","Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2011","47","32","9143","9145","10.1039/c1cc12572a","","","1.54187","CuKα","","","0.0761","","","","0.2912","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112730","10.1283","0.0003","8.5022","0.0003","11.0211","0.0004","90","","117.159","0.001","90","","844.42","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C36 H40 N4 O10 -","2","1","","Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom","2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment","MedChemComm","2011","2","6","550","","10.1039/c1md00068c","","","0.71073","MoKα","","0.0515","0.0461","","","0.1109","0.1152","","","","","","0.914","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112795","12.5839","0.0014","29.99","0.003","13.3097","0.0015","90","","98.783","0.002","90","","4964.1","0.9","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.25 H28.5 N5 O5.5 -","- C25.25 H28.5 N5 O5.5 -","- C202 H228 N40 O44 -","8","4","","Storr, Thomas E.; Strohmeier, Johanna A.; Baumann, Christoph G.; Fairlamb, Ian J. S.","A sequential direct arylation/Suzuki-Miyaura cross-coupling transformation of unprotected 2'-deoxyadenosine affords a novel class of fluorescent analogues.","Chemical communications (Cambridge, England)","2010","46","35","6470","6472","10.1039/c0cc02043e","","","0.71073","MoKα","","0.0783","0.0657","","","0.1709","0.18","","","","","","1.087","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112803","12.941","0.001","32.046","0.002","6.1025","0.0004","90","","97.429","0.004","90","","2509.5","0.3","","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","JK3 1G1(saddle-nitro)","","","- C42 Br4 Cl2 N13 O2 Zn3 -","- C42 Br4 Cl2 N13 O2 Zn3 -","- C84 Br8 Cl4 N26 O4 Zn6 -","2","1","","Martí-Rujas, Javier; Matsushita, Yoshitaka; Izumi, Fujio; Fujita, Makoto; Kawano, Masaki","Solid-liquid interface synthesis of microcrystalline porous coordination networks.","Chemical communications (Cambridge, England)","2010","46","35","6515","6517","10.1039/c0cc01141j","powder diffraction","","1","Synchrotron","","","0.0247","","","0.0317","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112817","10.999","0.005","18.698","0.008","12.089","0.005","90","","96.635","0.006","90","","2469.6","1.8","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H6 F12 Mn N3 O5 S2 -","- C18 H6 F12 Mn N3 O5 S2 -","- C72 H24 F48 Mn4 N12 O20 S8 -","4","2","","Fatila, Elisabeth M.; Goodreid, Jordan; Clérac, Rodolphe; Jennings, Michael; Assoud, Jalil; Preuss, Kathryn E.","High-spin supramolecular pair of Mn(II)/thiazyl radical complexes.","Chemical communications (Cambridge, England)","2010","46","35","6569","6571","10.1039/c0cc01084g","","","0.71073","MoKα","","0.0515","0.0433","","","0.1178","0.134","","","","","","1.064","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112822","9.473","0.002","17.138","0.004","11.355","0.003","90","","106.525","0.007","90","","1767.3","0.7","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H43 Au B Cl2 F4 N3 -","- C33 H43 Au B Cl2 F4 N3 -","- C66 H86 Au2 B2 Cl4 F8 N6 -","2","1","","Nun, Pierrick; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P.","Ligand influence in the selective gold-mediated synthesis of allenes.","Chemical communications (Cambridge, England)","2010","46","48","9113","9115","10.1039/c0cc03071f","","","0.71073","MoKα","","0.0283","0.0271","","","0.0572","0.0581","","","","","","1.036","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112826","7.4971","0.0002","10.3184","0.0003","11.0996","0.0003","90","","100.211","0.001","90","","845.04","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","6-O-[(1S)-camphanoyl]-D-myo-inositol_1,3,5-orthoformate","","","- C17 H22 O9 -","- C17 H22 O9 -","- C34 H44 O18 -","2","1","","Padiyar, Laxmansingh T.; Wen, Yuh-Sheng; Hung, Shang-Cheng","Metal trifluoromethanesulfonate-catalyzed regioselective acylation of myo-inositol 1,3,5-orthoformate.","Chemical communications (Cambridge, England)","2010","46","30","5524","5526","10.1039/c0cc00236d","","","0.71073","MoKα","","0.0303","0.0284","","","0.0647","0.0659","","","","","","1.045","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112852","12.3798","0.0013","15.9613","0.0015","19.3185","0.0017","90","","102.479","0.003","90","","3727.1","0.6","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H79 B3 F12 N7 O6 P -","- C84 H79 B3 F12 N7 O6 P -","- C168 H158 B6 F24 N14 O12 P2 -","2","1","","Sakamoto, Naoya; Ikeda, Chusaku; Nabeshima, Tatsuya","Cation recognition and pseudorotaxane formation of tris-dipyrrin BF2 macrocycles.","Chemical communications (Cambridge, England)","2010","46","36","6732","6734","10.1039/c0cc01717e","","","0.71075","MoKα","","0.2206","0.0909","","","0.1916","0.2641","","","","","","1.03","","","","has coordinates,has disorder","180242","2020-10-21","18:00:00",""
"7112853","15.351","0.003","43.305","0.009","15.351","0.003","90","","103.44","0.03","90","","9925","4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95 H282 Si40 Sn13 -","- C95 H282 Si40 Sn13 -","- C190 H564 Si80 Sn26 -","2","1","","Schrenk, Claudio; Schnepf, Andreas","Sn[Si(SiMe3)3]3- and Sn3[Si(SiMe3)3]4: first insight into the mechanism of the disproportionation of a tin monohalide gives access to the shortest double bond of tin.","Chemical communications (Cambridge, England)","2010","46","36","6756","6758","10.1039/c0cc02367a","","","0.71073","MoKα","","0.0725","0.0634","","","0.1737","0.1817","","","","","","1.124","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112887","8.8321","0.0015","7.5525","0.0013","17.175","0.003","90","","97.016","0.003","90","","1137.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Znabet, Anass; Zonneveld, Job; Janssen, Elwin; De Kanter, Frans J. J.; Helliwell, Madeleine; Turner, Nicholas J.; Ruijter, Eelco; Orru, Romano V. A.","Asymmetric synthesis of synthetic alkaloids by a tandem biocatalysis/Ugi/Pictet-Spengler-type cyclization sequence.","Chemical communications (Cambridge, England)","2010","46","41","7706","7708","10.1039/c0cc02938f","","","0.71073","MoKα","","0.0359","0.0337","","","0.0792","0.0803","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112989","11.68","0.0018","13.465","0.002","13.696","0.002","90","","108.561","0.002","90","","2041.9","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H52 N5 Nb O2 -","- C46 H52 N5 Nb O2 -","- C92 H104 N10 Nb2 O4 -","2","1","","Zi, Guofu; Zhang, Furen; Song, Haibin","Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.","Chemical communications (Cambridge, England)","2010","46","34","6296","6298","10.1039/c0cc01265c","","","0.71075","MoKα","","0.0334","0.0295","","","0.0673","0.0682","","","","","","1.014","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112990","11.687","0.002","13.451","0.003","13.686","0.003","90","","108.63","0.03","90","","2038.7","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H52 N5 O2 Ta -","- C46 H52 N5 O2 Ta -","- C92 H104 N10 O4 Ta2 -","2","1","","Zi, Guofu; Zhang, Furen; Song, Haibin","Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.","Chemical communications (Cambridge, England)","2010","46","34","6296","6298","10.1039/c0cc01265c","","","0.71073","MoKα","","0.0359","0.0351","","","0.0843","0.0849","","","","","","1.116","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112991","11.934","0.002","14.079","0.003","13.534","0.002","90","","111.011","0.009","90","","2122.8","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 N5 Nb O2 -","- C46 H60 N5 Nb O2 -","- C92 H120 N10 Nb2 O4 -","2","1","","Zi, Guofu; Zhang, Furen; Song, Haibin","Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.","Chemical communications (Cambridge, England)","2010","46","34","6296","6298","10.1039/c0cc01265c","","","1.54187","CuKα","","0.0399","0.0369","","","0.1003","0.1241","","","","","","1.18","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7112992","11.832","0.002","14.325","0.003","13.481","0.003","90","","111.28","0.03","90","","2129.1","0.9","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 N5 O2 Ta -","- C46 H60 N5 O2 Ta -","- C92 H120 N10 O4 Ta2 -","2","1","","Zi, Guofu; Zhang, Furen; Song, Haibin","Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.","Chemical communications (Cambridge, England)","2010","46","34","6296","6298","10.1039/c0cc01265c","","","0.71075","MoKα","","0.0398","0.0349","","","0.0849","0.086","","","","","","0.936","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7113041","14.079","0.004","12.207","0.003","22.502","0.006","90","","102.181","0.007","90","","3780.2","1.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O7 -","- C17 H22 N4 O7 -","- C136 H176 N32 O56 -","8","4","","Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola","Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds.","Chemical communications (Cambridge, England)","2010","46","33","6153","6155","10.1039/c0cc00977f","","","0.71069","MoKα","","0.107","0.0685","","","0.1712","0.1981","","","","","","1.029","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7113061","12.074","0.005","11.168","0.005","22.31","0.008","90","","93.82","0.01","90","","3002","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H38 Au Cl N2 -","- C33 H38 Au Cl N2 -","- C132 H152 Au4 Cl4 N8 -","4","2","","Hirsch-Weil, Dimitri; Abboud, Khalil A.; Hong, Sukwon","Isoquinoline-based chiral monodentate N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2010","46","40","7525","7527","10.1039/c0cc02211j","","","0.71073","MoKα","","0.03","0.0232","","","0.0424","0.0442","","","","","","0.919","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113064","10.3601","0.0004","23.0402","0.0008","10.9979","0.0005","90","","108.947","0.004","90","","2482.95","0.18","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H47 Mo N16 Ni2 S7 -","- C39 H47 Mo N16 Ni2 S7 -","- C78 H94 Mo2 N32 Ni4 S14 -","2","1","","Mousavi, Maliheh; Béreau, Virgine; Desplanches, Cédric; Duhayon, Carine; Sutter, Jean-Pascal","Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.","Chemical communications (Cambridge, England)","2010","46","40","7519","7521","10.1039/c0cc02498h","","","0.71073","MoKα","","0.0955","0.059","","0.0667","0.0492","0.046","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113066","10.3765","0.0007","23.1054","0.0015","11.1193","0.0008","90","","109.15","0.002","90","","2518.4","0.3","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H47 Cr N16 Ni2 S7 -","- C39 H47 Cr N16 Ni2 S7 -","- C78 H94 Cr2 N32 Ni4 S14 -","2","1","","Mousavi, Maliheh; Béreau, Virgine; Desplanches, Cédric; Duhayon, Carine; Sutter, Jean-Pascal","Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.","Chemical communications (Cambridge, England)","2010","46","40","7519","7521","10.1039/c0cc02498h","","","0.71073","MoKα","","0.0638","0.0553","","0.0676","0.0629","0.0612","","","","","","1.0658","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7113067","10.136","0.0013","13.5421","0.0013","17.233","0.002","90","","98.169","0.01","90","","2341.4","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H23 Cl2 N O2 -","- C82 H21 N O2 -","- C164 H42 N2 O4 -","2","1","","Lincker, Frédéric; Bourgun, Philippe; Stoeckli-Evans, Helen; Saez, Isabel M.; Goodby, John W.; Deschenaux, Robert","Optically active liquid-crystalline fullerodendrimers from enantiomerically pure fulleropyrrolidines.","Chemical communications (Cambridge, England)","2010","46","40","7522","7524","10.1039/c0cc02709j","","","0.71073","MoKα","","0.0846","0.0528","","","0.0956","0.1048","","","","","","0.937","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113070","17.2344","0.0006","17.2237","0.0006","17.2923","0.0007","90","","90.548","0.004","90","","5132.8","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","(Zn!4$(mu!4$-O)(L)!3$(DMF)!2$).(DMF)!1.25$.(H!2$O) (L = 1,3- azulene dicarboxylate)","[Zn~4~(μ~4~-O)(L)~3~(DMF)~2~].(DMF)~1.25~.(H~2~O) [L = 1,3-azulene dicarboxylate]","","- C183 H171 N13 O69 Zn16 -","- C183 H163 N13 O69 Zn16 -","- C183 H163 N13 O69 Zn16 -","1","0.5","","Barman, Samir; Furukawa, Hiroyasu; Blacque, Olivier; Venkatesan, Koushik; Yaghi, Omar M.; Berke, Heinz","Azulene based metal-organic frameworks for strong adsorption of H2.","Chemical communications (Cambridge, England)","2010","46","42","7981","7983","10.1039/c0cc02589e","","","0.71073","MoKα","","0.0849","0.0468","","","0.0931","0.0996","","","","","","0.843","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7113090","5.8841","0.0007","19.872","0.002","11.1212","0.0017","90","","95.141","0.01","90","","1295.2","0.3","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(4-N-acetamidophenyl)-(4-hydroxyphenyl) -methylidenyl]-[3]ferrocenophane","","- C30 H28 Fe N2 O2 -","- C30 H28 Fe N2 O2 -","- C60 H56 Fe2 N4 O4 -","2","1","","Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard","Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines","MedChemComm","2010","1","2","149","","10.1039/c0md00026d","","","0.71073","MoKα","","0.0606","0.0393","","0.1068","0.0696","0.0756","","","","","","0.9341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113091","8.384","0.002","16.984","0.003","12.48","0.003","90","","104.14","0.02","90","","1723.2","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","BW202W92 R-enantiomer","","","- C12 H12 Cl3 F N4 O3 S -","- C12 H12 Cl3 F N4 O3 S -","- C48 H48 Cl12 F4 N16 O12 S4 -","4","2","","Palmer, Rex A.; Potter, Brian S.; Leach, Michael J.; Jenkins, Terence C.; Chowdhry, Babur Z.","An absolute structure template for a unique voltage-gated sodium channel binding site","MedChemComm","2010","1","1","45","","10.1039/c0md00043d","","","1.54178","CuKα","","0.0642","0.0488","","","0.1245","0.1316","","","","","","1.043","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113303","7.3534","0.0003","25.5994","0.0008","9.1479","0.0003","90","","95.024","0.002","90","","1715.41","0.1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","2","","Humphrey, John M.; Yang, Eddie; Ende, Christopher W. am; Arnold, Eric P.; Head, Jenna L.; Jenkinson, Stephen; Lebel, Lorraine A.; Liras, Spiros; Pandit, Jayvardhan; Samas, Brian; Vajdos, Felix; Simons, Samuel P.; Evdokimov, Artem; Mansour, Mahmoud; Menniti, Frank S.","Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1","MedChemComm","2014","5","9","1290","","10.1039/C4MD00113C","","","1.54178","CuKα","","0.0617","0.0502","","","0.1445","0.1637","","","","","","1.122","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113361","6.4601","0.0016","12.695","0.003","13.331","0.002","90","","100.56","0.02","90","","1074.8","0.4","294.68","0.1","294.68","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","1","","Hui Shao; Xiao-Ming Zhang; Shao-Hua Wang; Fu-Min Zhang; Yong-Qiang Tu; Chao Yang","Propargylic cation-induced intermolecular electrophilic addition-semipinacol rearrangement","Chem.Commun.","2014","50","","5691","","10.1039/C3CC49650C","","","0.7107","MoKα","","0.1704","0.0703","","","0.1204","0.1754","","","","","","0.977","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113368","9.996","0.005","19.104","0.005","10.29","0.005","90","0.005","113.132","0.005","90","0.005","1807","1.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H61 Li O3 P4 -","- C29 H61 Li O3 P4 -","- C58 H122 Li2 O6 P8 -","2","1","","Wolf, Robert; Hey-Hawkins, Evamarie","[Li(thf)3cyclo-(P4tBu4CH)]‒synthesis, molecular structure and dynamic behaviour.","Chemical communications (Cambridge, England)","2004","","22","2626","2627","10.1039/b410617b","","","0.71073","Mokα","","0.0741","0.0628","","","0.1313","0.1353","","","","","","1.17","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113369","10.287","0.002","10.734","0.002","10.614","0.002","90","","107.24","0.01","90","","1119.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N O11 -","- C18 H27 N O11 -","- C36 H54 N2 O22 -","2","1","","Sommermann, Thomas; Kim, Boo Geun; Peters, Karl; Peters, Eva-Maria; Linker, Torsten","Short and stereoselective synthesis of C-glycosylated glycine derivatives from glycals by radical addition and reduction.","Chemical communications (Cambridge, England)","2004","","22","2624","2625","10.1039/b410120k","","","0.71073","MoKα","","0.0649","0.06","","","0.1381","0.1419","","","","","","1.052","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113410","10.08922","0.00016","15.4848","0.0002","21.0438","0.0003","90","","77.5137","0.0015","90","","3209.9","0.08","110","2","110.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N2 O4 Pd -","- C36 H32 Cl2 N2 O4 Pd -","- C144 H128 Cl8 N8 O16 Pd4 -","4","2","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","0.71073","MoKα","","0.024","0.0219","","","0.0498","0.0509","","","","","","1.069","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7113412","9.80633","0.00012","13.99186","0.00013","22.0766","0.0002","90","","94.1682","0.0011","90","","3021.09","0.05","106","2","106.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H62 Cl8 N2 O8 Pd2 -","- C56 H62 Cl8 N2 O8 Pd2 -","- C112 H124 Cl16 N4 O16 Pd4 -","2","1","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","1.54184","CuKα","","0.0381","0.0358","","","0.0955","0.0975","","","","","","1.035","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113883","11.9436","0.001","13.1268","0.001","16.1538","0.0012","90","","102.861","0.004","90","","2469.1","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H54 O3 Si2 Ti -","- C49 H54 O3 Si2 Ti -","- C98 H108 O6 Si4 Ti2 -","2","1","","Turner, Luke E.; Thorn, Matthew G.; Fanwick, Phillip E.; Rothwell, Ian P.","Facile resolution of constrained geometry indenyl-phenoxide ligationElectronic supplementary information (ESI) available: synthesis of compounds 1‒8 and ORTEP views of4,5 and 6. See http://www.rsc.org/suppdata/cc/b2/b212724e/","Chemical Communications","2003","","9","1034","","10.1039/b212724e","","","0.71073","MO-Kα","","","0.087","","","","0.187","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113884","12.0012","0.0004","13.6234","0.0005","16.3611","0.0006","90","","105.542","0.0014","90","","2577.18","0.16","149","","149","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H58 O3 Si2 Ti -","- C51 H58 O3 Si2 Ti -","- C102 H116 O6 Si4 Ti2 -","2","1","","Turner, Luke E.; Thorn, Matthew G.; Fanwick, Phillip E.; Rothwell, Ian P.","Facile resolution of constrained geometry indenyl-phenoxide ligationElectronic supplementary information (ESI) available: synthesis of compounds 1‒8 and ORTEP views of4,5 and 6. See http://www.rsc.org/suppdata/cc/b2/b212724e/","Chemical Communications","2003","","9","1034","","10.1039/b212724e","","","0.71073","MO-Kα","","","0.053","","","","0.148","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113930","8.97","0.0006","6.0133","0.0004","28.3443","0.0018","90","","95.276","0.002","90","","1522.39","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","2","","Qiao Ren; Shaofa Sun; Jiayao Huang; Wenjun Li; Minghu Wu; Haibing Guo; Jian Wang","An enantioselective cascade reaction between alpha,beta-unsaturated aldehydes and malonic half-thioesters: a rapid access to chiral delta-lactones","Chem.Commun.","2014","50","","6137","","10.1039/C4CC01736F","","","0.71073","MoKα","","0.085","0.0708","","","0.1707","0.1821","","","","","","1.029","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113944","14.8662","0.0016","39.237","0.004","15.5681","0.0016","90","","102.424","0.005","90","","8868.3","1.6","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H104.5 Nb O3 P -","- C110 H104.5 Nb O3 P -","- C440 H418 Nb4 O12 P4 -","4","2","","Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Binary role of an ylide in formation of a terminal methylidene complex of niobium","Chem.Commun.","2014","50","","6267","","10.1039/C4CC01404A","","","0.71073","MoKα","","0.0551","0.0479","","0.1235","0.119","0.1235","","","","","","0.9776","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113958","9.1427","0.0007","24.503","0.002","24.588","0.002","90","","91.089","0.001","90","","5507.3","0.8","293","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H136 Gd4 N24 O40 -","- C86 H136 Gd4 N24 O40 -","- C172 H272 Gd8 N48 O80 -","2","1","","Xiaoqiang Liang; Feng Zhang; Haixia Zhao; Wei Ye; Lasheng Long; Guangshan Zhu","A proton-conducting lanthanide metal-organic framework integrated with a dielectric anomaly and second-rder nonlinear optical effect","Chem.Commun.","2014","50","","6513","","10.1039/C4CC00458B","","","0.71073","MoKα","","0.0832","0.072","","","0.1989","0.2067","","","","","","1.014","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114027","10.179","0.002","7.4299","0.0015","13.032","0.003","90","","105.87","0.03","90","","948","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,5S,8R)-3-1-ethyl-5-(tert-butyldimethylsiloxy)methyl-8-hydroxy-2,6-dioxabicyclo[3.3.0]octane","(1S,5S,8R)-3-1-ethyl-5-(tert-butyldimethylsiloxy)methyl-8-hydroxy-2,6-dioxabicyclo[3.3.0]octane","","- C15 H28 O5 Si -","- C15 H18.5 O5 Si -","- C30 H37 O10 Si2 -","2","1","","Lee, Hing Ken; Wong, Henry N. C.","An enantioselective synthetic pathway towards plakortones","Chemical Communications","2002","","18","2114","2115","10.1039/b205924j","","","0.71073","MoKα","","0.1221","0.1172","","","0.3036","0.3126","","","","","","1.33","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114086","16.508","0.0004","10.976","0.0002","17.9908","0.0003","90","0.005","107.225","0.0009","90","0.005","3113.58","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H50 N4 O4 Rh -","- C30 H50 N4 O4 Rh -","- C120 H200 N16 O16 Rh4 -","4","2","","Willems, Sander T. H.; Russcher, Jaap C.; Budzelaar, Peter H. M.; Bruin, Bas de; Gelder, René de; Smits, Jan M. M.; W. Gal, Anton","Spontaneous disproportionation of rhodium(i) bisoxazolinates to rhodium(ii)Electronic supplementary information (ESI) available: synthetic procedures (including 1H NMR, 13C NMR and elemental analysis data), EPR spectrum and cyclic voltammogram. See http://www.rsc.org/suppdata/cc/b1/b110183h/","Chemical Communications","2002","","2","148","","10.1039/b110183h","","","0.71073","MoKα","","0.031","0.0282","","0.0792","0.0765","0.0792","","","1.045","","","1.045","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114149","9.886","0.002","12.973","0.003","13.14","0.003","90","","107.83","0.03","90","","1604.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H43 N O4 Si2 -","- C34 H43 N O4 Si2 -","- C68 H86 N2 O8 Si4 -","2","1","","Strohmann, Carsten; Hörnig, Jan; Auer, Dominik","Synthesis of a highly enantiomerically enriched silyllithium compound","Chemical Communications","2002","","7","766","","10.1039/b111687h","","","0.71073","MoKα","","0.0556","0.0524","","0.1416","0.1386","","","","1.064","1.08","1.08","","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114187","7.969","0.0005","13.8284","0.0009","8.1547","0.0005","90","","110.579","0.001","90","","841.29","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl Co N11 -","- C14 H12 Cl Co N11 -","- C28 H24 Cl2 Co2 N22 -","2","1","","Marshall, Shireen R.; Incarvito, Christopher D.; Shum, William W.; Rheingold, Arnold L.; Miller, Joel S.","Novel coordination of dicyanamide, [N(CN)2]???: preferential binding of the amide nitrogen","Chemical Communications","2002","","24","3006","","10.1039/b208872j","","","0.71073","MoKα","","0.0276","0.0268","","","0.0676","0.0679","","","","","","1.033","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114199","14.613","0.003","11.728","0.002","19.24","0.004","90","","101.94","0.01","90","","3226","1.1","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 N8 O17 S3 Tb -","- C51 H72 F9 N8 O17.003 S3 Tb -","- C102 H144 F18 N16 O34.006 S6 Tb2 -","2","1","","Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst","Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/","Chemical Communications","2002","","10","1120","","10.1039/b202862j","","","0.71073","MoKα","","0.0352","0.0323","","","0.0764","0.078","","","","","","1.055","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114200","14.473","0.001","11.845","0.001","19.217","0.002","90","","102.35","0.01","90","","3218.2","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 Er F9 N8 O17 S3 -","- C51 H72 Er F9 N8 O17 S3 -","- C102 H144 Er2 F18 N16 O34 S6 -","2","1","","Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst","Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/","Chemical Communications","2002","","10","1120","","10.1039/b202862j","","","0.71073","MoKα","","0.0284","0.0256","","","0.0623","0.0638","","","","","","1.049","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114201","14.3873","0.0015","11.9307","0.0012","19.289","0.002","90","","102.69","0.01","90","","3230.1","0.6","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 Lu N8 O17 S3 -","- C51 H72 F9 Lu N8 O17 S3 -","- C102 H144 F18 Lu2 N16 O34 S6 -","2","1","","Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst","Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/","Chemical Communications","2002","","10","1120","","10.1039/b202862j","","","0.71073","MoKα","","0.0311","0.0292","","","0.057","0.0589","","","","","","1.072","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114329","8.614","0.0002","4.5655","0.0001","11.0991","0.0004","90","","112.515","0.002","90","","403.23","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,5-Dihydroxy-7-oxa-bicyclo[4.1.0]hept-2-ene-3-carboxylic acid methyl ester","","- C8 H10 O5 -","- C8 H10 O5 -","- C16 H20 O10 -","2","1","","Lorbach, Volker; Franke, Dirk; Nieger, Martin; Müller, Michael","Cyclohexadiene-trans-diols as versatile starting material in natural product synthesis: short and efficient synthesis of iso-crotepoxide and ent-senepoxide","Chemical Communications","2002","","5","494","","10.1039/b110420a","","","0.71073","MoKα","","0.0294","0.029","","","0.0772","0.0776","","","","","","1.097","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114385","15.1163","0.0004","10.6658","0.0003","17.0086","0.0006","90","","114.012","0.0013","90","","2504.93","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H36 B F4 Mn3 O9 -","- C48 H36 B F4 Mn3 O9 -","- C96 H72 B2 F8 Mn6 O18 -","2","1","","Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Seo, Hwimin; Chung, Young Keun","Synthesis of planar chiral (1,3-disubstituted arene)Mn(CO)3+ cations via addition of nucleophiles to (oxocyclohexadienyl)Mn(CO)3 in the presence of chiral ligandsElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b201341j/","Chemical Communications","2002","","11","1230","","10.1039/b201341j","","","0.71073","MoKα","","0.2221","0.1325","","","0.3333","0.3716","","","","","","1.143","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114458","9.4018","0.0004","20.5782","0.0011","11.5621","0.0005","90","","95.605","0.003","90","","2226.25","0.18","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 N O8 Os3 S -","- C16 H13 N O8 Os3 S -","- C64 H52 N4 O32 Os12 S4 -","4","2","","Deeming, Antony J.; Forth, Caroline S.; Hogarth, Graeme; Markham, David; Prince, Jade O.; Steed, Jonathan W.","Slow epimerization of stereochemically rigid diastereomers of the equatorially substituted cluster [Os3H2(??3-S)(CO)8{(S)-PhCHMeNH2}]","Chemical Communications","2002","","19","2230","","10.1039/b203611h","","","0.71073","MoKα","","0.0742","0.0683","","","0.1731","0.1781","","","","","","1.035","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114471","5.8208","0.0008","5.2546","0.0007","14.1791","0.0019","90","","91.791","0.003","90","","433.47","0.1","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","","Clive, Derrick L. J.; Fletcher, Stephen P.","Synthesis of the bicyclic dienone core of the antitumor agent ottelione B","Chemical Communications","2002","","17","1940","","10.1039/b205753k","","","0.71073","MoKα","","0.0423","0.0366","","","0.087","0.0896","","","","","","1.063","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114472","10.4325","0.0014","7.3565","0.001","11.6823","0.0015","90","","96.132","0.003","90","","891.4","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 O3 Si -","- C16 H32 O3 Si -","- C32 H64 O6 Si2 -","2","1","","Clive, Derrick L. J.; Fletcher, Stephen P.","Synthesis of the bicyclic dienone core of the antitumor agent ottelione B","Chemical Communications","2002","","17","1940","","10.1039/b205753k","","","0.71073","MoKα","","0.0842","0.0554","","","0.1125","0.1241","","","","","","1.005","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114510","9.8848","0.0012","12.7563","0.0016","12.3719","0.0016","90","","110.326","0.002","90","","1462.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-2-((3-indolyl)ethyl)aza-15-crown-5.calcium diiodide","","- C20 H40 Ca I2 N2 O9 -","- C20 H40 Ca I2 N2 O9 -","- C40 H80 Ca2 I4 N4 O18 -","2","1","","Hu, Jiaxin; Barbour, Leonard J.; Ferdani, Riccardo; Gokel, George W.","Calcium cation complexation by lariat ether receptors having arene-terminated sidearms","Chemical Communications","2002","","17","1806","","10.1039/b204311b","","","0.71073","MoKα","","0.0279","0.0262","","","0.0624","0.0633","","","","","","1.007","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114567","12.053","0.003","23.593","0.006","20.308","0.005","90","","91.905","0.004","90","","5772","2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H70 Ge3 O4 P3 Pt3 -","- C54 H70 Ge3 O4 P3 Pt3 -","- C216 H280 Ge12 O16 P12 Pt12 -","4","2","","Tanabe, Makoto; Tanaka, Kimiya; Omine, Shumpei; Osakada, Kohtaro","A triangular triplatinum(0) complex with bridging germylene ligands: insertion of alkynes into the Pt‒Ge bond rather than the Pt‒Pt bond","Chemical Communications (Cambridge, United Kingdom)","2014","50","52","6839","6842","10.1039/c4cc00727a","","","0.71073","MoKα","","0.0977","0.0655","","","0.1313","0.1404","","","","","","1.336","","","","has coordinates","210864","2020-10-21","18:00:00",""
"7114571","8.5311","0.0003","19.2561","0.0008","13.411","0.0005","90","","93.333","0.002","90","","2199.38","0.15","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N3 O5 -","- C24 H23 N3 O5 -","- C96 H92 N12 O20 -","4","2","","Pankaj Chauhan; Gregor Urbanietz; Gerhard Raabe; Dieter Enders","Asymmetric synthesis of functionalized cyclohexanes bearing five stereocenters via a one-pot organocatalytic Michael-Michael-1,2-addition sequence","Chem.Commun.","2014","50","","6853","","10.1039/C4CC01885K","","","1.54178","CuKα","","0.027","0.027","","0.029","","0.029","","","1.024","","","1.025","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7114637","12.0918","0.0005","21.3853","0.0009","26.0509","0.0012","90","","92.817","0.003","90","","6728.3","0.5","100","2","99.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67.5 H73 Cl N2 O12 -","- C67.5 H73 Cl N2 O12 -","- C270 H292 Cl4 N8 O48 -","4","2","","Nathan L. Strutt; Huacheng Zhang; J. Fraser Stoddart","Enantiopure pillar[5]arene active domains within a homochiral metal-organic framework","Chem.Commun.","2014","50","","7455","","10.1039/C4CC02559H","","","1.54178","CuKα","","0.0986","0.0824","","","0.2261","0.2421","","","","","","1.039","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7114638","12.9346","0.0018","11.7299","0.0011","21.685","0.003","90","","97.077","0.009","90","","3265","0.7","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C67 H72 N2 O12 -","- C67 H72 N2 O12 -","- C134 H144 N4 O24 -","2","1","","Nathan L. Strutt; Huacheng Zhang; J. Fraser Stoddart","Enantiopure pillar[5]arene active domains within a homochiral metal-organic framework","Chem.Commun.","2014","50","","7455","","10.1039/C4CC02559H","","","1.54178","CuKα","","0.1376","0.0922","","","0.2252","0.2501","","","","","","0.951","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114640","7.4062","0.0014","7.4146","0.0014","16.172","0.003","90","","91.997","0.004","90","","887.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Weiwei Luo; Jiannan Zhao; Chengkai Yin; Xiaohua Liu; Lili Lin; Xiaoming Feng","Catalytic hetero-ene reactions of 5-methyleneoxazolines: highly enantioselective synthesis of 2,5-disubstituted oxazole derivatives","Chem.Commun.","2014","50","","7524","","10.1039/C4CC02809K","","","0.71073","MoKα","","0.0667","0.0466","","","0.0978","0.1069","","","","","","0.957","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114641","11.3897","0.0005","5.3882","0.0002","13.3371","0.0006","90","","106.961","0.005","90","","782.9","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C36 H28 Br2 N2 O6 -","2","1","","Weiwei Luo; Jiannan Zhao; Chengkai Yin; Xiaohua Liu; Lili Lin; Xiaoming Feng","Catalytic hetero-ene reactions of 5-methyleneoxazolines: highly enantioselective synthesis of 2,5-disubstituted oxazole derivatives","Chem.Commun.","2014","50","","7524","","10.1039/C4CC02809K","","","0.7107","MoKα","","0.0603","0.0443","","","0.0796","0.088","","","","","","1.087","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114648","9.8616","0.0009","8.0284","0.0008","9.9965","0.0008","90","","118.639","0.005","90","","694.62","0.11","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C28 H44 O12 -","2","1","","Zachary A. Kasun; Laina M. Geary; Michael J. Krische","Ring expansion of cyclic 1,2-diols to form medium sized rings via ruthenium catalyzed transfer hydrogenative [4+2] cycloaddition","Chem.Commun.","2014","50","","7545","","10.1039/C4CC03983A","","","0.71073","MoKα","","0.0605","0.0412","","","0.0864","0.0973","","","","","","1.028","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114669","10.4175","0.001","8.8264","0.001","12.67","0.002","90","","106.917","0.012","90","","1114.6","0.3","293","2","293","2","","","","","","","synthesis as described -# -#","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O3 -","- C25 H29 N3 O3 -","- C50 H58 N6 O6 -","2","1","","Bennasar, M.-Lluïsa; Zulaica, Ester; Alonso, Yolanda; Bosch, Joan; Mata, Ignasi; Molins, Elies","A biomimetic synthesis of (−)-N(a)-methylervitsine","Chemical Communications","2001","","13","1166","","10.1039/b102010m","","x-ray","0.71073","MoKα","","0.066","0.0374","","","0.1013","0.112","","","","","","1.02","","","","has coordinates","288304","2023-12-14","11:24:30",""
"7114710","7.696","0.004","5.627","0.003","18.628","0.002","90","","95.02","0.02","90","","803.6","0.6","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 F N O -","- C17 H24 F N O -","- C34 H48 F2 N2 O2 -","2","1","","Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu","A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/","Chemical Communications","2001","","22","2394","","10.1039/b107213g","","","1.5418","CuKα","","","0.058","","","","0.1923","","","","","","1.597","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114711","7.855","0.002","5.462","0.002","17.607","0.001","90","","100.9","0.01","90","","741.8","0.3","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 F N O -","- C16 H22 F N O -","- C32 H44 F2 N2 O2 -","2","1","","Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu","A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/","Chemical Communications","2001","","22","2394","","10.1039/b107213g","","","1.5418","CuKα","","","0.0309","","","","0.0839","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114825","9.78","0.003","35.61","0.03","8.843","0.003","90","","92.05","0.03","90","","3078","3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H41 Cl5 Fe S24 -","- C42 H41 Cl5 Fe S24 -","- C84 H82 Cl10 Fe2 S48 -","2","1","","Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin’ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","The crystal structure and physical properties of β-(BDA-TTP)2FeCl4 [BDA-TTP = 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemical Communications","2001","","24","2538","","10.1039/b105264k","","","0.7107","MoK?a","","","0.064","","","","0.046","","","5.196","","","5.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114827","9.35","0.0004","7.4689","0.0003","9.4289","0.0004","90","","116.134","0.001","90","","591.14","0.04","293","2","566","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C2 H7 Cd0.5 Cl N O2.5 S0.5 -","- C2 H7 Cd0.5 Cl N O2.5 S0.5 -","- C8 H28 Cd2 Cl4 N4 O10 S2 -","4","2","","Choudhury, Amitava; Krishnamoorthy, Jayaraman; Rao, C. N. R.","An approach to the synthesis of organically templated open-framework metal sulfates by the amine‒sulfate route","Chemical Communications","2001","","24","2610","","10.1039/b107820h","","","0.71073","MoKα","","0.0219","0.0215","","0.0543","0.0541","","","","1.058","1.071","1.071","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114833","11.483","0.002","16.512","0.003","13.051","0.003","90","","94.82","0.03","90","","2465.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H79 Cl3 N16 O14 -","- C36 H79 Cl3 N16 O14 -","- C72 H158 Cl6 N32 O28 -","2","1","","Bing-guang, Zhang; Hong, Mo; Chun-ying, Duan; Cheng, He; Qing-jin, Meng; Zhe-ming, Wang; Chun-hua, Yan","Novel highly symmetrical cube-shaped cation with 16-nitrogen donors","Chemical Communications","2001","","24","2652","","10.1039/b109206p","","","0.71073","MoKα","","0.131","0.0735","","","0.1759","0.1902","","","","","","1.059","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00",""
"7114845","16.5391","0.0007","12.7151","0.0003","29.6858","0.0012","90","","92.349","0.001","90","","6237.6","0.4","123","1","123","1","","","","","","","","7","P 1 21 1","P 2yb","4","sodium[2.2.2]cryptand cyclotriveratrylene cobalticarborane acetonitrile clathrate","","","- C50 H89.5 B18 Co N2.5 Na O12 -","- C50 H89.5 B18 Co N2.5 Na O12 -","- C200 H358 B72 Co4 N10 Na4 O48 -","4","2","","Hardie, Michaele J.; Raston, Colin L.","Solid state supramolecular assemblies of charged supermolecules (Na[2.2.2]cryptate)+ and anionic carboranes with host cyclotriveratrylene","Chemical Communications","2001","","10","905","","10.1039/b009581h","","","0.71073","MoKα","","0.169","0.127","","","0.2552","0.2787","","","","","","1.061","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7114881","13.759","0.014","16.711","0.017","15.811","0.016","90","","114.533","0.01","90","","3307","6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H70.5 Cl2 N12.5 O13 Ru -","- C56 H70.5 Cl2 N12.5 O13 Ru -","- C112 H141 Cl4 N25 O26 Ru2 -","2","1","","Uppadine, Lindsay H.; Beer, Paul D.; Drew, Michael G. B.","Anion selectivity properties of ruthenium(ii) tris(5,5′-diamide-2,2′-bipyridine) receptors dictated by solvent and amide substituent","Chemical Communications","2001","","3","291","","10.1039/b008822f","","","0.71073","MoKα","","0.2264","0.1163","","","0.2983","0.3532","","","","","","0.936","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114900","8.5301","0.0003","8.5518","0.0004","19.1757","0.0005","90","","94.9043","0.0024","90","","1393.7","0.09","375","2","375","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.06","0.0446","","","0.1111","0.1198","","","","","","1.024","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00",""
"7114901","8.4947","0.0002","8.507","0.0002","19.0535","0.0006","90","","95.705","0.0018","90","","1370.07","0.06","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.0432","0.04","","","0.1075","0.1102","","","","","","1.033","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00",""
"7114902","8.4977","0.0003","8.5665","0.0003","18.4299","0.0008","90","","98.0931","0.0012","90","","1328.25","0.09","240","2","240","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.0613","0.0462","","","0.1086","0.124","","","","","","1.068","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00",""
"7114903","8.4575","0.0002","8.5233","0.0002","18.3756","0.0004","90","","98.2896","0.0013","90","","1310.78","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.0334","0.0311","","","0.0775","0.0793","","","","","","1.065","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114916","9.404","0.001","22.726","0.001","15.382","0.001","90","","95.04","0.01","90","","3274.7","0.4","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H74 Li2 N8 O20 Ti2 -","- C60 H74 Li2 N8 O20 Ti2 -","- C120 H148 Li4 N16 O40 Ti4 -","2","1","","Albrecht, Markus; Napp, Matthias; Schneider, Matthias; Weis, Patrick; Fröhlich, Roland","Kinetic versus thermodynamic control of the self-assembly of isomeric double-stranded dinuclear titanium(iv) complexes from a phenylalanine-bridged dicatechol ligand","Chemical Communications","2001","","5","409","","10.1039/b009657l","","","0.71073","MoKα","","0.1293","0.0682","","","0.121","0.1468","","","","","","1.018","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114968","4.905","0.001","40.139","0.001","6.289","0.001","90","","106.48","0.01","90","","1187.3","0.3","273.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H44 N O8 -","- C22 H41 N O8 -","- C44 H82 N2 O16 -","2","1","","Masuda, Mitsutoshi; Shimizu, Toshimi","Multilayer structure of an unsymmetrical monolayer lipid membrane with a ‘head-to-tail’ interface","Chemical Communications","2001","","23","2442","","10.1039/b106581p","","","1.5418","CuKα","","","0.0304","","","","0.047","","","","","","1.27","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114979","8.4891","0.0002","17.538","0.0003","14.1931","0.0002","90","","93.9331","0.0007","90","","2108.12","0.07","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C96 H108 O30 -","6","3","","Evans, P. Andrew; Raina, Sushil; Ahsan, Khalid","Intramolecular addition of acyl radicals to α-substituted vinylogous carbonates: demonstrating the effect of ring size on acyclic stereocontrolElectronic supplementary information (ESI) available: spectral data (IR, 1H and 13C NMR) and high resolution MS for 1/2a-c, 7‒10. See http://www.rsc.org/suppdata/cc/b1/b106766b/","Chemical Communications","2001","","23","2504","","10.1039/b106766b","","","0.71073","MoKα","","0.0581","0.0444","","0.1292","0.1093","","","","0.904","0.939","0.939","","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114995","8.0816","0.0007","15.039","0.0004","10.9049","0.0009","90","","90.422","0.003","90","","1325.34","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Mn O6 P -","- C27 H26 Mn O6 P -","- C54 H52 Mn2 O12 P2 -","2","1","","Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.","Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction","Chemical Communications","2001","","14","1290","","10.1039/b102693n","","","0.71073","MoKα","","0.0412","0.0379","","","0.1079","0.1159","","","","","","0.486","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7115024","15.1957","0.0004","27.6216","0.0008","16.0219","0.0003","90","","116.572","0.001","90","","6014.5","0.3","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H140 Br9 Li5 O26 Te12 -","- C76 H140 Br9 Li5 O26 Te12 -","- C152 H280 Br18 Li10 O52 Te24 -","2","1","","Citeau, Hélène; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","A novel cage organotellurate(iv) macrocyclic host encapsulating a bromide anion guest: [Li(THF)4][{(PriTe)12O16Br4{Li(THF)Br}4}Br]·2THF","Chemical Communications","2001","","19","2006","","10.1039/b107147p","","","0.71073","MoKα","","0.0629","0.0422","","","0.0748","0.0799","","","","","","0.97","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00",""
"7115036","13.4399","0.0002","10.0105","0.0003","17.9576","0.0004","90","0.0011","100.525","0.002","90","0.0011","2375.37","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H46 Cl2 Hg O4 P2 -","- C56 H46 Cl2 Hg O4 P2 -","- C112 H92 Cl4 Hg2 O8 P4 -","2","1","","Laavanya, Parthasarathi; Venkatasubramanian, Ulaganathan; Panchanatheswaran, Krishnaswamy; Bauer, Jeanette A. Krause","Subtlety in the reactivity of a diketo phosphorus ylide towards mercuric halides: the unprecedented O-coordination of α-acetyl-α-benzoylmethylenetriphenylphosphorane to Hg(ii)","Chemical Communications","2001","","17","1660","","10.1039/b104082k","","","0.71073","MoKα","","0.043","0.0267","","0.0645","0.0587","","","","1.025","1.069","1.069","","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115052","16.8288","0.0008","19.5869","0.0009","20.0979","0.0009","90","","110.327","0.001","90","","6212.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.5 H74.75 N4.25 Ni O9 -","- C60.5 H68.25 N4.25 Ni O9 -","- C242 H273 N17 Ni4 O36 -","4","2","","Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude","Nickel porphyrin nanotweezers","Chemical Communications","2001","","17","1644","","10.1039/b104715a","","","0.71073","MoKα","","0.0954","0.0637","","","0.1649","0.1772","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115062","13.3564","0.0007","14.2879","0.0007","15.4367","0.0009","90","","98.448","0.004","90","","2913.9","0.3","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H58 Br2 N2 P2 Ru -","- C72 H58 Br2 N2 P2 Ru -","- C144 H116 Br4 N4 P4 Ru2 -","2","1","","Cyr, Paul W.; Patrick, Brian O.; James, Brian R.","A remarkable temperature-dependent, accidental degeneracy of 31P NMR chemical shifts in Ru(ii) diphosphine/diimine complexes","Chemical Communications","2001","","17","1570","","10.1039/b103473c","","","0.7107","MoKα","","0.079","0.037","","0.0924","","0.041","","","0.81","","","0.81","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115098","12.0928","0.0014","7.5347","0.0008","12.1177","0.0014","90","","101.59","0.02","90","","1081.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Mo N3 O8 -","- C17 H27 Mo N3 O8 -","- C34 H54 Mo2 N6 O16 -","2","1","","van Staveren, Dave R.; Bothe, Eberhard; Weyhermüller, Thomas; Metzler-Nolte, Nils","Variable temperature electrochemistry as a powerful method for conformational investigations on the fluxional organometallic complex Mo(His-Nɛ-C2H4CO2Me)(η-allyl)(CO)2 (His = Nδ, N,O-l-histidinate)","Chemical Communications","2001","","1","131","","10.1039/b007822k","","","0.71073","MoKα","","0.0281","0.0269","","0.0692","0.0685","","","","1.03","1.035","1.035","","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115174","8.347","0.0019","13.844","0.004","10.3968","0.0019","90","0.013","111.574","0.011","90","0.02","1117.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H32 I2 P2 Pt -","- C17 H32 I2 P2 Pt -","- C34 H64 I4 P4 Pt2 -","2","1","","Fernandez, Elena; Gillon, Amy; Heslop, Katie; Horwood, Emily; Hyett, David J.; Orpen, A. Guy; Pringle, Paul G.","Rationally designed improvement of the bis(phospholano)ethane ligand for asymmetric hydrogenation leads to a reappraisal of the factors governing the enantioselectivity of Duphos catalysts","Chemical Communications","2000","","17","1663","","10.1039/b002994g","","","0.71073","MoKα","","0.0509","0.0361","","","0.0701","0.0733","","","","","","0.927","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115190","8.4141","0.0009","8.4747","0.0009","18.6833","0.0019","90","","97.371","0.002","90","","1321.2","0.2","50","2","50","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C44 H36 B4 Cu2 F16 N20 -","2","1","","Leech, Michael A.; Howard, Judith A. K.; Dahaoui, Slimane; Solanki, Nayan K.; Halcrow, Malcolm A.","A solid-state phase transition at 41 K involving the cooperative ordering of a fluxional pseudo-Jahn‒Teller CuII system","Chemical Communications","1999","","22","2245","","10.1039/a906876g","","","0.71073","MoKα","","0.0232","0.0224","","","0.0588","0.0593","","","","","","1.047","","","","has coordinates,has disorder","180265","2020-10-21","18:00:00",""
"7115191","8.4047","0.0006","25.3897","0.0018","18.6676","0.0013","90","","97.205","0.001","90","","3952.1","0.5","31.5","0.2","31.5","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 B2 Cu F8 N10 -","- C22 H18 B2 Cu F8 N10 -","- C132 H108 B12 Cu6 F48 N60 -","6","3","","Leech, Michael A.; Howard, Judith A. K.; Dahaoui, Slimane; Solanki, Nayan K.; Halcrow, Malcolm A.","A solid-state phase transition at 41 K involving the cooperative ordering of a fluxional pseudo-Jahn‒Teller CuII system","Chemical Communications","1999","","22","2245","","10.1039/a906876g","","","0.71073","MoKα","","0.0303","0.0272","","","0.0717","0.0738","","","","","","1.046","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115231","14.39","0.001","11.928","0.001","19.3","0.001","90","","102.67","0.01","90","","3232.1","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H72 F9 N8 O17 S3 Yb -","- C51.024 H72 F9 N8 O17 S3 Yb -","- C102.048 H144 F18 N16 O34 S6 Yb2 -","2","1","","Batsanov, Andrei S.; Beeby, Andrew; Bruce, James I.; Howard, Judith A. K.; Kenwright, Alan M.; Parker, David","Direct NMR and luminescence observation of water exchange at cationic ytterbium and europium centres","Chemical Communications","1999","","11","1011","","10.1039/a902260k","","","0.71073","MoKα","","0.0232","0.0212","","","0.0508","0.0522","","","","","","1.028","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115237","12.399","0.002","7.6006","0.0007","13.0976","0.0011","90","","108.603","0.008","90","","1169.8","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24.5 Cl N3 O4.25 Pd -","- C22 H24 Cl N3 O4.25 Pd -","- C44 H48 Cl2 N6 O8.5 Pd2 -","2","1","","Leung, Pak-Hing; Ng, Khim-Hui; Li, Yongxin; White, Andrew J. P.; Williams, David J.","Designer cyclopalladated-amine catalysts for the asymmetric Claisen rearrangement","Chemical Communications","1999","","23","2435","","10.1039/a907617d","","","0.71073","MoKα","","0.0369","0.0321","","0.0795","0.0768","","","","1.031","1.051","1.051","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115260","13.831","0.003","33.071","0.006","25.147","0.006","90","","91.34","0.02","90","","11499","4","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26.5 H30 Ag F6 N3 O1.5 P -","- C212 H240 Ag8 F48 N24 O12 P8 -","- C424 H480 Ag16 F96 N48 O24 P16 -","2","1","","Constable, Edwin C.; Housecroft, Dieter Fenske Catherine E.; Kulke, Torsten","Solvent control in the formation of mononuclear and dinuclear double-helical silver(I)-2,2′:6′,2″-terpyridine complexes","Chemical Communications","1998","","23","2659","","10.1039/a807254j","","","0.71073","MoKα","","0.0694","0.0492","","","0.1278","0.1403","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115265","15.683","0.003","16.311","0.003","17.436","0.003","90","","110.279","0.004","90","","4183.8","1.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H49 F6 N5 O S -","- C44 H49 F6 N5 O S -","- C176 H196 F24 N20 O4 S4 -","4","2","","Matea Vlatkovic; Luca Bernardi; Edwin Otten; Ben L. Feringa","Dual stereocontrol over the Henry reaction using a light- and heat-triggered organocatalyst","Chem.Commun.","2014","50","","7773","","10.1039/C4CC00794H","","","1.54178","CuKα","","0.0929","0.059","","","0.1316","0.1468","","","","","","1.022","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115281","11.853","0.0007","21.6446","0.0012","12.5652","0.0011","90","","93.647","0.006","90","","3217.1","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H111 Co N3 O14 V4 -","- C50 H111 Co N3 O14 V4 -","- C100 H222 Co2 N6 O28 V8 -","2","1","","Andrey Seliverstov; Johannes Forster; Magdalena Heiland; Johannes Unfried; Carsten Streb","The anion-binding polyanion: a molecular cobalt vanadium oxide with anion-sensitive visual response","Chem.Commun.","2014","50","","7840","","10.1039/C4CC03827D","","","0.71073","MoKα","","0.0539","0.0455","","","0.1101","0.114","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115320","11.167","0.0016","22.145","0.003","16.594","0.002","90","","108.31","0.002","90","","3895.8","0.9","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H72 N4 O18 Zn3 -","- C76 H72 N4 O18 Zn3 -","- C152 H144 N8 O36 Zn6 -","2","1","","Takayoshi Arai; Noriyuki Sugiyama; Hyuma Masu; Sayaka Kado; Shinnosuke Yabe; Masahiro Yamanaka","A trinuclear Zn3(OAc)4-3,3'-bis(aminoimino)binaphthoxide complex for highly efficient catalytic asymmetric iodolactonization","Chem.Commun.","2014","50","","8287","","10.1039/C4cc02415J","","","0.71073","MoKα","","0.0552","0.0464","","","0.1093","0.1139","","","","","","1.042","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115322","9.9921","0.0007","8.095","0.0006","10.5243","0.0009","90","","107.49","0.002","90","","811.91","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0369","0.0342","","","0.0824","0.0855","","","","","","1.063","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115326","9.789","0.003","9.327","0.003","11.044","0.003","90","","114.811","0.007","90","","915.3","0.5","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C42 H46 N2 O6 S2 -","2","1","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0757","0.0583","","","0.1394","0.1581","","","","","","1.066","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115370","11.8882","0.0003","23.2366","0.0005","15.133","0.0003","90","","95.97","","90","","4157.69","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Ir(C29H35N3)NIr(C29H35N3)][BC24H20]","[Ir(tBuN3Me4)NIr(tBuN3Me4)][BPh4]","","- C89 H105 B Ir2 N7 O -","- C89 H105 B Ir2 N7 O -","- C178 H210 B2 Ir4 N14 O2 -","2","1","","Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger","Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes","Chem.Commun.","2014","50","","8735","","10.1039/C4cc03624G","","","0.71073","MoKα","","0.057","0.0423","","","0.0873","0.098","","","","","","1.062","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7115392","8.1976","0.0005","12.7958","0.0007","11.9888","0.0006","90","","104.227","0.001","90","","1218.99","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C52 H56 N16 O8 -","4","2","","Estela Haldon; Eleuterio Alvarez; M. Carmen Nicasio; Pedro J. Perez","1,2,3-Triazoles from carbonyl azides and alkynes: filling the gap","Chem.Commun.","2014","50","","8978","","10.1039/C4cc03614J","","","0.71073","MoKα","","0.0332","0.0295","","","0.0727","0.0744","","","","","","1.06","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115411","8.9302","0.0002","16.065","0.0004","9.812","0.0003","90","","111.616","0.001","90","","1308.67","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 N2 O2 S2 -","- C31 H30 N2 O2 S2 -","- C62 H60 N4 O4 S4 -","2","1","","Pavol Ondrisek; Rino Schwenk; Jan Cvengros","Synthesis of enantiomerically pure Troger's base derivatives via chiral disulfoxides","Chem.Commun.","2014","50","","9168","","10.1039/C4cc03963G","","","0.71073","MoKα","","0.0446","0.0347","","","0.0693","0.0721","","","","","","1.003","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115412","12.4612","0.0001","9.1606","0.0001","13.5717","0.0002","90","","105.879","0.001","90","","1490.12","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Cl2 N2 O2 S2 -","- C32 H32 Cl2 N2 O2 S2 -","- C64 H64 Cl4 N4 O4 S4 -","2","1","","Pavol Ondrisek; Rino Schwenk; Jan Cvengros","Synthesis of enantiomerically pure Troger's base derivatives via chiral disulfoxides","Chem.Commun.","2014","50","","9168","","10.1039/C4cc03963G","","","0.71073","MoKα","","0.0362","0.0323","","","0.0782","0.0806","","","","","","1.034","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115413","7.6662","0.0011","8.3832","0.0012","12.0468","0.0017","90","","96.193","0.002","90","","769.7","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Br2 N2 -","- C17 H16 Br2 N2 -","- C34 H32 Br4 N4 -","2","1","","Pavol Ondrisek; Rino Schwenk; Jan Cvengros","Synthesis of enantiomerically pure Troger's base derivatives via chiral disulfoxides","Chem.Commun.","2014","50","","9168","","10.1039/C4cc03963G","","","0.71073","MoKα","","0.0569","0.0378","","","0.0578","0.0619","","","","","","0.823","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7115419","12.0177","0.0003","6.57341","0.00014","15.9929","0.0005","90","","110.393","0.003","90","","1184.21","0.06","95","2","95","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C54 H48 Br2 N2 O8 -","2","1","","Hong-Ping Deng; Lars Eriksson; Kalman J. Szabo","Allylic sp3 C-H borylation of alkenes via allyl-Pd intermediates: an efficient route to allylboronates","Chem.Commun.","2014","50","","9207","","10.1039/C4cc04151H","","","0.71073","MoKα","","0.0671","0.0514","","","0.0937","0.1006","","","","","","1.013","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115424","9.8857","0.0003","7.1169","0.0002","10.7398","0.0004","90","","93.306","0.002","90","","754.35","0.04","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0281","0.0274","","","0.0703","0.0709","","","","","","1.035","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115480","7.0231","0.0008","10.3536","0.0006","9.2156","0.0011","90","","93.182","0.004","90","","669.07","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C30 H34 N6 O4 -","2","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0876","0.058","","","0.1239","0.1395","","","","","","1.067","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115481","7.7486","0.0005","7.2","0.0005","8.8891","0.0006","90","","98.796","0.002","90","","490.09","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0391","0.0327","","","0.0835","0.0873","","","","","","1.048","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115485","8.3044","0.0004","10.8929","0.0005","9.6338","0.0005","90","","90.269","0.001","90","","871.45","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O5 -","- C17 H22 N4 O5 -","- C34 H44 N8 O10 -","2","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0395","0.0333","","","0.0835","0.0873","","","","","","1.026","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115486","7.9768","0.0004","24.4818","0.0012","8.0015","0.0004","90","","97.823","0.001","90","","1548.04","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N6 O2 -","- C15 H18 N6 O2 -","- C60 H72 N24 O8 -","4","2","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0518","0.0425","","","0.0982","0.103","","","","","","1.044","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115491","9.1672","0.0005","7.7813","0.0005","12.998","0.0008","90","","99.487","0.002","90","","914.5","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C40 H50 N2 O10 -","2","1","","Minghao Feng; Xuefeng Jiang","Stereoselective construction of a key hydroindole precursor of epidithiodiketopiperazine (ETP) natural products","Chem.Commun.","2014","50","","9690","","10.1039/C4cc04148H","","","0.71073","MoKα","","0.0256","0.0247","","","0.0648","0.0656","","","","","","1.051","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115492","10.2758","0.0003","8.6059","0.00015","10.5383","0.0003","90","","118.016","0.004","90","","822.72","0.05","","","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-(benzo[d][1,3]dioxol-2-yl)-1-phenyl-2-(pyridin-3-yl)propan-1-one","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C42 H34 N2 O6 -","2","1","","Xue-Qiang Chu; Hua Meng; You Zi; Xiao-Ping Xu; Shun-Jun Ji","Metal-free oxidative direct C(sp3)-H bond functionalization of ethers with alpha,alpha-diaryl allylic alcohols","Chem.Commun.","2014","50","","9718","","10.1039/C4cc04282D","","","","","","0.0462","0.0456","","","0.1061","0.107","","","","","","","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115516","11.5255","0.0006","14.8611","0.0008","11.8913","0.0006","90","","92.265","0.003","90","","2035.17","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H41 B F15 O P -","- C44 H41 B F15 O P -","- C88 H82 B2 F30 O2 P2 -","2","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0853","0.0517","","","0.1007","0.1136","","","","","","1.009","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115525","9.784","0.005","8.872","0.004","14.497","0.007","90","","90","0.007","90","","1258.4","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N3 O2 -","- C28 H35 N3 O2 -","- C56 H70 N6 O4 -","2","1","","Yu Tan; Han-Lin Luan; Hua Lin; Xing-Wen Sun; Xiao-Di Yang; Han-Qing Dong; Guo-Qiang Lin","One-pot enantioselective construction of indoloquinolizidine derivatives bearing five contiguous stereocenters using aliphatic aldehydes, nitroethylenes, and tryptamine","Chem.Commun.","2014","50","","10027","","10.1039/C4cc01929F","","","0.71073","MoKα","","0.1097","0.0629","","","0.1604","0.1794","","","","","","0.854","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115529","8.82154","0.00013","38.0697","0.0005","11.69917","0.00016","90","","97.2432","0.0013","90","","3897.62","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H45 Ga Mo N2 O3 -","- C44 H45 Ga Mo N2 O3 -","- C176 H180 Ga4 Mo4 N8 O12 -","4","2","","Igor L. Fedushkin; Vladimir G. Sokolov; Alexander V. Piskunov; Valentine M. Makarov; Eugeny V. Baranov; Gleb A. Abakumov","Adaptive behavior of a redox-active gallium carbenoid in complexes with molybdenum","Chem.Commun.","2014","50","","10108","","10.1039/C4cc04019H","","","0.71073","MoKα","","0.0702","0.0499","","","0.0872","0.0937","","","","","","1.016","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115541","6.1563","0.0013","8.2068","0.0017","14.895","0.003","90","","100.888","0.003","90","","739","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.0743","0.0561","","","0.1288","0.1345","","","","","","1.325","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115542","6.137","0.002","8.934","0.003","14.27","0.005","90","","99.976","0.006","90","","770.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C32 H38 Br2 N4 O4 -","2","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.0529","0.0381","","","0.0817","0.086","","","","","","0.93","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115543","5.8127","0.0007","9.5156","0.0012","11.5873","0.0014","90","","103.442","0.002","90","","623.35","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.0374","0.0347","","","0.0921","0.0946","","","","","","1.055","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115558","7.96","0.0002","6.2115","0.0001","17.0041","0.0003","90","","98.216","0.002","90","","832.11","0.03","259.5","0.9","259.5","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C32 H36 Br2 N2 O8 -","2","1","","Yi-ning Xuan; Zhen-yu Chen; Ming Yan","An organocatalytic cascade reaction of 2-nitrocyclohexanone and alpha,beta-unsaturated aldehydes with unusual regioselectivity","Chem.Commun.","2014","50","","10471","","10.1039/C4cc04298K","","","1.5418","CuKα","","0.0366","0.0346","","","0.088","0.0915","","","","","","1.047","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115589","7.5255","0.0018","3.9957","0.001","19.305","0.005","90","","95.045","0.004","90","","578.2","0.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H8 Br N O S -","- C13 H8 Br N O S -","- C26 H16 Br2 N2 O2 S2 -","2","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0254","0.0245","","","0.0654","0.0658","","","","","","1.211","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115624","10.765","0.01","14.567","0.013","14.658","0.014","90","","97.11","0.02","90","","2281","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 B3 N4 S -","- C22 H35 B3 N4 S -","- C88 H140 B12 N16 S4 -","4","2","","Holger Braunschweig; Christian Horl","Unexpected cluster formation upon hydroboration of a neutral diborene with 9-BBN","Chem.Commun.","2014","50","","10983","","10.1039/C4cc04476B","","","0.71073","MoKα","","0.0975","0.0527","","","0.1064","0.1244","","","","","","0.982","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115685","11.7738","0.00009","12.39402","0.00007","19.49664","0.00013","90","","106.917","0.0007","90","","2721.92","0.03","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27.5 N0.5 O4 -","- C36 H27.5 N0.5 O4 -","- C144 H110 N2 O16 -","4","2","","Weiliang Chen; Xuan Fu; Lili Lin; Xiao Yuan; Weiwei Luo; Juhua Feng; Xiaohua Liu; Xiaoming Feng","An asymmetric [3+2] cycloaddition of alkynes with oxiranes by selective C-C bond cleavage of epoxides: highly efficient synthesis of chiral furan derivatives","Chem.Commun.","2014","50","","11480","","10.1039/C4cc04182H","","","1.54184","CuKα","","0.0261","0.0257","","","0.0668","0.0673","","","","","","1.046","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7115713","9.8251","0.0019","9.502","0.0018","10.709","0.002","90","","107.096","0.003","90","","955.6","0.3","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu","Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging","Chem.Commun.","2014","50","","12058","","10.1039/C4cc04241G","","","0.71073","MoKα","","0.0514","0.0414","","","0.1167","0.1263","","","","","","1.053","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115718","8.8098","0.0002","21.0038","0.0006","17.4138","0.0005","90","","98.837","0.002","90","","3183.99","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29.5 H18 B2 Cl F20 N O -","- C29.5 H18 B2 Cl F20 N O -","- C118 H72 B8 Cl4 F80 N4 O4 -","4","2","","Owen J. Metters; Andy M. Chapman; Alasdair P. M. Robertson; Christopher H. Woodall; Paul J. Gates; Duncan F. Wass; Ian Manners","Generation of aminoborane monomers RR'N[double bond, length as m-dash]BH2 from amine-boronium cations [RR'NH-BH2L]^+^: metal catalyst-free formation of polyaminoboranes at ambient temperature","Chem.Commun.","2014","50","","12146","","10.1039/C4cc05145A","","","0.71073","MoKα","","0.087","0.0615","","","0.1609","0.1798","","","","","","1.036","","","","has coordinates,has disorder","182221","2020-10-21","18:00:00",""
"7115765","8.705","0.002","9.823","0.003","11.361","0.003","90","","97.49","0.006","90","","963.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C44 H48 Br2 N2 O2 -","2","1","","Mu-Wang Chen; Xian-Feng Cai; Zhang-Pei Chen; Lei Shi; Yong-Gui Zhou","Facile construction of three contiguous stereogenic centers via dynamic kinetic resolution in asymmetric transfer hydrogenation of quinolines","Chem.Commun.","2014","50","","12526","","10.1039/C4cc06060A","","","0.71073","MoKα","","0.063","0.0411","","","0.0912","0.1014","","","","","","0.999","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115793","7.5701","0.0007","5.7018","0.0006","14.6979","0.0013","90","","94.682","0.008","90","","632.29","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Jose A. Souto; Willian Lewis; Robert A. Stockman","Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines","Chem.Commun.","2014","50","","12630","","10.1039/C4cc05751A","","x-ray","1.5418","CuKα","K-L~2,3~","0.0329","0.0307","","","0.0787","0.0819","","","","","","1.053","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115844","7.8103","0.0007","17.0401","0.0015","20.5041","0.0016","90","","97.144","0.002","90","","2707.7","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H26 N2 O -","- C39 H26 N2 O -","- C156 H104 N8 O4 -","4","2","","Yuki Naganawa; Tomoya Namba; Tomotaka Aoyama; Kentaro Shoji; Hisao Nishiyama","Design of novel chiral N,N,O-tridentate phenanthroline ligands and their application to enantioselective addition of organozinc reagents to aldehydes","Chem.Commun.","2014","50","","13224","","10.1039/C4cc05020G","","","0.71073","MoKa","","0.0659","0.0441","","","0.0911","0.0988","","","","","","1.149","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115859","12.4493","0.0006","8.2368","0.0004","13.9466","0.0007","90","","95.843","0.002","90","","1422.69","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C70 H76 O10 -","2","1","","B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz","Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations","Chem.Commun.","2014","50","","13353","","10.1039/C4cc06826B","","","0.71073","MoKα","","0.0532","0.0459","","","0.1269","0.1356","","","","","","1.039","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115878","8.9713","0.0003","7.80672","0.00018","9.976","0.0003","90","","111.826","0.004","90","","648.6","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 F O -","- C16 H19 F O -","- C32 H38 F2 O2 -","2","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0291","0.0282","","","0.0789","0.0798","","","","","","1.066","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115894","4.9262","0.0011","38.578","0.009","13.082","0.004","90","","94.038","0.008","90","","2480","1.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl N3 O11 Pt S -","- C21 H22 Cl N3 O11 Pt S -","- C84 H88 Cl4 N12 O44 Pt4 S4 -","4","2","","Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno","Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose","Chem.Commun.","2014","50","","13529","","10.1039/C4cc06775D","","","0.71075","MoKα","","0.2182","0.1332","","","0.2876","0.3226","","","","","","1.123","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115900","12.179","0.003","7.384","0.002","14.019","0.004","90","","92.13","0.006","90","","1259.9","0.6","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H29 Br N2 O5 S Si -","- C21 H29 Br N2 O5 S Si -","- C42 H58 Br2 N4 O10 S2 Si2 -","2","1","","Juan Qi; Guo-Tao Fan; Jie Chen; Ming-Hui Sun; Yu-Ting Dong; Ling Zhou","Catalytic enantioselective bromoamination of allylic alcohols","Chem.Commun.","2014","50","","13841","","10.1039/C4cc05772D","","","0.71073","MoKα","","0.1328","0.0621","","","0.1256","0.1818","","","","","","1.075","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115923","6.904","0.0006","28.724","0.002","8.0911","0.0007","90","","90.129","0.002","90","","1604.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N -","- C21 H21 N -","- C84 H84 N4 -","4","2","","Tapan Maji; Kinthada Ramakumar; Jon A. Tunge","Retro-Claisen benzylation: direct use of benzyl alcohols in Pd-catalyzed couplings with nitriles","Chem.Commun.","2014","50","","14045","","10.1039/C4cc07001A","","","1.54178","CuKα","","0.028","0.0269","","","0.0694","0.0705","","","","","","1.027","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115939","8.2594","0.0003","13.6877","0.0005","32.5308","0.0011","90","","90.29","0.002","90","","3677.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H74 Ca O15 P2 -","- C86 H73 Ca O15 P2 -","- C172 H146 Ca2 O30 P4 -","2","1","","Tao Liang; Guilong Li; Lukasz Wojtas; Jon C. Antilla","Chiral metal phosphate catalysis: highly asymmetric hetero-Diels-Alder reactions","Chem.Commun.","2014","50","","14187","","10.1039/C4cc06520D","","","1.54178","CuKα","","0.0908","0.0756","","","0.1641","0.1736","","","","","","1.055","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115952","12.0921","0.0005","12.0539","0.0005","18.6826","0.0008","90","","100.115","0.004","90","","2680.8","0.2","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H52 Br2 N2 O14 -","- C54 H52 Br2 N2 O14 -","- C108 H104 Br4 N4 O28 -","2","1","","Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds","Chem.Commun.","2014","50","","14601","","10.1039/C4cc05207B","","","0.71073","MoKα","","0.1458","0.0658","","","0.1455","0.1806","","","","","","1.002","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115953","10.766","0.0007","8.7896","0.0005","13.4136","0.0009","90","","108.706","0.007","90","","1202.26","0.14","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl N O6 -","- C25 H26 Cl N O6 -","- C50 H52 Cl2 N2 O12 -","2","1","","Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds","Chem.Commun.","2014","50","","14601","","10.1039/C4cc05207B","","","0.71073","MoKα","","0.0963","0.0615","","","0.1314","0.1532","","","","","","1.034","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115966","6.0146","0.0003","23.0686","0.0008","9.9522","0.0003","90","","96.97","0.004","90","","1370.65","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Fe N -","- C17 H17 Fe N -","- C68 H68 Fe4 N4 -","4","2","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0362","0.0303","","","0.0684","0.0719","","","","","","1.042","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115967","5.8706","0.0002","24.6518","0.0007","14.8502","0.0006","90","","90.859","0.003","90","","2148.89","0.13","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 Fe O2 -","- C27 H24 Fe O2 -","- C108 H96 Fe4 O8 -","4","2","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0464","0.0381","","","0.0764","0.0813","","","","","","1.055","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116011","9.621","0.002","14.084","0.004","12.671","0.003","90","","91.151","0.005","90","","1716.6","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 I3 N2 -","- C36 H39 I3 N2 -","- C72 H78 I6 N4 -","2","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0852","0.0775","","","0.2372","0.2449","","","","","","1.048","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116059","8.1749","0.0004","10.0931","0.0004","33.0892","0.0012","90","","91.786","0.004","90","","2728.9","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H60 B Cl N2 O2 P3 Re -","- C55 H60 B Cl N2 O2 P3 Re -","- C110 H120 B2 Cl2 N4 O4 P6 Re2 -","2","1","","Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham","Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes","Chem.Commun.","2014","50","","15503","","10.1039/C4cc06367H","","","0.71073","MoKα","","0.0392","0.0348","","","0.0732","0.0749","","","","","","1.013","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116102","9.2447","0.0008","15.2085","0.0012","10.6362","0.0009","90","","98.28","0.003","90","","1479.8","0.2","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(OC-6-33)-tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)(4-oxo-DL-phenylalanyl-5-trifluoromethyl-2H-1,2,3-triazolate-N2) manganese(I)","","- C29 H24 F3 Mn N6 O6 -","- C29 H24 F3 Mn N6 O6 -","- C58 H48 F6 Mn2 N12 O12 -","2","1","","Lucas Henry; Christoph Schneider; Benedict Mutzel; Peter V. Simpson; Christoph Nagel; Katharina Fucke; Ulrich Schatzschneider","Amino acid bioconjugation via iClick reaction of an oxanorbornadiene-masked alkyne with a MnI(bpy)(CO)3-coordinated azide","Chem.Commun.","2014","50","","15692","","10.1039/C4cc07892F","","x-ray","0.71073","MoKα","","0.0373","0.0329","","","0.0728","0.075","","","","","","1.0369","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116104","5.8905","0.00007","23.7962","0.0003","9.09712","0.00012","90","","102.961","0.0013","90","","1242.67","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(5-hydroxy-4-methyl-2-(4-methyl-3-nitropyrrolidin-2-yl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)ethyl 2-methylbenzoate","","- C27 H27 Br N2 O5 -","- C27 H27 Br N2 O5 -","- C54 H54 Br2 N4 O10 -","2","1","","Yang Li; Francisco Javier Lopez-Delgado; Danny Kaare Bech Jorgensen; Rune Pagh Nielsen; Hao Jiang; Karl Anker Jorgensen","Trienamine-mediated asymmetric [4+2]-cycloaddition of alpha,beta-unsaturated ester surrogates applying 4-nitro-5-styrylisoxazoles","Chem.Commun.","2014","50","","15689","","10.1039/C4cc08171D","","x-ray","0.71073","MoKα","","0.0518","0.0491","","","0.1333","0.1355","","","","","","1.038","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116203","13.6665","0.0006","5.3783","0.0002","14.176","0.0006","90","","115.422","0.002","90","","941.08","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N2 O S -","- C23 H17 Cl N2 O S -","- C46 H34 Cl2 N4 O2 S2 -","2","1","","Ni, Qijian; Song, Xiaoxiao; Xiong, Jiawen; Raabe, Gerhard; Enders, Dieter","Regio- and stereoselective synthesis of benzothiazolo-pyrimidinones via an NHC-catalyzed Mannich/lactamization domino reaction.","Chemical communications (Cambridge, England)","2014","51","7","1263","1266","10.1039/c4cc08594a","","","1.54178","CuKα","","0.026","0.026","","0.032","","0.032","","","1.002","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116227","5.0119","0.0011","7.769","0.0017","9.995","0.002","90","","102.595","0.003","90","","379.81","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","JU102","","- Al H5 Mg O10 P2 -","- Al H5 Mg O10 P2 -","- Al2 H10 Mg2 O20 P4 -","2","1","","Mu, Ying; Wang, Yanyan; Li, Yi; Li, Jiyang; Yu, Jihong","Organotemplate-free synthesis of an open-framework magnesium aluminophosphate with proton conduction properties.","Chemical communications (Cambridge, England)","2015","51","11","2149","2151","10.1039/c4cc08964b","","","0.71073","MoKα","","0.0252","0.0243","","","0.0616","0.0623","","","","","","1.114","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116233","6.8289","0.0007","13.5136","0.0012","12.1421","0.0011","90","","106.143","0.002","90","","1076.33","0.18","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C48 H46 N6 O8 -","2","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Zhang, Juan-Juan; Huang, Zhi-Bin; Shi, Da-Qing","Highly selective synthesis of functionalized polyhydroisoquinoline derivatives via a three-component domino reaction.","Chemical communications (Cambridge, England)","2015","51","8","1528","1531","10.1039/c4cc08900f","","","0.71073","MoKα","","0.1146","0.0544","","","0.071","0.0817","","","","","","0.908","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116311","10.417","0.005","10","0.005","11.057","0.005","90","","106.396","0.005","90","","1105","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br N2 O4 -","- C22 H25 Br N2 O4 -","- C44 H50 Br2 N4 O8 -","2","1","","Jia, Minqiang; Monari, Magda; Yang, Qing-Qing; Bandini, Marco","Enantioselective gold catalyzed dearomative [2+2]-cycloaddition between indoles and allenamides.","Chemical communications (Cambridge, England)","2015","51","12","2320","2323","10.1039/c4cc08736d","","","0.71073","MoKα","","0.0595","0.0493","","","0.1308","0.1369","","","","","","1.038","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116313","7.7401","0.0004","14.0157","0.001","14.8926","0.001","90","","91.699","0.005","90","","1614.88","0.18","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O3 S -","- C17 H14 Cl N O3 S -","- C68 H56 Cl4 N4 O12 S4 -","4","2","","An, Qianjin; Li, Jing; Shen, Jiefeng; Butt, Nicholas; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Asymmetric tandem reactions of N-sulfonylimines and α,β-unsaturated aldehydes: an alternative reaction pathway to that of using saturated aldehydes","Chemical Communications (Cambridge, United Kingdom)","2015","51","5","885","888","10.1039/c4cc07051h","","","0.71073","MoKα","","0.0899","0.0629","","","0.1593","0.1783","","","","","","0.985","","","","has coordinates","211014","2020-10-21","18:00:00",""
"7116314","9.6683","0.0003","5.72898","0.00013","16.9335","0.0005","90","","104.603","0.003","90","","907.64","0.05","294.54","0.1","294.54","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C40 H36 Br2 N2 O4 -","2","1","","Xiao-Hong Wei; Gang-Wei Wang; Shang-Dong Yang","Enantioselective synthesis of arylglycine derivatives by direct C-H oxidative cross-coupling","Chem.Commun.","2015","51","","832","","10.1039/C4cc07361D","","","1.54184","CuKα","","0.0418","0.0409","","","0.1099","0.1113","","","","","","1.033","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116327","4.9386","0.0003","15.0974","0.0009","13.3932","0.0015","90","","97.286","0.007","90","","990.53","0.14","100","2","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0894","0.0613","","","0.0938","0.1073","","","","","","0.983","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116328","4.9807","0.0002","15.9306","0.0006","12.0456","0.0005","90","","99.174","0.004","90","","943.54","0.07","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C42 H44 N4 O4 S2 -","2","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0537","0.0444","","","0.0812","0.0859","","","","","","1.034","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116329","4.969","0.0002","11.3897","0.0004","15.0388","0.0005","90","","91.707","0.003","90","","850.75","0.05","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C38 H36 N4 O4 S2 -","2","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0364","0.0337","","","0.0695","0.0719","","","","","","1.054","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116387","10.3285","0.0006","17.8133","0.0012","10.5822","0.0007","90","","100.506","0.004","90","","1914.3","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","1","","Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law","Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix","Chem.Commun.","2015","51","","592","","10.1039/C4cc08362H","","","0.71073","MoKα","","0.1163","0.0583","","","0.1407","0.1712","","","","","","1.021","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116389","15.889","0.008","18.207","0.012","23.994","0.015","90","","95.206","0.015","90","","6913","7","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C98 H167 Ag12 N12 O0.5 P6 Si6 -","- C98 H167 Ag12 N12 O0.5 P6 Si6 -","- C196 H334 Ag24 N24 O P12 Si12 -","2","1","","Bahareh Khalili Najafabadi; John F. Corrigan","N-Heterocyclic carbene stabilized Ag-P nanoclusters","Chem.Commun.","2015","51","","665","","10.1039/C4cc06560C","","","0.71073","MoKα","","0.1165","0.0572","","","0.1149","0.1359","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116408","12.3713","0.0007","20.3783","0.0011","12.4856","0.0007","90","","114.919","0.0019","90","","2854.7","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63 H86 B2 Be N6 -","- C63 H86 B2 Be N6 -","- C126 H172 B4 Be2 N12 -","2","1","","T. Arnold; H. Braunschweig; W. C. Ewing; T. Kramer; J. Mies; J. K. Schuster","Beryllium bis(diazaborolyl): old neighbors finally shake hands","Chem.Commun.","2015","51","","737","","10.1039/C4cc08519A","","","0.71073","MoKα","","0.0663","0.0469","","","0.0929","0.1025","","","","","","1.032","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116410","8.2226","0.0005","39.325","0.002","10.4346","0.0007","90","","91.494","0.001","90","","3372.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H38 N4 Ni O6 -","- C37 H38 N4 Ni O6 -","- C148 H152 N16 Ni4 O24 -","4","2","","Tingting Li; Shengbin Zhou; Jiang Wang; Jose Luis Acena; Vadim A. Soloshonok; Hong Liu","Asymmetric synthesis of alpha-(1-oxoisoindolin-3-yl)glycine: synthetic and mechanistic challenges","Chem.Commun.","2015","51","","1624","","10.1039/C4cc05659K","","","0.71073","MoKα","","0.0541","0.0485","","","0.1159","0.1193","","","","","","1.056","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116453","5.3666","0.0003","14.0877","0.0007","11.0289","0.0006","90","","94.065","0.003","90","","831.72","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C40 H34 N6 O6 -","2","1","","Daniel Hack; Pankaj Chauhan; Kristina Deckers; Yusuke Mizutani; Gerhard Raabe; Dieter Enders","Combining silver- and organocatalysis: an enantioselective sequential catalytic approach towards pyrano-annulated pyrazoles","Chem.Commun.","2015","51","","2266","","10.1039/C4cc09495F","","","1.54178","CuKα","","0.031","0.031","","0.035","","0.035","","","1.271","","","1.273","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116468","11.316","0.002","24.717","0.002","14.0638","0.0011","90","","100.065","0.003","90","","3873.1","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 F12 N3 O15 P3 -","- C64 H80 F12 N3 O15 P3 -","- C128 H160 F24 N6 O30 P6 -","2","1","","Wang, Qi; Cheng, Ming; Xiong, Shuhan; Hu, Xiao-Yu; Jiang, Juli; Wang, Leyong; Pan, Yi","P[double bond, length as m-dash]O functional group-containing cryptands: from supramolecular complexes to poly[2]pseudorotaxanes.","Chemical communications (Cambridge, England)","2015","51","13","2667","2670","10.1039/c4cc09487e","","","0.71073","MoKα","","0.0551","0.054","","","0.1368","0.1372","","","","","","1.064","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116519","14.085","0.002","20.896","0.002","28.155","0.003","90","","98.184","0.002","90","","8202.2","1.7","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79.5 H93 Cl N O16 P4 -","- C79.5 H90 Cl N O16 P4 -","- C318 H360 Cl4 N4 O64 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1999","0.0915","","","0.2281","0.2928","","","","","","0.969","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116521","13.9589","0.0006","37.935","0.002","15.3453","0.0006","90","","91.459","0.001","90","","8123.2","0.6","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78.5 H93 Cl N O17 P4 -","- C78.5 H85.5 Cl N O17 P4 -","- C314 H342 Cl4 N4 O68 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1304","0.0804","","","0.2117","0.2463","","","","","","1.006","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116522","13.917","0.002","37.798","0.006","15.357","0.002","90","","91.273","0.002","90","","8076","2","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H90 Cl N O15 P4 -","- C79 H83 Cl N O15 P4 -","- C316 H332 Cl4 N4 O60 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.2799","0.1144","","","0.2672","0.3578","","","","","","0.999","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116523","13.898","0.002","37.849","0.005","15.383","0.002","90","","91.633","0.002","90","","8088.6","1.9","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78.5 H90 Cl N O15.5 P4 -","- C78.5 H86 Cl N O15.5 P4 -","- C314 H344 Cl4 N4 O62 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1644","0.0933","","","0.2468","0.2951","","","","","","1.009","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116551","5.8959","0.0003","11.7317","0.0006","12.73","0.0009","90","","96.833","0.006","90","","874.27","0.09","293.66","0.1","293.66","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br O4 -","- C19 H17 Br O4 -","- C38 H34 Br2 O8 -","2","1","","Jun-Bing Lin; Shi-Ming Xu; Ji-Kang Xie; Hong-Yu Li; Peng-Fei Xu","An organocatalytic Michael-cyclization cascade of 4-oxa-alpha,beta-unsaturated carboxylic acids with aldehydes: facile synthesis of chiral gamma-lactols and trisubstituted gamma-lactones","Chem.Commun.","2015","51","","3596","","10.1039/C4cc09686J","","","0.7107","MoKα","","0.0864","0.0522","","","0.105","0.124","","","","","","1.084","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116552","5.6167","0.0003","25.0791","0.0011","11.3191","0.0006","90","","90.779","0.005","90","","1594.28","0.14","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","2","","Jun-Bing Lin; Shi-Ming Xu; Ji-Kang Xie; Hong-Yu Li; Peng-Fei Xu","An organocatalytic Michael-cyclization cascade of 4-oxa-alpha,beta-unsaturated carboxylic acids with aldehydes: facile synthesis of chiral gamma-lactols and trisubstituted gamma-lactones","Chem.Commun.","2015","51","","3596","","10.1039/C4cc09686J","","","0.71073","MoKα","","0.1025","0.0616","","","0.1151","0.1424","","","","","","1.061","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116590","9.4993","0.0003","18.9341","0.0003","15.0393","0.0002","90","","97.203","0.003","90","","2683.63","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N O6 -","- C31 H24 Br N O6 -","- C124 H96 Br4 N4 O24 -","4","2","","Haipeng Hu; Yangbin Liu; Jing Guo; Lili Lin; Yali Xu; Xiaohua Liu; Xiaoming Feng","Enantioselective synthesis of dihydrocoumarin derivatives by chiral scandium(III)-complex catalyzed inverse-electron-demand hetero-Diels-Alder reaction","Chem.Commun.","2015","51","","3835","","10.1039/C4cc10343B","","","1.54184","CuKα","","0.0547","0.0533","","","0.1433","0.1457","","","","","","1.042","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7116599","10.0833","0.0002","9.8576","0.0002","12.7262","0.0003","90","","95.327","0.001","90","","1259.48","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N4 O8 Ru -","- C24 H20 Cl N4 O8 Ru -","- C48 H40 Cl2 N8 O16 Ru2 -","2","1","","Javier J. Concepcion; Diane K. Zhong; David J. Szalda; James T. Muckerman; Etsuko Fujita","Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the 'blue dimer'","Chem.Commun.","2015","51","","4105","","10.1039/C4cc07968J","","","0.71073","MoKα","","0.0419","0.031","","","0.0614","0.0649","","","","","","0.993","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116610","7.71","0.002","12.999","0.004","17.692","0.005","90","","92.506","0.008","90","","1771.4","0.9","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H22 F N2 O5 P -","- C14 H22 F N2 O5 P -","- C56 H88 F4 N8 O20 P4 -","4","2","","Inmaculada Serrano; David Monge; Eleuterio Alvarez; Rosario Fernandez; Jose M. Lassaletta","Asymmetric organocatalytic synthesis of quaternary alpha-hydroxy phosphonates: en route to alpha-aryl phosphaisoserines","Chem.Commun.","2015","51","","4077","","10.1039/C4cc10390D","","","0.71073","MoKα","","0.1084","0.061","","","0.1644","0.2394","","","","","","1.011","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116649","14.4388","0.0005","14.3302","0.0005","14.9599","0.0005","90","","94.1029","0.001","90","","3087.43","0.18","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H76 Br2 Ir2 N4 -","- C72 H76 Br2 Ir2 N4 -","- C144 H152 Br4 Ir4 N8 -","2","1","","Yusuke Kita; Kosuke Higashida; Kenta Yamaji; Atsuhiro Iimuro; Kazushi Mashima","Asymmetric hydrogenation of quinazolinium salts catalysed by halide-bridged dinuclear iridium complexes bearing chiral diphosphine ligands","Chem.Commun.","2015","51","","4380","","10.1039/C5cc00258C","","","0.71075","MoKα","","0.0566","0.0393","","","0.0688","0.0716","","","","","","1.004","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116652","9.1418","0.0009","9.388","0.001","12.6939","0.0013","90","","110.69","0.002","90","","1019.17","0.18","293","2","293","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","cd214397","","- C20 H23 N O6 S2 -","- C20 H23 N O6 S2 -","- C40 H46 N2 O12 S4 -","2","1","","Chao Song; Wen Yang; Nannan Zhou; Rui Qian; Yajun Zhang; Kaiyan Lou; Rui Wang; Wei Wang","Fluorescent theranostic agents for Hg2+ detection and detoxification treatment","Chem.Commun.","2015","51","","4443","","10.1039/C5cc00295H","","","0.71073","MoKα","","0.0459","0.0403","","","0.0941","0.0974","","","","","","1.025","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116739","15.777","0.004","10.03","0.003","17.685","0.005","90","","100.09","0.004","90","","2755.3","1.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26.5 H36.5 Br2 Fe N3.5 O1.5 -","- C26.5 H36.5 Br2 Fe N3.5 O1.5 -","- C106 H146 Br8 Fe4 N14 O6 -","4","2","","Ziqing Zuo; Lei Zhang; Xuebing Leng; Zheng Huang","Iron-catalyzed asymmetric hydrosilylation of ketones","Chem.Commun.","2015","51","","5073","","10.1039/C5cc00612K","","","0.71073","MoKα","","0.1988","0.0715","","","0.1144","0.1556","","","","","","0.973","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7116742","8.4996","0.0003","14.4218","0.0007","26.0595","0.0011","90","","97.616","0.002","90","","3166.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Iron(III)","Iron(III) 2-[(2-Hydroxynaphthalen-1-ylmethylene)amino]-N-(1-phenethyl)benzamide tetrahydrofuran solvate","","- C32 H33 Fe N4 O9.5 -","- C32 H33 Fe N4 O9.5 -","- C128 H132 Fe4 N16 O38 -","4","2","","R. Gautam; E. A. Akam; A. V. Astashkin; J. J. Loughrey; E. Tomat","Sirtuin inhibitor sirtinol is an intracellular iron chelator","Chem.Commun.","2015","51","","5104","","10.1039/C5cc00829H","","","0.71073","MoKα","","0.067","0.0404","","","0.0826","0.0924","","","","","","1.017","","","","has coordinates,has disorder","192220","2020-10-21","18:00:00",""
"7116759","8.223","0.001","20.352","0.002","14.3","0.002","90","","105.02","0.007","90","","2311.4","0.5","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-dibenzyl 1-(1-oxo-1-(((prop-2-yn-1-yloxy)carbonyl)amino)propan-2-yl) hydrazine-1,2-dicarboxylate","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","2","","Audrey Dumoulin; Claudia Lalli; Pascal Retailleau; Geraldine Masson","Catalytic, highly enantioselective, direct amination of enecarbamates","Chem.Commun.","2015","51","","5383","","10.1039/C4cc08052A","","","1.54187","CuKα","","0.1126","0.0655","","","0.1356","0.1916","","","","","","1.095","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116785","13.0668","0.0011","6.8152","0.0004","21.0073","0.0018","90","","90.568","0.008","90","","1870.7","0.3","119.99","0.18","119.99","0.18","","","","","","","","7","P 1 21 1","P 2yb","4","","3.SbF6","","- C14 H15 F6 N4 O Pd Sb -","- C14 H15 F6 N4 O Pd Sb -","- C56 H60 F24 N16 O4 Pd4 Sb4 -","4","2","","Michael R. Chapman; Christopher M. Pask; Alireza Ariafard; Charlotte E. Willans","sigma-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond","Chem.Commun.","2015","51","","5513","","10.1039/C4cc10163D","","","0.71073","MoKα","","0.1393","0.1189","","","0.3056","0.3264","","","","","","1.071","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116798","10.82","0.006","11.235","0.007","15.074","0.009","90","","110.637","0.012","90","","1714.9","1.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H51 N O2 Zr -","- C36 H51 N O2 Zr -","- C72 H102 N2 O4 Zr2 -","2","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.1468","0.0636","","","0.1527","0.2144","","","","","","0.83","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116802","10.0708","0.001","16.4364","0.0016","29.62","0.003","90","","91.34","0.002","90","","4901.6","0.8","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H61 N O2 Zr -","- C53 H61 N O2 Zr -","- C212 H244 N4 O8 Zr4 -","4","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.1365","0.0637","","","0.1017","0.1158","","","","","","0.922","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116803","12.3987","0.0011","10.2035","0.0009","35.906","0.003","90","","91.315","0.002","90","","4541.3","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H59 N O2 Zr -","- C56 H59 N O2 Zr -","- C224 H236 N4 O8 Zr4 -","4","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0532","0.0513","","","0.1253","0.1275","","","","","","1.15","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116804","9.9153","0.001","39.191","0.004","10.9485","0.0011","90","","93.596","0.002","90","","4246.1","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H55 N O2 Zr -","- C50 H55 N O2 Zr -","- C200 H220 N4 O8 Zr4 -","4","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0343","0.0333","","","0.0838","0.0842","","","","","","1.092","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116805","10.249","0.004","10.086","0.004","20.139","0.008","90","","102.78","0.007","90","","2030.2","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H51 N O2 Zr -","- C49 H51 N O2 Zr -","- C98 H102 N2 O4 Zr2 -","2","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0555","0.0405","","","0.1065","0.1389","","","","","","1.009","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116816","14.4045","0.0011","6.2322","0.0005","23.4872","0.0018","90","","103.762","0.002","90","","2048","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C80 H116 N4 O28 -","4","2","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.0543","0.0382","","","0.0803","0.0872","","","","","","1.007","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116817","13.74","0.005","6.188","0.003","15.056","0.006","90","","113.998","0.008","90","","1169.5","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O7 -","- C24 H31 N O7 -","- C48 H62 N2 O14 -","2","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.0484","0.0429","","","0.1157","0.1191","","","","","","1.052","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116818","14.634","0.003","6.2305","0.0012","11.855","0.002","90","","102.86","0.03","90","","1053.8","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C40 H58 N2 O14 -","2","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.042","0.0351","","","0.0848","0.0888","","","","","","1.016","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116823","13.0848","0.0004","13.5713","0.0004","16.2698","0.0005","90","","94.205","0.002","90","","2881.38","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O5 S2 -","- C30 H38 N2 O5 S2 -","- C120 H152 N8 O20 S8 -","4","2","","Yi Li; Marcel Hartmann; Constantin Gabriel Daniliuc; Armido Studer","Radical aminooxygenation of alkenes with N-fluoro-benzenesulfonimide (NFSI) and TEMPONa","Chem.Commun.","2015","51","","5706","","10.1039/C5cc00591D","","","1.54178","CuKα","","0.0419","0.033","","","0.066","0.0689","","","","","","1.03","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7117029","5.826","0.004","17.749","0.01","14.404","0.009","90","","93.154","0.009","90","","1487.2","1.6","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","2","","Junli Hou; Yang Chen; Dongmei Ma; Burghard Cordes; Jingyun Wang; Xin Wang; Fritz E. Kuhn; Hao Guo; Mingdong Zhou","Methyltrioxorhenium-catalyzed highly selective dihydroxylation of 1,2-allenylic diphenyl phosphine oxides","Chem.Commun.","2015","51","","7439","","10.1039/C5cc01160D","","","0.71073","MoKα","","0.1365","0.0962","","","0.2391","0.2647","","","","","","1.061","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117030","5.8589","0.0019","17.826","0.005","14.463","0.005","90","","93.258","0.005","90","","1508.1","0.8","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","2","","Junli Hou; Yang Chen; Dongmei Ma; Burghard Cordes; Jingyun Wang; Xin Wang; Fritz E. Kuhn; Hao Guo; Mingdong Zhou","Methyltrioxorhenium-catalyzed highly selective dihydroxylation of 1,2-allenylic diphenyl phosphine oxides","Chem.Commun.","2015","51","","7439","","10.1039/C5cc01160D","","","0.71073","MoKα","","0.0826","0.0747","","","0.2087","0.2177","","","","","","1.099","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117072","13.8568","0.0003","15.8847","0.0004","15.2073","0.0004","90","","96.046","0.001","90","","3328.68","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H42 Cl2 Cu N2 O2 -","- C36 H42 Cl2 Cu N2 O2 -","- C144 H168 Cl8 Cu4 N8 O8 -","4","2","","Koichi Tanaka; Tomoharu Iwashita; Erika Yoshida; Tomomi Ishikawa; Shinya Otuka; Zofia Urbanczyk-Lipkowska; Hiroki Takahashi","Solvent-dependent strong asymmetric amplification in the catalytic enantioselective Henry reaction using the trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine-CuCl2 complex","Chem.Commun.","2015","51","","7907","","10.1039/C5cc02302E","","","1.54178","CuKα","","0.0271","0.027","","","0.0696","0.0697","","","","","","1.053","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117082","5.7758","0.0005","20.087","0.0019","7.3139","0.0006","90","","92.951","0.008","90","","847.42","0.13","295.3","0.3","295.3","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","3a","Thiazolo Pyrone","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C40 H34 N2 O4 S2 -","2","1","","Li Lin; Yuhong Yang; Mei Wang; Luhao Lai; Yarong Guo; Rui Wang","Oxidative N-heterocyclic carbene catalyzed stereoselective annulation of simple aldehydes and 5-alkenyl thiazolones","Chem.Commun.","2015","51","","8134","","10.1039/C5cc01587A","","","0.71073","MoKα","","0.0748","0.0639","","","0.1462","0.1582","","","","","","1.079","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117083","5.7825","0.0017","20.098","0.002","7.311","0.0008","90","","92.824","0.015","90","","848.6","0.3","294.59","0.1","294.59","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","3a'","Thiazolo Pyrone 3a'","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C40 H34 N2 O4 S2 -","2","1","","Li Lin; Yuhong Yang; Mei Wang; Luhao Lai; Yarong Guo; Rui Wang","Oxidative N-heterocyclic carbene catalyzed stereoselective annulation of simple aldehydes and 5-alkenyl thiazolones","Chem.Commun.","2015","51","","8134","","10.1039/C5cc01587A","","","0.71073","MoKα","","0.0784","0.0569","","","0.1407","0.1877","","","","","","0.908","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117096","7.396","0.0002","10.9122","0.0002","11.2342","0.0003","90","","104.382","0.003","90","","878.26","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 F6 Fe N P -","- C18 H16 F6 Fe N P -","- C36 H32 F12 Fe2 N2 P2 -","2","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0386","0.0355","","","0.089","0.091","","","","","","1.054","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117133","5.897","0.002","13.924","0.005","12.852","0.004","90","","96.001","0.01","90","","1049.5","0.6","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl3 F2 N O Pt S -","- C20 H16 Cl3 F2 N O Pt S -","- C40 H32 Cl6 F4 N2 O2 Pt2 S2 -","2","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","","0.71073","MoKα","","0.0306","0.0285","","","0.0642","0.0648","","","","","","1.004","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117139","16.4359","0.0008","15.6364","0.0007","19.2398","0.0014","90","","92.863","0.006","90","","4938.4","0.5","143.15","","143.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H71 B2 F8 N4 Ni O6.5 -","- C44 H41 B2 F8 N4 Ni O6.5 -","- C176 H164 B8 F32 N16 Ni4 O26 -","4","2","","Yulong Zhang; Na Yang; Xiaohua Liu; Jing Guo; Xiying Zhang; Lili Lin; Changwei Hu; Xiaoming Feng","Reversal of enantioselective Friedel-Crafts C3-alkylation of pyrrole by slightly tuning the amide units of N,N'-dioxide ligands","Chem.Commun.","2015","51","","8432","","10.1039/C4cc10055G","","","0.71073","MoKα","","0.186","0.1054","","","0.2645","0.3131","","","","","","0.995","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117150","7.323","0.005","12.346","0.009","9.152","0.006","90","","108.447","0.017","90","","784.9","0.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 O2 S -","- C18 H20 O2 S -","- C36 H40 O4 S2 -","2","1","","Ryosuke Takechi; Takahiro Nishimura","Enantioselective 1,4-addition of cyclopropylboronic acid catalyzed by rhodium/chiral diene complexes","Chem.Commun.","2015","51","","8528","","10.1039/C5cc02140E","","","1.54187","CuKα","","0.0336","0.0323","","","0.0822","0.0839","","","","","","1.026","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117154","10.4449","0.0008","7.9864","0.0006","11.2224","0.0009","90","","93.069","0.007","90","","934.8","0.13","292.88","0.1","292.88","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl F3 N2 O2 -","- C20 H16 Cl F3 N2 O2 -","- C40 H32 Cl2 F6 N4 O4 -","2","1","","Mingxia Ma; Yuanyuan Zhu; Quantao Sun; Xiaoyuan Li; Jinhuan Su; Long Zhao; Yanyan Zhao; Shuai Qiu; Wenjin Yan; Kairong Wang; Rui Wang","The asymmetric synthesis of CF3-containing spiro[pyrrolidin-3,2'-oxindole] through the organocatalytic 1,3-dipolar cycloaddition reaction","Chem.Commun.","2015","51","","8789","","10.1039/C4cc10216A","","","0.7107","MoKα","","0.0594","0.0471","","","0.0958","0.109","","","","","","1.053","","","","has coordinates","136160","2020-10-21","18:00:00",""
"7117176","5.593","0.0001","8.107","0.0003","17.57","0.0005","90","","95.029","0.002","90","","793.6","0.04","293","1","293","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H11 F3 O S -","- C18 H11 F3 O S -","- C36 H22 F6 O2 S2 -","2","1","","Amparo Sanz-Marco; Gonzalo Blay; M. Carmen Munoz; Jose R. Pedro","Highly enantioselective copper(I)-catalyzed conjugate addition of 1,3-diynes to alpha,beta-unsaturated trifluoromethyl ketones","Chem.Commun.","2015","51","","8958","","10.1039/C5cc01676B","","","0.71073","MoKα","","0.0917","0.0689","","","0.1968","0.2313","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117209","10.912","0.002","8.3793","0.0017","11.228","0.002","90","","93.81","0.03","90","","1024.4","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O2 -","- C25 H21 Br N2 O2 -","- C50 H42 Br2 N4 O4 -","2","1","","Gao, Zhong-Hua; Chen, Xiang-Yu; Cheng, Jin-Tang; Liao, Wei-Lin; Ye, Song","N-Heterocyclic carbene-catalyzed [2+3] cyclocondensation of α-chloroaldehydes with azomethine imines","Chemical Communications (Cambridge, United Kingdom)","2015","51","45","9328","9331","10.1039/c5cc01238d","","","0.71073","MoKα","","0.0431","0.0388","","","0.0735","0.0754","","","","","","1.12","","","","has coordinates","211000","2020-10-21","18:00:00",""
"7117234","8.1413","0.0016","13.747","0.003","10.606","0.002","90","","108.05","0.03","90","","1128.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 Br N3 O -","- C27 H18 Br N3 O -","- C54 H36 Br2 N6 O2 -","2","1","","Tianyou Qin; Lu Cheng; Sean Xiao-An Zhang; Weiwei Liao","Stereoselective synthesis of organosulfur compounds incorporating N-aromatic heterocyclic motifs and quaternary carbon centers via a sulfa-Michael triggered tandem reaction","Chem.Commun.","2015","51","","9714","","10.1039/C5cc01875G","","","0.71073","MoKα","","0.1771","0.0668","","","0.1175","0.1519","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117278","9.921","0.003","16.32","0.004","11.549","0.003","90","","97.356","0.005","90","","1854.5","0.9","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H42 Cl2 N O6 P -","- C39 H42 Cl2 N O6 P -","- C78 H84 Cl4 N2 O12 P2 -","2","1","","Taichi Kano; Hiroki Maruyama; Ryu Sakamoto; Keiji Maruoka","Regioselectivity switch in chiral amine-catalysed asymmetric addition of aldehydes to reactive enals","Chem.Commun.","2015","51","","10062","","10.1039/C5cc02438B","","","1.54187","CuKα","","0.0629","0.0518","","","0.1233","0.1357","","","","","","1.059","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7117288","9.6751","0.0012","10.2214","0.0012","10.6522","0.0013","90","","96.993","0.002","90","","1045.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C56 H48 O4 -","2","1","","Meng Zhang; Xianpeng Yin; Tian Tian; Yun Liang; Weina Li; Yue Lan; Jian Li; Meimei Zhou; Yong Ju; Guangtao Li","AIE-induced fluorescent vesicles containing amphiphilic binding pockets and the FRET triggered by host-guest chemistry","Chem.Commun.","2015","51","","10210","","10.1039/C5cc02377G","","","0.71073","MoKα","","0.0498","0.0392","","","0.0891","0.0949","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117294","10.6347","0.0003","29.6678","0.0007","10.7567","0.0003","90","","105.968","0.001","90","","3262.88","0.15","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 B F4 P2 Rh -","- C33 H48 B F4 P2 Rh -","- C132 H192 B4 F16 P8 Rh4 -","4","2","","E. Louise Hazeland; Andy M. Chapman; Paul G. Pringle; Hazel A. Sparkes","A one-step, modular route to optically-active diphos ligands","Chem.Commun.","2015","51","","10206","","10.1039/C5cc03517A","","","0.71073","MoKα","","0.0234","0.0218","","","0.0494","0.0501","","","","","","1.041","","","","has coordinates","139045","2020-10-21","18:00:00",""
"7117318","12.8853","0.0018","12.9302","0.0018","25.069","0.004","90","","92.4338","0.0017","90","","4173","1.1","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65 H115 N2 O6 P5 Re6 S2 Se8 -","- C65 H115 N2 O6 P5 Re6 S2 Se8 -","- C130 H230 N4 O12 P10 Re12 S4 Se16 -","2","1","","Jessica L. Durham; Wade B. Wilson; Daniel N. Huh; Robert McDonald; Lisa F. Szczepura","Organometallic rhenium(III) chalcogenide clusters: coordination of N-heterocyclic carbenes","Chem.Commun.","2015","51","","10536","","10.1039/C5cc03215F","","","0.71073","MoKα","","0.06","0.0483","","","0.1345","0.1441","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117357","10.7238","0.0009","7.4576","0.0007","13.759","0.0011","90","","93.502","0.001","90","","1098.3","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Br N O4 -","- C24 H26 Br N O4 -","- C48 H52 Br2 N2 O8 -","2","1","","Shutao Sun; Ying Mao; Hongxiang Lou; Lei Liu","Copper(II)/amine synergistically catalyzed enantioselective alkylation of cyclic N-acyl hemiaminals with aldehydes","Chem.Commun.","2015","51","","10691","","10.1039/C5cc03314D","","","0.71073","MoKα","","0.1096","0.0574","","","0.1164","0.1297","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117379","9.8399","0.0006","7.9143","0.0005","10.7479","0.0008","90","","112.006","0.008","90","","776.02","0.1","200","","200","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S,S)-PhCOCH(COCH3)CH(Ph)CHCH2","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Naoya Kanbayashi; Kazuki Hosoda; Masanori Kato; Koichiro Takii; Taka-aki Okamura; Kiyotaka Onitsuka","Enantio- and diastereoselective asymmetric allylic alkylation catalyzed by a planar-chiral cyclopentadienyl ruthenium complex","Chem.Commun.","2015","51","","10895","","10.1039/C5cc02414E","","","1.54187","CuKα","","0.044","0.0378","","","0.0925","0.0965","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117384","9.2622","0.0007","18.511","0.0015","9.5911","0.0008","90","","112.413","0.002","90","","1520.2","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H21 Cl2 I N P2 Pd -","- C27 H21 Cl2 I N P2 Pd -","- C54 H42 Cl4 I2 N2 P4 Pd2 -","2","1","","Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu","Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction","Chem.Commun.","2015","51","","10871","","10.1039/C5cc03697F","","","0.71073","MoKα","","0.0767","0.0727","","","0.2157","0.2215","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117387","16.51","0.004","27.312","0.003","17.957","0.003","90","","96.33","0.03","90","","8048","3","200","0.1","200","","","","","","","","","4","P 1 21 1","P 2yb","4","(all-R)cyclohexylhemicucurbit[8]uril","","","- C134.75 H221 N32 O23.75 -","- C134.75 H221 N32 O23.75 -","- C269.5 H442 N64 O47.5 -","2","1","","E. Prigorchenko; M. Oeren; S. Kaabel; M. Fomitsenko; I. Reile; I. Jarving; T. Tamm; F. Topic; K. Rissanen; R. Aav","Template-controlled synthesis of chiral cyclohexylhemicucurbit[8]uril","Chem.Commun.","2015","51","","10921","","10.1039/C5cc04101E","","x-ray","1.54178","CuKα","","0.0684","0.0592","","","0.1575","0.1666","","","","","","1.024","","","","has coordinates","139858","2020-10-21","18:00:00",""
"7117401","9.5125","0.0013","13.887","0.002","14.68","0.002","90","","90.249","0.003","90","","1939.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 S -","- C18 H23 N O7 S -","- C72 H92 N4 O28 S4 -","4","2","","Shizhou Liu; Mengchao Tong; Yang Yu; Hexin Xie; Hao Li; Wei Wang","Construction of an all-carbon quaternary stereocenter by organocatalytic enantioselective alpha-functionalization of alpha-substituted beta-ketocarbonyls with electron deficient vinylarenes","Chem.Commun.","2015","51","","11221","","10.1039/C5cc03562G","","","0.71073","MoKα","","0.0523","0.0444","","","0.1167","0.1232","","","","","","1.031","","","","has coordinates,has disorder","139955","2020-10-21","18:00:00",""
"7117437","13.4732","0.0005","9.5123","0.0004","19.795","0.0008","90","","109.801","0.002","90","","2386.95","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C104 H88 Cl8 N16 O8 -","8","4","","Yadav, Abhimanyu; Verma, Ajay; Patel, Saket; Kumar, Amit; Rathore, Vandana; Meenakshi, ?; Kumar, Shailesh; Kumar, Sangit","KO(t)Bu-mediated annulation of acetonitrile with aldehyde: synthesis of substituted dihydropyridin-2(1H)-ones, pyridin-2(1H)-ones, and thiopyridin-2(1H)-ones.","Chemical communications (Cambridge, England)","2015","51","58","11658","11661","10.1039/c5cc02964c","","x-ray","0.71073","MoKα","","0.0734","0.0453","","","0.0813","0.0935","","","","","","0.793","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7117468","9.4805","0.0011","15.3417","0.0019","11.8162","0.0014","90","","111.93","0.002","90","","1594.3","0.3","293","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","lcy-Q-103","","- C35 H36 Br N3 O3 S -","- C35 H36 Br N3 O3 S -","- C70 H72 Br2 N6 O6 S2 -","2","1","","Chao-You Liu; Fu-She Han","Organocatalytic asymmetric reaction of indol-2-yl carbinols with enamides: synthesis of chiral 2-indole-substituted 1,1-diarylalkanes","Chem.Commun.","2015","51","","11844","","10.1039/C5cc03345D","","","0.71073","MoKα","","0.0557","0.045","","","0.1073","0.1363","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117516","10.913","0.003","16.97","0.004","17.246","0.004","90","","100.936","0.003","90","","3135.8","1.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H21 O3 P S -","- C42 H21 O3 P S -","- C168 H84 O12 P4 S4 -","4","2","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.065","0.0501","","","0.1017","0.1086","","","","","","1.032","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117529","17.678","0.004","9.856","0.0019","20.882","0.004","90","","103.673","0.003","90","","3535.3","1.3","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O4 S -","- C26 H24 Br N O4 S -","- C156 H144 Br6 N6 O24 S6 -","6","3","","Zhong-Hua Gao; Xiang-Yu Chen; Han-Ming Zhang; Song Ye","N-Heterocyclic carbene-catalyzed [3+3] cyclocondensation of bromoenals with aldimines: highly enantioselective synthesis of dihydropyridinones","Chem.Commun.","2015","51","","12040","","10.1039/C5cc04593B","","","0.71073","MoKα","","0.0795","0.0616","","","0.0964","0.1038","","","","","","1.113","","","","has coordinates","152087","2020-10-21","18:00:00",""
"7117564","9.96","0.002","8.9114","0.0018","12.427","0.003","90","","105.91","0.03","90","","1060.7","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl N4 O6 -","- C19 H21 Cl N4 O6 -","- C38 H42 Cl2 N8 O12 -","2","1","","Xie, Ming-Sheng; Wang, Yong; Li, Jian-Ping; Du, Cong; Zhang, Yan-Yan; Hao, Er-Jun; Zhang, Yi-Ming; Qu, Gui-Rong; Guo, Hai-Ming","A straightforward entry to chiral carbocyclic nucleoside analogues via the enantioselective [3+2] cycloaddition of α-nucleobase substituted acrylates.","Chemical communications (Cambridge, England)","2015","51","62","12451","12454","10.1039/c5cc04832j","","","0.71073","MoKα","","0.0488","0.0366","","","0.0829","0.0907","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117602","10.8","0.003","18.449","0.006","19.691","0.006","90","","96.23","0.009","90","","3900","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H48 B Cr Fe N3 O7 -","- C38 H48 B Cr Fe N3 O7 -","- C152 H192 B4 Cr4 Fe4 N12 O28 -","4","2","","Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine","Activation of boryl-, borylene and metalloborylene complexes by isonitriles.","Chemical communications (Cambridge, England)","2015","51","65","13032","13035","10.1039/c5cc04712a","","","0.71073","MoKα","","0.0238","0.0231","","","0.0606","0.061","","","","","","1.003","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7117638","9.2351","0.0007","5.3558","0.0004","12.9094","0.0009","90","","104.113","0.007","90","","619.24","0.08","293.42","0.1","293.42","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","","Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang","The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines","Chem.Commun.","2015","51","","13209","","10.1039/C5cc05066A","","x-ray","0.71","MoKα","","0.087","0.0591","","","0.127","0.147","","","","","","1.076","","","","has coordinates","153724","2020-10-21","18:00:00",""
"7117654","9.286","0.003","20.892","0.007","27.661","0.009","90","","98.639","0.006","90","","5305","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H76 N6 O9 -","- C49 H76 N6 O9 -","- C196 H304 N24 O36 -","4","2","","Mothukuri Ganesh Kumar; Sushil N. Benke; K. Muruga Poopathi Raja; Hosahudya N. Gopi","Engineering polypeptide folding through trans double bonds: transformation of miniature beta-meanders to hybrid helices","Chem.Commun.","2015","51","","13397","","10.1039/C5cc04523A","","","0.71073","MoKα","","0.2137","0.1417","","","0.3136","0.3355","","","","","","1.443","","","","has coordinates","153733","2020-10-21","18:00:00",""
"7117669","7.7718","0.0008","5.5207","0.0005","11.7443","0.0011","90","","91.969","0.002","90","","503.6","0.08","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Dipak Kumar Tiwari; Jaya Pogula; B. Sridhar; Dharmendra Kumar Tiwari; Pravin R. Likhar","Nano-copper catalysed highly regioselective synthesis of 2,4-disubstituted pyrroles from terminal alkynes and isocyanides","Chem.Commun.","2015","51","","13646","","10.1039/C5cc04166J","","","0.71073","MoKα","","0.0316","0.031","","","0.0846","0.0854","","","","","","1.081","","","","has coordinates","153767","2020-10-21","18:00:00",""
"7117670","5.3126","0.0008","9.6321","0.0013","18.149","0.003","90","","92.117","0.009","90","","928.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Bromo-2-(hydroxy-phenyl-methyl)-2H-quinoline-1-carboxylic acid ethyl ester","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C40 H40 Br2 N2 O6 -","2","1","","Francesco Berti; Federico Malossi; Fabio Marchetti; Mauro Pineschi","A highly enantioselective Mannich reaction of aldehydes with cyclic N-acyliminium ions by synergistic catalysis","Chem.Commun.","2015","51","","13694","","10.1039/C5cc04416B","","","0.71073","MoKα","","0.0458","0.0329","","","0.0718","0.0771","","","","","","0.969","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117676","10.6758","0.0014","9.3185","0.0008","25.405","0.003","90","","99.557","0.013","90","","2492.3","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 Br F3 O4 -","- C28 H22 Br F3 O4 -","- C112 H88 Br4 F12 O16 -","4","2","","Bjarke S. Donslund; Alicia Monleon; Jesper Larsen; Lise Ibsen; Karl Anker Jorgensen","The stereoselective formation of highly substituted CF3-dihydropyrans as versatile building blocks","Chem.Commun.","2015","51","","13666","","10.1039/C5cc04874E","","x-ray","0.71073","MoKα","","0.2437","0.1093","","","0.215","0.2913","","","","","","1.02","","","","has coordinates","153771","2020-10-21","18:00:00",""
"7117703","18.7521","0.0004","23.0271","0.0004","25.3314","0.0004","90","","89.8645","0.0019","90","","10938.2","0.3","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21 1","P 2yb","4","","S-2c","","- C94 H116 N8 O17 -","- C94 H116 N8 O17 -","- C376 H464 N32 O68 -","4","2","","Hanna Jedrzejewska; Marcin Kwit; Agnieszka Szumna","Switching of inherent chirality driven by self-assembly","Chem.Commun.","2015","51","","13799","","10.1039/C5cc05728K","","","1.54184","CuKα","","0.0991","0.0677","","","0.1667","0.1843","","","","","","0.907","","","","has coordinates,has disorder","153819","2020-10-21","18:00:00",""
"7117763","10.927","0.003","19.507","0.004","19.81","0.006","90","","105.742","0.008","90","","4064.2","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br2 O4 S -","- C21 H20 Br2 O4 S -","- C168 H160 Br16 O32 S8 -","8","4","","Nagamoto, Midori; Nishimura, Takahiro","Stereoselective hydroacylation of bicyclic alkenes with 2-hydroxybenzaldehydes catalyzed by hydroxoiridium/diene complexes.","Chemical communications (Cambridge, England)","2015","51","72","13791","13794","10.1039/c5cc05432j","","","1.54187","CuKα","","0.0367","0.0346","","","0.0881","0.0888","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117784","10.8234","0.0004","6.6783","0.0003","12.8182","0.0004","90","","108.899","0.001","90","","876.58","0.06","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","amino nitrile","(R)-N-Benzhydryl-α-p-tolylglycine nitrile","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","1","","Tsuneomi Kawasaki; Naoya Takamatsu; Shohei Aiba; Yuji Tokunaga","Spontaneous formation and amplification of an enantioenriched alpha-amino nitrile: a chiral precursor for Strecker amino acid synthesis","Chem.Commun.","2015","51","","14377","","10.1039/C5cc05848A","","","0.71075","MoKα","","","0.0372","","","","0.1155","","","","","","1.01","","","","has coordinates","156299","2020-10-21","18:00:00",""
"7117785","11.665","0.002","18.047","0.003","13.71","0.003","90","","106.488","0.005","90","","2767.5","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 F N O5 -","- C32 H30 F N O5 -","- C128 H120 F4 N4 O20 -","4","2","","Junjun Feng; Xin Li; Jin-Pei Cheng","An asymmetric allylic alkylation reaction of 3-alkylidene oxindoles","Chem.Commun.","2015","51","","14342","","10.1039/C5cc06182B","","","1.54187","CuKα","","0.0375","0.0357","","","0.102","0.1029","","","","","","1.083","","","","has coordinates","156300","2020-10-21","18:00:00",""
"7117798","8.2582","0.0002","6.2091","0.0002","17.8371","0.0005","90","","103.148","0.0014","90","","890.64","0.04","223","2","223.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 O -","- C25 H18 O -","- C50 H36 O2 -","2","1","","Beom Shin Cho; Young Keun Chung","Palladium-catalyzed bisarylation of 3-alkylbenzofurans to 3-arylalkyl-2-arylbenzofurans on water: tandem C(sp3)-H and C(sp2)-H activation reactions of 3-alkylbenzofurans","Chem.Commun.","2015","51","","14543","","10.1039/C5cc04052C","","","0.71073","MoKα","","0.0658","0.0405","","","0.0833","0.0958","","","","","","1.079","","","","has coordinates","158214","2020-10-21","18:00:00",""
"7117807","17.656","0.0011","16.2741","0.0018","26.219","0.003","90","","90.609","0.007","90","","7533.2","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H120 Cd8 N4 O54 -","- C152 H108 Cd8 N4 O54 -","- C304 H216 Cd16 N8 O108 -","2","1","","Yun-Hu Han; Yue-Cheng Liu; Xiu-Shuang Xing; Chong-Bin Tian; Ping Lin; Shao-Wu Du","Chiral template induced homochiral MOFs built from achiral components: SHG enhancement and enantioselective sensing of chiral alkamines by ion-exchange","Chem.Commun.","2015","51","","14481","","10.1039/C5cc05566K","","","0.71073","MoKα","","0.0922","0.0859","","","0.2385","0.2464","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117808","17.745","0.005","16.263","0.004","26.25","0.007","90","","90.775","0.004","90","","7575","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H120 Cd8 N4 O54 -","- C152 H108 Cd8 N4 O54 -","- C304 H216 Cd16 N8 O108 -","2","1","","Yun-Hu Han; Yue-Cheng Liu; Xiu-Shuang Xing; Chong-Bin Tian; Ping Lin; Shao-Wu Du","Chiral template induced homochiral MOFs built from achiral components: SHG enhancement and enantioselective sensing of chiral alkamines by ion-exchange","Chem.Commun.","2015","51","","14481","","10.1039/C5cc05566K","","","0.71073","MoKα","","0.0857","0.0712","","","0.2074","0.2339","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117817","10.8214","0.0008","13.3028","0.0006","11.7681","0.0009","90","","113.017","0.003","90","","1559.21","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H57 B O3 P3 Rh -","- C24 H57 B O3 P3 Rh -","- C48 H114 B2 O6 P6 Rh2 -","2","1","","Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein","Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex","Chem.Commun.","2015","51","","14613","","10.1039/C5cc05606C","","","0.71073","MoKα","","0.0225","0.0224","","","0.0611","0.0611","","","","","","1.051","","","","has coordinates","158225","2020-10-21","18:00:00",""
"7117821","9.7149","0.0005","5.7291","0.0003","15.133","0.0008","90","","91.157","0.003","90","","842.1","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C40 H34 Cl2 O8 -","2","1","","Qijian Ni; Jiawen Xiong; Xiaoxiao Song; Gerhard Raabe; Dieter Enders","NHC-catalyzed activation of alpha,beta-unsaturated N-acyltriazoles: an easy access to dihydropyranones","Chem.Commun.","2015","51","","14628","","10.1039/C5cc06044C","","","1.54178","CuKα","","0.032","0.03","","0.025","","0.025","","","0.989","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117832","9.2717","0.0002","5.6343","0.0001","15.8631","0.0003","90","","100.448","0.002","90","","814.94","0.03","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C36 H42 Br2 O6 -","2","1","","Pradeep R. Nareddy; Christoph Schneider","A highly enantioselective, organocatalytic [3+2]-cycloannulation reaction towards the de novo-synthesis of 1-cyclopentenyl-alpha-keto esters","Chem.Commun.","2015","51","","14797","","10.1039/C5cc05967D","","x-ray","0.71073","MoKα","","0.0424","0.0302","","","0.0618","0.0675","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117855","9.8877","0.0003","21.2513","0.0005","11.0106","0.0004","90","","107.696","0.003","90","","2204.14","0.12","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N4 O7 -","- C42 H48 N4 O7 -","- C84 H96 N8 O14 -","2","1","","Kunru Yu; Xiaohua Liu; Xiaobin Lin; Lili Lin; Xiaoming Feng","Organocatalytic dynamic kinetic resolution of azlactones to construct chiral N-acyl amino acid oxime esters","Chem.Commun.","2015","51","","14897","","10.1039/C5cc05534B","","x-ray","1.54184","CuKα","","0.0794","0.0672","","","0.1799","0.1955","","","","","","1.073","","","","has coordinates","158309","2020-10-21","18:00:00",""
"7117895","5.1724","0.0001","11.6911","0.0001","31.9993","0.0003","90","","91.346","0.001","90","","1934.5","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 S7 -","- C16 H16 N2 S7 -","- C64 H64 N8 S28 -","4","2","","Amacher, Anneliese M.; Puigmartí-Luis, Josep; Geng, Yan; Lebedev, Victor; Laukhin, Vladimir; Krämer, Karl; Hauser, Jürg; Amabilino, David B.; Decurtins, Silvio; Liu, Shi-Xia","Coordination-directed self-assembly of a simple benzothiadiazole-fused tetrathiafulvalene to low-bandgap metallogels.","Chemical communications (Cambridge, England)","2015","51","81","15063","15066","10.1039/c5cc06819c","","","0.71073","MoKα","","0.0648","0.0474","","","0.1011","0.1118","","","","","","1.023","","","","has coordinates,has disorder","160613","2020-10-21","18:00:00",""
"7117910","6.5966","","4.8723","","8.4922","","90","","111.92","","90","","253.212","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- As Cs F4 -","- As Cs F4 -","- As2 Cs2 F8 -","2","1","","Klampfer, P.; Benkic, P.; Lesar, A.; Volavsek, B.; Ponikvar, M.; Jesih, A.","New alkalimetal and tetramethylammonium tetrafluoroarsenates(III), their vibrational spectra and crystal structure of cesium tetrafluoroarsenate(III)","Collection of Czechoslovak Chemical Communication","2004","69","","339","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7117928","9.1382","0.0006","12.4474","0.0008","11.8729","0.0008","90","","96.852","0.002","90","","1340.86","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H38 Fe2 O5 P2 Si2 -","- C19 H38 Fe2 O5 P2 Si2 -","- C38 H76 Fe4 O10 P4 Si4 -","2","1","","Holger Braunschweig; Rian D. Dewhurst; Krzysztof Radacki; Benedikt Wennemann; Qing Ye","1,2-Halosilane vs. 1,2-alkylborane elimination from (boryl)(silyl) complexes of iron: switching between borylenes and silylenes just by changing the alkyl group","Chem.Commun.","2015","51","","15465","","10.1039/C5cc06425B","","","0.71073","MoKα","","0.0202","0.0191","","","0.0426","0.0429","","","","","","0.992","","","","has coordinates","165894","2020-10-21","18:00:00",""
"7117936","8.15","","16.723","","15.556","","90","","97.22","","90","","2103.35","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","N3 P3 Cl4 (Fe (C O)4)2","","- C8 Cl4 Fe2 N3 O8 P3 -","- C8 Cl4 Fe2 N3 O8 P3 -","- C32 Cl16 Fe8 N12 O32 P12 -","4","2","","Suszko, P.R.; Allcock, H.R.; Whittle, R.R.","Synthesis of a Di-iron-spirocyclotriphosphazene and a Tri-iron-cluster-cyclotriphosphazene","Journal of the Chemical Society. Chemical Communications (1972-)","1982","1982","","1344","1344","","","","","","","","","","","","","","","","","","","","","","has coordinates","167912","2020-10-21","18:00:00",""
"7117977","8.877","0.0003","13.3291","0.0004","14.6644","0.0004","90","","98.596","0.003","90","","1715.64","0.09","172.9","","172.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrahydropalmatinium Boron(bis-mandelate)","","- C37 H38 B N O10 -","- C37 H38 B N O10 -","- C74 H76 B2 N2 O20 -","2","1","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","x-ray","1.5418","CuKα","","0.0389","0.033","","","0.0741","0.0768","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117978","12.7917","0.0004","8.7742","0.0002","16.8769","0.0005","90","","103.527","0.003","90","","1841.67","0.09","173","0.14","173","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","1,2-Diaminopropanium Boron(bis-mandelate)","","- C36 H40 B2 N2 O13 -","- C36 H40 B2 N2 O13 -","- C72 H80 B4 N4 O26 -","2","1","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","x-ray","1.5418","CuKα","","0.0435","0.0425","","","0.1106","0.1119","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117993","9.3979","0.0017","16.24","0.003","13.49","0.002","90","","100.87","0.002","90","","2021.9","0.6","128","2","128","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 N2 P2 Si2 Zn -","- C42 H46 N2 P2 Si2 Zn -","- C84 H92 N4 P4 Si4 Zn2 -","2","1","","Genette I. McGrew; Pathik A. Khatri; William E. Geiger; Richard A. Kemp; Rory Waterman","Unexpected formal insertion of CO2 into the C-Si bonds of a zinc compound","Chem.Commun.","2015","51","","15804","","10.1039/C5cc06910F","","","0.71073","MoKα","","0.0366","0.0291","","","0.0565","0.058","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118020","9.2218","0.0002","27.5508","0.0006","24.8963","0.0005","90","","92.701","0.002","90","","6318.3","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H128 Cl4 N12 O12 -","- C116 H122 Cl4 N12 O12 -","- C232 H244 Cl8 N24 O24 -","2","1","","Zhao, Xiaohu; Liu, Xiaohua; Xiong, Qian; Mei, Hongjiang; Ma, Baiwei; Lin, Lili; Feng, Xiaoming","The asymmetric synthesis of polycyclic 3-spirooxindole alkaloids via the cascade reaction of 2-isocyanoethylindoles","Chemical Communications (Cambridge, United Kingdom)","2015","51","89","16076","16079","10.1039/c5cc06353a","","","0.71073","MoKα","","0.068","0.0565","","","0.1615","0.1706","","","","","","1.057","","","","has coordinates,has disorder","210893","2020-10-21","18:00:00",""
"7118106","5.9732","0.0009","7.2898","0.0011","11.9181","0.0019","90","","100.646","0.003","90","","510.02","0.14","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N S -","- C12 H13 N S -","- C24 H26 N2 S2 -","2","1","","Yu Jiang; Run Sun; Qiang Wang; Xiang-Ying Tang; Min Shi","Cyclization of sulfide, ether or tertiary amine-tethered N-sulfonyl-1,2,3-triazoles: a facile synthetic protocol for 3-substituted isoquinolines or dihydroisoquinolines","Chem.Commun.","2015","51","","16968","","10.1039/C5cc07511D","","","0.71073","MoKα","","0.042","0.0367","","","0.0874","0.0913","","","","","","1.075","","","","has coordinates","170694","2020-10-21","18:00:00",""
"7118109","9.9297","0.0003","9.6354","0.0003","10.6037","0.0003","90","","90.08","0.002","90","","1014.53","0.05","296","2","296.15","","","","","","","","Synthesized","3","P 1 21 1","P 2yb","4","","1,3,4,5-Tetraphenyl-1H-pyrazole","","- C27 H20 N2 -","- C27 H20 N2 -","- C54 H40 N4 -","2","1","","Sayani Mukherjee; P. S. Salini; A. Srinivasan; S Peruncheralathan","AIEE phenomenon: tetraaryl vs. triaryl pyrazoles","Chem.Commun.","2015","51","","17148","","10.1039/C5cc05973A","","","0.71073","MoKα","","0.0639","0.0442","","","0.0996","0.1081","","","","","","1.038","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7118110","9.7331","0.0003","9.7771","0.0003","10.5392","0.0003","90","","90.204","0.002","90","","1002.92","0.05","296","2","296.15","","","","","","","","Synthesized","3","P 1 21 1","P 2yb","4","","1-(2-Pyridyl)-3,4,5-triphenyl-1H-pyrazole","","- C26 H19 N3 -","- C26 H19 N3 -","- C52 H38 N6 -","2","1","","Sayani Mukherjee; P. S. Salini; A. Srinivasan; S Peruncheralathan","AIEE phenomenon: tetraaryl vs. triaryl pyrazoles","Chem.Commun.","2015","51","","17148","","10.1039/C5cc05973A","","","0.71073","MoKα","","0.069","0.0441","","","0.1049","0.1186","","","","","","1.037","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7118115","15.8905","0.0018","6.1745","0.0005","19.186","0.004","90","","104.581","0.016","90","","1821.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C84 H120 O18 -","6","3","","Gaoyuan Zhao; Min He; Huilin Li; Shuangshuang Duan; Ziyun Yuan; Xingang Xie; Xuegong She","Domino intramolecular Diels-Alder reactions to construct a 6/6/5/5 fused tetracyclic framework","Chem.Commun.","2015","51","","17321","","10.1039/C5cc06923H","","","0.7107","MoKα","","0.1558","0.0739","","","0.1263","0.1775","","","","","","1.036","","","","has coordinates","170726","2020-10-21","18:00:00",""
"7118126","11.8894","0.0004","5.2299","0.0002","17.4663","0.0005","90","","97.279","0.002","90","","1077.31","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-705 as-synthesized","","","- C17 H18 N2 Na4 O12 -","- C17 H18 N2 Na4 O12 -","- C34 H36 N4 Na8 O24 -","2","1","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","1.54178","CuKα","","0.0504","0.0415","","","0.0926","0.0965","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118127","24.0448","0.0019","5.2432","0.0005","16.9833","0.0014","90","","103.366","0.006","90","","2083.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-705 after supercritical CO2","","","- C16.54 H16.85 N2 Na4 O12.85 -","- C16.5416 H16.848 N2 Na4 O12.857 -","- C66.1666 H67.392 N8 Na16 O51.428 -","4","2","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","0.7749","synchrotron","","0.1066","0.0684","","","0.1638","0.1878","","","","","","1.009","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7118128","12.079","0.0015","5.2419","0.0006","21.254","0.003","90","","103.886","0.006","90","","1306.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-706 as-synthesized","","","- C22.5 H20.5 N2 Na4 O13 -","- C22.5 H20.5 N2 Na4 O13 -","- C45 H41 N4 Na8 O26 -","2","1","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","0.8856","synchrotron","","0.0977","0.0721","","","0.1879","0.2093","","","","","","1.07","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118129","11.9807","0.0016","5.2345","0.0006","21.796","0.003","90","","99.274","0.01","90","","1349","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-706 after supercritical CO2","","","- C22.25 H19.25 N2 Na4 O11.5 -","- C22.25 H19.25 N2 Na4 O11.5 -","- C44.5 H38.5 N4 Na8 O23 -","2","1","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","1.0333","synchrotron","","0.1392","0.1176","","","0.297","0.3174","","","","","","1.273","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118162","5.1412","0.0004","26.4969","0.0019","9.2776","0.0007","90","","105.207","0.002","90","","1219.59","0.16","120","2","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","2","","Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed","Gelation by supramolecular dimerization of mono(urea)s","Chem.Commun.","2016","52","","198","","10.1039/c5cc06995E","","","0.71073","MoKα","","0.0635","0.0431","","","0.096","0.1046","","","","","","1.027","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118230","13.0622","0.0004","8.2259","0.0002","13.1485","0.0004","90","","106.33","0.001","90","","1355.79","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H18 Br Cl4 N2 O4 -","- C26 H18 Br Cl4 N2 O4 -","- C52 H36 Br2 Cl8 N4 O8 -","2","1","","Cao, Zhong-Yan; Zhao, Yu-Lei; Zhou, Jian","Sequential Au(i)/chiral tertiary amine catalysis: a tandem C-H functionalization of anisoles or a thiophene/asymmetric Michael addition sequence to quaternary oxindoles.","Chemical communications (Cambridge, England)","2016","52","12","2537","2540","10.1039/c5cc10096h","","","0.71073","MoKα","","0.0305","0.0272","","","0.0639","0.0649","","","","","","1.053","","","","has coordinates","175877","2020-10-21","18:00:00",""
"7118277","15.517","0.003","9.825","0.002","21.953","0.004","90","","90.05","0.03","90","","3346.8","1.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C90 H187 O100 -","- C90 H187 O100 -","- C90 H187 O100 -","1","0.5","","Rutenberg, R.; Leitus, G.; Fallik, E.; Poverenov, E.","Discovery of a non classic host guest complexation mode in a β-cyclodextrin/propionic acid model.","Chemical communications (Cambridge, England)","2016","52","12","2565","2568","10.1039/c5cc09676f","","","0.71073","MoKα","","0.0729","0.0669","","","0.1716","0.1768","","","","","","1.052","","","","has coordinates,has disorder","175875","2020-10-21","18:00:00",""
"7118278","5.552","0.003","17.133","0.008","13.413","0.006","90","","93.446","0.007","90","","1273.6","1.1","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 F N2 O3 S -","- C30 H25 F N2 O3 S -","- C60 H50 F2 N4 O6 S2 -","2","1","","Sun, Xiao-Xue; Zhang, Hong-Hao; Li, Guo-Hao; Meng, Li; Shi, Feng","Diastereo- and enantioselective construction of an indole-based 2,3-dihydrobenzofuran scaffold via catalytic asymmetric [3+2] cyclizations of quinone monoimides with 3-vinylindoles.","Chemical communications (Cambridge, England)","2016","52","14","2968","2971","10.1039/c5cc09145d","","","0.71073","MoKα","","0.1099","0.0785","","","0.2076","0.2371","","","","","","1.067","","","","has coordinates","177697","2020-10-21","18:00:00",""
"7118305","10.3568","0.0008","19.5721","0.0015","10.5278","0.0011","90","","119.424","0.001","90","","1858.8","0.3","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H47 B N6 O2 S3 Zn -","- C34 H47 B N6 O2 S3 Zn -","- C68 H94 B2 N12 O4 S6 Zn2 -","2","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0694","0.0467","","","0.0785","0.0858","","","","","","1.007","","","","has coordinates","175884","2020-10-21","18:00:00",""
"7118311","16.314","0.0013","15.3614","0.0006","18.1903","0.0008","90","","92.867","0.007","90","","4552.9","0.5","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H162 Br Cr Mo6 N5 O26 -","- C68 H157.818 Br Cr Mo6 N5 O25.409 -","- C136 H315.636 Br2 Cr2 Mo12 N10 O50.818 -","2","1","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0465","0.0359","","","0.0861","0.0933","","","","","","1.03","","","","has coordinates,has disorder","175885","2020-10-21","18:00:00",""
"7118314","23.7911","0.0005","15.3677","0.0004","28.4337","0.0007","90","","96.193","0.002","90","","10335.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H177 Br3 Cr Mo6 N6 O32.5 -","- C68 H170.5 Br3 Cr Mo6 N6 O32.5 -","- C272 H682 Br12 Cr4 Mo24 N24 O130 -","4","2","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0814","0.0472","","","0.1047","0.123","","","","","","1.019","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118315","24.0231","0.0005","15.1457","0.0004","28.6632","0.0007","90","","95.967","0.002","90","","10372.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H176 Br3 Cr Mo6 N6 O31 -","- C69 H170 Br3 Cr Mo6 N6 O31 -","- C276 H680 Br12 Cr4 Mo24 N24 O124 -","4","2","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0628","0.0455","","","0.0927","0.1087","","","","","","1.018","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118316","16.5248","0.0013","15.1876","0.0006","18.3785","0.0008","90","","93.071","0.007","90","","4605.9","0.5","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H161 Br Cr Mo6 N4 O28 -","- C67 H158 Br Cr Mo6 N4 O27 -","- C134 H316 Br2 Cr2 Mo12 N8 O54 -","2","1","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0575","0.0465","","","0.0968","0.1046","","","","","","1.034","","","","has coordinates,has disorder","175885","2020-10-21","18:00:00",""
"7118340","10.6073","0.0004","9.8229","0.0004","14.4413","0.0006","90","","107.283","0.002","90","","1436.76","0.1","296","2","296","2","","","","","","","Synthezied","5","P 1 21 1","P 2yb","4","spirooxindole dihydropyranone","tert-butyl (S)-(2-(1-benzyl-5-bromo-4'-methyl-2,6'-dioxo-3',6'-dihydrospiro[indoline-3,2'-pyran]-5'-yl)phenyl)carbamate","","- C31 H29 Br N2 O5 -","- C31 H29 Br N2 O5 -","- C62 H58 Br2 N4 O10 -","2","1","","Han, Jeng-Liang; Chang, Chia-Hao","An asymmetric assembly of spirooxindole dihydropyranones through a direct enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with isatins.","Chemical communications (Cambridge, England)","2016","52","11","2322","2325","10.1039/c5cc08883f","","","0.71073","MoKα","","0.049","0.0358","","","0.0903","0.0956","","","","","","1.049","","","","has coordinates","175889","2020-10-21","18:00:00",""
"7118347","9.223","0.0001","7.1694","0.0001","13.3259","0.0001","90","","92.731","0.001","90","","880.153","0.017","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","dimethyl (3S,5S)-3-(2,6-dimethoxyphenyl)-5-methylpyrrolidine- 2,2-dicarboxylate","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C34 H46 N2 O12 -","2","1","","Riaño, Iker; Díaz, Estibaliz; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic enantio- and diastereoselective synthesis of 3,5-disubstituted prolines.","Chemical communications (Cambridge, England)","2016","52","11","2330","2333","10.1039/c5cc09329e","","x-ray","1.54184","CuKα","","0.0297","0.0293","","","0.0769","0.0775","","","","","","1.033","","","","has coordinates","175891","2020-10-21","18:00:00",""
"7118349","12.959","0.0002","7.94026","0.00011","14.0403","0.0002","90","","116.595","0.002","90","","1291.86","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-5,7-dimethoxy-2,2,4-trimethyl-4-(1-tosyl-1H-indol-3-yl)-1,2,3,4-tetrahydroquinoline","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C58 H64 N4 O8 S2 -","2","1","","Li, Guangxun; Liu, Hongxin; Wang, Yingwei; Zhang, Shiqi; Lai, Shujun; Tang, Ling; Zhao, Jinzhong; Tang, Zhuo","The catalytic enantioselective synthesis of tetrahydroquinolines containing all-carbon quaternary stereocenters via the formation of aza-ortho-xylylene with 1,2-dihydroquinoline as a precursor.","Chemical communications (Cambridge, England)","2016","52","11","2304","2306","10.1039/c5cc07752d","","","1.54184","CuKα","","0.0311","0.0309","","","0.0799","0.0802","","","","","","1.03","","","","has coordinates","175892","2020-10-21","18:00:00",""
"7118405","7.7787","0.0001","22.469","0.0004","9.7911","0.0002","90","","104.593","0.0014","90","","1656.08","0.05","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H39 Cl3 N2 O3 Ru S -","- C33 H39 Cl3 N2 O3 Ru S -","- C66 H78 Cl6 N4 O6 Ru2 S2 -","2","1","","B. Vilhanova; J. Vaclavik; P. Sot; J. Pechacek; J. Zapal; R. Pazout; J. Maixner; M. Kuzmac; P. Kacer","Enantioselective hydrogenation of cyclic imines catalysed by Noyori-Ikariya half-sandwich complexes and their analogues","Chem.Commun.","2016","52","","362","","","","x-ray","1.5418","CuKα","","0.0297","0.0291","","","0.0404","0.0405","","","","2.65","2.65","2.64","","","","has coordinates","174379","2020-10-21","18:00:00",""
"7118411","9.7675","0.0009","7.1607","0.0006","15.8901","0.0019","90","","107.9","","90","","1057.59","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Eu N3 O10 -","- C19 H18 Eu N3 O10 -","- C38 H36 Eu2 N6 O20 -","2","1","","Hai-Yang Li; Hong Xu; Shuang-Quan Zang; Thomas C. W. Mak","A viologen-functionalized chiral Eu-MOF as a platform for multifunctional switchable material","Chem.Commun.","2016","52","","525","","10.1039/C5CC08168H","","","0.71073","MoKα","","0.0489","0.0416","","","0.1043","0.1102","","","","","","1.009","","","","has coordinates","192153","2020-10-21","18:00:00",""
"7118447","9.6985","0.0003","6.50545","0.00016","17.186","0.0005","90","","94.266","0.002","90","","1081.31","0.05","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 S -","- C9 H15 N O2 S -","- C36 H60 N4 O8 S4 -","4","2","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","x-ray","0.71073","MoKα","","0.047","0.0415","","","0.1003","0.1047","","","","","","1.072","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118455","7.982","0.0012","5.766","0.002","13.788","0.002","90","","100.341","0.002","90","","624.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne ""click"" reaction and promising oxidation of ethylbenzene","Chemical Communications (Cambridge, United Kingdom)","2016","52","7","1373","1376","10.1039/c5cc08456c","","","0.71069","MoKα","","0.0705","0.0512","","","0.1112","0.1308","","","","","","1.046","","","","has coordinates","209776","2020-10-21","18:00:00",""
"7118517","5.498","0.005","9.083","0.008","16.538","0.015","90","","92.524","0.01","90","","825.1","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 F2 N O -","- C21 H15 F2 N O -","- C42 H30 F4 N2 O2 -","2","1","","Wan, Wen; Ma, Guobin; Li, Jialiang; Chen, Yunrong; Hu, Qingyang; Li, Minjie; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","Silver-catalyzed oxidative decarboxylation of difluoroacetates: efficient access to C-CF2 bond formation.","Chemical communications (Cambridge, England)","2016","52","8","1598","1601","10.1039/c5cc09179a","","","0.71073","MoKα","","0.0354","0.0311","","","0.0536","0.0549","","","","","","1.603","","","","has coordinates","174644","2020-10-21","18:00:00",""
"7118521","13.192","0.008","24.045","","13.298","","90","","93.46","0.02","90","","4210","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H95 B3 Ge2 N4 O5 -","- C67 H95 B3 Ge2 N4 O5 -","- C134 H190 B6 Ge4 N8 O10 -","2","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Zhu, Jun; Zhao, Yufen","Synthesis of digermylene-stabilized linear tetraboronate and boroxine.","Chemical communications (Cambridge, England)","2016","52","8","1582","1585","10.1039/c5cc09330a","","","0.71073","MoKα","","0.1269","0.0793","","","0.1881","0.2176","","","","","","0.921","","","","has coordinates","174646","2020-10-21","18:00:00",""
"7118560","7.9612","0.0001","24.5627","0.0004","16.5897","0.0003","90","","90.823","0.001","90","","3243.76","0.09","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N4 O8 -","- C36 H34 N4 O8 -","- C144 H136 N16 O32 -","4","2","","Wang, Yue-Ming; Zhang, Hong-Hao; Li, Can; Fan, Tao; Shi, Feng","Catalytic asymmetric chemoselective 1,3-dipolar cycloadditions of an azomethine ylide with isatin-derived imines: diastereo- and enantioselective construction of a spiro[imidazolidine-2,3'-oxindole] framework.","Chemical communications (Cambridge, England)","2016","52","9","1804","1807","10.1039/c5cc07924a","","","1.54178","CuKα","","0.0567","0.0478","","","0.1173","0.1245","","","","","","1.022","","","","has coordinates","174800","2020-10-21","18:00:00",""
"7118561","9.9607","0.001","7.291","0.0008","18.5284","0.0019","90","","95.286","0.002","90","","1339.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,5S,8R,9S,10S,13R,14R,16R,17R)-16-hydroxy-10,17-dimethyl-17-((S)-1-((2R,5R)-5-methyl-6-oxotetrahydro-2H-pyran-2-yl)ethyl)tetradecahydro-15H-13,14-epoxycyclopenta[a]phenanthren-3-yl acetate","","- C29 H44 O6 -","- C29 H44 O6 -","- C58 H88 O12 -","2","1","","Wu, Jing-Jing; Shi, Yong; Tian, Wei-Sheng","Synthesis of the aglycon of aspafiliosides E and F based on cascade reactions.","Chemical communications (Cambridge, England)","2016","52","9","1942","1944","10.1039/c5cc08856a","","","0.71073","MoKα","","0.0638","0.0583","","","0.1516","0.1574","","","","","","1.035","","","","has coordinates,has disorder","174801","2020-10-21","18:00:00",""
"7118656","6.1638","0.0003","14.6526","0.0007","9.1812","0.0004","90","","102.564","0.003","90","","809.35","0.07","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3a-methylacrylate","","- C16 H17 N O7 S -","- C16 H17 N O7 S -","- C32 H34 N2 O14 S2 -","2","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.046","0.0401","","","0.1037","0.1079","","","","","","1.038","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118658","20.6101","0.0006","7.2054","0.0003","35.408","0.001","90","","105.513","0.002","90","","5066.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Co-VD form B","vitamin D2 and D3","","- C55 H88 O2 -","- C55 H88 O2 -","- C220 H352 O8 -","4","2","","Wang, Jian-Rong; Yu, Qihui; Dai, Wenjuan; Mei, Xuefeng","Drug-drug co-crystallization presents a new opportunity for the development of stable vitamins.","Chemical communications (Cambridge, England)","2016","52","17","3572","3575","10.1039/c5cc10297a","","","0.71073","MoKα","","0.157","0.097","","","0.2307","0.2583","","","","","","1.19","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7118693","10.3517","0.0008","17.5995","0.0015","13.2555","0.0011","90","","103.504","0.002","90","","2348.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O4 S -","- C22 H23 Br N2 O4 S -","- C88 H92 Br4 N8 O16 S4 -","4","2","","Cheng, Ping; Guo, Wengang; Chen, Ping; Liu, Yan; Du, Xin; Li, Can","The enantioselective construction of chiral spirooxindole-based 4-thiazolidinone via asymmetric catalytic formal [3+2] annulation using a bifunctional catalyst.","Chemical communications (Cambridge, England)","2016","52","16","3418","3421","10.1039/c5cc10292h","","","0.71073","MoKα","","0.1506","0.0613","","","0.1187","0.1528","","","","","","0.947","","","","has coordinates,has disorder","177673","2020-10-21","18:00:00",""
"7118722","8.6259","0.0006","11.8633","0.0008","16.6506","0.0012","90","","100.785","0.008","90","","1673.8","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H43 Cl Cu F6 N3 P -","- C33 H43 Cl Cu F6 N3 P -","- C66 H86 Cl2 Cu2 F12 N6 P2 -","2","1","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71075","MoKα","","0.0698","0.0657","","","0.1802","0.186","","","","","","1.025","","","","has coordinates","181530","2020-10-21","18:00:00",""
"7118723","8.8683","0.0007","12.1402","0.0009","16.1427","0.0013","90","","100.426","0.008","90","","1709.3","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H43 Cu F6 N3 O P -","- C34 H43 Cu F6 N3 O P -","- C68 H86 Cu2 F12 N6 O2 P2 -","2","1","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71075","MoKα","","0.051","0.0445","","","0.1245","0.1413","","","","","","0.986","","","","has coordinates","181530","2020-10-21","18:00:00",""
"7118747","6.2235","0.0004","9.799","0.0006","9.2211","0.0006","90","","97.094","0.002","90","","558.04","0.06","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 Br O2 -","- C10 H17 Br O2 -","- C20 H34 Br2 O4 -","2","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.0553","0.0531","","","0.1427","0.1465","","","","","","1.063","","","","has coordinates","181527","2020-10-21","18:00:00",""
"7118756","12.6407","0.0002","15.8596","0.0002","12.6429","0.0002","90","","102.853","0.002","90","","2471.1","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H42 N24 O21.5 -","- C42 H42 N24 O21.33 -","- C84 H84 N48 O42.66 -","2","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","1.54184","CuKα","","0.0526","0.0517","","","0.1438","0.1449","","","","","","1.008","","","","has coordinates,has disorder","181523","2020-10-21","18:00:00",""
"7118757","9.5705","0.0003","20.6075","0.0007","15.8172","0.0004","90","","90.295","0.003","90","","3119.49","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","Diarylmethine-substituted Oxindole 3ab","","- C38 H41 N O2 -","- C38 H41 N O2 -","- C152 H164 N4 O8 -","4","2","","Deng, Yu-Hua; Zhang, Xiang-Zhi; Yu, Ke-Yin; Yan, Xu; Du, Ji-Yuan; Huang, Hanmin; Fan, Chun-An","Bifunctional tertiary amine-squaramide catalyzed asymmetric catalytic 1,6-conjugate addition/aromatization of para-quinone methides with oxindoles.","Chemical communications (Cambridge, England)","2016","52","22","4183","4186","10.1039/c5cc10502a","","x-ray","1.54184","CuKα","","0.0374","0.0355","","","0.0895","0.0905","","","","","","1.059","","","","has coordinates","181528","2020-10-21","18:00:00",""
"7118766","11.5615","0.0003","10.114","0.0003","12.3397","0.0003","90","","100.223","0.003","90","","1420.01","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H47 N3 O6 -","- C28 H47 N3 O6 -","- C56 H94 N6 O12 -","2","1","","Zalewski, A. N.; Nathanael, J. G.; White, J. M.; Wille, U.","Oxidation of cholesterol and O-protected derivatives by the environmental pollutant NO2˙.","Chemical communications (Cambridge, England)","2016","52","21","4060","4063","10.1039/c5cc09663d","","x-ray","0.71073","MoKα","","0.0642","0.049","","","0.1259","0.1379","","","","","","1.061","","","","has coordinates","177687","2020-10-21","18:00:00",""
"7118768","8.4079","0.0004","12.0255","0.0006","23.7756","0.0012","90","","90.682","0.003","90","","2403.8","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H23 Cl N O2 P Pd -","- C28 H23 Cl N O2 P Pd -","- C112 H92 Cl4 N4 O8 P4 Pd4 -","4","2","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","The synthesis and efficient one-pot catalytic ""self-breeding"" of asymmetrical NC(sp(3))E-hybridised pincer complexes.","Chemical communications (Cambridge, England)","2016","52","22","4211","4214","10.1039/c6cc00763e","","","0.71073","MoKα","","0.0661","0.0582","","","0.1223","0.1257","","","","","","1.074","","","","has coordinates","181526","2020-10-21","18:00:00",""
"7118770","11.149","0.001","17.2409","0.0015","11.1991","0.001","90","","116.772","0.004","90","","1921.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","GA104","","- C37 H64 N5 O6 -","- C37 H63 N5 O6 -","- C74 H126 N10 O12 -","2","1","","Angelici, G.; Bhattacharjee, N.; Roy, O.; Faure, S.; Didierjean, C.; Jouffret, L.; Jolibois, F.; Perrin, L.; Taillefumier, C.","Weak backbone CHO[double bond, length as m-dash]C and side chain tButBu London interactions help promote helix folding of achiral NtBu peptoids.","Chemical communications (Cambridge, England)","2016","52","24","4573","4576","10.1039/c6cc00375c","","","0.71073","MoKα","","0.0532","0.0461","","","0.123","0.1291","","","","","","1.057","","","","has coordinates","181550","2020-10-21","18:00:00",""
"7118777","6.582","0.004","10.854","0.006","15.521","0.008","90","","94.787","0.005","90","","1105","1.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O7 -","- C22 H34 N2 O7 -","- C44 H68 N4 O14 -","2","1","","Wang, Siyuan; Taniguchi, Tohru; Monde, Kenji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko","Hydrogen bonding to carbonyl oxygen of nitrogen-pyramidalized amide - detection of pyramidalization direction preference by vibrational circular dichroism spectroscopy.","Chemical communications (Cambridge, England)","2016","52","21","4018","4021","10.1039/c6cc00284f","","","0.71073","MoKα","","0.0297","0.0267","","","0.0715","0.0811","","","","","","1.154","","","","has coordinates","177681","2020-10-21","18:00:00",""
"7118843","14.1965","0.0004","21.9607","0.0007","16.3804","0.0005","90","","111.904","0.0015","90","","4738.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C86 H132 N16 O16 -","- C86 H132 N16 O16 -","- C172 H264 N32 O32 -","2","1","","Bandyopadhyay, Anupam; Misra, Rajkumar; Gopi, Hosahudya N.","Structural features and molecular aggregations of designed triple-stranded β-sheets in single crystals.","Chemical communications (Cambridge, England)","2016","52","27","4938","4941","10.1039/c6cc00127k","","","1.54178","CuKα","","0.0919","0.0719","","","0.1932","0.2196","","","","","","0.824","","","","has coordinates","181555","2020-10-21","18:00:00",""
"7118874","13.5677","0.001","13.0684","0.0009","20.6626","0.0016","90","","105.603","0.001","90","","3528.6","0.4","113","2","113","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Ir-SBAP-Me","","- C76 H66 B F24 Ir N O P -","- C76 H66 B F24 Ir N O P -","- C152 H132 B2 F48 Ir2 N2 O2 P2 -","2","1","","Yu, Yan-Bo; Cheng, Lei; Li, Yi-Pan; Fu, Yue; Zhu, Shou-Fei; Zhou, Qi-Lin","Enantioselective iridium-catalyzed hydrogenation of β,β-disubstituted nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","26","4812","4815","10.1039/c6cc01273f","","","0.71073","MoKα","","0.017","0.0151","","","0.0312","0.0314","","","","","","0.705","","","","has coordinates,has disorder","181539","2020-10-21","18:00:00",""
"7118927","13.598","0.0008","5.7831","0.0003","14.8716","0.0008","90","","111.469","0.002","90","","1088.34","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C46 H50 N2 O6 S2 -","2","1","","Huang, Hai; Tang, Luning; Liu, Qi; Xi, Yang; He, Guangke; Zhu, Hongjun","Formation of α-chalcogenyl acrylamides through unprecedented chalcogen-mediated metal-free oxyfunctionalization of ynamides with DMSO as an oxidant.","Chemical communications (Cambridge, England)","2016","52","32","5605","5608","10.1039/c5cc10517j","","","0.71073","MoKα","","0.0489","0.0429","","","0.1192","0.1234","","","","","","1.053","","","","has coordinates","182612","2020-10-21","18:00:00",""
"7118944","9.0535","0.0002","7.4148","0.0002","10.4203","0.0003","90","","104.406","0.001","90","","677.52","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","1","","Laugeois, Maxime; Ponra, Sudipta; Ratovelomanana-Vidal, Virginie; Michelet, Véronique; Vitale, Maxime R.","Asymmetric preparation of polysubstituted cyclopentanes by synergistic Pd(0)/amine catalyzed formal [3+2] cycloadditions of vinyl cyclopropanes with enals.","Chemical communications (Cambridge, England)","2016","52","30","5332","5335","10.1039/c6cc01775d","","","1.54178","CuKα","","0.0255","0.0253","","","0.0644","0.0646","","","","","","1.138","","","","has coordinates","182595","2020-10-21","18:00:00",""
"7118945","6.9841","0.0007","12.5978","0.0013","15.735","0.0016","90","","97.885","0.006","90","","1371.3","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,5R,6R,8S)-2-imino-8-phenyl-6-vinyl-3-oxabicyclo[3.2.1]octane-1-carbonitrile","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","2","","Laugeois, Maxime; Ponra, Sudipta; Ratovelomanana-Vidal, Virginie; Michelet, Véronique; Vitale, Maxime R.","Asymmetric preparation of polysubstituted cyclopentanes by synergistic Pd(0)/amine catalyzed formal [3+2] cycloadditions of vinyl cyclopropanes with enals.","Chemical communications (Cambridge, England)","2016","52","30","5332","5335","10.1039/c6cc01775d","","","1.54178","CuKα","","0.0998","0.0772","","","0.2313","0.2498","","","","","","1.091","","","","has coordinates","182595","2020-10-21","18:00:00",""
"7118970","13.5064","0.0008","5.8689","0.0004","17.8643","0.0015","90","","102.617","0.007","90","","1381.87","0.17","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 O4 S -","- C30 H39 O4 S -","- C60 H78 O8 S2 -","2","1","","Congde Huo; Yajun Wang; Yong Yuan; Fengjuan Chen; Jing Tang","Auto-oxidative hydroxysulfenylation of alkenes","Chem.Commun.","2016","52","","7233","","","","x-ray","1.54184","CuKα","","0.1102","0.0628","","","0.1419","0.1783","","","","","","0.996","","","","has coordinates,has disorder","183170","2020-10-21","18:00:00",""
"7119004","10.064","0.003","8.502","0.002","13.718","0.004","90","","100.284","0.007","90","","1154.9","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Br N3 O3 -","- C25 H28 Br N3 O3 -","- C50 H56 Br2 N6 O6 -","2","1","","Jakob Blom; Tore Kiilerich Johansen; Frank Jensen; Karl Anker Jorgensen","Dynamic resolution of 2-cyclohexylidene acetaldehydes through organocatalytic dienamine [4+2] cycloaddition","Chem.Commun.","2016","52","","7153","","","","","0.56086","AgKα","","0.0463","0.0374","","","0.0958","0.1016","","","","","","1.003","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7119005","12.983","0.003","10.976","0.003","16.961","0.004","90","","99.955","0.008","90","","2380.6","1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N3 O4 -","- C30 H27 N3 O4 -","- C120 H108 N12 O16 -","4","2","","Jakob Blom; Tore Kiilerich Johansen; Frank Jensen; Karl Anker Jorgensen","Dynamic resolution of 2-cyclohexylidene acetaldehydes through organocatalytic dienamine [4+2] cycloaddition","Chem.Commun.","2016","52","","7153","","","","x-ray","0.56086","AgKα","","0.0545","0.0416","","","0.092","0.1","","","","","","1.0081","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7119010","11.479","0.004","8.356","0.003","12.079","0.004","90","","104.039","0.005","90","","1124","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(M)-Co(SO4)(1,3-bbix)(H2O)3","","- C22 H24 Co N4 O7 S -","- C22 H24 Co N4 O7 S -","- C44 H48 Co2 N8 O14 S2 -","2","1","","Jian-Shen Feng; Min Ren; Zhong-Sheng Cai; Kun Fan; Song-Song Bao; Li-Min Zheng","Enantiopure phosphonic acids as chiral inducers: homochiral crystallization of cobalt coordination polymers showing field-induced slow magnetization relaxation","Chem.Commun.","2016","52","","6877","","","","","0.71073","MoKα","","0.111","0.0976","","","0.2295","0.2384","","","","","","1.002","","","","has coordinates","183258","2020-10-21","18:00:00",""
"7119011","11.495","0.004","8.412","0.003","12.098","0.004","90","","103.45","0.005","90","","1137.7","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(P)-Co(SO4)(1,3-bbix)(H2O)3","","- C22 H24 Co N4 O7 S -","- C22 H24 Co N4 O7 S -","- C44 H48 Co2 N8 O14 S2 -","2","1","","Jian-Shen Feng; Min Ren; Zhong-Sheng Cai; Kun Fan; Song-Song Bao; Li-Min Zheng","Enantiopure phosphonic acids as chiral inducers: homochiral crystallization of cobalt coordination polymers showing field-induced slow magnetization relaxation","Chem.Commun.","2016","52","","6877","","","","","0.71073","MoKα","","0.0723","0.0562","","","0.1264","0.1358","","","","","","1","","","","has coordinates","183258","2020-10-21","18:00:00",""
"7119045","8.33","0.0017","12.431","0.003","9.528","0.0019","90","","93.09","0.03","90","","985.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 N O4 S -","- C23 H17 N O4 S -","- C46 H34 N2 O8 S2 -","2","1","","Zhuang Song; Yizhou Wu; Tao Xin; Chao Jin; Xiaoan Wen; Hongbin Sun; Qing-Long Xu","The Rh(II)-catalyzed formal N-S bond insertion reaction of aryldiazoacetates into N-phenyl-sulfenyl phthalimide","Chem.Commun.","2016","52","","6079","","","","","0.71073","MoKα","","0.1107","0.0707","","","0.1655","0.1891","","","","","","1.011","","","","has coordinates","183988","2020-10-21","18:00:00",""
"7119059","11.6454","0.0007","12.5993","0.0006","21.7275","0.0014","90","","104.608","0.002","90","","3084.9","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21 1","P 2yb","4","","","","- C30 H27.5 F6 N2.5 O6 S2 -","- C30 H27.5 F6 N2.5 O6 S2 -","- C120 H110 F24 N10 O24 S8 -","4","2","","Jaroslav Sebestik; Filip Teply; Ivana Cisarova; Jan Vavra; Dusan Koval; Petr Bour","Intense chirality induction in nitrile solvents by a helquat dye monitored by near resonance Raman scattering","Chem.Commun.","2016","52","","6257","","","","","0.71073","MoKα","","0.051","0.0401","","","0.1025","0.1102","","","","","","1.018","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7119087","18.5114","0.0007","21.0181","0.0007","19.5326","0.0007","90","","111.452","0.0009","90","","7073.2","0.4","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C153 H106 B2 Cl2 F48 Pd4 -","- C153 H106 B2 Cl2 F48 Pd4 -","- C306 H212 B4 Cl4 F96 Pd8 -","2","1","","Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi","A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers","Chem.Commun.","2016","52","","6427","","","","","0.71075","MoKα","","0.0678","0.0538","","","0.1411","0.1572","","","","","","1.05","","","","has coordinates","184117","2020-10-21","18:00:00",""
"7119098","5.8458","0.0003","12.3784","0.0006","16.7657","0.0012","90","","98.058","0.006","90","","1201.22","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,3S)-3,7-dimethyl-2-(5-methyl-2-oxohexyl)-3- ((E)-6-methyl-3-oxohept-1-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one","","- C27 H38 O3 -","- C27 H38 O3 -","- C54 H76 O6 -","2","1","","Qiqiao Lin; Yuanzhen Li; Deb Kumar Das; Guoxiang Zhang; Zhifei Zhao; Shuang Yang; Xinqiang Fang","N-Heterocyclic carbene-catalyzed desymmetrization of functionalized 1,4-dienes via Stetter Reaction","Chem.Commun.","2016","52","","6459","","","","","1.54184","CuKα","","0.0457","0.0422","","","0.1127","0.1185","","","","","","1.045","","","","has coordinates","184126","2020-10-21","18:00:00",""
"7119125","10.417","0.003","7.846","0.003","15.614","0.005","90","","109.024","0.004","90","","1206.5","0.7","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","naphthalene bridged naphthoxyl-imidazolyl radical complex","","- C35 H22 N2 O -","- C35 H22 N2 O -","- C70 H44 N4 O2 -","2","1","","Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe","Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes","Chem.Commun.","2016","52","","6797","","","","","0.71073","MoKα","","0.0371","0.0323","","","0.0705","0.0728","","","","","","1.029","","","","has coordinates","185772","2020-10-21","18:00:00",""
"7119131","9.9582","0.0003","21.3845","0.0007","10.1108","0.0003","90","","103.135","0.002","90","","2096.78","0.11","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H32 Cl8 P2 Pt -","- C41 H32 Cl8 P2 Pt -","- C82 H64 Cl16 P4 Pt2 -","2","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0184","0.0183","","","0.0464","0.0466","","","","","","1.032","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119148","6.6058","0.0001","24.886","0.0004","14.6272","0.0003","90","","102.224","0.007","90","","2350.08","0.09","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40.17 H62.43 Na2 O28 -","- C40.168 H62.42 Na2 O28 -","- C80.336 H124.84 Na4 O56 -","2","1","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","1.54187","CuKα","","0.053","0.0506","","","0.1387","0.1456","","","","","","1.053","","","","has coordinates,has disorder","185782","2020-10-21","18:00:00",""
"7119149","6.6503","0.0015","24.44","0.006","14.717","0.003","90","","101.39","0.002","90","","2344.9","0.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 Na O13.5 -","- C21 H34 Na O13.5 -","- C84 H136 Na4 O54 -","4","2","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","0.71073","MoKα","","0.0479","0.0387","","","0.087","0.0912","","","","","","1.022","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7119150","6.6481","0.0005","24.625","0.002","14.756","0.0012","90","","102.798","0.0009","90","","2355.7","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.45 H30.90 Na O14.46 -","- C20.454 H30.908 Na O14.461 -","- C81.816 H123.632 Na4 O57.844 -","4","2","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","0.71073","MoKα","","0.0454","0.0436","","","0.1149","0.116","","","","","","1.096","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7119151","6.6239","0.0005","24.772","0.0017","14.6783","0.001","90","","102.43","0.0015","90","","2352.1","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.29 H30.59 Na O14 -","- C20.2965 H30.593 Na O14 -","- C81.186 H122.372 Na4 O56 -","4","2","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","0.71073","MoKα","","0.0674","0.0645","","","0.1633","0.1648","","","","","","1.17","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7119211","12.037","0.0003","35.2714","0.001","12.5698","0.0003","90","","96.978","0.001","90","","5297.1","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H37 N3 O3 S -","- C28 H37 N3 O3 S -","- C224 H296 N24 O24 S8 -","8","4","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","1.54178","CuKα","","0.1019","0.0637","","","0.1357","0.1531","","","","","","1.01","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119215","16.9445","0.0002","37.8065","0.0003","17.8856","0.0002","90","","116.408","0.002","90","","10262.1","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H58 N4 Na2 Si4 -","- C22 H58 N4 Na2 Si4 -","- C264 H696 N48 Na24 Si48 -","12","6","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T","Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.","Chemical communications (Cambridge, England)","2016","53","2","324","327","10.1039/c6cc07190b","","","1.54184","CuKα","","0.0441","0.041","","","0.103","0.1059","","","","","","1.014","","","","has coordinates","189731","2020-10-21","18:00:00",""
"7119264","8.8728","0.0003","9.3584","0.0004","18.8092","0.0006","90","","91.365","0.002","90","","1561.38","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N3 O3 P -","- C34 H38 N3 O3 P -","- C68 H76 N6 O6 P2 -","2","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0427","0.0389","","","0.0985","0.1014","","","","","","1.079","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119341","9.9447","0.0018","9.7882","0.0017","14.404","0.003","90","","99.979","0.004","90","","1380.9","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl N2 O -","- C34 H31 Cl N2 O -","- C68 H62 Cl2 N4 O2 -","2","1","","Liu, Suna; Yang, Pu; Peng, Shiyong; Zhu, Chenghao; Cao, Shengyu; Li, Jian; Sun, Jiangtao","Gold-catalyzed sequential annulations towards 3,4-fused bi/tri-cyclic furans involving a [3+2+2]-cycloaddition.","Chemical communications (Cambridge, England)","2017","53","6","1152","1155","10.1039/c6cc09154g","","","0.71073","MoKα","","0.0639","0.0473","","","0.1273","0.1408","","","","","","1.05","","","","has coordinates","191479","2020-10-21","18:00:00",""
"7119353","11.882","0.003","6.1817","0.0015","15.84","0.004","90","","108.485","0.004","90","","1103.4","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S8a","","- C24 H27 Br O5 -","- C24 H27 Br O5 -","- C48 H54 Br2 O10 -","2","1","","Liangliang; Song; Lei; Gong; Eric; Meggers","Asymmetric dual catalysis via fragmentation of a single rhodium precursor complex","Chem.Commun.","2016","52","","7699","","","","","0.71073","MoKα","","0.0367","0.0331","","","0.086","0.0871","","","","","","1.013","","","","has coordinates","189983","2020-10-21","18:00:00",""
"7119449","10.1753","0.001","16.8389","0.0017","9.2498","0.0009","90","","112.218","0.003","90","","1467.2","0.3","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl F12 Fe N5 P2 -","- C25 H29 Cl F12 Fe N5 P2 -","- C50 H58 Cl2 F24 Fe2 N10 P4 -","2","1","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.045","0.041","","","0.1053","0.1078","","","","","","1.039","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7119488","8.312","0.0002","11.1704","0.0003","11.8045","0.0004","90","","108.672","0.0016","90","","1038.34","0.05","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H17 Br Mn N2 O3 P -","- C21 H17 Br Mn N2 O3 P -","- C42 H34 Br2 Mn2 N4 O6 P2 -","2","1","","Gyandshwar; Kumar; Rao; Wendy; Pell; Ilia; Korobkov; Darrin; Richeson","Electrocatalytic reduction of CO2 using Mn complexes with unconventional coordination environments","Chem.Commun.","2016","52","","8010","","","","","0.71073","MoKα","","0.0253","0.024","","","0.0577","0.0582","","","","","","0.935","","","","has coordinates,has disorder","190520","2020-10-21","18:00:00",""
"7119489","11.8823","0.0002","6.1606","0.0001","13.2198","0.0002","90","","99.151","0.001","90","","955.4","0.03","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Su, Yong-Liang; Li, Yu-Hui; Chen, Yu-Gen; Han, Zhi-Yong","Ir/PTC cooperatively catalyzed asymmetric umpolung allylation of α-imino ester enabled synthesis of α-quaternary amino acid derivatives bearing two vicinal stereocenters.","Chemical communications (Cambridge, England)","2017","53","12","1985","1988","10.1039/c6cc09654a","","","1.54178","CuKα","","0.035","0.0345","","","0.0892","0.0901","","","","","","1.065","","","","has coordinates","193725","2020-10-21","18:00:00",""
"7119522","4.5946","0.0006","24.212","0.003","5.7315","0.0008","90","","106.629","0.004","90","","610.93","0.14","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.","Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.","Chemical communications (Cambridge, England)","2017","53","12","2024","2027","10.1039/c6cc09126a","","","0.71073","MoKα","","0.091","0.0586","","","0.1119","0.1218","","","","","","1.023","","","","has coordinates","193722","2020-10-21","18:00:00",""
"7119538","4.8916","0.001","16.862","0.003","10.63","0.002","90","","95.71","0.03","90","","872.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","Bai, Binglian; Zhang, Mingang; Ji, Nan; Wei, Jue; Wang, Haitao; Li, Min","E-Z isomerization of the -C[double bond, length as m-dash]N- bond in anthracene-based acylhydrazone derivatives under visible light.","Chemical communications (Cambridge, England)","2017","53","18","2693","2696","10.1039/c6cc08403f","","","0.71073","MoKα","","0.0546","0.0396","","","0.0898","0.0945","","","","","","1.032","","","","has coordinates","193714","2020-10-21","18:00:00",""
"7119551","9.6377","0.0008","13.88","0.0009","10.0595","0.0008","90","","117.921","0.003","90","","1189.03","0.16","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H23 F12 N3 Na2 O4 P2 -","- C13 H23 F12 N3 Na2 O4 P2 -","- C26 H46 F24 N6 Na4 O8 P4 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.1086","0.0966","","","0.266","0.2759","","","","","","1.052","","","","has coordinates,has disorder","193693","2020-10-21","18:00:00",""
"7119581","7.1675","0.0004","13.1365","0.0008","10.0074","0.0006","90","","101.075","0.0019","90","","924.71","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((3-Methyl-2,3-dihydrobenzofuran-3-yl)methyl)-3-phenylisoquinoline","","- C25 H21 N O -","- C25 H21 N O -","- C50 H42 N2 O2 -","2","1","","Yao, Tuanli; Liu, Tao; Zhang, Changhui","Palladium-catalyzed domino Heck/intermolecular cross-coupling: efficient synthesis of 4-alkylated isoquinoline derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2386","2389","10.1039/c6cc10075a","","","0.71073","MoKα","","0.1326","0.0618","","","0.1104","0.1316","","","","","","1.072","","","","has coordinates","193698","2020-10-21","18:00:00",""
"7119597","10.2077","0.001","12.3372","0.0011","13.3681","0.0015","90","","106.068","0.011","90","","1617.7","0.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 B Cl2 Ga N2 O -","- C30 H44 B Cl2 Ga N2 O -","- C60 H88 B2 Cl4 Ga2 N4 O2 -","2","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0398","0.0338","","","0.0783","0.083","","","","","","1.062","","","","has coordinates","191440","2020-10-21","18:00:00",""
"7119611","9.7362","0.0003","11.7081","0.0003","13.2219","0.0005","90","0","111.371","0.001","90","0","1403.56","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C60 H68 N4 O18 -","2","1","","Coffinet, Michaël; Massicot, Fabien; Joseph, Jomy; Behr, Jean-Bernard; Jaroschik, Florian; Vasse, Jean-Luc","(+)-Camphor-mediated kinetic resolution of allylalanes: a strategy towards enantio-enriched cyclohex-2-en-1-ylalane.","Chemical communications (Cambridge, England)","2016","53","1","111","114","10.1039/c6cc08649g","","","1.54178","CuKα","","0.0301","0.0287","","","0.0696","0.0707","","","","","","1.038","","","","has coordinates","191450","2020-10-21","18:00:00",""
"7119651","9.882","0.004","20.953","0.008","16.215","0.006","90","","93.913","0.011","90","","3350","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","4","","U. B. Rao Khandavilli; Matteo Lusi; Balakrishna R. Bhogala; Anita R. Maguire; Matthias Stein; Simon E. Lawrence","Diversity in a simple co-crystal: racemic and kryptoracemic behaviour","Chem.Commun.","2016","52","","8309","8312","10.1039/C6CC04148E","","","0.71073","MoKα","","0.1735","0.1089","","","0.2653","0.3014","","","","","","1.028","","","","has coordinates","287771","2023-11-24","08:38:56",""
"7119679","14.3957","0.0007","18.2215","0.0008","16.1798","0.0007","90","","102.476","0.002","90","","4143.9","0.3","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H82 Cl4 Co3 N10 O26 -","- C73 H66 Cl4 Co3 N10 O26 -","- C146 H132 Cl8 Co6 N20 O52 -","2","1","","Roberto Berardozzi; Elena Badetti; Nadia Alessandra Carmo dos Santos; Klaus Wurst; Giulia Licini; Gennaro Pescitelli; Cristiano Zonta; Lorenzo Di Bari","Co(II)-induced giant vibrational CD provides a new design of methods for rapid and sensitive chirality recognition","Chem.Commun.","2016","52","","8428","","","","","0.71073","MoKα","","0.096","0.0674","","","0.1574","0.1724","","","","","","1.026","","","","has coordinates,has disorder","192272","2020-10-21","18:00:00",""
"7119686","5.732","0.008","18.45","0.02","18.87","0.03","90","","90","0.02","90","","1996","5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O S -","- C21 H27 N O S -","- C84 H108 N4 O4 S4 -","4","2","","Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.","Chemical communications (Cambridge, England)","2017","53","25","3520","3523","10.1039/c7cc00108h","","","0.71073","MoKα","","0.138","0.0631","","","0.1499","0.1842","","","","","","0.902","","","","has coordinates","194972","2020-10-21","18:00:00",""
"7119710","11.2912","0.0003","6.19457","0.00016","13.4697","0.0004","90","","96.023","0.003","90","","936.93","0.04","292.9","0.3","292.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Wang, Zhengmeng; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N'-dioxide-Sc(NTf2)3 complex-catalyzed asymmetric bromoamination of chalones with N-bromosuccinimide as both bromine and amide source.","Chemical communications (Cambridge, England)","2017","53","24","3462","3465","10.1039/c7cc00470b","","x-ray","0.71073","MoKα","","0.0431","0.0349","","","0.0757","0.08","","","","","","1.042","","","","has coordinates","194931","2020-10-21","18:00:00",""
"7119788","8.0521","0.0016","10.418","0.002","10.027","0.002","90","","96.73","0.03","90","","835.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Cheng, Xing; Zhu, Lei; Lin, Meijun; Chen, Jianxin; Huang, Xueliang","Rapid access to cyclopentadiene derivatives through gold-catalyzed cycloisomerization of ynamides with cyclopropenes by preferential activation of alkenes over alkynes.","Chemical communications (Cambridge, England)","2017","53","26","3745","3748","10.1039/c7cc01368j","","","0.71073","MoKα","","0.0538","0.0396","","","0.0787","0.0844","","","","","","0.992","","","","has coordinates","194955","2020-10-21","18:00:00",""
"7119882","12.1816","0.0003","7.75707","0.00017","12.8655","0.0003","90","","101.439","0.0014","90","","1191.56","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C58 H58 N2 O8 -","2","1","","Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.","Chemical communications (Cambridge, England)","2017","53","35","4779","4782","10.1039/c7cc01058c","","","1.54187","CuKα","","0.1006","0.0486","","","0.1071","0.162","","","","","","1.158","","","","has coordinates","196297","2020-10-21","18:00:00",""
"7119885","9.2518","0.0012","18.883","0.003","15.178","0.002","90","","94.143","0.005","90","","2644.7","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N3 O3 S -","- C28 H28 Br N3 O3 S -","- C112 H112 Br4 N12 O12 S4 -","4","2","","Zhu, Chao-Ze; Feng, Jian-Jun; Zhang, Junliang","Rhodium-catalyzed intermolecular [3+3] cycloaddition of vinyl aziridines with C,N-cyclic azomethine imines: stereospecific synthesis of chiral fused tricyclic 1,2,4-hexahydrotriazines.","Chemical communications (Cambridge, England)","2017","53","34","4688","4691","10.1039/c7cc02078c","","","0.71073","MoKα","","0.1195","0.0635","","","0.1419","0.1724","","","","","","1.012","","","","has coordinates","196306","2020-10-21","18:00:00",""
"7119898","7.7667","0.0003","5.8151","0.0002","13.6758","0.0006","90","","102.312","0.004","90","","603.45","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0417","0.0393","","","0.0991","0.1003","","","","","","1.164","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119899","6.1863","0.0003","16.8458","0.0007","15.5108","0.0013","90","","96.948","0.006","90","","1604.56","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O6 Zn -","- C12 H19 N3 O6 Zn -","- C48 H76 N12 O24 Zn4 -","4","2","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.08","0.0705","","","0.1838","0.1949","","","","","","1.027","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119904","17.9007","0.0006","13.4705","0.0004","18.9244","0.0007","90","","98.1603","0.0016","90","","4517.1","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C37 H27 Br N2 O2 -","- C37 H27 Br N2 O2 -","- C222 H162 Br6 N12 O12 -","6","3","","Zhu, Guodong; Wu, Shiqi; Bao, Xiaoze; Cui, Longchen; Zhang, Yanpeng; Qu, Jingping; Chen, Hongbo; Wang, Baomin","Asymmetric [3+2] cycloaddition of 3-amino oxindole-based azomethine ylides with α,β-ynones: a straightforward approach to spirooxindoles incorporating 2,5-dihydropyrroles and pyrroles.","Chemical communications (Cambridge, England)","2017","53","34","4714","4717","10.1039/c7cc01653k","","","0.71073","MoKα","","0.0736","0.0391","","","0.0839","0.0923","","","","","","0.988","","","","has coordinates","196307","2020-10-21","18:00:00",""
"7119907","5.4942","0.0017","18.284","0.006","6.781","0.002","90","","103.824","0.005","90","","661.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0765","0.0555","","","0.1348","0.1826","","","","","","0.998","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119927","8.7183","0.0013","18.007","0.002","9.5051","0.0011","90","","106.811","0.008","90","","1428.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 F3 N2 O2 -","- C32 H31 F3 N2 O2 -","- C64 H62 F6 N4 O4 -","2","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0712","0.0515","","","0.1446","0.1662","","","","","","1.073","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119928","8.2953","0.0005","9.5761","0.0005","17.2423","0.0009","90","","101.342","0.003","90","","1342.92","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Br N3 O4 -","- C30 H28 Br N3 O4 -","- C60 H56 Br2 N6 O8 -","2","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0967","0.0737","","","0.1536","0.1652","","","","","","1.088","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119932","8.3035","0.0014","9.6853","0.0013","17.333","0.003","90","","101.057","0.009","90","","1368.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N3 O4 -","- C15.5 H14 F1.5 N1.5 O2 -","- C62 H56 F6 N6 O8 -","4","2","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0787","0.0616","","","0.1599","0.1708","","","","","","1.061","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119962","12.61","0.005","5.974","0.005","12.888","0.005","90","","106.487","0.005","90","","931","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C42 H34 Br2 N4 O8 -","2","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71069","MoKα","","0.0273","0.0242","","","0.0551","0.056","","","","","","1.037","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119976","10.9335","0.0009","13.6371","0.0012","22.866","0.002","90","","98.801","0.002","90","","3369.2","0.5","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-bis(2,6-diisopropylphenyl)-4,13-bis(dimethylamino)- benzo[a,j]coronene-1,8,9,16-tetracarboxylic acid bisimide","","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","- C128 H112 N8 O8 -","2","1","","Kojima, Mitsuru; Tamoto, Akira; Aratani, Naoki; Yamada, Hiroko","Rearrangement of an aniline linked perylene bisimide under acidic conditions and visible to near-infrared emission from intramolecular charge-transfer state of its fused derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC01520H","","","0.71073","MoKα","","0.119","0.0797","","","0.21","0.2357","","","","","","0.94","","","","has coordinates,has disorder","195525","2020-10-21","18:00:00",""
"7119989","14.4214","0.001","11.6137","0.0006","16.9862","0.0011","90","","111.966","0.008","90","","2638.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H55 Cl2 N3 O8 -","- C42 H55 Cl2 N3 O8 -","- C84 H110 Cl4 N6 O16 -","2","1","","Zhang, Yanhui; Liu, Rong; Liu, Bo","Total Synthesis of Nannocystin Ax","Chem. Commun.","2017","","","","","10.1039/C7CC00469A","","x-ray","0.71073","MoKα","","0.0881","0.0587","","","0.1578","0.1729","","","","","","0.927","","","","has coordinates,has disorder","195638","2020-10-21","18:00:00",""
"7119993","8.0715","0.0002","8.9946","0.0002","25.1406","0.0006","90","0","98.0371","0.0008","90","0","1807.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-21","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C84 H64 Cl8 O12 -","4","2","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.025","0.0242","","","0.0584","0.0588","","","","","","1.081","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119994","9.629","0.005","17.514","0.005","10.738","0.005","90","0","98.23","0.005","90","0","1792.2","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-19","","- C22 H17 Br O3 -","- C22 H17 Br O3 -","- C88 H68 Br4 O12 -","4","2","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0268","0.0255","","","0.0537","0.0544","","","","","","1.085","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120006","10.606","0.004","6.39","0.003","13.828","0.006","90","","95.946","0.008","90","","932.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F4 N2 O3 -","- C18 H20 F4 N2 O3 -","- C36 H40 F8 N4 O6 -","2","1","","Liang, Xiao-Wei; Liu, Chuan; Zhang, Wei; You, Shuli","Asymmetric Fluorinative Dearomatization of Tryptamine Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC02419C","","","0.71073","MoKα","","0.1018","0.0888","","","0.2191","0.2281","","","","","","1.168","","","","has coordinates","195735","2020-10-21","18:00:00",""
"7120064","9.8186","0.0005","9.2688","0.0005","10.8223","0.0005","90","","99.2433","0.0018","90","","972.11","0.09","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H18 As Au Cl N O2 -","- C20 H18 As Au Cl N O2 -","- C40 H36 As2 Au2 Cl2 N2 O4 -","2","1","","Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Nickel Catalyzed Enantioselective Hydroarsination of Nitrostyrene","Chem. Commun.","2017","","","","","10.1039/C7CC02044A","","","0.71073","MoKα","","0.0421","0.0348","","","0.0675","0.0706","","","","","","1.029","","","","has coordinates","195945","2020-10-21","18:00:00",""
"7120072","10.7635","0.0012","8.4013","0.0008","13.5791","0.0013","90","","98.698","0.003","90","","1213.8","0.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Huang, Bo; Sun, Lin-Ying; Wang, Sha-Sha; Zhang, Jianyu; Ji, Chengmin; Luo, Junhua; Zhang, Wei-Xiong; Chen, Xiao-Ming","A near-room-temperature organic-inorganic hybrid molecular ferroelectric: [C6H5CH2CH2NH3]2[CdI4]","Chem. Commun.","2017","","","","","10.1039/C7CC02408H","","","0.71073","MoKα","","0.0453","0.0415","","","0.1022","0.1076","","","","","","1.058","","","","has coordinates,has disorder","196204","2020-10-21","18:00:00",""
"7120077","6.7712","0.0004","21.3766","0.0014","6.9819","0.0004","90","","114.052","0.0016","90","","922.85","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H36 B2 N2 P2 -","- C12 H36 B2 N2 P2 -","- C24 H72 B4 N4 P4 -","2","1","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.71073","MoKα","","0.0389","0.0353","","","0.0856","0.0881","","","","","","1.053","","","","has coordinates","196213","2020-10-21","18:00:00",""
"7120078","12.9259","0.00014","12.42237","0.00013","18.1785","0.0002","90","","107.055","0.0012","90","","2790.57","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H54 B F24 N2 P2 Rh -","- C54 H54 B F24 N2 P2 Rh -","- C108 H108 B2 F48 N4 P4 Rh2 -","2","1","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.7107","MoKα","","0.0204","0.0198","","","0.0529","0.0531","","","","","","1.052","","","","has coordinates,has disorder","196213","2020-10-21","18:00:00",""
"7120086","12.615","0.005","9.87","0.004","19.82","0.009","90","","102.263","0.01","90","","2411.5","1.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N O -","- C31 H24 Br N O -","- C124 H96 Br4 N4 O4 -","4","2","","Zhang, Zhao-Fei; Chen, Kun-Quan; Zhang, Chun-Lin; Ye, Song","N-heterocyclic carbene-catalyzed synthesis of spirocyclopentene-oxindoles from bromoenals.","Chemical communications (Cambridge, England)","2017","53","31","4327","4330","10.1039/c6cc10304a","","","0.71073","MoKα","","0.1248","0.1015","","","0.1448","0.155","","","","","","1.165","","","","has coordinates","196217","2020-10-21","18:00:00",""
"7120092","6.5747","0.0005","16.8602","0.0009","10.7211","0.0007","90","","93.733","0.007","90","","1185.92","0.14","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 Cl O3 -","- C28 H25 Cl O3 -","- C56 H50 Cl2 O6 -","2","1","","Jia, Zhi-Long; Wang, Yao; Xu, Guo-Qiang; Xu, Peng-Fei","Kinetic resolution via supramolecular iminium catalysis: multiactivation enables the asymmetric synthesis of β-aryl substituted aldehydes and densely functionalized cyclohexanes.","Chemical communications (Cambridge, England)","2017","53","36","4938","4941","10.1039/c7cc01625e","","x-ray","0.71073","MoKα","","0.0959","0.0558","","","0.1042","0.1261","","","","","","1.034","","","","has coordinates","196219","2020-10-21","18:00:00",""
"7120099","13.803","0.004","14.747","0.005","21.885","0.007","90","","108.236","0.005","90","","4231","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O -","- C27 H27 N O -","- C216 H216 N8 O8 -","8","4","","Hu, Ming; Guo, Ling-Yu; Han, Ying; Tan, Fang-Lin; Song, Ren-Jie; Li, Jin-Heng","Intermolecular Cascade Annulations of N-(Arysulfonyl)acrylamides with Dual C(sp3)-H Bonds: Divergent Access to Indanes and Pyrrolidin-2-ones","Chem. Commun.","2017","","","","","10.1039/C7CC02608K","","","0.71073","MoKα","","0.1501","0.1329","","","0.3425","0.3549","","","","","","1.423","","","","has coordinates","196545","2020-10-21","18:00:00",""
"7120104","5.081","0.0003","24.7309","0.0012","14.5097","0.001","90","","99.007","0.005","90","","1800.77","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly(disilver-dimethionine-dinitrate) dihydrate","","- C20 H48 Ag2 N6 O16 S4 -","- C20 H48 Ag2 N6 O16 S4 -","- C40 H96 Ag4 N12 O32 S8 -","2","1","","Chabert, Valentin; Hologne, Maggy; Seneque, Olivier; Crochet, Aurelien; Walker, Olivier; Fromm, Katharina","Model Peptide Studies of Ag+ Binding Sites from the Silver Resistance Protein SilE","Chem. Commun.","2017","","","","","10.1039/C7CC02630G","","x-ray","0.71073","MoKα","","0.1164","0.0864","","","0.2272","0.2525","","","","","","1.019","","","","has coordinates","196699","2020-10-21","18:00:00",""
"7120120","9.7979","0.0017","6.8652","0.0012","12.478","0.002","90","","94.477","0.004","90","","836.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Zheng, Dongsong; Zhao, Qiankun; Hu, Xiaoying; Cheng, Tanyu; Liu, Guohua; Wang, Wei","Dynamic kinetic asymmetric transfer hydrogenation-cyclization tandem reaction: an easy access to chiral 3,4-dihydro-2H-pyran-carbonitriles","Chem. Commun.","2017","","","","","10.1039/C7CC02156A","","","0.71073","MoKα","","0.0618","0.0462","","","0.1021","0.1106","","","","","","1.038","","","","has coordinates","196706","2020-10-21","18:00:00",""
"7120152","16.246","0.003","30.559","0.005","20.51","0.003","90","","89.973","0.003","90","","10182","3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C112 H94 Cl F6 N5 O2 P -","- C111 H79 Cl F6 N5 O2 P -","- C444 H316 Cl4 F24 N20 O8 P4 -","4","2","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation of supramolecular hetero-triads by controlling hydrogen bonding of conjugate bases with a diprotonated porphyrin based on electrostatic interaction","Chem. Commun.","2017","","","","","10.1039/C7CC03635C","","","0.71073","MoKα","","0.1092","0.0785","","","0.2026","0.2182","","","","","","1.035","","","","has coordinates","196801","2020-10-21","18:00:00",""
"7120187","9.287","0.002","10.555","0.002","12.485","0.003","90","","95.78","0.004","90","","1217.6","0.5","293.15","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-4,5-bis(4-fluorophenyl)-2-phenyl-1-tosyl-2,3-dihydro-1H-pyrrole","","- C29 H23 F2 N O2 S -","- C29 H23 F2 N O2 S -","- C58 H46 F4 N2 O4 S2 -","2","1","","Wang, Ze-Shu; Tan, Tong-De; Wang, Cai-Ming; Yuan, Ding-Qiang; Zhang, Te; zhu, pengfei; Zhu, Chunyin; Zhou, Jin-Mei; Ye, Long-Wu","Dual Gold/Photoredox-Catalyzed Bis-Arylative Cyclization of Chiral Homopropargyl Sulfonamides with Diazonium Salts: Rapid Access to Enantioenriched 2,3-Dihydropyrroles","Chem. Commun.","2017","","","","","10.1039/C7CC03262E","","","0.71073","MoKα","","0.047","0.0461","","","0.1165","0.1172","","","","","","1.125","","","","has coordinates","196952","2020-10-21","18:00:00",""
"7120196","7.67071","0.00016","13.2339","0.0002","9.603","0.0002","90","","112.936","0.003","90","","897.76","0.04","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","1","","Zheng, Haifeng; Xu, Chaoran; Wang, Yan; Kang, Tengfei; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric [2+2] Cycloaddition between Quinones and Fulvenes and a Subsequent Stereoselective Isomerization to 2,3-Dihydrobenzofurans","Chem. Commun.","2017","","","","","10.1039/C7CC03211K","","x-ray","1.54184","CuKα","","0.0433","0.043","","","0.1124","0.1129","","","","","","1.063","","","","has coordinates","196982","2020-10-21","18:00:00",""
"7120251","8.6146","0.0002","29.8779","0.0005","17.5654","0.0003","90","","99.466","0.002","90","","4459.53","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(18-crown-6)][PH2C(O)NHCHCMeCOO]","","- C16 H31 K N O9 P -","- C16 H31 K N O9 P -","- C128 H248 K8 N8 O72 P8 -","8","4","","de Faria, Érica Neves; Jupp, Andrew; Goicoechea, Jose M.","Amino acid functionalisation using the 2-phosphaethynolate anion. A facile route to (phosphanyl)carbonyl-amino acids.","Chem. Commun.","2017","","","","","10.1039/C7CC01285C","","","1.54178","CuKα","","0.0469","0.0421","","","0.1104","0.1137","","","","","","1.017","","","","has coordinates","197670","2020-10-21","18:00:00",""
"7120253","7.9928","0.0007","10.3771","0.0009","12.8507","0.0011","90","","98.625","0.002","90","","1053.81","0.16","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H20 Br Cl F3 N O3 -","- C21 H20 Br Cl F3 N O3 -","- C42 H40 Br2 Cl2 F6 N2 O6 -","2","1","","Zhang, Junliang; Xu, Bing; Zhang, Zhan-Ming; Liu, Bing; Xu, Shan; Zhou, Lu-Jia","Copper(I)-Catalyzed Asymmetric Exo-selective [3+2] Cycloaddition of Azomethine Ylides with β-Trifluoromethyl β, β-Disubstituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03015K","","","0.71073","MoKα","","0.0308","0.0264","","","0.0662","0.0681","","","","","","1.041","","","","has coordinates","197724","2020-10-21","18:00:00",""
"7120254","18.4648","0.0012","10.5267","0.0007","22.6707","0.0015","90","","104.961","0.002","90","","4257.2","0.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H16 Br Cl F3 N O4 -","- C21 H16 Br Cl F3 N O4 -","- C168 H128 Br8 Cl8 F24 N8 O32 -","8","4","","Zhang, Junliang; Xu, Bing; Zhang, Zhan-Ming; Liu, Bing; Xu, Shan; Zhou, Lu-Jia","Copper(I)-Catalyzed Asymmetric Exo-selective [3+2] Cycloaddition of Azomethine Ylides with β-Trifluoromethyl β, β-Disubstituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03015K","","","0.71073","MoKα","","0.0977","0.0591","","","0.1188","0.1372","","","","","","1.032","","","","has coordinates","197724","2020-10-21","18:00:00",""
"7120270","12.4756","0.0005","11.9717","0.0006","17.9467","0.0007","90","","105.597","0.004","90","","2581.7","0.2","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C116 H104 N8 O24 -","4","2","","Hong, San-Ni; Liu, Yang; Lee, Richmond; Jiang, Zhiyong","Asymmetric tandem conjugate addition−protonation to forge chiral secondary C−O bond for quaternary carbon stereocenters at the nonadjacent β-position","Chem. Commun.","2017","","","","","10.1039/C7CC03700G","","","1.54184","CuKα","","0.0484","0.0411","","","0.0987","0.1043","","","","","","1.054","","","","has coordinates","197785","2020-10-21","18:00:00",""
"7120286","12.5308","0.0003","7.8842","0.0002","12.7592","0.0003","90","","98.906","0.002","90","","1245.35","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N3 O -","- C31 H33 N3 O -","- C62 H66 N6 O2 -","2","1","","Lin, Shao-Xia; Sun, Gui-Jun; Kang, Qiang","Visible-Light-Activated Rhodium Complex in Enantioselective Conjugate Addition of α-Amino Radicals with Michael Acceptors","Chem. Commun.","2017","","","","","10.1039/C7CC03650G","","","1.54184","CuKα","","0.0347","0.0329","","","0.0852","0.0868","","","","","","1.065","","","","has coordinates","197895","2020-10-21","18:00:00",""
"7120308","10.5924","0.0005","36.8212","0.0015","14.0563","0.0006","90","","96.839","0.004","90","","5443.3","0.4","100","2","100","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","","Unknown","","- C58 H63 Co N2 O2 Se -","- C58 H63.5 Co N2 O2 Se -","- C232 H254 Co4 N8 O8 Se4 -","4","2","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.091","0.0704","","","0.163","0.1804","","","","","","1.082","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7120332","5.9445","0.0011","7.7091","0.0014","15.328","0.003","90","","93.942","0.003","90","","700.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.0695","0.0514","","","0.1138","0.1433","","","","","","1.112","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120353","7.6645","0.0015","13.511","0.003","8.2107","0.0016","90","","98.474","0.004","90","","841","0.3","293","2","293","2","","","","","","","3,4,5-trimethoxyphenol","4","P 1 21 1","P 2yb","4","(S)-3fa","(S)-4-(1-(4-bromophenyl)prop-2-yn-1-yl)-3,4,5-trimethoxycyclohexa-2,5-dienone","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C36 H34 Br2 O8 -","2","1","","Shao, Long; Hu, Xiang-Ping","Copper-catalyzed intermolecular asymmetric propargylic dearomatization of phenol derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC03034G","","","0.71073","MoKα","","0.0453","0.0365","","","0.077","0.0799","","","","","","0.985","","","","has coordinates","198270","2020-10-21","18:00:00",""
"7120435","11.791","0.011","10.595","0.008","11.856","0.011","90","","110.406","0.013","90","","1388","2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H18 F3 N3 O6 -","- C33 H18 F3 N3 O6 -","- C66 H36 F6 N6 O12 -","2","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0746","0.0606","","","0.138","0.1524","","","","","","1.015","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120438","8.898","0.005","16.229","0.009","14.316","0.008","90","","95.661","0.007","90","","2057","2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H43 B N4 -","- C54 H43 B N4 -","- C108 H86 B2 N8 -","2","1","","Matsuo, Kyohei; Yasuda, Takuma","Enhancing thermally activated delayed fluorescence characteristics by intramolecular B‒N coordination in a phenylpyridine-containing donor‒acceptor π-system","Chem. Commun.","2017","","","","","10.1039/C7CC04875K","","","0.71075","MoKα","","0.0426","0.0382","","","0.0897","0.0936","","","","","","1.049","","","","has coordinates,has disorder","198699","2020-10-21","18:00:00",""
"7120469","11.6327","0.0003","15.2299","0.0003","11.7369","0.0003","90","","105.682","0.003","90","","2001.97","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 B F4 N -","- C26 H18 B F4 N -","- C104 H72 B4 F16 N4 -","4","2","","Brandt, Jochen; Pospisil, Lubomir; Bednárová, Lucie; Correa da Costa, Rosenildo; White, Andrew J. P.; Mori, Tadashi; Teply, Filip; Fuchter, Matthew","Intense Redox-Driven Chiroptical Switching with a 580 mV Hysteresis Actuated Through Reversible Dimerization of an Azoniahelicene","Chem. Commun.","2017","","","","","10.1039/C7CC04903J","","","1.54184","CuKα","","0.0735","0.0684","","","0.1916","0.1997","","","","","","1.035","","","","has coordinates,has disorder","198769","2020-10-21","18:00:00",""
"7120495","14.1916","0.0009","5.8015","0.0003","16.4573","0.0007","90","","93.438","0.005","90","","1352.53","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Br N O4 -","- C30 H33 Br N O4 -","- C60 H66 Br2 N2 O8 -","2","1","","Yuan, Wei; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric alkylation of remote C(sp3)‒H bonds by combining proton-coupled electron transfer with chiral Lewis acid catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC04941B","","","1.54184","CuKα","","0.1245","0.083","","","0.2551","0.348","","","","","","1.002","","","","has coordinates","199351","2020-10-21","18:00:00",""
"7120520","8.0345","0.0002","12.6015","0.0004","9.2114","0.0003","90","","107.576","0.003","90","","889.09","0.05","290.64","0.1","290.64","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","butyl (aR)-3,6-dihydroxy-2-(2-hydroxynaphthalen-1-yl)benzoate","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Xu, Chaoran; Zheng, Haifeng; Hu, Bowen; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral Cobalt(II) Complex Catalyzed Friedel-Crafts-Aromatization for Synthesis of Axially Chiral Biaryldiols","Chem. Commun.","2017","","","","","10.1039/C7CC05266A","","x-ray","1.54184","CuKα","","0.0521","0.0513","","","0.1314","0.133","","","","","","1.043","","","","has coordinates","199624","2020-10-21","18:00:00",""
"7120521","12.6288","0.0008","16.6036","0.0007","13.9577","0.0008","90","","90.375","0.005","90","","2926.6","0.3","143","0.1","143","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","L-RaPr2/Co(ClO4)2?6H2O complex","","- C51 H80 Cl2 Co N4 O14 -","- C51 H80 Cl2 Co N4 O14 -","- C102 H160 Cl4 Co2 N8 O28 -","2","1","","Xu, Chaoran; Zheng, Haifeng; Hu, Bowen; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral Cobalt(II) Complex Catalyzed Friedel-Crafts-Aromatization for Synthesis of Axially Chiral Biaryldiols","Chem. Commun.","2017","","","","","10.1039/C7CC05266A","","x-ray","0.71073","MoKα","","0.0991","0.0698","","","0.1768","0.1959","","","","","","0.99","","","","has coordinates","199624","2020-10-21","18:00:00",""
"7120558","10.607","0.004","7.076","0.003","15.851","0.008","90","","91.393","0.01","90","","1189.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 S2 -","- C24 H27 N O5 S2 -","- C48 H54 N2 O10 S4 -","2","1","","Torres, Òscar; Solà, Miquel; Roglans, Anna; Pla Quintana, Anna","Unusual reactivity of rhodium carbenes with allenes: an efficient asymmetric synthesis of methylenetetrahydropyran scaffolds","Chem. Commun.","2017","","","","","10.1039/C7CC04803C","","","0.71073","MoKα","","0.1229","0.0762","","","0.1653","0.1912","","","","","","1.146","","","","has coordinates","199783","2020-10-21","18:00:00",""
"7120571","5.6957","0.0004","34.431","0.002","13.1466","0.0009","90","","90.142","0.002","90","","2578.2","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H26 N2 -","- C36 H26 N2 -","- C144 H104 N8 -","4","2","","Tao, Chen-Lei; Chen, Bin; Liu, Xun-Gao; Zhou, Li-Jiao; Zhu, Xiao-Li; Cao, Jun; Gu, Zhi-Guo; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","A highly luminescent entangled metal-organic framework based on pyridine-substituted tetraphenylethene for efficient pesticide detection","Chem. Commun.","2017","","","","","10.1039/C7CC05031C","","","0.71073","MoKα","","0.1332","0.1076","","","0.2778","0.2984","","","","","","1.199","","","","has coordinates,has disorder","199804","2020-10-21","18:00:00",""
"7120617","8.111","0.002","7.5844","0.0017","10.765","0.003","90","","104.27","0.03","90","","641.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai","NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine","Chem. Commun.","2017","","","","","10.1039/C7CC04466F","","x-ray","0.71073","MoKα","","0.0754","0.0563","","","0.1416","0.178","","","","","","1.015","","","","has coordinates","200191","2020-10-21","18:00:00",""
"7120618","8.811","0.004","7.488","0.004","13.687","0.007","90","","107.942","0.012","90","","859.1","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 S -","- C20 H15 Br O3 S -","- C40 H30 Br2 O6 S2 -","2","1","","Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai","NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine","Chem. Commun.","2017","","","","","10.1039/C7CC04466F","","","0.71073","MoKα","","0.0249","0.0238","","","0.0559","0.0561","","","","","","1.003","","","","has coordinates","200191","2020-10-21","18:00:00",""
"7120665","11.8347","0.0003","19.7159","0.0005","14.9148","0.0004","90","","91.806","0.007","90","","3478.37","0.16","112","2","112","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(η^5^-3,4-diphenyl-1-(2,4,6-trimethylphenyl)-2,5-bis(trimethylsilyl)-1-silacyclopentadien-1-yl)-tetrahydrofuran-lithium","","- C35 H47 Li O Si3 -","- C35 H47 Li O Si3 -","- C140 H188 Li4 O4 Si12 -","4","2","","Fekete, Csaba; Kovacs, Ilona; Nyulaszi, Laszlo; Holczbauer, Tamas","Planar lithium silolide: Aromaticity, with significant contribution of non-classical resonance structure","Chem. Commun.","2017","","","","","10.1039/C7CC07004G","","","1.54178","CuKα","","0.0558","0.0469","","","0.0988","0.1061","","","","","","1.045","","","","has coordinates","200911","2020-10-21","18:00:00",""
"7120675","8.1122","0.0004","7.8149","0.0003","10.1296","0.0004","90","","102.368","0.002","90","","627.27","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bose, Anima; Mal, Prasenjit","Weak Interactions Controlled C-H Mono-Nitration of Indolines","Chem. Commun.","2017","","","","","10.1039/C7CC06267B","","","0.71073","MoKα","","0.0537","0.0416","","","0.0929","0.0999","","","","","","1.034","","","","has coordinates","201003","2020-10-21","18:00:00",""
"7120712","8.291","0.002","6.1867","0.0015","11.241","0.003","90","","106.88","0.004","90","","551.8","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","11-isocyano-9,10-dihydro-9,10-epiminoanthracene","N-isocyano-dibenzo-7-azanorbornadiene","","- C15 H10 N2 -","- C15 H10 N2 -","- C30 H20 N4 -","2","1","","Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher","An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom","Chem. Commun.","2017","","","","","10.1039/C7CC06516G","","","0.71073","MoKα","","0.0575","0.0453","","","0.1042","0.1112","","","","","","0.996","","","","has coordinates","201327","2020-10-21","18:00:00",""
"7120748","6.7287","0.0003","36.9509","0.0016","8.6433","0.0005","90","","105.177","0.006","90","","2074.04","0.19","297","0.5","297","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","2","","Ge, Shulin; Kang, Tengfei; Lin, Lili; Zhang, Xiying; Zhao, Peng; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N’-Dioxide/Sc(OTf)3 Complex-Catalyzed Asymmetric Dearomatization of β-Naphthols","Chem. Commun.","2017","","","","","10.1039/C7CC06388A","","x-ray","1.54184","CuKα","","0.0647","0.0599","","","0.1578","0.1653","","","","","","1.041","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120793","11.099","0.002","10.352","0.002","17.468","0.004","90","","91.518","0.004","90","","2006.3","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H37 Co F18 N8 Sb3 -","- C18 H31 Co F18 N6 Sb3 -","- C36 H62 Co2 F36 N12 Sb6 -","2","1","","Corona, Teresa; Padamati, Sandeep K.; Acuña-Parés, Ferran; Duboc, Carole; Browne, Wesley R.; Company, Anna","Trapping of superoxido cobalt and peroxido dicobalt species formed reversibly from CoII and O2","Chem. Commun.","2017","","","","","10.1039/C7CC05904C","","","0.71073","MoKα","","0.055","0.0495","","","0.1265","0.1315","","","","","","1.043","","","","has coordinates,has disorder","202036","2020-10-21","18:00:00",""
"7120831","12.8","0.003","7.0766","0.0013","13.621","0.003","90","","116.294","0.003","90","","1106.1","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O6 S -","- C24 H22 N2 O6 S -","- C48 H44 N4 O12 S2 -","2","1","","Ohmatsu, Kohsuke; Furukawa, Yukino; Kiyokawa, Mari; Ooi, Takashi","Diastereo- and enantioselective phase-transfer alkylation of 3-substituted oxindoles with racemic secondary alkyl halides","Chem. Commun.","2017","","","","","10.1039/C7CC07122A","","","0.71075","MoKα","","0.038","0.0287","","","0.0627","0.065","","","","","","0.926","","","","has coordinates","202363","2020-10-21","18:00:00",""
"7120834","13.172","0.003","6.6186","0.0008","16.673","0.003","90","","112.481","0.018","90","","1343.1","0.5","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O8 -","- C29 H31 N3 O8 -","- C58 H62 N6 O16 -","2","1","","Ma, Chun; Zhang, Ting; Zhou, Jia-Yu; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric chemodivergent arylative dearomatization of tryptophols","Chem. Commun.","2017","","","","","10.1039/C7CC06547G","","","1.54184","CuKα","","0.0498","0.0401","","","0.0846","0.0912","","","","","","1.113","","","","has coordinates","202387","2020-10-21","18:00:00",""
"7120840","10.0741","0.001","7.6193","0.0015","11.4018","0.0017","90","","90.452","0.009","90","","875.1","0.2","294.7","0.2","294.7","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C40 H44 N4 O6 -","2","1","","Chen, Jin-Quan; Song, Le-Le; Li, Feng-Xing; Shi, Zi-Fa; Cao, Xiao-Ping","Asymmetric formal synthesis of (+)-cycloclavine","Chem. Commun.","2017","","","","","10.1039/C7CC08044A","","","0.71073","MoKα","","0.1163","0.0668","","","0.1437","0.1792","","","","","","1.048","","","","has coordinates","202435","2020-10-21","18:00:00",""
"7120896","10.024","0.005","11.074","0.005","13.112","0.006","90","","92.686","0.009","90","","1453.9","1.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H27 Br O5 -","- C33 H27 Br O5 -","- C66 H54 Br2 O10 -","2","1","","Fang, Xinqiang; Zhang, Guoxiang; Xu, Weici; Liu, Jian; Das, Deb Kumar; Yang, Shuang; Perveen, Saima; Zhang, Hao; Li, Xinglong","Enantioselective Intermolecular All-Carbon [4+2] Annulation via N-Heterocyclic Carbene Organocatalysis","Chemical Communications","2017","","","","","10.1039/C7CC08680F","","","0.71073","MoKα","","0.0762","0.0477","","","0.1078","0.1157","","","","","","0.732","","","","has coordinates","203514","2020-10-21","18:00:00",""
"7120908","20.2896","0.0005","12.0942","0.0003","15.3831","0.0004","90","","101.088","0.002","90","","3704.34","0.16","15","1","15","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C116 H132 B8 F32 Fe4 N44 O8 S8 -","4","2","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0398","0.0334","","","0.0696","0.0732","","","","","","1.01","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120935","9.499","0.0009","6.1878","0.0007","11.9593","0.0011","90","","103.735","0.002","90","","682.84","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 F O2 -","- C18 H13 F O2 -","- C36 H26 F2 O4 -","2","1","","Zhou, Peng; Wang, Jia-Yin; Zhang, Tian-Shu; Li, Guigen; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Thiazolium salt-catalyzed C-C triple bond cleavage for accessing substituted 1-naphthols via benzannulation.","Chemical communications (Cambridge, England)","2017","54","2","164","167","10.1039/c7cc08792f","","","0.71073","MoKα","","0.1019","0.0516","","","0.108","0.1241","","","","","","1.044","","","","has coordinates","228239","2020-10-21","18:00:00",""
"7120949","9.2479","0.0005","10.441","0.0005","9.4838","0.0005","90","","99.49","0.005","90","","903.2","0.08","109.1","","109.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C46 H40 O6 -","2","1","","Wang, Chang; Gao, Zhenzhen; Zhou, Leijie; Wang, Qijun; Wu, Yang; Yuan, Chunhao; Liao, Jianning; Xiao, Yumei; Guo, Hongchao","Multifunctional chiral phosphine-catalyzed [3+2] annulation of Morita-Baylis-Hillman carbonates with cyclopentenones: asymmetric synthesis of 4-oxo-hexahydropentalenes.","Chemical communications (Cambridge, England)","2018","54","3","279","282","10.1039/c7cc08380g","","","1.5418","CuKα","","0.0321","0.0317","","","0.0811","0.0815","","","","","","1.068","","","","has coordinates","228608","2020-10-21","18:00:00",""
"7120950","9.139","0.004","10.409","0.004","9.569","0.004","90","","99.93","0.006","90","","896.6","0.6","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Wang, Chang; Gao, Zhenzhen; Zhou, Leijie; Wang, Qijun; Wu, Yang; Yuan, Chunhao; Liao, Jianning; Xiao, Yumei; Guo, Hongchao","Multifunctional chiral phosphine-catalyzed [3+2] annulation of Morita-Baylis-Hillman carbonates with cyclopentenones: asymmetric synthesis of 4-oxo-hexahydropentalenes.","Chemical communications (Cambridge, England)","2018","54","3","279","282","10.1039/c7cc08380g","","","0.71073","MoKα","","0.0456","0.0435","","","0.0913","0.0926","","","","","","1.091","","","","has coordinates","228608","2020-10-21","18:00:00",""
"7120999","14.4864","0.0008","11.3225","0.0006","22.708","0.0011","90","","106.085","0.006","90","","3578.8","0.3","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H55 N O3 -","- C41 H55 N O3 -","- C164 H220 N4 O12 -","4","2","","Mou, Xue-Qing; Chen, Xiang-Yu; Chen, Gong; He, Gang","Radical-mediated intramolecular β-C(sp3)-H amidation of alkylimidates: facile synthesis of 1,2-amino alcohols.","Chemical communications (Cambridge, England)","2018","54","5","515","518","10.1039/c7cc08897c","","","0.71073","MoKα","","0.1028","0.0641","","","0.1216","0.1492","","","","","","1.027","","","","has coordinates","228151","2020-10-21","18:00:00",""
"7121018","11.217","0.002","10.2614","0.0018","14.346","0.003","90","","97.541","0.006","90","","1637","0.5","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 1","","","- C29 H35 N3 O13 U -","- C29 H35 N3 O13 U -","- C58 H70 N6 O26 U2 -","2","1","","Wang, Xia; Wang, Yanlong; Dai, Xing; Silver, Mark A.; Liu, Wei; Li, Yuxiang; Bai, Zhuanling; Gui, Daxiang; Chen, Lanhua; Diwu, Juan; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Phase transition triggered aggregation-induced emission in a photoluminescent uranyl-organic framework.","Chemical communications (Cambridge, England)","2018","54","6","627","630","10.1039/c7cc09594e","","","0.71073","MoKα","","0.0772","0.0506","","","0.1108","0.1207","","","","","","1.021","","","","has coordinates","228251","2020-10-21","18:00:00",""
"7121019","11.4098","0.0016","9.3291","0.0013","14.383","0.002","90","","96.391","0.004","90","","1521.5","0.4","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 2","","","- C23 H25.8 N O13.4 U -","- C21 H11 O10 U -","- C42 H22 O20 U2 -","2","1","","Wang, Xia; Wang, Yanlong; Dai, Xing; Silver, Mark A.; Liu, Wei; Li, Yuxiang; Bai, Zhuanling; Gui, Daxiang; Chen, Lanhua; Diwu, Juan; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Phase transition triggered aggregation-induced emission in a photoluminescent uranyl-organic framework.","Chemical communications (Cambridge, England)","2018","54","6","627","630","10.1039/c7cc09594e","","","0.71073","MoKα","","0.0674","0.0533","","","0.148","0.1554","","","","","","1.106","","","","has coordinates","228251","2020-10-21","18:00:00",""
"7121026","15.3354","0.0008","26.2108","0.0016","16.4415","0.001","90","","103.332","0.002","90","","6430.6","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H66 Cl4 Ni P4 -","- C76 H66 Cl4 Ni P4 -","- C304 H264 Cl16 Ni4 P16 -","4","2","","Shida, Naoki; Buss, Joshua A.; Agapie, Theodor","Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water.","Chemical communications (Cambridge, England)","2018","54","7","767","770","10.1039/c7cc09003j","","","0.71073","MoKα","","0.0709","0.0571","","","0.1283","0.1373","","","","","","1.043","","","","has coordinates","228400","2020-10-21","18:00:00",""
"7121112","8.88","0.006","14.563","0.009","10.658","0.01","90","","110.01","0.04","90","","1295.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Al2 Br2 N -","- C26 H35 Al2 Br2 N -","- C52 H70 Al4 Br4 N2 -","2","1","","Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger","Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.","Chemical communications (Cambridge, England)","2018","54","13","1639","1642","10.1039/c7cc09596a","","","0.71073","MoKα","","0.0861","0.0564","","","0.1061","0.1164","","","","","","1.008","","","","has coordinates","228386","2020-10-21","18:00:00",""
"7121133","10.3912","0.0007","5.6999","0.0003","12.8081","0.0009","90","","102.459","0.007","90","","740.74","0.08","293","2","293","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","km-t-ba-so","","- C16 H13 N O3 S2 -","- C16 H13 N O3 S2 -","- C32 H26 N2 O6 S4 -","2","1","","Mahato, Karuna; Arora, Neha; Ray Bagdi, Prasanta; Gattu, Radhakrishna; Ghosh, Siddhartha Sankar; Khan, Abu T.","An oxidative cross-coupling reaction of 4-hydroxydithiocoumarin and amines/thiols using a combination of I2 and TBHP: access to lead molecules for biomedical applications.","Chemical communications (Cambridge, England)","2018","54","12","1513","1516","10.1039/c7cc08502h","","x-ray","0.71073","MoKα","","0.0592","0.0464","","","0.0823","0.0948","","","","","","1.114","","","","has coordinates","228605","2020-10-21","18:00:00",""
"7121173","10.216","0.0001","14.1835","0.0002","10.6359","0.0001","90","","90.067","0.001","90","","1541.13","0.03","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H32 B Bi N6 O2 W -","- C30 H32 B Bi N6 O2 W -","- C60 H64 B2 Bi2 N12 O4 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh2)(CO)2(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","1.54184","CuKα","","0.0233","0.0221","","","0.0525","0.0532","","","","","","1.045","","","","has coordinates","228217","2020-10-21","18:00:00",""
"7121175","10.231","0.0003","14.2033","0.0004","10.5668","0.0004","90","","90.271","0.003","90","","1535.49","0.09","150","0.2","150","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H32 B Bi Mo N6 O2 -","- C30 H32 B Bi Mo N6 O2 -","- C60 H64 B2 Bi2 Mo2 N12 O4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh2)(CO)2(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","0.71073","MoKα","","0.0376","0.0322","","","0.0609","0.0637","","","","","","1.018","","","","has coordinates","228217","2020-10-21","18:00:00",""
"7121179","9.593","0.01","8","0.008","13.517","0.014","90","","103.143","0.019","90","","1010.2","1.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Cheng, Jian; Xie, Jin; Zhu, Chengjian","Relay photocatalytic cascade reactions: synthesis of indolo[2,1-a]isoquinoline derivatives via double C(sp3)-H bond functionalization.","Chemical communications (Cambridge, England)","2018","54","13","1655","1658","10.1039/c7cc09820k","","","0.71073","MoKα","","0.0476","0.0393","","","0.1159","0.1323","","","","","","1.093","","","","has coordinates","228385","2020-10-21","18:00:00",""
"7121213","13.7293","0.0009","20.0802","0.0014","16.8259","0.0011","90","","101.186","0.003","90","","4550.6","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75 H95 Cl9 N12 O32.5 -","- C75 H95 Cl9 N12 O32.5 -","- C150 H190 Cl18 N24 O65 -","2","1","","Ragab, Sherif S.; Kassir, Ahmad F.; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Cooperative 5- and 10-membered ring interactions in the 10-helix folding of oxetin homo-oligomers.","Chemical communications (Cambridge, England)","2018","54","16","1968","1971","10.1039/c7cc09964a","","x-ray","1.54178","CuKα","","0.0944","0.0864","","","0.2252","0.2316","","","","","","1.031","","","","has coordinates","228288","2020-10-21","18:00:00",""
"7121214","8.851","0.005","10.081","0.006","28.437","0.014","90","","91.989","0.015","90","","2536","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N3 O5 -","- C29 H29 N3 O5 -","- C116 H116 N12 O20 -","4","2","","Li, Nai-Kai; Fan, Wei-Tai; Zhang, Jun-Qi; Sun, Bing-Bing; Chen, Jun-Bo; Wang, Xing-Wang","Diastereodivergent synthesis of bispirooxindoles via asymmetric Friedel-Crafts/aldol cascade reaction: co-catalyst effects on diastereoselective outcomes.","Chemical communications (Cambridge, England)","2018","54","18","2260","2263","10.1039/c7cc09489b","","","0.71073","MoKα","","0.1351","0.0579","","","0.0935","0.1057","","","","","","1.17","","","","has coordinates","228447","2020-10-21","18:00:00",""
"7121240","9.652","0.005","9.262","0.004","10.579","0.005","90","","107.03","0.014","90","","904.3","0.7","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H19 N -","- C25 H19 N -","- C50 H38 N2 -","2","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","0.71073","MoKα","","0.0608","0.0449","","","0.0937","0.1009","","","","","","1.048","","","","has coordinates,has disorder","228448","2020-10-21","18:00:00",""
"7121251","9.99169","0.00011","14.13348","0.00014","13.64326","0.00015","90","","110.211","0.0012","90","","1808.03","0.04","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-(10-phenyl-10H-spiro[acridine-9,1'-indene]-2',3'-diyl)bis(5-methyl-2-phenylthiazole)","","- C47 H33 N3 S2 -","- C47 H33 N3 S2 -","- C94 H66 N6 S4 -","2","1","","Nakagawa, Tetsuya; Miyasaka, Yosuke; Yokoyama, Yasushi","Photochromism of a spiro-functionalized diarylethene derivative: multi-colour fluorescence modulation with a photon-quantitative photocyclization reactivity.","Chemical communications (Cambridge, England)","2018","54","26","3207","3210","10.1039/c8cc00566d","","","1.54184","CuKα","","0.0385","0.0373","","","0.0979","0.1005","","","","","","1.045","","","","has coordinates","228175","2020-10-21","18:00:00",""
"7121256","9.27904","0.00005","18.37857","0.00009","16.77742","0.00008","90","","104.276","0.0005","90","","2772.8","0.02","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H30 F N3 O3 S -","- C32 H30 F N3 O3 S -","- C128 H120 F4 N12 O12 S4 -","4","2","","Yu, Lemao; Zhong, Yuan; Yu, Jicong; Gan, Lu; Cai, Zhengjun; Wang, Rui; Jiang, Xianxing","Highly diastereoselective oxa-[3+3] cyclization with C,N-cyclic azomethine imines via the copper-catalyzed aerobic oxygenated C[double bond, length as m-dash]C bond of indoles.","Chemical communications (Cambridge, England)","2018","54","19","2353","2356","10.1039/c7cc09640b","","x-ray","1.54184","CuKα","","0.0351","0.0328","","","0.0857","0.0882","","","","","","1.049","","","","has coordinates","228260","2020-10-21","18:00:00",""
"7121257","8.6912","0.0005","27.8849","0.0016","11.428","0.0006","90","","94.876","0.005","90","","2759.6","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H30 Cl N3 O3 S -","- C32 H30 Cl N3 O3 S -","- C128 H120 Cl4 N12 O12 S4 -","4","2","","Yu, Lemao; Zhong, Yuan; Yu, Jicong; Gan, Lu; Cai, Zhengjun; Wang, Rui; Jiang, Xianxing","Highly diastereoselective oxa-[3+3] cyclization with C,N-cyclic azomethine imines via the copper-catalyzed aerobic oxygenated C[double bond, length as m-dash]C bond of indoles.","Chemical communications (Cambridge, England)","2018","54","19","2353","2356","10.1039/c7cc09640b","","x-ray","1.54184","CuKα","","0.0456","0.0427","","","0.1304","0.137","","","","","","1.105","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7121288","14.0718","0.0002","7.9328","0.0001","14.6162","0.0002","90","","92.868","0.001","90","","1629.54","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","1.54178","CuKα","","0.0726","0.0539","","","0.1152","0.128","","","","","","1.05","","","","has coordinates","228449","2020-10-21","18:00:00",""
"7121300","8.6468","0.0004","10.3139","0.0004","14.8549","0.001","90","","98.238","0.007","90","","1311.12","0.12","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N3 O4 S -","- C30 H25 N3 O4 S -","- C60 H50 N6 O8 S2 -","2","1","","Nakamura, Shuichi; Furukawa, Takashi; Hatanaka, Tsubasa; Funahashi, Yasuhiro","Enantioselective aza-Friedel-Crafts reaction of cyclic ketimines with indoles using chiral imidazoline-phosphoric acid catalysts.","Chemical communications (Cambridge, England)","2018","54","31","3811","3814","10.1039/c8cc00594j","","","0.71075","MoKα","","0.0488","0.0436","","","0.0972","0.0993","","","","","","1.072","","","","has coordinates","228423","2020-10-21","18:00:00",""
"7121304","5.8799","0.0002","29.0285","0.0009","9.8495","0.0003","90","","101.082","0.003","90","","1649.81","0.09","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 Br2 N2 O8 -","- C30 H40 Br2 N2 O8 -","- C60 H80 Br4 N4 O16 -","2","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R; Sanz-Marco, Amparo; Vila, Carlos","Enantioselective synthesis of chiral oxazolines from unactivated ketones and isocyanoacetate esters by synergistic silver/organocatalysis.","Chemical communications (Cambridge, England)","2018","54","23","2862","2865","10.1039/c8cc00856f","","","0.71073","MoKα","","0.1728","0.0673","","","0.0663","0.0929","","","","","","0.986","","","","has coordinates","228455","2020-10-21","18:00:00",""
"7121332","9.546","0.018","8.931","0.017","12.96","0.02","90","","107.93","0.02","90","","1051","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C40 H52 N4 O6 S2 -","2","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.1332","0.0558","","","0.0925","0.1174","","","","","","1.003","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121338","8.7349","0.0001","13.3687","0.0002","15.7886","0.0002","90","","104.319","0.002","90","","1786.43","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H46 Cu2 N6 O14 -","- C32 H46 Cu2 N6 O14 -","- C64 H92 Cu4 N12 O28 -","2","1","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.0408","0.0401","","","0.1089","0.1095","","","","","","1.037","","","","has coordinates","206679","2020-10-21","18:00:00",""
"7121385","11.2737","0.001","8.0033","0.0008","11.9357","0.001","90","","108.605","0.009","90","","1020.64","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-1-((4-bromophenyl)sulfonyl)-2-phenyl-2,3-dihydro-1H-benzo[g]indole","","- C24 H18 Br N O2 S -","- C24 H18 Br N O2 S -","- C48 H36 Br2 N2 O4 S2 -","2","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","0.71073","MoKα","","0.0763","0.0494","","","0.0838","0.0963","","","","","","1.065","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121400","12.6188","0.0004","5.81849","0.00017","15.3547","0.0004","90","","104.358","0.0018","90","","1092.17","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Br F3 O4 -","- C23 H20 Br F3 O4 -","- C46 H40 Br2 F6 O8 -","2","1","","Kano, Taichi; Maruyama, Hiroki; Homma, Chihiro; Maruoka, Keiji","Catalyst-controlled diastereoselectivity reversal in the formation of dihydropyrans.","Chemical communications (Cambridge, England)","2018","54","28","3496","3499","10.1039/C8CC01443D","","","1.54187","CuKα","","0.0467","0.0431","","","0.1086","0.116","","","","","","0.827","","","","has coordinates","227983","2020-10-21","18:00:00",""
"7121463","10.2","0.004","21.427","0.007","12.408","0.005","90","","101.29","0.005","90","","2659.4","1.7","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H22 Cl2 O3 -","- C32 H22 Cl2 O3 -","- C128 H88 Cl8 O12 -","4","2","","Fang, Xinqiang; Kong, Xiangwen; Liu, Jian; Yang, Shuang; Zeng, Min; Zhan, Xinyue; Li, Chunsen; Song, Jinshuai; Meng, Miao","Brønsted Base-Catalyzed Annulation of Allyl Ketones and Alkynyl 1,2-Diketones","Chemical Communications","2018","","","","","10.1039/C8CC01020J","","","0.71073","MoKα","","0.1667","0.0698","","","0.1272","0.1671","","","","","","0.993","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7121556","8.4454","0.0012","7.2057","0.001","10.9962","0.0016","90","","96.797","0.002","90","","664.47","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C28 H30 N2 O4 S2 -","2","1","","Yang, Fan; Chen, Jingchao; Shen, Guoli; Zhang, Xuexin; Fan, Baomin","Asymmetric transfer hydrogenation reactions of N-sulfonylimines by using alcohols as hydrogen sources.","Chemical communications (Cambridge, England)","2018","54","39","4963","4966","10.1039/c8cc01284a","","","0.71073","MoKα","","0.0278","0.0271","","","0.071","0.0714","","","","","","1.077","","","","has coordinates","228169","2020-10-21","18:00:00",""
"7121581","11.4355","0.0016","7.2184","0.0007","14.3262","0.0012","90","","92.092","0.01","90","","1181.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0562","0.0468","","","0.1277","0.1393","","","","","","1.074","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121599","7.0443","0.0003","24.124","0.001","11.1252","0.0004","90","","99.194","0.001","90","","1866.29","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","2","","Qiu, Yuanyou; Zhong, Jiaxin; Du, Shan; Gao, Shuanhu","Synthetic studies on daphniglaucins.","Chemical communications (Cambridge, England)","2018","54","44","5554","5557","10.1039/c8cc03063d","","","0.71073","MoKα","","0.0427","0.0338","","","0.0737","0.0796","","","","","","1.037","","","","has coordinates","228033","2020-10-21","18:00:00",""
"7121604","8.3304","0.0003","25.6709","0.0009","9.0341","0.0003","90","","115.043","0.002","90","","1750.31","0.11","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","AKY-630","","- C22 H21 O P -","- C22 H21 O P -","- C88 H84 O4 P4 -","4","2","","Kyri, A. W.; Gleim, F.; García Alcaraz, A; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","""Low-coordinate"" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.","Chemical communications (Cambridge, England)","2018","54","52","7123","7126","10.1039/c8cc02963f","","","0.71073","MoKα","","0.0373","0.0314","","","0.0739","0.0757","","","","","","0.972","","","","has coordinates","228191","2020-10-21","18:00:00",""
"7121611","7.8064","0.0013","14.381","0.003","8.4636","0.0015","90","","100.837","0.0019","90","","933.2","0.3","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 Cl4 Np O3 -","- C12 H24 Cl4 Np O3 -","- C24 H48 Cl8 Np2 O6 -","2","1","","Pattenaude, Scott A.; Anderson, Nickolas H.; Bart, Suzanne C.; Gaunt, Andrew J.; Scott, Brian L.","Non-aqueous neptunium and plutonium redox behaviour in THF - access to a rare Np(iii) synthetic precursor.","Chemical communications (Cambridge, England)","2018","54","48","6113","6116","10.1039/c8cc02611d","","","0.71073","MoKα","","0.0308","0.0266","","","0.0535","0.0546","","","","","","0.98","","","","has coordinates,has disorder","228356","2020-10-21","18:00:00",""
"7121618","9.0371","0.0006","8.0682","0.0004","16.2367","0.001","90","","103.107","0.006","90","","1153.03","0.12","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Cl2 N O3 S -","- C24 H23 Cl2 N O3 S -","- C48 H46 Cl4 N2 O6 S2 -","2","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0512","0.0501","","","0.1336","0.1354","","","","","","1.059","","","","has coordinates,has disorder","228027","2020-10-21","18:00:00",""
"7121621","12.3854","0.0003","8.06169","0.00018","23.0268","0.0005","90","","94.441","0.002","90","","2292.26","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C104 H108 N4 O12 S4 -","4","2","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0338","0.0333","","","0.0869","0.0872","","","","","","1.044","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121622","15.72773","0.00019","8.01122","0.00007","18.9065","0.0003","90","","111.479","0.0015","90","","2216.75","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.5 H26.5 N O3 S2 -","- C22 H23 N O3 S2 -","- C88 H92 N4 O12 S8 -","4","2","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0368","0.0354","","","0.0914","0.093","","","","","","1.033","","","","has coordinates,has disorder","228027","2020-10-21","18:00:00",""
"7121665","9.435","0.002","27.598","0.006","10.589","0.003","90","","105.636","0.014","90","","2655.2","1.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H49 B F20 Mg N4 O2 -","- C53 H49 B F20 Mg N4 O2 -","- C106 H98 B2 F40 Mg2 N8 O4 -","2","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex; Venugopal, Ajay","A disguised hydride in a butylmagnesium cation.","Chemical communications (Cambridge, England)","2018","54","45","5788","5791","10.1039/c8cc03127d","","","0.71073","MoKα","","0.1136","0.0574","","","0.1264","0.1488","","","","","","0.945","","","","has coordinates","228517","2020-10-21","18:00:00",""
"7121696","13.257","0.004","8.073","0.002","13.405","0.003","90","","104.92","0.03","90","","1386.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H20 B2 N2 O S2 -","- C28 H20 B2 N2 O S2 -","- C56 H40 B4 N4 O2 S4 -","2","1","","Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang","Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.","Chemical communications (Cambridge, England)","2018","54","59","8178","8181","10.1039/c8cc01748d","","","0.71073","MoKα","","0.1382","0.1045","","","0.2953","0.3326","","","","","","1.212","","","","has coordinates,has disorder","228554","2020-10-21","18:00:00",""
"7121713","8.872","0.002","9.054","0.003","13.255","0.004","90","","102.344","0.006","90","","1040.1","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Cu3 O15 P2 -","- C14 H18 Cu3 O15 P2 -","- C28 H36 Cu6 O30 P4 -","2","1","","Wang, Peng-Fei; Bao, Song-Song; Huang, Xin-Da; Akutagawa, T.; Zheng, Li-Min","Temperature controlled formation of polar copper phosphonates showing large dielectric anisotropy and a dehydration-induced switch from ferromagnetic to antiferromagnetic interactions.","Chemical communications (Cambridge, England)","2018","54","49","6276","6279","10.1039/c8cc02819b","","","0.71073","MoKα","","0.0323","0.0256","","","0.0549","0.0565","","","","","","1","","","","has coordinates","228498","2020-10-21","18:00:00",""
"7121765","8.5141","0.0019","7.7265","0.0017","22.836","0.005","90","","94.095","0.003","90","","1498.4","0.6","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka","Enantioselective total synthesis of sagittacin E and related natural products.","Chemical communications (Cambridge, England)","2018","54","48","6165","6168","10.1039/c8cc03438a","","","0.71073","MoKα","","0.0445","0.04","","","0.0984","0.1012","","","","","","1.048","","","","has coordinates,has disorder","228353","2020-10-21","18:00:00",""
"7121770","15.3831","0.0008","35.7449","0.0018","16.8107","0.0008","90","","94.964","0.003","90","","9209","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C108 H187 Cu7 N30 O96 P4 -","- C108 H95 Cu7 N28 O48 P4 -","- C216 H190 Cu14 N56 O96 P8 -","2","1","","Bruno, Rosaria; Marino, Nadia; Bartella, Lucia; Di Donna, Leonardo; De Munno, Giovanni; Pardo, Emilio; Armentano, Donatella","Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.","Chemical communications (Cambridge, England)","2018","54","49","6356","6359","10.1039/c8cc03544j","","","0.71073","MoKα","","0.0923","0.0666","","","0.1639","0.1751","","","","","","0.968","","","","has coordinates","228500","2020-10-21","18:00:00",""
"7121771","15.2378","0.0011","35.525","0.003","16.7521","0.0012","90","","95.389","0.003","90","","9028.2","1.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H172 Cu7 N31 O89 P4 -","- C112 H95 Cu7 N28 O49 P4 -","- C224 H190 Cu14 N56 O98 P8 -","2","1","","Bruno, Rosaria; Marino, Nadia; Bartella, Lucia; Di Donna, Leonardo; De Munno, Giovanni; Pardo, Emilio; Armentano, Donatella","Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.","Chemical communications (Cambridge, England)","2018","54","49","6356","6359","10.1039/c8cc03544j","","","0.71073","MoKα","","0.0912","0.0727","","","0.1932","0.2042","","","","","","1.053","","","","has coordinates","228500","2020-10-21","18:00:00",""
"7121839","9.955","0.003","5.5629","0.0019","12.732","0.004","90","","92.902","0.009","90","","704.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C28 H32 N4 O4 S2 -","2","1","","Wang, Miao; Tang, Bo-Cheng; Wang, Jun-Gang; Xiang, Jia-Chen; Guan, Ao-Yu; Huang, Ping-Ping; Guo, Wu-Yinzheng; Wu, Yan-Dong; Wu, An-Xin","The triple role of rongalite in aminosulfonylation of aryldiazonium tetrafluoroborates: synthesis of N-aminosulfonamides via a radical coupling reaction.","Chemical communications (Cambridge, England)","2018","54","55","7641","7644","10.1039/c8cc03778g","","","0.71073","MoKα","","0.1102","0.0975","","","0.2489","0.291","","","","","","1.243","","","","has coordinates","228059","2020-10-21","18:00:00",""
"7121840","7.69761","0.00017","12.2794","0.0002","8.18769","0.00018","90","","110.677","0.003","90","","724.07","0.03","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Shu, Tao; Li, Sun; Chen, Xiang-Yu; Liu, Qiang; von Essen, Carolina; Rissanen, Kari; Enders, Dieter","Asymmetric synthesis of functionalized tetrahydrofluorenones via an NHC-catalyzed homoenolate Michael addition.","Chemical communications (Cambridge, England)","2018","54","55","7661","7664","10.1039/c8cc04145h","","x-ray","1.54184","CuKα","","0.042","0.0414","","","0.1064","0.1076","","","","","","1.031","","","","has coordinates","228058","2020-10-21","18:00:00",""
"7121893","12.0057","0.0017","8.9498","0.0011","15.48","0.002","90","","106.694","0.003","90","","1593.2","0.4","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H51 N3 Si -","- C33 H51 N3 Si -","- C66 H102 N6 Si2 -","2","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71075","MoKα","","0.0344","0.0332","","","0.092","0.0925","","","","","","1.064","","","","has coordinates,has disorder","228117","2020-10-21","18:00:00",""
"7121961","12.8719","0.0002","24.3507","0.0004","13.4375","0.0002","90","","118.609","0.001","90","","3697.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H100 Eu4 N4 O4 -","- C64 H100 Eu4 N4 O4 -","- C128 H200 Eu8 N8 O8 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0247","0.0218","","","0.0467","0.0473","","","","","","1.048","","","","has coordinates","228229","2020-10-21","18:00:00",""
"7121971","16.5417","0.0004","9.9989","0.0002","20.3707","0.0005","90","","92.563","0.001","90","","3365.92","0.13","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H78 B4 F16 N10 Ni2 O4 -","- C62 H78 B4 F16 N10 Ni2 O4 -","- C124 H156 B8 F32 N20 Ni4 O8 -","2","1","","Shen, Junyu; Wang, Mei; He, Tianhao; Jiang, Jian; Hu, Maowei","Influence of the backbone of N5-pentadentate ligands on the catalytic performance of Ni(ii) complexes for electrochemical water oxidation in neutral aqueous solutions.","Chemical communications (Cambridge, England)","2018","54","65","9019","9022","10.1039/c8cc04302g","","","0.71073","MoKα","","0.0826","0.0624","","","0.1561","0.1699","","","","","","1.025","","","","has coordinates","228539","2020-10-21","18:00:00",""
"7121983","5.71336","0.00013","14.1891","0.0003","12.7481","0.0003","90","","97.421","0.002","90","","1024.8","0.04","137","","137","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br N O4 -","- C24 H20 Br N O4 -","- C48 H40 Br2 N2 O8 -","2","1","","Liu, Wen; Cao, Weidi; Hu, Haipeng; Lin, Lili; Feng, Xiaoming","Dynamic kinetic asymmetric transformations of β-halo-α-keto esters by N,N'-dioxide/Ni(ii)-catalyzed carbonyl-ene reaction.","Chemical communications (Cambridge, England)","2018","54","64","8901","8904","10.1039/c8cc04993a","","x-ray","1.54184","CuKα","","0.0447","0.0444","","","0.1105","0.1111","","","","","","1.061","","","","has coordinates","228235","2020-10-21","18:00:00",""
"7122031","22.3404","0.0015","20.5472","0.001","23.5734","0.0015","90","","109.786","0.001","90","","10182.1","1.1","100","2","99.97","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 Ag Al F36 O4 -","- C40 H36 Ag Al F36 O4 -","- C320 H288 Ag8 Al8 F288 O32 -","8","4","","Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo","Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.","Chemical communications (Cambridge, England)","2018","54","72","10036","10039","10.1039/c8cc04690e","","","0.71073","MoKα","","0.0845","0.0696","","","0.186","0.201","","","","","","1.026","","","","has coordinates,has disorder","228412","2020-10-21","18:00:00",""
"7122032","10.6026","0.0006","17.5964","0.0011","11.1567","0.0006","90","","113.373","0.003","90","","1910.7","0.2","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H12 Al F36 In O4 -","- C25 H12 Al F36 In O4 -","- C50 H24 Al2 F72 In2 O8 -","2","1","","Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo","Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.","Chemical communications (Cambridge, England)","2018","54","72","10036","10039","10.1039/c8cc04690e","","x-ray","0.71073","MoKα","","0.0456","0.0414","","","0.0991","0.1008","","","","","","1.05","","","","has coordinates","228412","2020-10-21","18:00:00",""
"7122068","12.8484","0.0012","6.1584","0.0006","13.6137","0.0013","90","","97.415","0.004","90","","1068.18","0.18","296","2","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","","Wu, Xiang; Chen, Shu-Sen; Zhang, Ling; Wang, Hai-Jun; Gong, Liu-Zhu","Palladium-catalyzed enantioselective carboannulation of 1,3-dienes with aryl iodides enables access to chiral indanes.","Chemical communications (Cambridge, England)","2018","54","69","9595","9598","10.1039/c8cc04641g","","","1.54178","CuKα","","0.0421","0.0387","","","0.0911","0.0942","","","","","","1.106","","","","has coordinates","228209","2020-10-21","18:00:00",""
"7122069","9.8509","0.0003","13.4787","0.0004","22.2482","0.0007","90","","96.124","0.002","90","","2937.2","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H59 N4 O8 -","- C76 H59 N4 O8 -","- C152 H118 N8 O16 -","2","1","","Ling, Zheng; Xie, Fang; Gridnev, Ilya D.; Terada, Masahiro; Zhang, Wanbin","Cu-Catalyzed switchable synthesis of functionalized pyridines and pyrroles.","Chemical communications (Cambridge, England)","2018","54","68","9446","9449","10.1039/c8cc05307c","","","1.54178","CuKα","","0.1109","0.096","","","0.2505","0.2761","","","","","","1.035","","","","has coordinates","228512","2020-10-21","18:00:00",""
"7122108","8.3653","0.0002","35.4662","0.0005","10.0227","0.0002","90","","93.23","0.002","90","","2968.86","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H62 O8 P4 Pd2 -","- C48 H62 O8 P4 Pd2 -","- C96 H124 O16 P8 Pd4 -","2","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0446","0.0343","","","0.0721","0.0757","","","","","","1.024","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122111","10.08802","0.00015","12.8237","0.0002","11.49841","0.00014","90","","94.1533","0.0013","90","","1483.59","0.04","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O4 P2 Pd -","- C27 H33 Br O4 P2 Pd -","- C54 H66 Br2 O8 P4 Pd2 -","2","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0371","0.0315","","","0.0784","0.0818","","","","","","1.024","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122113","9.9564","0.0003","12.8239","0.0005","11.6231","0.0004","90","","93.421","0.003","90","","1481.39","0.09","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 P2 Pd S -","- C27 H34 O4 P2 Pd S -","- C54 H68 O8 P4 Pd2 S2 -","2","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0637","0.0673","","","","","","1.064","","","","has coordinates,has disorder","228414","2020-10-21","18:00:00",""
"7122116","7.0818","0.0002","34.0727","0.0011","8.0223","0.0015","90","","105.239","0.002","90","","1867.7","0.4","163","2","163","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","(1R,3aS,9aS)-1-Azido-2-((tert-butyldimethylsilyl)oxy)-1,3a,4,9a-tetrahydro-5H-cyclopenta[e]pyrrolo[1,2-a]pyrazin-5-one","","- C32 H46 Br2 N4 O4 Si2 -","- C32 H46 Br2 N4 O4 Si2 -","- C64 H92 Br4 N8 O8 Si4 -","2","1","","Tsuchimochi, Izuru; Kitamura, Yuta; Aoyama, Hiroshi; Akai, Shuji; Nakai, Keiyo; Yoshimitsu, Takehiko","Total synthesis of (-)-agelastatin A: an SH2' radical azidation strategy.","Chemical communications (Cambridge, England)","2018","54","71","9893","9896","10.1039/c8cc05697h","","x-ray","1.54178","CuKα","","0.1839","0.0987","","","0.2276","0.3234","","","","","","1.091","","","","has coordinates","228272","2020-10-21","18:00:00",""
"7122187","16.42491","0.00019","18.47453","0.00019","20.7026","0.0003","90","","108.584","0.0014","90","","5954.49","0.14","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C150 H132 O18 -","- C150 H132 O18 -","- C300 H264 O36 -","2","1","","Zhao, Peng; Wu, Simeng; Ke, Chaoqi; Liu, Xiaohua; Feng, Xiaoming","Chiral Lewis acid-catalyzed enantioselective cyclopropanation and C-H insertion reactions of vinyl ketones with α-diazoesters.","Chemical communications (Cambridge, England)","2018","54","70","9837","9840","10.1039/c8cc05420g","","x-ray","1.54184","CuKα","","0.0629","0.0524","","","0.1333","0.1437","","","","","","1.024","","","","has coordinates","228018","2020-10-21","18:00:00",""
"7122188","9.7057","0.0002","10.031","0.0003","14.8723","0.0004","90","","97.782","0.003","90","","1434.6","0.07","299.1","0.3","299.1","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C64 H60 N4 O8 S2 -","2","1","","Zhao, Peng; Wu, Simeng; Ke, Chaoqi; Liu, Xiaohua; Feng, Xiaoming","Chiral Lewis acid-catalyzed enantioselective cyclopropanation and C-H insertion reactions of vinyl ketones with α-diazoesters.","Chemical communications (Cambridge, England)","2018","54","70","9837","9840","10.1039/c8cc05420g","","x-ray","1.54184","CuKα","","0.0598","0.0557","","","0.1466","0.1516","","","","","","1.054","","","","has coordinates","228018","2020-10-21","18:00:00",""
"7122203","8.9283","0.0004","13.9637","0.0006","18.7435","0.0008","90","","101.484","0.001","90","","2290.01","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H56 N10 O14 S2 -","- C40 H56 N10 O14 S2 -","- C80 H112 N20 O28 S4 -","2","1","","Williams, Neil J.; Seipp, Charles A.; Garrabrant, Kathleen A.; Custelcean, Radu; Holguin, Erick; Keum, Jong K.; Ellis, Ross J.; Moyer, Bruce A.","Surprisingly selective sulfate extraction by a simple monofunctional di(imino)guanidinium micelle-forming anion receptor.","Chemical communications (Cambridge, England)","2018","54","72","10048","10051","10.1039/c8cc05115a","","","0.71073","MoKα","","0.0526","0.0474","","","0.1132","0.1182","","","","","","1.041","","","","has coordinates","228411","2020-10-21","18:00:00",""
"7122210","8.2648","0.0002","10.1169","0.0002","10.9096","0.0003","90","","106.079","0.003","90","","876.51","0.04","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of five-membered cyclic nitrones based on the Lewis acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes with 1,4,2-dioxazoles.","Chemical communications (Cambridge, England)","2018","54","72","10128","10131","10.1039/c8cc04656e","","","1.54184","CuKα","","0.0286","0.0283","","","0.0741","0.0747","","","","","","1.067","","","","has coordinates","228408","2020-10-21","18:00:00",""
"7122215","11.747","0.005","20.28","0.004","20.734","0.008","90","","94.11","0.03","90","","4927","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H72 La2 Si6 -","- C42 H72 La2 Si6 -","- C168 H288 La8 Si24 -","4","2","","Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","The ""Wanderlust"" of Me3Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.","Chemical communications (Cambridge, England)","2018","54","73","10280","10283","10.1039/c8cc05317k","","","0.71073","MoKα","","0.0496","0.0476","","","0.1299","0.1331","","","","","","0.876","","","","has coordinates","228048","2020-10-21","18:00:00",""
"7122225","11.5709","0.0007","7.9832","0.0004","17.4107","0.0011","90","","105.455","0.006","90","","1550.12","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 N O6 S -","- C34 H31 N O6 S -","- C68 H62 N2 O12 S2 -","2","1","","Zhong, Xia; Tang, Qiong; Zhou, Pengfei; Zhong, Ziwei; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of polysubstituted methylenecyclobutanes via catalytic [2+2] cycloaddition reactions of N-allenamides.","Chemical communications (Cambridge, England)","2018","54","74","10511","10514","10.1039/c8cc06416d","","x-ray","0.71073","MoKα","","0.0887","0.0632","","","0.147","0.172","","","","","","1.054","","","","has coordinates","228199","2020-10-21","18:00:00",""
"7122238","10.6779","0.0005","20.1665","0.0009","15.5021","0.0008","90","","103.346","0.0019","90","","3248","0.3","150","2","149.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 Dy1.45 K6 N2 O63.75 Si W11 -","- C13 Dy1.45 K6 N2 O63.75 Si W11 -","- C26 Dy2.9 K12 N4 O127.5 Si2 W22 -","2","1","","Arab Fashapoyeh, Marzieh; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Rajagopal, Ashwene; Lechner, Manuel; Liu, Rongji; Streb, Carsten","Photochemical and electrochemical hydrogen evolution reactivity of lanthanide-functionalized polyoxotungstates.","Chemical communications (Cambridge, England)","2018","54","74","10427","10430","10.1039/c8cc06334f","","","0.71073","MoKα","","0.0291","0.0262","","","0.0633","0.0652","","","","","","1.078","","","","has coordinates,has disorder","228204","2020-10-21","18:00:00",""
"7122267","10.5588","0.0002","11.2682","0.0002","12.194","0.0002","90","","90.698","0.002","90","","1450.72","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 F3 N4 O3 -","- C32 H29 F3 N4 O3 -","- C64 H58 F6 N8 O6 -","2","1","","Li, Shi-Wu; Kang, Qiang","Catalytic asymmetric synthesis of diphenylbutazone analogues.","Chemical communications (Cambridge, England)","2018","54","74","10479","10482","10.1039/c8cc06426a","","","1.54184","CuKα","","0.0311","0.0295","","","0.0792","0.0812","","","","","","0.927","","","","has coordinates","228206","2020-10-21","18:00:00",""
"7122277","23.5972","0.0019","14.6704","0.001","26.824","0.002","90","","104.411","0.005","90","","8993.8","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H66 K2 N4 O12 -","- C40 H66 K2 N4 O12 -","- C320 H528 K16 N32 O96 -","8","4","","Majumdar, Moumita; Raut, Ravindra K.; Sahoo, Padmini; Kumar, Vikas","Bis(chlorogermyliumylidene) and its significant role in elusive reductive cyclization.","Chemical communications (Cambridge, England)","2018","54","77","10839","10842","10.1039/c8cc06067c","","","1.54184","CuKα","","0.3799","0.1133","","","0.1338","0.1936","","","","","","0.992","","","","has coordinates","228066","2020-10-21","18:00:00",""
"7122278","18.049","0.004","5.593","0.001","18.384","0.004","90","","92.36","0.03","90","","1854.3","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H8.67 F4 I N O2.67 -","- C10 H8.66667 F4 I N O2.66667 -","- C60 H52 F24 I6 N6 O16 -","6","3","","Bergamaschi, Greta; Lascialfari, Luisa; Pizzi, Andrea; Martinez Espinoza, Maria Isabel; Demitri, Nicola; Milani, Alberto; Gori, Alessandro; Metrangolo, Pierangelo","A halogen bond-donor amino acid for organocatalysis in water.","Chemical communications (Cambridge, England)","2018","54","76","10718","10721","10.1039/c8cc06010j","","","0.7","Synchrotron","","0.1259","0.0983","","","0.2614","0.2826","","","","","","1.04","","","","has coordinates","228144","2020-10-21","18:00:00",""
"7122280","10.6644","0.0011","20.483","0.002","17.7085","0.0018","90","","104.649","0.001","90","","3742.5","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H112 O6 Se2 U -","- C78 H112 O6 Se2 U -","- C156 H224 O12 Se4 U2 -","2","1","","Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Vilanova, Sean P.; Kelley, Stephen P.; Lukens, Wayne W.; Walensky, Justin R.","Structure and properties of [(4,6-tBu2C6H2O)2Se]2An(THF)2, An = U, Np, and their reaction with p-benzoquinone.","Chemical communications (Cambridge, England)","2018","54","74","10435","10438","10.1039/c8cc05244a","","","0.71073","MoKα","","0.0376","0.0298","","","0.0582","0.0609","","","","","","0.868","","","","has coordinates,has disorder","228202","2020-10-21","18:00:00",""
"7122281","17.578","0.0012","20.5093","0.0015","21.1111","0.0015","90","","104.991","0.001","90","","7351.8","0.9","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H112 Np O6 Se2 -","- C78 H112 Np O6 Se2 -","- C312 H448 Np4 O24 Se8 -","4","2","","Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Vilanova, Sean P.; Kelley, Stephen P.; Lukens, Wayne W.; Walensky, Justin R.","Structure and properties of [(4,6-tBu2C6H2O)2Se]2An(THF)2, An = U, Np, and their reaction with p-benzoquinone.","Chemical communications (Cambridge, England)","2018","54","74","10435","10438","10.1039/c8cc05244a","","","0.71073","MoKα","","0.1101","0.0722","","","0.1089","0.1193","","","","","","1.145","","","","has coordinates,has disorder","228202","2020-10-21","18:00:00",""
"7122312","6.3692","0.0003","11.6771","0.0004","17.1077","0.0006","90","","98.496","0.004","90","","1258.4","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H28 Cl4 N4 O4 Zn2 -","- C16 H28 Cl4 N4 O4 Zn2 -","- C32 H56 Cl8 N8 O8 Zn4 -","2","1","","Shemchuk, Oleksii; Song, Lixing; Robeyns, Koen; Braga, Dario; Grepioni, Fabrizia; Leyssens, Tom","Solid-state chiral resolution mediated by stoichiometry: crystallizing etiracetam with ZnCl2.","Chemical communications (Cambridge, England)","2018","54","77","10890","10892","10.1039/c8cc06199h","","x-ray","0.71073","MoKα","","0.0516","0.0435","","","0.088","0.0922","","","","","","1.001","","","","has coordinates","228074","2020-10-21","18:00:00",""
"7122398","13.08","0.008","5.727","0.004","14.056","0.008","90","","113.482","0.012","90","","965.7","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H17 Br N2 O -","- C24 H17 Br N2 O -","- C48 H34 Br2 N4 O2 -","2","1","","Li, Ling; Liu, Zhen-Ting; Hu, Xiang-Ping","Copper-catalyzed propargylic [3+3] cycloaddition with 1H-pyrazol-5(4H)-ones: enantioselective access to optically active dihydropyrano[2,3-c]pyrazoles.","Chemical communications (Cambridge, England)","2018","54","85","12033","12036","10.1039/c8cc05706k","","","0.71073","MoKα","","0.0583","0.0441","","","0.1002","0.1083","","","","","","1.06","","","","has coordinates","228376","2020-10-21","18:00:00",""
"7122416","13.093","0.002","7.5118","0.0013","14.149","0.002","90","","91.872","0.002","90","","1390.8","0.4","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","2","","Yoshida, Taira; Mori, Keiji","Expeditious synthesis of multisubstituted indoles via multiple hydrogen transfers.","Chemical communications (Cambridge, England)","2018","54","90","12686","12689","10.1039/c8cc07009a","","","0.71073","MoKα","","0.068","0.0474","","","0.0909","0.0998","","","","","","1.004","","","","has coordinates","228319","2020-10-21","18:00:00",""
"7122457","20.73104","0.00017","15.56761","0.00012","24.0468","0.0002","90","","103.086","0.0009","90","","7559.15","0.11","140.2","0.2","140.2","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H74 F12 N8 O13 S4 Zn -","- C50 H74 F12 N8 O13 S4 Zn -","- C200 H296 F48 N32 O52 S16 Zn4 -","4","2","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","","1.54184","CuKα","","0.0688","0.0633","","","0.1708","0.1774","","","","","","1.03","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122464","13.2268","0.0008","6.9147","0.0004","33.035","0.002","90","","99.015","0.003","90","","2984","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.08 H23.17 Cl3.17 O5 -","- C33.25 H21.5 Cl1.5 O5 -","- C133 H86 Cl6 O20 -","4","2","","Chen, Yi-Ru; Ganapuram, Madhusudhan Reddy; Hsieh, Kai-Hong; Chen, Kai-Han; Karanam, Praneeth; Vagh, Sandip Sambhaji; Liou, Yan-Cheng; Lin, Wenwei","3-Homoacyl coumarin: an all carbon 1,3-dipole for enantioselective concerted (3+2) cycloaddition.","Chemical communications (Cambridge, England)","2018","54","90","12702","12705","10.1039/c8cc07271j","","","0.71073","MoKα","","0.0979","0.0734","","","0.2069","0.2294","","","","","","1.092","","","","has coordinates,has disorder","228320","2020-10-21","18:00:00",""
"7122523","7.6832","0.0002","7.5202","0.0003","11.6492","0.0004","90","","91.533","0.003","90","","672.84","0.04","294","2","294","2","","","","","","","synthetic","3","P 1 21 1","P 2yb","4","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C14 H16 O5 -","- C14 H16 O5 -","- C28 H32 O10 -","2","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0411","0.0387","","","0.0961","0.098","","","","","","1.063","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122525","10.819","0.002","14.713","0.003","30.167","0.006","90","","96.24","0.03","90","","4773.5","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H70 N6 O10 -","- C48 H70 N6 O10 -","- C192 H280 N24 O40 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based N-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0674","0.061","","","0.1517","0.1566","","","","","","1.042","","","","has coordinates","230143","2020-10-21","18:00:00",""
"7122526","10.6401","0.0009","13.1077","0.0013","11.089","0.0011","90","","111.31","0.004","90","","1440.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(1R,2E,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylidene]-2-furohydrazide (-)","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based N-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.71073","MoKα","","0.0922","0.0469","","","0.1024","0.1221","","","","","","1.008","","","","has coordinates","230143","2020-10-21","18:00:00",""
"7122527","10.949","0.002","15.752","0.003","31.273","0.006","90","","98.92","0.03","90","","5328.4","1.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H74 N6 O8 -","- C58 H74 N6 O8 -","- C232 H296 N24 O32 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based N-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0975","0.0751","","","0.1601","0.1779","","","","","","1.012","","","","has coordinates","230143","2020-10-21","18:00:00",""
"7122528","11.0336","0.0006","14.8166","0.0008","15.2675","0.0008","90","","96.44","0.001","90","","2480.2","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro[(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-methylethyl)-oxazole]gold(I)","","- C52 H54 Au2 Cl2 N2 O2 P2 -","- C52 H56 Au2 Cl2 N2 O2 P2 -","- C104 H112 Au4 Cl4 N4 O4 P4 -","2","1","","Tabey, Alexis; Berlande, Murielle; Hermange, Philippe; Fouquet, Eric","Mechanistic and asymmetric investigations of the Au-catalysed cross-coupling between aryldiazonium salts and arylboronic acids using (P,N) gold complexes.","Chemical communications (Cambridge, England)","2018","54","91","12867","12870","10.1039/c8cc07530a","","","0.71073","MoKα","","0.0232","0.0188","","","0.0379","0.0391","","","","","","1.003","","","","has coordinates","228469","2020-10-21","18:00:00",""
"7122537","10.901","0.002","6.2481","0.0011","13.318","0.002","90","","98.052","0.004","90","","898.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C40 H40 Br2 N2 O4 -","2","1","","Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.","Chemical communications (Cambridge, England)","2018","54","93","13143","13146","10.1039/c8cc07996j","","","0.71073","MoKα","","0.0562","0.0436","","","0.0895","0.0945","","","","","","0.976","","","","has coordinates","228132","2020-10-21","18:00:00",""
"7122579","6.9872","0.0005","15.5151","0.001","19.425","0.0013","90","","98.467","0.002","90","","2082.9","0.2","136","2","136","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.19048 H3.19048 N0.190476 O0.190476 -","- C92 H134 N8 O8 -","42","21","","Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang","Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives.","MedChemComm","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0671","0.0484","","","0.1098","0.1195","","","","","","1.027","","","","has coordinates","230144","2020-10-21","18:00:00",""
"7122580","10.3659","0.0009","7.0531","0.0006","16.9815","0.0015","90","","92.543","0.002","90","","1240.32","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 -","- C25 H37 N3 O5 -","- C50 H74 N6 O10 -","2","1","","Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang","Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives.","MedChemComm","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0542","0.0443","","","0.1109","0.1165","","","","","","1.048","","","","has coordinates","230144","2020-10-21","18:00:00",""
"7122583","11.506","0.01","4.84","0.008","16.85","0.02","90","","103.13","0.07","90","","914","2","300","2","300","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","","1.54178","CuKα","","0.0696","0.0556","","","0.1365","0.1477","","","","","","1.089","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122640","9.892","0.0007","6.7802","0.0004","11.6465","0.0008","90","","90.292","0.008","90","","781.12","0.09","295.26","0.1","295.26","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Zhu, Shi-Ya; Zhang, Hua; Ma, Qing-Wei; Liu, Dou; Hui, Xin-Ping","Oxidative NHCs catalysis: direct activation of β sp3 carbons of saturated acid chlorides","Chemical Communications","2018","","","","","10.1039/C8CC08578A","","","0.7107","MoKα","","0.0799","0.05","","","0.0911","0.1128","","","","","","1.041","","","","has coordinates","212182","2020-10-21","18:00:00",""
"7122704","11.403","0.0005","7.0095","0.0003","12.9123","0.0006","90","","91.0273","0.0013","90","","1031.91","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O S -","- C24 H22 N2 O S -","- C48 H44 N4 O2 S2 -","2","1","","Han, Jianwei; Zhang, Yanxia; Wu, Xin-Yan; Wong, Henry N. C.","Chiral Iminophosphorane Catalyzed Asymmetric Sulfenylation of 4-Substituted Pyrazolones","Chemical Communications","2018","","","","","10.1039/C8CC09049A","","","0.71073","MoKα","","0.0355","0.0307","","","0.0882","0.0945","","","","","","1.021","","","","has coordinates","212417","2020-10-21","18:00:00",""
"7122705","10.2478","0.0002","8.1523","0.0002","28.2987","0.0006","90","","93.481","0.001","90","","2359.8","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C116 H96 N8 O8 S4 -","4","2","","Han, Jianwei; Zhang, Yanxia; Wu, Xin-Yan; Wong, Henry N. C.","Chiral Iminophosphorane Catalyzed Asymmetric Sulfenylation of 4-Substituted Pyrazolones","Chemical Communications","2018","","","","","10.1039/C8CC09049A","","","0.71073","MoKα","","0.0415","0.037","","","0.0945","0.0986","","","","","","1.037","","","","has coordinates","212417","2020-10-21","18:00:00",""
"7122757","8.5924","0.0005","17.7287","0.0009","13.3203","0.0007","90","","107.246","0.007","90","","1937.9","0.2","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H48 N8 O8 Pt2 -","- C40 H48 N8 O8 Pt2 -","- C80 H96 N16 O16 Pt4 -","2","1","","Dutta, Pradip; Sharma, Rupali; Kumari, Smita; Dubey, Ravindra Dhar; Sarkar, Sujit; Jhonpeter, Justin; vijaykumar, gonela; Pandey, Manoj; Sravanti, L.; Samarla, M.; Das, Hari Sankar; S, Yashpal; B, Heeralal; Goyal, Ravinder; Gupta, Nimish; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","A Safe and Efficacious Pt(II) Anticancer Prodrug: Design, Synthesis, In-vitro Efficacy, Role of Carrier Ligand and In-vivo Tumour Growth Inhibition","Chemical Communications","2018","","","","","10.1039/C8CC06586A","","x-ray","1.54184","CuKα","","0.087","0.081","","","0.2074","0.2135","","","","","","1.044","","","","has coordinates","212695","2020-10-21","18:00:00",""
"7122782","12.9679","0.0006","15.1211","0.0008","14.4514","0.0007","90","","111.898","0.001","90","","2629.3","0.2","297.73","","297.73","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H45 N15 Ni O8 -","- C58 H45 N15 Ni O8 -","- C116 H90 N30 Ni2 O16 -","2","1","","Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa","Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks","Chemical Communications","2019","","","","","10.1039/C8CC09152H","","","0.71073","MoKα","","0.1446","0.0721","","","0.1241","0.1471","","","","","","1.013","","","","has coordinates","212901","2020-10-21","18:00:00",""
"7122834","9.4201","0.0016","13.601","0.002","10.951","0.0018","90","","109.325","0.008","90","","1324","0.4","170","","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H27 N5 O7 -","- C29 H27 N5 O7 -","- C58 H54 N10 O14 -","2","1","","Caltagirone, Claudia; Montis, Riccardo; Lippolis, Vito; Bencini, Andrea; Conti, Luca; Giorgi, Claudia; Horton, Peter; Coles, Simon; Mapp, Lucy K.; Gale, Philip A.; Fusaro, Luca","Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition","Chemical Communications","2019","","","","","10.1039/C8CC09962F","","x-ray","0.71075","MoKα","","0.1223","0.0634","","","0.1032","0.1204","","","","","","1.027","","","","has coordinates","213054","2020-10-21","18:00:00",""
"7122836","19.7262","0.0008","17.6337","0.0006","28.3261","0.0009","90","","107.612","0.004","90","","9391.3","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C183 H304 F2 N21 O26.5 -","- C183 H304 F2 N21 O26.5 -","- C366 H608 F4 N42 O53 -","2","1","","Caltagirone, Claudia; Montis, Riccardo; Lippolis, Vito; Bencini, Andrea; Conti, Luca; Giorgi, Claudia; Horton, Peter; Coles, Simon; Mapp, Lucy K.; Gale, Philip A.; Fusaro, Luca","Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition","Chemical Communications","2019","","","","","10.1039/C8CC09962F","","x-ray","0.71075","MoKα","","0.1698","0.0896","","","0.2068","0.2547","","","","","","1.009","","","","has coordinates,has disorder","213054","2020-10-21","18:00:00",""
"7122870","10.442","0.002","4.8336","0.0011","12.394","0.003","90","","112.794","0.005","90","","576.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl2 O -","- C12 H12 Cl2 O -","- C24 H24 Cl4 O2 -","2","1","","Xiang, Ming; Luo, Guoshun; Wang, Yuankai; Krische, Michael J.","Enantioselective iridium-catalyzed carbonyl isoprenylation via alcohol-mediated hydrogen transfer.","Chemical communications (Cambridge, England)","2019","55","7","981","","10.1039/c8cc09706b","","","0.71073","MoKα","","0.0305","0.0278","","","0.0648","0.066","","","","","","1.081","","","","has coordinates","213189","2020-10-21","18:00:00",""
"7122949","9.4563","0.0007","40.805","0.004","9.7208","0.0009","90","","90.09","0.002","90","","3750.9","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H38 N O3 S2 -","- C42 H38 N O3 S2 -","- C168 H152 N4 O12 S8 -","4","2","","Li, Can; Liu, Yan; Liu, Xianghui; Wang, Kai; Guo, Wengang","Organic-base Catalyzed Asymmetric 1,4-Addition of Tritylthiol to in Situ Generated Aza-o-Quinone Methides at H2O/DCM Interface","Chemical Communications","2019","","","","","10.1039/C8CC09382B","","","0.71073","MoKα","","0.0906","0.0803","","","0.2166","0.2316","","","","","","1.046","","","","has coordinates","213531","2020-10-21","18:00:00",""
"7122956","6.625","0.0002","9.3524","0.0003","13.0235","0.0004","90","","102.524","0.002","90","","787.73","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 F3 N O5 -","- C11 H20 F3 N O5 -","- C22 H40 F6 N2 O10 -","2","1","","Zhang, Xingang; Lou, Yue-Guang; Wang, An-Jun; Zhao, Liang; He, Lin-Feng; Li, Xiaofei; He, Chun-Yang","Palladium-Catalyzed Cross-Coupling of Unactivated Alkylzinc Reagents with 2-Bromo-3,3,3-Trifluoropropene: A New Access to Diversified Fluorinated Amino Acids","Chemical Communications","2019","","","","","10.1039/C8CC10212K","","","1.54178","CuKα","","0.0539","0.0472","","","0.1239","0.1314","","","","","","1.065","","","","has coordinates","213586","2020-10-21","18:00:00",""
"7122962","10.3569","0.0007","11.0026","0.0004","12.2025","0.0007","90","","114.816","0.004","90","","1262.11","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H46 N2 O2 P2 -","- C21 H46 N2 O2 P2 -","- C42 H92 N4 O4 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid","Chemical Communications","2019","","","","","10.1039/C9CC00621D","","x-ray","0.71073","MoKα","","0.0407","0.0338","","","0.0828","0.0889","","","","","","1.062","","","","has coordinates","213596","2020-10-21","18:00:00",""
"7122963","10.7173","0.0005","10.5593","0.0006","12.6782","0.0006","90","","113.193","0.003","90","","1318.8","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H46 N2 P2 S2 -","- C21 H46 N2 P2 S2 -","- C42 H92 N4 P4 S4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid","Chemical Communications","2019","","","","","10.1039/C9CC00621D","","x-ray","0.71073","MoKα","","0.0674","0.0443","","","0.0922","0.1018","","","","","","0.968","","","","has coordinates","213596","2020-10-21","18:00:00",""
"7122984","11.87","0.002","15.682","0.003","11.922","0.002","90","","90","0.03","90","","2219.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H68 B2 Mg N4 -","- C44 H68 B2 Mg N4 -","- C88 H136 B4 Mg2 N8 -","2","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","1.54178","CuKα","","0.0698","0.0637","","","0.1654","0.1732","","","","","","1.031","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7123002","12.978","0.002","6.7317","0.0011","16.309","0.003","90","","95.116","0.005","90","","1419.1","0.4","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H22 B N2 O2 S -","- C39 H22 B N2 O2 S -","- C78 H44 B2 N4 O4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Takaishi, Kazuto; Ema, Tadashi","Synthesis of chiral carbazole-based BODIPYs showing circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC00894B","","","1.54187","CuKα","","0.0401","0.0362","","","0.0932","0.0949","","","","","","1.011","","","","has coordinates","213674","2020-10-21","18:00:00",""
"7123004","13","0.003","6.5948","0.0015","16.243","0.004","90","","93.955","0.006","90","","1389.2","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H23 B N2 O3 -","- C39 H23 B N2 O3 -","- C78 H46 B2 N4 O6 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Takaishi, Kazuto; Ema, Tadashi","Synthesis of chiral carbazole-based BODIPYs showing circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC00894B","","","1.54187","CuKα","","0.0566","0.0542","","","0.1382","0.1407","","","","","","1.063","","","","has coordinates","213674","2020-10-21","18:00:00",""
"7123011","11.9665","0.0004","13.959","0.0005","19.5766","0.0006","90","","92.472","0.003","90","","3267.04","0.19","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H94 K2 N10 O2 Ti2 -","- C68 H94 K2 N10 O2 Ti2 -","- C136 H188 K4 N20 O4 Ti4 -","2","1","","Okuda, Jun; Spaniol, Thomas Paul; Kögerler, Paul; Ghana, Priyabrata; van Kruechten, Franziska D.; van Leusen, Jan","Conversion of dinitrogen to tris(trimethylsilyl)amine catalyzed by titanium triamido-amine complexes","Chemical Communications","2019","","","","","10.1039/C8CC09742A","","x-ray","0.71073","MoKα","","0.0881","0.0544","","","0.1181","0.1315","","","","","","0.96","","","","has coordinates","213708","2020-10-21","18:00:00",""
"7123013","17.1191","0.0011","29.2535","0.0018","19.9019","0.0013","90","","91.676","0.004","90","","9962.5","1.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C145 H227.5 N12.5 O91 -","- C145 H170 N12.5 O91 -","- C290 H340 N25 O182 -","2","1","","Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya","Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds","Chemical Communications","2019","","","","","10.1039/C9CC00517J","","","0.71073","MoKα","","0.1192","0.1111","","","0.2853","0.2905","","","","","","2.323","","","","has coordinates","213710","2020-10-21","18:00:00",""
"7123015","15.096","0.004","26.233","0.007","17.403","0.005","90","","108.05","0.003","90","","6553","3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H181 N8 O38 P -","- C133 H181 N8 O38 P -","- C266 H362 N16 O76 P2 -","2","1","","Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya","Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds","Chemical Communications","2019","","","","","10.1039/C9CC00517J","","","0.71073","MoKα","","0.1016","0.0613","","","0.153","0.1772","","","","","","1.136","","","","has coordinates,has disorder","213710","2020-10-21","18:00:00",""
"7123045","16.2767","0.0003","37.3828","0.0007","16.9637","0.0003","90","","99.887","0.007","90","","10168.6","0.4","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C142 H258 Au8 N8 O63 P8 Pd4 S8 -","- C142 H165 Au8 N8 O63 P8 Pd4 S8 -","- C284 H330 Au16 N16 O126 P16 Pd8 S16 -","2","1","","Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi","Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC00152B","","","0.71075","MoKα","","0.0809","0.0576","","","0.1125","0.1211","","","","","","1.021","","","","has coordinates,has disorder","213836","2020-10-21","18:00:00",""
"7123081","6.835","0.0001","7.9694","0.0002","24.6235","0.0005","90","","96.505","0.001","90","","1332.63","0.05","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C66 H72 O8 -","2","1","","Zhang, Ying; Shen, Hong-Cheng; Li, Yang-Yang; Huang, Yong-Shuang; Han, Zhiyong; Wu, Xiang","Access to Chiral Tetrahydrofluorenes through Palladium-Catalyzed Enantioselective Tandem Intramolecular Heck/Tsuji‒Trost Reaction","Chemical Communications","2019","","","","","10.1039/C9CC01379B","","","1.34139","GaKα","","0.0428","0.0416","","","0.1107","0.1121","","","","","","1.058","","","","has coordinates","213988","2020-10-21","18:00:00",""
"7123082","7.4998","0.0009","23.79","0.003","7.8325","0.0009","90","","100.688","0.002","90","","1373.2","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 Br3 N2 O3 -","- C28 H25 Br3 N2 O3 -","- C56 H50 Br6 N4 O6 -","2","1","","Zhang, Ying; Shen, Hong-Cheng; Li, Yang-Yang; Huang, Yong-Shuang; Han, Zhiyong; Wu, Xiang","Access to Chiral Tetrahydrofluorenes through Palladium-Catalyzed Enantioselective Tandem Intramolecular Heck/Tsuji‒Trost Reaction","Chemical Communications","2019","","","","","10.1039/C9CC01379B","","","0.71073","MoKα","","0.0963","0.0443","","","0.0872","0.1035","","","","","","0.992","","","","has coordinates","213988","2020-10-21","18:00:00",""
"7123107","9.4579","0.0002","8.3826","0.0002","16.977","0.0004","90","","105.245","0.001","90","","1298.6","0.05","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H19 F5 N4 O -","- C33 H19 F5 N4 O -","- C66 H38 F10 N8 O2 -","2","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0236","0.0234","","","0.0604","0.0607","","","","","","1.06","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123116","12.166","0.0006","5.9496","0.0003","13.4868","0.0006","90","","97.132","0.002","90","","968.66","0.08","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C44 H36 Br2 N2 O6 -","2","1","","Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan","Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis","Chemical Communications","2019","","","","","10.1039/C8CC06500D","","","0.71073","MoKα","","0.0322","0.0286","","","0.0707","0.0725","","","","","","1.021","","","","has coordinates","214051","2020-10-21","18:00:00",""
"7123117","12.3124","0.0006","6.3961","0.0003","12.5551","0.0006","90","","90.017","0.003","90","","988.73","0.08","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C44 H36 Br2 N2 O6 -","2","1","","Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan","Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis","Chemical Communications","2019","","","","","10.1039/C8CC06500D","","","1.54178","CuKα","","0.0728","0.0602","","","0.145","0.1528","","","","","","1.149","","","","has coordinates","214051","2020-10-21","18:00:00",""
"7123127","7.27","0.0001","11.1634","0.0001","14.1731","0.0001","90","","96.958","0.001","90","","1141.79","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","Simpkins, N. S.; Peczkowski, Gary R.; Craven, Philip; Stead, Darren","2,7-Diazabicyclo[2.2.1]heptanes: Novel Asymmetric Access and Controlled Bridge-Opening","Chemical Communications","2019","","","","","10.1039/C8CC10263E","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0576","0.0582","","","","","","1.03","","","","has coordinates,has disorder","214094","2020-10-21","18:00:00",""
"7123133","9.8347","0.0003","10.2954","0.0003","12.0508","0.0004","90","","105.032","0.001","90","","1178.42","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H27 F N2 O2 S -","- C28 H27 F N2 O2 S -","- C56 H54 F2 N4 O4 S2 -","2","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","0.71073","MoKα","","0.0364","0.0321","","","0.083","0.0872","","","","","","1.047","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123134","8.5142","0.0005","11.8312","0.0008","13.0004","0.0008","90","","106.969","0.003","90","","1252.56","0.14","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl2 N2 O2 S -","- C28 H26 Cl2 N2 O2 S -","- C56 H52 Cl4 N4 O4 S2 -","2","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","1.34139","GaKα","","0.0911","0.0862","","","0.2346","0.2492","","","","","","1.113","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123140","7.174","0.003","7.276","0.002","11.608","0.004","90","","106.916","0.005","90","","579.7","0.4","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","dibenzo[b,e]phosphindolizine","","- C16 H11 P -","- C16 H11 P -","- C32 H22 P2 -","2","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0363","0.0337","","","0.0854","0.0864","","","","","","1.062","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123142","10.328","0.005","12.879","0.006","10.995","0.005","90","","96.809","0.007","90","","1452.2","1.2","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H45 N O3 S Si -","- C25 H45 N O3 S Si -","- C50 H90 N2 O6 S2 Si2 -","2","1","","Tang, Fan; Ma, Peng-Ju; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Divergent synthesis of polysubstituted cyclopropanes and β-silyoxy imidates via switchable additions of N-tert-butanesulfinylimidates to acylsilanes","Chemical Communications","2019","","","","","10.1039/C9CC00963A","","","0.71073","MoKα","","0.1393","0.0628","","","0.1318","0.1689","","","","","","0.968","","","","has coordinates,has disorder","214112","2020-10-21","18:00:00",""
"7123144","13.242","0.0005","6.4724","0.0003","14.3242","0.0005","90","","92.113","0.003","90","","1226.86","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H39 N O4 S Si -","- C21 H39 N O4 S Si -","- C42 H78 N2 O8 S2 Si2 -","2","1","","Tang, Fan; Ma, Peng-Ju; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Divergent synthesis of polysubstituted cyclopropanes and β-silyoxy imidates via switchable additions of N-tert-butanesulfinylimidates to acylsilanes","Chemical Communications","2019","","","","","10.1039/C9CC00963A","","x-ray","1.54184","CuKα","","0.0634","0.0625","","","0.1695","0.1701","","","","","","1.027","","","","has coordinates","214112","2020-10-21","18:00:00",""
"7123152","14.8246","0.0012","8.6734","0.0006","18.6689","0.0015","90","","103.835","0.003","90","","2330.8","0.3","171","2","171","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 S -","- C24 H27 N O6 S -","- C96 H108 N4 O24 S4 -","4","2","","Liu, Wen; Zhou, Pengfei; Lang, Jiawen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric intramolecular Alder-ene reaction of 1,7-dienes","Chemical Communications","2019","","","","","10.1039/C9CC01521C","","","0.71073","MoKα","","0.0419","0.0337","","","0.088","0.0978","","","","","","1.056","","","","has coordinates","214195","2020-10-21","18:00:00",""
"7123218","9.1262","0.0006","13.9881","0.0009","14.5299","0.0009","90","","95.526","0.003","90","","1846.2","0.2","123","","123","","","","","","","","Daniel Joss","5","P 1 21 1","P 2yb","4","","","","- C12 H34 Cl2 N4 O2 -","- C12 H34 Cl2 N4 O2 -","- C48 H136 Cl8 N16 O8 -","4","2","","Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel","Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks","Chemical Communications","2019","","","","","10.1039/C9CC00720B","","","1.5418","CuKα","","0.0649","0.0631","","0.1473","0.1467","0.1473","","","","","","1.2469","","","","has coordinates","214381","2020-10-21","18:00:00",""
"7123220","9.0294","0.0005","14.6457","0.0009","12.718","0.0007","90","","106.439","0.003","90","","1613.1","0.16","123","","123","","","","","","","","Thomas Muentener","5","P 1 21 1","P 2yb","4","","","","- C12 H30 Cl N4 O1.5 -","- C12 H30 Cl N4 O1.5 -","- C48 H120 Cl4 N16 O6 -","4","2","","Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel","Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks","Chemical Communications","2019","","","","","10.1039/C9CC00720B","","","1.5418","CuKα","","0.0546","0.05","","0.1315","0.1272","0.1315","","","","","","0.8964","","","","has coordinates","214381","2020-10-21","18:00:00",""
"7123230","28.073","0.005","21.531","0.004","28.536","0.005","90","","104.17","0.03","90","","16723","6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","mtm-saphe-Mg2+","","- C250.29 H340.86 Mg2 N4 O141.24 -","- C250.28 H340.822 Mg2 N4 O141.24 -","- C500.56 H681.644 Mg4 N8 O282.48 -","2","1","","Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.","How mithramycin stereochemistry dictates its structure and DNA binding function.","MedChemComm","2019","10","5","735","741","10.1039/c9md00100j","","","0.97872","synchrotron","","0.1026","0.0795","","","0.2076","0.2318","","","","","","1.108","","","","has coordinates","224645","2020-10-21","18:00:00",""
"7123234","13.5019","0.0004","10.207","0.0003","17.0548","0.0005","90","","95.13","0.003","90","","2340.97","0.12","194","","194","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1Z,2Z)-1,2-bis((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-ylidene)hydrazine","","- C54 H88 N2 -","- C54 H88 N2 -","- C108 H176 N4 -","2","1","","Kishore, Jugal; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed direct synthesis of ketazines using secondary alcohols","Chemical Communications","2019","","","","","10.1039/C9CC01383K","","x-ray","0.71073","MoKα","","0.0623","0.0534","","","0.1368","0.1423","","","","","","1.052","","","","has coordinates","214418","2020-10-21","18:00:00",""
"7123260","8.939","0.0015","11.3093","0.0018","9.5031","0.0017","90","","100.362","0.005","90","","945","0.3","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 O2 P -","- C22 H23 O2 P -","- C44 H46 O4 P2 -","2","1","","Zheng, Ke; Li, Yujun; Yang, Qi; Yang, Liquan; Lei, Ning","Scalable, Electrochemical Dehydrogenative Cross-Coupling of P(O)H Compounds with RSH/ROH","Chemical Communications","2019","","","","","10.1039/C9CC01378D","","","0.71073","MoKα","","0.0907","0.0572","","","0.1291","0.1624","","","","","","1.003","","","","has coordinates","214477","2020-10-21","18:00:00",""
"7123269","9.358","0.002","5.3966","0.0014","15.126","0.003","90","","107.38","0.016","90","","729","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Marin, Lucile; Force, Guillaume; Guillot, Régis; Gandon, Vincent; Schulz, Emmanuelle; Leboeuf, David","Photooxygenation of 2-Propargylfurans: a Path to Structurally Diverse Nitrogen-Containing 5-Membered Rings","Chemical Communications","2019","","","","","10.1039/C9CC01197H","","x-ray","1.54178","CuKα","","0.0668","0.0501","","","0.1002","0.1077","","","","","","1.043","","","","has coordinates","214491","2020-10-21","18:00:00",""
"7123307","5.985","0.008","7.965","0.01","10.657","0.014","90","","93.652","0.016","90","","507","1.1","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","","Toda, Yasunori; Tanaka, Shoya; Gomyou, Shuto; Kikuchi, Ayaka; Suga, Hiroyuki","4-Hydroxymethyl-Substituted Oxazolidinone Synthesis by Tetraarylphosphonium Salt-Catalyzed Reactions of Glycidols with Isocyanates","Chemical Communications","2019","","","","","10.1039/C9CC01983A","","","0.71073","MoKα","","0.046","0.0342","","","0.0721","0.0776","","","","","","1.094","","","","has coordinates","214669","2020-10-21","18:00:00",""
"7123377","8.0413","0.0003","11.5956","0.0003","10.5319","0.0003","90","","112.192","0.004","90","","909.29","0.06","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C20 H22 F N O2 S -","- C20 H22 F N O2 S -","- C40 H44 F2 N2 O4 S2 -","2","1","","Pyne, Stephen G.; Chervis, Philip; Wangngae, Sirilak; Thaima, Thanaphat; Carroll, Anthony; Willis, Anthony; Pattarawarapan, Mookda","Highly diastereoselective synthesis of enantioenriched anti-alpha-allyl-beta-fluoroamines","Chemical Communications","2019","","","","","10.1039/C9CC02765C","","x-ray","0.71073","MoKα","","0.0308","0.0294","","0.0735","0.0723","0.0735","","","","","","1.0017","","","","has coordinates","214884","2020-10-21","18:00:00",""
"7123382","11.7444","0.0002","12.6901","0.0002","24.3021","0.0005","90","","90.7365","0.0017","90","","3621.63","0.11","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H53 N3 O Si -","- C41 H53 N3 O Si -","- C164 H212 N12 O4 Si4 -","4","2","","Zhao, Tingxing; Qin, Dekun; Han, Weiguo; Yang, Shiping; Feng, Boya; Gao, Ge; You, Jingsong","Co(III)-Catalyzed Z-Selective Oxidative C‒H/C‒H Cross-Coupling of Alkenes with Triisopropylsilylacetylene","Chemical Communications","2019","","","","","10.1039/C9CC02347J","","x-ray","1.54184","CuKα","","0.0779","0.0742","","","0.2","0.2066","","","","","","1.03","","","","has coordinates","214900","2020-10-21","18:00:00",""
"7123396","9.7231","0.0001","5.8962","0.0001","13.7204","0.0002","90","","99.675","0.001","90","","775.394","0.019","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Li, Jindong; Li, Yanan; Sun, Jianan; Gui, Yang; Huang, Yekai; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Enantioselective Mukaiyama aldol Reaction of Silyl Enol Ethers with Isatins","Chemical Communications","2019","","","","","10.1039/C9CC02159K","","","1.54184","CuKα","","0.0336","0.0328","","","0.0862","0.0875","","","","","","1.043","","","","has coordinates","214973","2020-10-21","18:00:00",""
"7123490","17.8848","0.0004","7.37022","0.00015","25.6676","0.0006","90","","107.315","0.003","90","","3230.05","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H84 N4 O8 S4 -","- C72 H84 N4 O8 S4 -","- C144 H168 N8 O16 S8 -","2","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","1.54184","CuKα","","0.1003","0.0818","","","0.213","0.24","","","","","","1.038","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123506","12.5917","0.0007","7.9965","0.0004","14.3252","0.0008","90","","98.469","0.006","90","","1426.67","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs2 H4 I9 Nb O28 -","- Cs2 I9 Nb O28 -","- Cs4 I18 Nb2 O56 -","2","1","","Mao, Fei Fei; Hu, Chun-Li; Chen, Jin; Tang, Ruling; Wu, BaoLin; Mao, Jiang-Gao","(H3O)HCs2Nb(IO3)9 and SrNbO(IO3)5: A Facile Synthetic Method of Using Hydrofluoric Acid as Solubilizer","Chemical Communications","2019","","","","","10.1039/C9CC02774B","","","0.71073","MoKα","","0.0414","0.038","","","0.0817","0.085","","","","","","1.039","","","","has coordinates","215362","2020-10-21","18:00:00",""
"7123521","15.0022","0.0001","12.8083","0.0002","17.2649","0.0002","90","","104.105","0.001","90","","3217.48","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","cyclo-[B(C6F5)2N(C6H4Cl)C(O)N(C6H10)C(C6F5)O]","","- C32 H15 B Cl F15 N2 O2 -","- C32 H15 B Cl F15 N2 O2 -","- C128 H60 B4 Cl4 F60 N8 O8 -","4","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0365","0.0335","","","0.0841","0.0873","","","","","","1.033","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123587","8.244","0.003","8.741","0.004","15.818","0.006","90","","104.992","0.013","90","","1101.1","0.8","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C50 H50 N2 O6 S2 -","2","1","","Breit, Bernhard; Wang, Yu-Hsuan","Chemo-, Regio-, and Enantioselective Synthesis of Allylic Nitrones via Rhodium-Catalyzed Addition of Oximes to Allenes","Chemical Communications","2019","","","","","10.1039/C9CC03391B","","x-ray","0.71073","MoKα","","0.0305","0.0293","","","0.0688","0.0696","","","","","","1.035","","","","has coordinates","215668","2020-10-21","18:00:00",""
"7123623","11.1094","0.0016","5.715","0.0008","15.077","0.002","90","","111.014","0.002","90","","893.6","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H14 Cl N O3 -","- C24 H14 Cl N O3 -","- C48 H28 Cl2 N2 O6 -","2","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0305","0.029","","","0.0737","0.0746","","","","","","1.025","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123628","8.4219","0.0012","35.714","0.005","13.5618","0.0019","90","","101.876","0.002","90","","3991.8","1","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19.5 H25.5 Cl2 N Rh -","- C19.5 H25.5 Cl2 N Rh -","- C156 H204 Cl16 N8 Rh8 -","8","4","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0549","0.0487","","","0.1035","0.1058","","","","","","1.125","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123646","10.5583","0.001","9.7573","0.0007","11.7032","0.0011","90","","106.984","0.011","90","","1153.09","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O4 -","- C26 H24 Cl N O4 -","- C52 H48 Cl2 N2 O8 -","2","1","","Punniyamurthy, Tharmalingam; Das, Bijay Ketan; Pradhan, Sourav","Stereospecific assembly of tetrahydroquinolines via tandem ring-opening/oxidative cyclization of donor-acceptor cyclopropanes with N-alkyl anilines","Chemical Communications","2019","","","","","10.1039/C9CC04042K","","","0.71073","MoKα","","0.1065","0.0713","","","0.1584","0.1989","","","","","","1.031","","","","has coordinates","215900","2020-10-21","18:00:00",""
"7123649","8.5863","0.0001","12.974","0.0001","20.24","0.0002","90","","101.144","0.001","90","","2212.2","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O4 S2 -","- C25 H25 N O4 S2 -","- C100 H100 N4 O16 S8 -","4","2","","Shi, Jingkai; Liang, Fei; He, Yixin; Zhang, Xinyuan; Lin, Zheshuai; Xu, De Gang; Hu, Zhanggui; Yao, Jianquan; Wu, Yicheng","Rational structural design of benzothiazolium-based crystal HDB-T with high nonlinearity and efficient terahertz-wave generation","Chemical Communications","2019","","","","","10.1039/C9CC03188J","","","1.54178","CuKα","","0.0356","0.034","","","0.0843","0.0852","","","","","","1.074","","","","has coordinates","215984","2020-10-21","18:00:00",""
"7123652","12.0778","0.0001","9.4396","0.0001","13.2738","0.0001","90","","110.964","0.001","90","","1413.17","0.02","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 Br N3 O6 -","- C30 H26 Br N3 O6 -","- C60 H52 Br2 N6 O12 -","2","1","","Zhang, Chun-Lin; Han, You-Feng; Ye, Song","N-Heterocyclic Carbene-Catalyzed β-Addition of Enals to 3-Alkylenyloxindoles: Synthesis of Oxindoles with All-Carbon Quaternary Stereocenters","Chemical Communications","2019","","","","","10.1039/C9CC03099A","","x-ray","1.54184","CuKα","","0.0257","0.025","","","0.0666","0.0678","","","","","","1.061","","","","has coordinates,has disorder","215986","2020-10-21","18:00:00",""
"7123681","10.069","0.003","5.4426","0.0014","14.511","0.003","90","","97.633","0.008","90","","788.2","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O -","- C21 H20 O -","- C42 H40 O2 -","2","1","","Shi, Min; Zang, Wenqing; Wei, Yin","Gold(I)-Catalyzed Cascade Cyclization of O-Tethered 1,7-Enynes Bearing a Cyclopropane Moiety: Construction of multi-Substituted Furans","Chemical Communications","2019","","","","","10.1039/C9CC03735G","","","0.71073","MoKα","","0.0691","0.049","","","0.1208","0.1389","","","","","","1.035","","","","has coordinates","216078","2020-10-21","18:00:00",""
"7123691","5.8479","0.0001","14.8989","0.0004","17.0994","0.0004","90","","95.941","0.001","90","","1481.82","0.06","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 F N O -","- C20 H16 F N O -","- C80 H64 F4 N4 O4 -","4","2","","Jimoh, Abiola Azeez; Hosseyni, Seyedmorteza; Ye, Xiaohan; Wojtas, Lukasz; Hu, Yong; Shi, Xiaodong","Gold Redox Catalysis for Cyclization/Arylation of Allylic Oximes: Synthesis of Isoxazoline Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC02830G","","","1.54178","CuKα","","0.0361","0.0348","","","0.0878","0.0888","","","","","","1.026","","","","has coordinates,has disorder","216084","2020-10-21","18:00:00",""
"7123710","7.8987","0.0007","6.2421","0.0006","14.8718","0.0014","90","","103.53","0.005","90","","712.9","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Karpiuk, Jerzy; Gawrys, Pawel; Karpiuk, Elena; Suwinska, Kinga","Electron transfer across a spiro link: extreme solvatofluorochromism of a compact spiro-bridged N,N-dimethylaniline-phthalide dyad","Chemical Communications","2019","","","","","10.1039/C9CC02933H","","","1.54178","CuKα","","0.037","0.0339","","","0.082","0.0855","","","","","","1.076","","","","has coordinates","216481","2020-10-21","18:00:00",""
"7123721","10.0809","0.0003","9.02379","0.00019","13.9208","0.0003","90","","100.834","0.002","90","","1243.77","0.05","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 B10 -","- C26 H28 B10 -","- C52 H56 B20 -","2","1","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","x-ray","1.54184","CuKα","","0.0417","0.0385","","","0.0959","0.0989","","","","","","1.057","","","","has coordinates","216535","2020-10-21","18:00:00",""
"7123724","8.0685","0.0002","18.8284","0.0006","8.1393","0.0002","90","","95.576","0.002","90","","1230.65","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C56 H50 N6 O8 -","2","1","","you, yong; Lu, Wen-Ya; Xie, Ke-Xin; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Weicheng","Enantioselective Synthesis of Isoquinoline-1,3(2H,4H)-dione Derivatives via Chiral Phosphoric Acid Catalyzed aza-Friedel−Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC04057A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0902","0.0924","","","","","","1.029","","","","has coordinates,has disorder","216538","2020-10-21","18:00:00",""
"7123746","18.109","0.006","9.708","0.003","19.555","0.006","90","","99.535","0.006","90","","3390.3","1.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C144 H128 Cl8 N8 O16 S8 -","8","4","","Wu, Yan-Chen; Jiang, Shuai-Shuai; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Transition-Metal- and Oxidant-Free Directed Anodic C-H Sulfonylation of N,N-Disubstituted Anilines with Sulfinates","Chemical Communications","2019","","","","","10.1039/C9CC03789F","","","0.71073","MoKα","","0.152","0.0671","","","0.0611","0.0736","","","","","","1.041","","","","has coordinates","216619","2020-10-21","18:00:00",""
"7123754","10.4158","0.0011","16.6407","0.0012","12.8005","0.0011","90","","95.289","0.004","90","","2209.2","0.3","100","2","99.95","","","","","","","","","6","P 1 21 1","P 2yb","4","","P2PCoCOSitBuPh2","","- C44.53 H56.84 Co O P3 Si -","- C44.5231 H56.838 Co O P3 Si -","- C89.0462 H113.676 Co2 O2 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.0337","0.0321","","","0.0804","0.0811","","","","","","1.072","","","","has coordinates,has disorder","216665","2020-10-21","18:00:00",""
"7123760","7.9364","0.0009","21.825","0.002","17.4095","0.0017","90","","93.64","0.006","90","","3009.4","0.5","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H49 N5 O Zn -","- C29 H49 N5 O Zn -","- C116 H196 N20 O4 Zn4 -","4","2","","Honrado, Manuel; Sobrino Ramírez, Sonia; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María","Synthesis of an Enantiopure Scorpionate Ligand by a Nucleophilic Addition to a Ketenimine and a Zinc Initiator for the Isoselective ROP of rac-Lactide","Chemical Communications","2019","","","","","10.1039/C9CC04716F","","","0.71073","MoKα","","0.138","0.0612","","","0.1387","0.1849","","","","","","0.862","","","","has coordinates,has disorder","216680","2020-10-21","18:00:00",""
"7123769","11.4504","0.0001","8.5054","0.0001","12.2627","0.0001","90","","98.475","0.001","90","","1181.23","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O6 S -","- C25 H28 N2 O6 S -","- C50 H56 N4 O12 S2 -","2","1","","Zhang, Junliang; Cong, Tiantian; Wang, Huamin; Li, Xiuzheng; Wu, Hai-Hong","Chiral Bifunctional Bisphosphine Enabled Enantioselective Tandem Michael Addition of Tryptamine-Derived Oxindoles to Ynones","Chemical Communications","2019","","","","","10.1039/C9CC04357H","","x-ray","1.54184","CuKα","","0.0376","0.0373","","","0.1007","0.101","","","","","","1.056","","","","has coordinates","216750","2020-10-21","18:00:00",""
"7123794","10.205","0.0002","9.46603","0.00018","13.9602","0.0003","90","","101.307","0.002","90","","1322.39","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H24 Br N O4 -","- C33 H24 Br N O4 -","- C66 H48 Br2 N2 O8 -","2","1","","Wang, Zhen-Hua; Zhang, Xia-Yan; Lei, Chuan-Wen; Zhao, Jian-Qiang; you, yong; Yuan, Weicheng","Highly Enantioselective Sequential Vinylogous Aldol Reaction/Transesterification of Methyl-Substituted Olefinic Butyrolactones with Isatins for the Construction of Chiral Spirocyclic Oxindole-Dihydropyranones","Chemical Communications","2019","","","","","10.1039/C9CC04427B","","x-ray","1.54184","CuKα","","0.0393","0.0374","","","0.0979","0.1003","","","","","","1.05","","","","has coordinates","216901","2020-10-21","18:00:00",""
"7123805","10.5271","0.0007","18.2281","0.001","12.1212","0.0007","90","","103.731","0.002","90","","2259.5","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H77 B Ca N4 O -","- C45 H77 B Ca N4 O -","- C90 H154 B2 Ca2 N8 O2 -","2","1","","Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin","Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide","Chemical Communications","2019","","","","","10.1039/C9CC04698D","","","0.71073","MoKα","","0.063","0.0439","","","0.0939","0.1061","","","","","","1.043","","","","has coordinates","216906","2020-10-21","18:00:00",""
"7123819","9.952","0.005","15.229","0.007","10.059","0.006","90","","92.86","0.01","90","","1522.6","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 F6 P2 Ru -","- C33 H34 F6 P2 Ru -","- C66 H68 F12 P4 Ru2 -","2","1","","Ruba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reactivity of a metallacyclopentatriene intermediate: metal-to-ligand-to-metal re-migration of a phosphine ligand versus a 1,2 hydrogen shift","Chemical Communications","2001","19","","1996","1997","10.1039/B104927P","","","0.71073","MoKα","","0.0448","0.0411","","","0.0993","0.1023","","","","","","1.084","","","","has coordinates","216935","2020-10-21","18:00:00",""
"7123900","12.515","","13.74","","12.607","","90","","120.19","","90","","1873.81","","373","2","373.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H68 Br4 N16 O8 S4 -","- C68 H68 Br4 N16 O8 S4 -","- C68 H68 Br4 N16 O8 S4 -","1","0.5","","Ye, Long-Wu; Tan, Tong-De; Chen, Yang-Bo; Yang, Ming-Yang; Wang, Jia-Le; Su, Hao-Ze; Hong, Feng-Lin; Zhou, Jin-Mei","Stereoselective synthesis of 2,5-disubstituted pyrrolidines through gold-catalyzed anti-Markovnikov hydroamination-initiated tandem reactions","Chemical Communications","2019","","","","","10.1039/C9CC05295J","","","0.71073","MoKα","","0.1727","0.0729","","","0.1562","0.2339","","","","","","0.971","","","","has coordinates","217219","2020-10-21","18:00:00",""
"7123961","6.5581","0.0012","10.928","0.0019","16.216","0.003","90","","92.794","0.003","90","","1160.8","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 N2 O5 S -","- C27 H25 N2 O5 S -","- C54 H50 N4 O10 S2 -","2","1","","Zhou, Leijie; Zeng, Yuan; Gao, Xing; Wang, Qijun; Wang, Chang; Wang, Bo; Wang, Wei; Wu, Yongjun; Zheng, Bing; Guo, Hongchao","Chiral squaramide-catalyzed asymmetric dearomative tandem annulation reaction through kinetic resolution of MBH alcohols: highly enantioselective synthesis of three-dimensional heterocyclic compounds","Chemical Communications","2019","","","","","10.1039/C9CC05483A","","","0.71073","MoKα","","0.0418","0.0409","","","0.1085","0.1093","","","","","","1.057","","","","has coordinates","217456","2020-10-21","18:00:00",""
"7123972","5.9337","0.0005","7.5484","0.0008","15.1871","0.0013","90","","96.119","0.009","90","","676.35","0.11","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 I -","- C15 H10 F3 I -","- C30 H20 F6 I2 -","2","1","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","0.71073","MoKα","","0.1269","0.1217","","","0.3049","0.3104","","","","","","1.341","","","","has coordinates","217480","2020-10-21","18:00:00",""
"7123988","11.0376","0.0011","22.224","0.002","12.1752","0.0014","90","","94.256","0.001","90","","2978.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H65 Au F6 N5 O2 P -","- C59 H65 Au F6 N5 O2 P -","- C118 H130 Au2 F12 N10 O4 P2 -","2","1","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","0.71073","MoKα","","0.0255","0.0227","","","0.047","0.0478","","","","","","1.024","","","","has coordinates","217526","2020-10-21","18:00:00",""
"7123998","9.9877","0.0013","9.5433","0.0012","10.2039","0.0013","90","","92.235","0.004","90","","971.9","0.2","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C50 H44 N4 O2 -","2","1","","Shi, Peng; Wang, Jie; Gan, ZiXu; Zhang, Jingyu; Zeng, Runsheng; Zhao, Yingsheng","A Practical Copper-Catalyzed Approach to β-Lactams via Radical Carboamination of Alkenyl Carbonyl Compounds","Chemical Communications","2019","","","","","10.1039/C9CC05668H","","","0.71073","MoKα","","0.1053","0.0579","","","0.0975","0.1094","","","","","","1.056","","","","has coordinates","217529","2020-10-21","18:00:00",""
"7124081","9.9331","0.0002","7.244","0.0001","10.5483","0.0002","90","","108.156","0.002","90","","721.22","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O Si -","- C15 H21 N O Si -","- C30 H42 N2 O2 Si2 -","2","1","","Li, Chen; Wang, Ting; Li, Ni; Li, Min; Li, Yuntao; Sun, Yan; Tian, Yang; Zhu, Junru; Wu, Yiqian; Zhang, Dazhi; Cui, Xiaoyan","Si-coumarin of hydrogen-bonding induced bathochromic effect for monitoring adipogenic differentiation","Chemical Communications","2019","","","","","10.1039/C9CC05895H","","x-ray","1.54184","CuKα","","0.0397","0.0394","","","0.1052","0.1054","","","","","","1.073","","","","has coordinates","217848","2020-10-21","18:00:00",""
"7124095","12.2047","0.0002","4.9246","0.0001","14.6571","0.0003","90","","110.442","0.001","90","","825.46","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Lu, Jian; Luo, Ling-Shan; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Copper-catalyzed enantioselective alkynylation of pyrazole-4,5-diones with terminal alkynes","Chemical Communications","2019","","","","","10.1039/C9CC05252F","","","1.54178","CuKα","","0.0315","0.0312","","","0.0859","0.0865","","","","","","1.076","","","","has coordinates","217922","2020-10-21","18:00:00",""
"7124109","6.6218","0.0012","11.9315","0.0018","11.96","0.002","90","","98.905","0.005","90","","933.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O7 -","- C21 H17 N3 O7 -","- C42 H34 N6 O14 -","2","1","","Lockett-Walters, Bruce; Trujillo, Cristina; Twamley, Brendan; Connon, Stephen","The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis","Chemical Communications","2019","","","","","10.1039/C9CC05064G","","x-ray","0.71073","MoKα","","0.045","0.0347","","","0.0753","0.0802","","","","","","1.03","","","","has coordinates","217929","2020-10-21","18:00:00",""
"7124220","10.357","0.0006","8.1337","0.0004","14.8816","0.0008","90","","108.017","0.002","90","","1192.16","0.11","298","2","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C62 H50 N2 O4 S2 -","2","1","","Sun, Kai; Chen, Xiaolan; Zhang, Yinli; Li, Kai; Huang, Xian-Qiang; Peng, Yu-Yu; Qu, Lingbo; Yu, Bing","Metal-free Sulfonyl Radical-initiated Cascade Cyclization to Access Sulfonated Indolo[1,2-a]quinolines","Chemical Communications","2019","","","","","10.1039/C9CC06924K","","","0.71073","MoKα","","0.1416","0.1072","","","0.2598","0.2842","","","","","","1.102","","","","has coordinates","218643","2020-10-21","18:00:00",""
"7124289","8.8272","0.0017","5.0631","0.001","12.707","0.002","90","","94.248","0.016","90","","566.35","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H8 Br F3 N2 S -","- C9 H8 Br F3 N2 S -","- C18 H16 Br2 F6 N4 S2 -","2","1","","Li, Zhengyu; Dong, Jingnan; Wang, Junwen; Yang, Ding-Yah; Weng, Zhiqiang","Elemental sulfur-promoted one-pot synthesis of 2-(2,2,2-trifluoroethyl)benzoxazoles and their derivatives","Chemical Communications","2019","","","","","10.1039/C9CC06822H","","","1.54184","CuKα","","0.0993","0.0707","","","0.1797","0.2252","","","","","","0.995","","","","has coordinates","219168","2020-10-21","18:00:00",""
"7124309","4.6759","0.0012","14.355","0.004","12.253","0.004","90","","90.12","0.02","90","","822.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Compound 5m","","- C14 H12 N2 O4 S3 -","- C14 H12 N2 O4 S3 -","- C28 H24 N4 O8 S6 -","2","1","","Bhabak, Krishna Pada; Bhattacherjee, Debojit; Sufian, Abu; Mahato, Sulendar K.; Begum, Samiyara; Banerjee, Kaustav; De, Sharmistha; Srivastava, Hemant Kumar","Trisulfides over Disulfides: Highly Selective Synthetic Strategies, Anti-proliferative Activities and Sustained H2S Release Profiles","Chemical Communications","2019","","","","","10.1039/C9CC05562B","","","0.71073","MoKα","","0.0998","0.0467","","","0.1084","0.127","","","","","","0.904","","","","has coordinates","219369","2020-10-21","18:00:00",""
"7124331","12.9918","0.0005","7.129","0.0003","16.6483","0.0006","90","","96.41","0.003","90","","1532.3","0.1","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 Cl4 N2 O8 -","- C32 H26 Cl4 N2 O8 -","- C64 H52 Cl8 N4 O16 -","2","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0484","0.0409","","","0.0804","0.0858","","","","","","1.037","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124387","14.1718","0.0003","15.5447","0.0004","15.4562","0.0004","90","","106.216","0.002","90","","3269.48","0.14","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C20 H26 Au B Cl4 N6 O2 Se W -","- C20 H26 Au B Cl4 N6 O2 Se W -","- C80 H104 Au4 B4 Cl16 N24 O8 Se4 W4 -","4","2","","Hill, Anthony; Watson, Lachlan J.; Frogley, Benjamin","Bridging selenocarbonyl ligands: An open and shut case.","Chemical Communications","2019","","","","","10.1039/C9CC07757J","","","1.54184","CuKα","","0.0496","0.0438","","","0.1157","0.1211","","","","","","1.02","","","","has coordinates","220333","2020-10-21","18:00:00",""
"7124393","10.74","0.002","22.857","0.005","10.909","0.002","90","","104.54","0.03","90","","2592.2","1","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl3 N3 O4 -","- C25 H26 Cl3 N3 O4 -","- C100 H104 Cl12 N12 O16 -","4","2","","Huang, You; Feng, Jiaxu","Phosphine-Catalyzed (3+2)/(2+3) Sequential Annulation by Triple Nucleophilic Addition Reaction of γ-Vinyl Allenoates","Chemical Communications","2019","","","","","10.1039/C9CC07346A","","","0.71073","MoKα","","0.0997","0.0713","","","0.1584","0.18","","","","","","1.044","","","","has coordinates","220335","2020-10-21","18:00:00",""
"7124395","12.471","0.008","13.794","0.009","13.094","0.008","90","","116.562","0.016","90","","2015","2","200","2","200.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H52 Cu N3 S2 -","- C42 H52 Cu N3 S2 -","- C84 H104 Cu2 N6 S4 -","2","1","","Elsby, Matthew R.; Baker, R. Tom","Cu(i)-SNS complexes for outer-sphere hydroboration and hydrosilylation of carbonyls.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc07266g","","","0.71073","MoKα","","0.0345","0.0299","","","0.0706","0.073","","","","","","1.049","","","","has coordinates,has disorder","220336","2020-10-21","18:00:00",""
"7124418","19.9608","0.0011","23.1","0.0012","22.9095","0.0013","90","","101.775","0.0018","90","","10341.2","1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105.5 H118 Cl3 Eu N9 O15 -","- C105.5 H118 Cl3 Eu N9 O15 -","- C422 H472 Cl12 Eu4 N36 O60 -","4","2","","starck, matthieu; MacKenzie, Lewis Edward; Batsanov, Andrei Stepanovich; Parker, David; Pal, Robert","Excitation modulation of Eu:BPEPC based complexes as low-energy reference standards for circularly polarised luminescence (CPL).","Chemical Communications","2019","","","","","10.1039/C9CC07290J","","x-ray","0.71073","MoKα","","0.0621","0.0389","","","0.0739","0.0795","","","","","","1.012","","","","has coordinates,has disorder","222239","2020-10-21","18:00:00",""
"7124419","19.884","0.008","23.01","0.01","23.107","0.011","90","","101.685","0.016","90","","10353","8","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H113 Cl3 Eu N9 O14 -","- C104 H113 Cl3 Eu N9 O14 -","- C416 H452 Cl12 Eu4 N36 O56 -","4","2","","starck, matthieu; MacKenzie, Lewis Edward; Batsanov, Andrei Stepanovich; Parker, David; Pal, Robert","Excitation modulation of Eu:BPEPC based complexes as low-energy reference standards for circularly polarised luminescence (CPL).","Chemical Communications","2019","","","","","10.1039/C9CC07290J","","x-ray","0.71073","MoKα","","0.0763","0.0501","","","0.1053","0.1135","","","","","","1.035","","","","has coordinates,has disorder","222239","2020-10-21","18:00:00",""
"7124486","10.1635","0.0019","20.791","0.004","10.5547","0.0019","90","","102.641","0.002","90","","2176.2","0.7","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H60 Cl N5 -","- C50 H60 Cl N5 -","- C100 H120 Cl2 N10 -","2","1","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","x-ray","0.71073","MoKα","","0.0672","0.0488","","","0.0825","0.0922","","","","","","1.048","","","","has coordinates","227744","2020-10-21","18:00:00",""
"7124551","8.0022","0.001","7.1348","0.0009","16.892","0.002","90","","92.706","0.001","90","","963.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Y6-2nap","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Cook, Andrea M.; Wolf, Christian","Catalytic enantioselective nucleophilic addition of ynamides to aldehydes.","Chemical communications (Cambridge, England)","2014","50","24","3151","3154","10.1039/c4cc00394b","","","0.71073","MoKα","","0.0323","0.0315","","","0.0876","0.0885","","","","","","1.031","","","","has coordinates","232726","2020-10-21","18:00:00",""
"7124610","5.9605","0.0006","32.909","0.003","7.1915","0.0007","90","","91.991","0.003","90","","1409.8","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","C17H15BrO2","(Z)-(3-(4-Bromobenzylidene)-2-methyl-2,3-dihydrobenzofuran-2-yl)methanol","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C68 H60 Br4 O8 -","4","2","","Kondoh, Azusa; Tran, Hoa Thi Quynh; Kimura, Kyoko; Terada, Masahiro","Enantioselective intramolecular cyclization of alkynyl esters catalyzed by a chiral Brønsted base.","Chemical communications (Cambridge, England)","2016","52","33","5726","5729","10.1039/c6cc01690a","","","1.54178","CuKα","","0.0226","0.0225","","","0.0575","0.0575","","","","","","1.075","","","","has coordinates","233999","2020-10-21","18:00:00",""
"7124631","10.7299","0.0005","19.7985","0.0008","12.1281","0.0005","90","","95.89","0.002","90","","2562.84","0.19","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H32 B2 F25 P -","- C54 H32 B2 F25 P -","- C108 H64 B4 F50 P2 -","2","1","","Möbus, Juri; Vom Stein, Thorsten; Stephan, Douglas W.","Cooperative Lewis acidity in borane-substituted fluorophosphonium cations.","Chemical communications (Cambridge, England)","2016","52","38","6387","6390","10.1039/c6cc02607a","","","0.71073","MoKα","","0.069","0.0457","","","0.0892","0.0992","","","","","","1.0045","","","","has coordinates","234034","2020-10-21","18:00:00",""
"7124676","8.6028","0.0003","6.2292","0.0003","11.4861","0.0004","90","","94.415","0.003","90","","613.7","0.04","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-2-nitro-2,3-diphenyloxirane","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Vidal-Albalat, A; Swiderek, K.; Izquierdo, J.; Rodríguez, S; Moliner, V.; González, F V","Catalytic enantioselective epoxidation of nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","65","10060","10063","10.1039/c6cc03539f","","x-ray","1.54184","CuKα","","0.0585","0.0541","","","0.1324","0.1369","","","","","","1.051","","","","has coordinates","234107","2020-10-21","18:00:00",""
"7124690","3.5852","0.0003","16.3937","0.0012","9.4278","0.0007","90","","98.448","0.003","90","","548.1","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H4 N6 O2 -","- C2 H4 N6 O2 -","- C8 H16 N24 O8 -","4","2","","He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds.","Chemical communications (Cambridge, England)","2016","52","52","8123","8126","10.1039/c6cc03833f","","","0.71073","MoKα","","0.0918","0.048","","","0.0897","0.1114","","","","","","1.045","","","","has coordinates","234129","2020-10-21","18:00:00",""
"7124695","10.1048","0.0008","12.9834","0.0008","15.341","0.001","90","","102.567","0.004","90","","1964.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 Li N3 -","- C21 H30 Li N3 -","- C84 H120 Li4 N12 -","4","2","","Blair, V. L.; Stevens, M. A.; Thompson, C. D.","The importance of the Lewis base in lithium mediated metallation and bond cleavage reaction of allyl amines and allyl phosphines.","Chemical communications (Cambridge, England)","2016","52","52","8111","8114","10.1039/c6cc03947b","","","0.71073","MoKα","","0.0502","0.0417","","","0.1051","0.1103","","","","","","1.021","","","","has coordinates","234137","2020-10-21","18:00:00",""
"7124718","9.4569","0.001","19.807","0.002","21.941","0.002","90","","96.83","0.002","90","","4080.7","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C224 H160 O16 -","8","4","","Zhang, Xin; Chen, Lin; Chen, Xiang-Yu; Zhang, Hanzhi; Yang, Liuqing; Yang, Fengchun","Effective separation of single-walled carbon nanotubes and their very different electrochemical behaviours.","Chemical communications (Cambridge, England)","2016","52","59","9287","9290","10.1039/c6cc04139f","","","0.71073","MoKα","","0.0736","0.0473","","","0.1067","0.1277","","","","","","1.017","","","","has coordinates","234161","2020-10-21","18:00:00",""
"7124795","9.67334","0.00014","11.20885","0.00018","18.6086","0.0002","90","","94.3265","0.0014","90","","2011.93","0.05","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl (1R*,2S*,10S*,11R*,12S*)-5-benzyl-9-oxo-15-oxa-5,8-diazatetracyclo[10.2.1.0^1^,^1^°.0^2^,8]pentadecane-11-carboxylate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","2","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","0.71073","MoKα","","0.0466","0.0439","","","0.1117","0.1152","","","","","","1.022","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124808","9.8334","0.0014","21.319","0.003","12.7266","0.0018","90","","95.59","0.007","90","","2655.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H62 Au Cl P S3 -","- C60 H62 Au Cl P S3 -","- C120 H124 Au2 Cl2 P2 S6 -","2","1","","Aillard, Paul; Dova, Davide; Magné, Valentin; Retailleau, Pascal; Cauteruccio, Silvia; Licandro, Emanuela; Voituriez, Arnaud; Marinetti, Angela","The synthesis of substituted phosphathiahelicenes via regioselective bromination of a preformed helical scaffold: a new approach to modular ligands for enantioselective gold-catalysis.","Chemical communications (Cambridge, England)","2016","52","73","10984","10987","10.1039/c6cc04765c","","","1.54187","CuKα","","0.2175","0.0837","","","0.1848","0.2576","","","","","","0.958","","","","has coordinates","234247","2020-10-21","18:00:00",""
"7124816","4.8503","0.0012","17.114","0.004","6.4411","0.0015","90","","105.911","0.004","90","","514.2","0.2","98","","98","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Methoxuquinoline N-Oxide Dihydrate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.0354","0.035","","","0.0898","0.0902","","","","","","1.028","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124846","9.5936","0.0004","17.0134","0.0007","12.402","0.0005","90","","111.095","0.005","90","","1888.6","0.15","292.71","0.1","292.71","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 Br2 N2 O6 -","- C42 H40 Br2 N2 O6 -","- C84 H80 Br4 N4 O12 -","2","1","","Li, Jun-Long; Yang, Kai-Chuan; Li, Yi; Li, Qiang; Zhu, Hong-Ping; Han, Bo; Peng, Cheng; Zhi, Yong-Gang; Gou, Xiao-Jun","Asymmetric synthesis of bicyclic dihydropyrans via organocatalytic inverse-electron-demand oxo-Diels-Alder reactions of enolizable aliphatic aldehydes.","Chemical communications (Cambridge, England)","2016","52","70","10617","10620","10.1039/c6cc05001h","","x-ray","1.54184","CuKα","","0.0616","0.0546","","","0.136","0.1437","","","","","","1.014","","","","has coordinates","234280","2020-10-21","18:00:00",""
"7124875","18.7517","0.0001","28.4384","0.0003","21.539","0.0002","90","","115.122","0.0003","90","","10399.6","0.16","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C124 Cl12 N7 O73 Si2 Sn6 W18 -","- C124 Cl12 N7 O73 Si2 Sn6 W18 -","- C248 Cl24 N14 O146 Si4 Sn12 W36 -","2","1","","Suzuki, Kosuke; Hanaya, Takumi; Sato, Rinta; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Hexanuclear tin(ii) and mixed valence tin(ii,iv) oxide clusters within polyoxometalates.","Chemical communications (Cambridge, England)","2016","52","70","10688","10691","10.1039/c6cc05284c","","","0.71069","MoKα","","0.0875","0.0724","","","0.1845","0.2046","","","","","","1.038","","","","has coordinates,has disorder","234306","2020-10-21","18:00:00",""
"7124879","10.023","0.004","7.569","0.003","13.421","0.005","90","","108.949","0.007","90","","963","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C46 H44 S4 -","2","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.0822","0.0694","","","0.1679","0.1791","","","","","","1.031","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124881","10.601","0.002","19.272","0.004","11.193","0.002","90","","117.501","0.004","90","","2028.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H40 O2 S4 -","- C52 H40 O2 S4 -","- C104 H80 O4 S8 -","2","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.1405","0.0938","","","0.1988","0.2244","","","","","","1.039","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124887","6.1447","0.0004","8.6445","0.0006","12.6178","0.0009","90","","101.032","0.003","90","","657.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 Cl N4 O -","- C13 H11 Cl N4 O -","- C26 H22 Cl2 N8 O2 -","2","1","","Vishwanath, Manjunatha; Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","An efficient construction of N,N-bicyclic pyrazolidinones comprising enaminonitriles via asymmetric [3+2] cycloaddition.","Chemical communications (Cambridge, England)","2016","52","83","12314","12317","10.1039/c6cc05304a","","","0.71073","MoKα","","0.0465","0.0344","","","0.0629","0.0666","","","","","","1.134","","","","has coordinates","234313","2020-10-21","18:00:00",""
"7124904","11.4322","0.0004","16.3704","0.0005","12.5755","0.0004","90","","100.994","0.002","90","","2310.31","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H42 B2 N4 O6 -","- C60 H42 B2 N4 O6 -","- C120 H84 B4 N8 O12 -","2","1","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.0619","0.0443","","","0.1254","0.1431","","","","","","1.045","","","","has coordinates","234335","2020-10-21","18:00:00",""
"7124940","8.118","0.007","16.336","0.013","8.515","0.006","90","","91.597","0.014","90","","1128.8","1.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 N2 O -","- C29 H28 N2 O -","- C58 H56 N4 O2 -","2","1","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","1.54187","CuKα","","0.0882","0.0637","","","0.1492","0.1777","","","","","","1.063","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7124943","13.438","0.003","14.165","0.002","13.5796","0.0019","90","","93.657","0.003","90","","2579.6","0.8","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O S -","- C29 H31 N3 O S -","- C116 H124 N12 O4 S4 -","4","2","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","1.54187","CuKα","","0.0607","0.0594","","","0.1505","0.1522","","","","","","1.035","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7124952","9.179","0.001","13.937","0.001","10.048","0.007","90","","112.89","0.02","90","","1184.2","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Tc(NO)(Cp)(Ph)(PPh3)]","hapto5-cyclopentadienylphenyl triphenylphosphinenitrosyl technetium(I)","","- C29 H25 N O P Tc -","- C29 H25 N O P Tc -","- C58 H50 N2 O2 P2 Tc2 -","2","1","","Ackermann, J.; Hagenbach, A.; Abram, U.","{Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.","Chemical communications (Cambridge, England)","2016","52","67","10285","10288","10.1039/c6cc05811f","","","0.71073","MoKα","","0.0144","0.0141","","","0.0358","0.0361","","","","","","0.714","","","","has coordinates","234377","2020-10-21","18:00:00",""
"7124959","9.5967","0.001","9.265","0.0008","10.1709","0.001","90","","102.244","0.003","90","","883.76","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Zhao, Quan-Qing; Hu, Xiao-Qiang; Yang, Meng-Nan; Chen, Jia-Rong; Xiao, Wen-Jing","A visible-light photocatalytic N-radical cascade of hydrazones for the synthesis of dihydropyrazole-fused benzosultams.","Chemical communications (Cambridge, England)","2016","52","86","12749","12752","10.1039/c6cc05897c","","","0.71073","MoKα","","0.076","0.0438","","","0.0767","0.0863","","","","","","1.026","","","","has coordinates","234388","2020-10-21","18:00:00",""
"7125039","8.3467","0.0002","25.1787","0.001","22.297","0.0008","90","","92.223","0.003","90","","4682.4","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92 H108 Br2 N10 O15 S2 -","- C92 H108 Br2 N10 O15 S2 -","- C184 H216 Br4 N20 O30 S4 -","2","1","","Fuentes de Arriba, Ángel L; Simón, Luis; Rubio, Omayra H.; Monleón, Laura M; Alcázar, Victoria; Sanz, Francisca; Raposo, César A; Morán, Joaquín R","A bio-inspired enantioselective small-molecule artificial receptor for β adrenergic agonists and antagonists and its application for enantioselective extraction.","Chemical communications (Cambridge, England)","2016","52","85","12582","12585","10.1039/c6cc06281d","","","1.54178","CuKα","","0.1013","0.0696","","","0.1723","0.1966","","","","","","1.029","","","","has coordinates","234452","2020-10-21","18:00:00",""
"7125087","8.0663","0.0007","16.177","0.002","14.023","0.002","90","","100.231","0.007","90","","1800.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 As2 F12 S12 -","- C20 H20 As2 F12 S12 -","- C40 H40 As4 F24 S24 -","2","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)2XF6 (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0996","0.0443","","","0.069","0.0824","","","","","","1.016","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125088","8.0746","0.0005","16.1837","0.0007","14.0446","0.0006","90","","100.159","0.004","90","","1806.53","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 As2 F12 S12 -","- C20 H20 As2 F12 S12 -","- C40 H40 As4 F24 S24 -","2","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)2XF6 (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.1282","0.05","","","0.0773","0.0952","","","","","","1.009","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125099","9.9792","0.0001","6.6848","0.0001","10.2099","0.0007","90","","96.735","0.007","90","","676.39","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Li, Fu-Zhuo; Li, Shuang; Zhang, Peng-Peng; Huang, Zhi-Hui; Zhang, Wei-Bin; Gong, Jianxian; Yang, Zhen","A chiral pool approach for asymmetric syntheses of (-)-antrocin, (+)-asperolide C, and (-)-trans-ozic acid.","Chemical communications (Cambridge, England)","2016","52","84","12426","12429","10.1039/c6cc06794h","","","1.54187","CuKα","","0.0547","0.0457","","","0.1109","0.1346","","","","","","1.157","","","","has coordinates","234514","2020-10-21","18:00:00",""
"7125113","8.243","0.0007","20.22","0.0018","12.5726","0.0012","90","","101.097","0.003","90","","2056.3","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H62 B K N O7 -","- C41 H62 B K N O7 -","- C82 H124 B2 K2 N2 O14 -","2","1","","Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P.","A boron-centered radical: a potassium-crown ether stabilized boryl radical anion.","Chemical communications (Cambridge, England)","2016","52","86","12714","12716","10.1039/c6cc06918e","","","0.71073","MoKα","","0.0353","0.0337","","","0.0861","0.087","","","","","","1.088","","","","has coordinates,has disorder","234525","2020-10-21","18:00:00",""
"7125138","9.903","0.0006","6.3446","0.0004","16.4435","0.0009","90","","94.703","0.005","90","","1029.68","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H18 O5 -","- C26 H18 O5 -","- C52 H36 O10 -","2","1","","Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.","Chemical communications (Cambridge, England)","2016","52","97","13955","13958","10.1039/c6cc07105h","","x-ray","1.54184","CuKα","","0.0548","0.0471","","","0.1296","0.1377","","","","","","1.056","","","","has coordinates","234547","2020-10-21","18:00:00",""
"7125139","11.1942","0.0008","6.6554","0.0005","16.7572","0.0013","90","","108.366","0.008","90","","1184.85","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C62 H40 O8 -","2","1","","Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.","Chemical communications (Cambridge, England)","2016","52","97","13955","13958","10.1039/c6cc07105h","","x-ray","1.54184","CuKα","","0.0538","0.0404","","","0.0921","0.0996","","","","","","1.012","","","","has coordinates","234547","2020-10-21","18:00:00",""
"7125201","6.26161","0.00011","25.924","0.0005","8.62429","0.00016","90","","102.226","0.0007","90","","1368.19","0.04","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-diethylformamide","","- C25 H32 Cl N5 O4 S -","- C25 H32 Cl N5 O4 S -","- C50 H64 Cl2 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0844","0.0739","","","0.1847","0.2054","","","","","","1.07","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125204","6.11235","0.00013","28.1898","0.0006","7.71338","0.00017","90","","92.9285","0.0013","90","","1327.33","0.05","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-dimethylacetamide","","- C24 H30 Cl N5 O4 S -","- C24 H30 Cl N5 O4 S -","- C48 H60 Cl2 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1583","0.1118","","","0.2752","0.3381","","","","","","1.078","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125205","5.99452","0.00011","23.7139","0.0004","9.33438","0.00017","90","","108.528","0.0011","90","","1258.14","0.04","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/dimethyl sulfoxide","","- C22 H27 Cl N4 O4 S2 -","- C22 H27 Cl N4 O4 S2 -","- C44 H54 Cl2 N8 O8 S4 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1164","0.0789","","","0.1667","0.2167","","","","","","1.086","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125206","6.191","0.00011","26.0113","0.0005","8.06978","0.00015","90","","102.689","0.001","90","","1267.79","0.04","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/N,N-dimethylacetamide","","- C24 H31 N5 O4 S -","- C24 H31 N5 O4 S -","- C48 H62 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1153","0.0764","","","0.1583","0.2091","","","","","","1.1","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125207","6.06973","0.00012","23.5497","0.0005","9.2011","0.0002","90","","108.609","0.0012","90","","1246.45","0.05","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/dioxane","","- C24 H30 N4 O5 S -","- C24 H30 N4 O5 S -","- C48 H60 N8 O10 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1195","0.0814","","","0.1545","0.1953","","","","","","0.887","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125208","6.00155","0.00011","26.1427","0.0005","8.40735","0.00015","90","","105.247","0.0009","90","","1272.66","0.04","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/dioxane","","- C24 H29 Cl N4 O5 S -","- C24 H29 Cl N4 O5 S -","- C48 H58 Cl2 N8 O10 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0552","0.0499","","","0.1047","0.1086","","","","","","0.996","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125209","6.21672","0.00011","26.581","0.0005","7.98985","0.00014","90","","99.504","0.0007","90","","1302.17","0.04","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/N,N-diethylformamide","","- C25 H33 N5 O4 S -","- C25 H33 N5 O4 S -","- C50 H66 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.062","0.0513","","","0.1175","0.1329","","","","","","1.069","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125210","7.3493","0.0002","6.04446","0.00019","23.3114","0.0006","90","","94.695","0.0017","90","","1032.08","0.05","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine","","- C20 H21 Cl N4 O3 S -","- C20 H21 Cl N4 O3 S -","- C40 H42 Cl2 N8 O6 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1052","0.0724","","","0.1559","0.2025","","","","","","1.066","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125216","5.074","0.002","29.696","0.014","8.498","0.004","90","","103.16","0.03","90","","1246.8","1","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N6 O9 -","- C24 H26 N6 O9 -","- C48 H52 N12 O18 -","2","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B9 gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.189","0.0825","","","0.2024","0.2638","","","","","","0.992","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125220","10.452","0.003","13.828","0.003","10.773","0.002","90","","90.102","0.007","90","","1557","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H24 B11 F2 N -","- C6 H24 B11 F2 N -","- C24 H96 B44 F8 N4 -","4","2","","Duda, Katharina; Himmelspach, Alexander; Landmann, Johannes; Kraus, Florian; Finze, Maik","Synthesis of the fluorohydridoborate anions [BHF3]- and [1-HF2B-9,12-X2-closo-1,2-C2B10H9]- (X = H, I): deboronation of 1,2- and 1,7-dicarba-closo-dodecaboranes with anhydrous [Me4N]F.","Chemical communications (Cambridge, England)","2016","52","90","13241","13244","10.1039/c6cc07711k","","","0.71073","MoKα","","0.0698","0.0688","","","0.1949","0.1965","","","","","","1.097","","","","has coordinates,has disorder","234607","2020-10-21","18:00:00",""
"7125224","8.8392","0.0005","12.746","0.0007","9.5979","0.0005","90","","99.664","0.004","90","","1066","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Lu, Danyang; Wan, Yimei; Kong, Lichun; Zhu, Gangguo","Copper-catalyzed cascade annulation between α-bromocarbonyls and biaryl or (Z)-arylvinylacetylenes enabling a direct synthesis of dibenzocycloheptanes and related compounds.","Chemical communications (Cambridge, England)","2016","52","97","13971","13974","10.1039/c6cc07727g","","","0.71073","MoKα","","0.1355","0.0637","","","0.1444","0.1847","","","","","","0.896","","","","has coordinates","234611","2020-10-21","18:00:00",""
"7125247","7.3082","0.0002","12.667","0.0004","7.9739","0.0003","90","","102.802","0.003","90","","719.82","0.04","100.5","0.6","100.5","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.","Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.","Chemical communications (Cambridge, England)","2016","52","91","13353","13356","10.1039/c6cc07855a","","","0.71073","MoKα","","0.026","0.0254","","","0.0581","0.0585","","","","","","1.019","","","","has coordinates","234625","2020-10-21","18:00:00",""
"7125306","13.0425","0.0003","10.2377","0.0003","16.1011","0.0004","90","","109.601","0.001","90","","2025.32","0.09","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","2","","Hornillos, Valentín; Ros, Abel; Ramírez-López, Pedro; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of axially chiral heterobiaryl alkynes via dynamic kinetic asymmetric alkynylation.","Chemical communications (Cambridge, England)","2016","52","98","14121","14124","10.1039/c6cc08997f","","","1.54178","CuKα","","0.0322","0.032","","","0.1021","0.1025","","","","","","0.98","","","","has coordinates","234694","2020-10-21","18:00:00",""
"7125307","7.6244","0.0004","7.9489","0.0004","18.4283","0.0009","90","","93.193","0.002","90","","1115.12","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H21 N O -","- C32 H21 N O -","- C64 H42 N2 O2 -","2","1","","Hornillos, Valentín; Ros, Abel; Ramírez-López, Pedro; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of axially chiral heterobiaryl alkynes via dynamic kinetic asymmetric alkynylation.","Chemical communications (Cambridge, England)","2016","52","98","14121","14124","10.1039/c6cc08997f","","","1.54175","CuKα","","0.0383","0.0378","","","0.108","0.1088","","","","","","1.058","","","","has coordinates","234694","2020-10-21","18:00:00",""
"7125359","7.583","0.0002","6.1506","0.0001","25.4866","0.0005","90","","95.003","0.002","90","","1184.17","0.04","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","1.54184","CuKα","","0.0453","0.0399","","","0.1009","0.1062","","","","","","1.0693","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125375","9.0479","0.0009","10.7246","0.0011","25.204","0.003","90","","98.105","0.004","90","","2421.2","0.5","193","2","192.98","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50.04 H35.42 F6 Ir N4 O2 P S2 -","- C50.05 H35.7 F6 Ir N4 O2 P S2 -","- C100.1 H71.4 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","1.34139","GaKα","","0.0513","0.0456","","","0.114","0.1188","","","","","","1.025","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125378","9.0612","0.0005","10.7892","0.0006","25.3691","0.0014","90","","97.738","0.001","90","","2457.6","0.2","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H36 F6 Ir N4 O2 P S2 -","- C50 H36 F6 Ir N4 O2 P S2 -","- C100 H72 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0567","0.0435","","","0.094","0.0997","","","","","","0.9963","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125432","12.1314","0.0004","10.4464","0.0004","15.7145","0.0006","90","","95.952","0.002","90","","1980.75","0.13","150","2","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C76 H112 N16 O16 -","4","2","","Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu","Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter.","Chemical communications (Cambridge, England)","2019","56","1","98","101","10.1039/c9cc08000g","","","1.54178","CuKα","","0.0625","0.0538","","","0.1273","0.1339","","","","","","1.051","","","","has coordinates","247573","2020-10-21","18:00:00",""
"7125452","18.08","0.006","16.715","0.006","32.015","0.008","90","","106.028","0.012","90","","9299","5","160","2","160.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C156 H124 B4 Fe2 N12 O16 -","- C156 H124 B4 Fe2 N12 O16 -","- C312 H248 B8 Fe4 N24 O32 -","2","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.0829","0.0597","","","0.152","0.1619","","","","","","0.994","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125534","6.1568","0.0006","7.4191","0.0007","12.9873","0.0012","90","","101.996","0.002","90","","580.28","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 O Si -","- C12 H16 O Si -","- C24 H32 O2 Si2 -","2","1","","Blake, Alexander J.; Giblin, Gerard M. P.; Kirk, Douglas T.; Simpkins, Nigel S.; Wilson, Claire","The enantioselective generation of bridgehead enolates","Chemical Communications","2001","","24","2668","","10.1039/b108986m","","","0.71073","MoKα","","0.0276","0.0266","","","0.0709","0.0719","","","","","","1.058","","","","has coordinates","243994","2020-10-21","18:00:00",""
"7125542","15.468","0.004","5.6049","0.0019","15.501","0.005","90","","98.61","0.02","90","","1328.7","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C52 H52 Br4 O8 -","4","2","","Ma, Shengming; Shi, Zhangjie","Mechanistic switch leading to highly efficient chirality transfer in Pd(0)-catalyzed coupling-cyclization of aryl iodides with 1:1 acid-base salts of 2,3-allenoic acids and L-(-)-cinchonidine or D-(+)-/L-(-)-alpha-methylbenzylamine. Enantioselective synthesis of highly optically active 3-aryl polysubstituted butenolides.","Chemical communications (Cambridge, England)","2002","","5","540","541","10.1039/b109645a","","","0.71069","MoKα","","0.1383","0.0504","","","0.1092","0.1398","","","","","","0.998","","","","has coordinates","244000","2020-10-21","18:00:00",""
"7125543","5.7446","0.0016","8.535","0.0012","16.9094","0.0019","90","","95.02","0.02","90","","825.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C38 H34 Br2 O4 -","2","1","","Ma, Shengming; Shi, Zhangjie","Mechanistic switch leading to highly efficient chirality transfer in Pd(0)-catalyzed coupling-cyclization of aryl iodides with 1:1 acid-base salts of 2,3-allenoic acids and L-(-)-cinchonidine or D-(+)-/L-(-)-alpha-methylbenzylamine. Enantioselective synthesis of highly optically active 3-aryl polysubstituted butenolides.","Chemical communications (Cambridge, England)","2002","","5","540","541","10.1039/b109645a","","","0.71069","MoKα","","0.1058","0.0572","","","0.1384","0.1605","","","","","","1.026","","","","has coordinates","244000","2020-10-21","18:00:00",""
"7125559","32.537","0.004","19.013","0.002","33.136","0.006","90","","98.428","0.007","90","","20277","5","290","","290","","","","","","","","","3","P 1 21 1","P 2yb","4","delta-cyclodextrin","cyclomaltononaose cycloundecanone","","- C301 H618.8 O237.4 -","- C304 H252 O237.4 -","- C608 H504 O474.8 -","2","1","","Harata, Kazuaki; Akasaka, Hiroaki; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa","X-ray structure of the delta-cyclodextrin complex with cycloundecanone.","Chemical communications (Cambridge, England)","2002","","17","1968","1969","10.1039/b205249k","","","1.5418","CuKα","","0.0818","0.0788","","","0.2194","0.2236","","","","","","1.093","","","","has coordinates,has disorder","244037","2020-10-21","18:00:00",""
"7125566","9.099","0.005","5.098","0.002","10.075","0.005","90","","108.445","0.006","90","","443.3","0.4","293.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H7 N O3 S Zn -","- C7 H6 N O3 S Zn -","- C14 H12 N2 O6 S2 Zn2 -","2","1","","Kondo, Mitsuru; Miyazawa, Makoto; Irie, Yasuhiko; Shinagawa, Reiko; Horiba, Tomonori; Nakamura, Akira; Naito, Tetsuyoshi; Maeda, Kenji; Utsuno, Shunji; Uchida, Fumio","A new Zn(II) coordination polymer with 4-pyridylthioacetate: assemblies of homo-chiral helices with sulfide sites.","Chemical communications (Cambridge, England)","2002","","18","2156","2157","10.1039/b205866a","","","0.7107","MoKα","","","0.061","","","","0.0821","","","","","","1.949","","","","has coordinates","244043","2020-10-21","18:00:00",""
"7125576","17.179","0.005","13.686","0.004","19.053","0.006","90","","108.845","0.005","90","","4239","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","t-Butoxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-alanyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl)-leucyl -(alpha-aminoisobutyryl)-valyl-methyl ester monohydrate","","- C67 H121 N13 O17 -","- C67 H121 N13 O17 -","- C134 H242 N26 O34 -","2","1","","Aravinda, Subrayashastry; Shamala, Narayanaswamy; Desiraju, Shrilakshmi; Balaram, Padmanabhan","A right handed peptide helix containing a central double D-amino acid segment.","Chemical communications (Cambridge, England)","2002","","20","2454","2455","10.1039/b207960g","","","0.71073","MoKα","","0.1592","0.0868","","","0.2181","0.2629","","","","","","1.039","","","","has coordinates","244056","2020-10-21","18:00:00",""
"7125580","8.4615","0.0017","8.3695","0.0017","18.759","0.004","90","","97.15","0.03","90","","1318.2","0.5","30","2","30","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Money, Victoria A.; Evans, Ivana Radosavljevic; Halcrow, Malcolm A.; Goeta, Andrés E; Howard, Judith A. K.","Light induced excited high spin-state trapping in [FeL2](BF4)2 (L = 2,6-di(pyrazol-1-yl)pyridine).","Chemical communications (Cambridge, England)","2003","","1","158","159","10.1039/b210146g","","","0.71073","MoKα","","0.031","0.0296","","","0.0749","0.0759","","","","","","1.058","","","","has coordinates","244061","2020-10-21","18:00:00",""
"7125581","8.4098","0.0004","8.4731","0.0004","18.2909","0.0009","90","","98.575","0.001","90","","1288.79","0.11","30","2","30","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Money, Victoria A.; Evans, Ivana Radosavljevic; Halcrow, Malcolm A.; Goeta, Andrés E; Howard, Judith A. K.","Light induced excited high spin-state trapping in [FeL2](BF4)2 (L = 2,6-di(pyrazol-1-yl)pyridine).","Chemical communications (Cambridge, England)","2003","","1","158","159","10.1039/b210146g","","","0.71073","MoKα","","0.0358","0.0315","","","0.0675","0.0691","","","","","","1.024","","","","has coordinates","244061","2020-10-21","18:00:00",""
"7125600","6.031","0.005","8.634","0.005","18.78","0.005","90","","94.933","0.005","90","","974.3","1","293","2","293","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N3 O4 -","- C17 H31 N3 O4 -","- C34 H62 N6 O8 -","2","1","","Reddy, Damodara N.; Thirupathi, Ravula; Prabhakaran, Erode N.","Accessing the disallowed conformations of peptides employing amide-to-imidate modification.","Chemical communications (Cambridge, England)","2011","47","33","9417","9419","10.1039/c1cc13515e","","x-ray","0.71073","MoKα","","0.073","0.0568","","","0.1401","0.1503","","","","","","1.066","","","","has coordinates","244142","2020-10-21","18:00:00",""
"7125631","11.116","0.0007","14.9218","0.001","15.4714","0.001","90","","100.85","0.003","90","","2520.4","0.3","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C66 H50 N8 -","- C66 H50 N8 -","- C132 H100 N16 -","2","1","","Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo","Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution","Chemical Communications","2019","","","","","10.1039/C9CC08679J","","","1.54178","CuKα","","0.0594","0.0419","","","0.1004","0.123","","","","","","1.073","","","","has coordinates","244816","2020-10-21","18:00:00",""
"7125692","7.25874","0.00008","6.61591","0.00006","18.72215","0.00018","90","","91.4852","0.0009","90","","898.795","0.015","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O5 S2 -","- C14 H24 N2 O5 S2 -","- C28 H48 N4 O10 S4 -","2","1","","Escolano, Marcos; Guerola, Marta; Torres, Javier; Gaviña, Daniel; Alzuet-Piña, Gloria; Sánchez-Rosello, María; Del Pozo, Carlos","Organocatalytic enantioselective synthesis of 2,5,5-trisubstituted piperidines bearing a quaternary stereocenter. Vinyl sulfonamide as a new amine protecting group.","Chemical communications (Cambridge, England)","2020","56","9","1425","1428","10.1039/c9cc09113k","","x-ray","1.54184","CuKα","","0.0251","0.0248","","","0.0655","0.0657","","","","","","1.059","","","","has coordinates","247613","2020-10-21","18:00:00",""
"7125698","16.7954","0.0001","10.6132","0.0001","16.8783","0.0001","90","","119.057","0.001","90","","2629.93","0.04","100","2","100","2","","","","","","","Lindera glauca?Lindera?Lauraceae","3","P 1 21 1","P 2yb","4","Guaianelactone A","(1S,3aR,4R,7R,8aS)-4-hydroxy-1,4-dimethyl-9-methyleneoctahydro-1H-3a,7-(epoxyethano)azulen-10-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","4","","Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang","Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.","Chemical communications (Cambridge, England)","2020","56","10","1517","1520","10.1039/c9cc09159a","","","1.54184","CuKα","","0.0319","0.0309","","","0.0791","0.08","","","","","","1.049","","","","has coordinates","248802","2020-10-21","18:00:00",""
"7125714","11.8441","0.0007","10.6009","0.0008","15.1947","0.0009","90","","103.393","0.006","90","","1855.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H42 Cl N O3 -","- C41 H42 Cl N O3 -","- C82 H84 Cl2 N2 O6 -","2","1","","You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.","Chemical communications (Cambridge, England)","2020","56","3","439","442","10.1039/c9cc08316b","","x-ray","1.54184","CuKα","","0.0544","0.0439","","","0.1096","0.1199","","","","","","1.033","","","","has coordinates","246447","2020-10-21","18:00:00",""
"7125753","9.5141","0.0005","22.5212","0.0009","12.1912","0.0007","90","","98.997","0.004","90","","2580.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H45 Cl8 N5 P2 Ru -","- C51 H45 Cl8 N5 P2 Ru -","- C102 H90 Cl16 N10 P4 Ru2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0644","0.0499","","","0.1162","0.1238","","","","","","1.05","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125787","10.622","0.0017","29.251","0.004","15.2076","0.0012","90","","91.972","0.011","90","","4722.3","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H59 O10 Si2 -","- C48 H59 O10 Si2 -","- C192 H236 O40 Si8 -","4","2","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0453","0.0374","","","0.0912","0.0985","","","","","","0.966","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125789","11.2418","0.0003","6.7238","0.0002","12.8125","0.0004","90","","102.473","0.001","90","","945.61","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O10 -","- C18 H24 O10 -","- C36 H48 O20 -","2","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0275","0.0272","","","0.071","0.0712","","","","","","1.039","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125790","9.696","0.0007","21.8766","0.0015","10.7943","0.0007","90","","114.535","0.002","90","","2082.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 O8 Si -","- C17 H28 O8 Si -","- C68 H112 O32 Si4 -","4","2","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","0.71073","MoKα","","0.0615","0.0452","","","0.1049","0.1165","","","","","","1.012","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125877","9.314","0.0004","21.8053","0.0013","9.5831","0.0005","90","","94.306","0.004","90","","1940.78","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Cl N3 O4 -","- C21 H16 Cl N3 O4 -","- C84 H64 Cl4 N12 O16 -","4","2","","Ge, Zhen-Zhen; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhou, Ming-Qiang; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Asymmetric dearomatization of 2-nitrobenzofurans by organocatalyzed one-step Michael addition to access 3,3'-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2020","56","17","2586","2589","10.1039/c9cc09939e","","x-ray","1.54184","CuKα","","0.0508","0.0448","","","0.113","0.1204","","","","","","1.032","","","","has coordinates","248810","2020-10-21","18:00:00",""
"7125884","9.529","0.0019","23.743","0.005","18.276","0.004","90","","96.35","0.03","90","","4109.5","1.5","100","2","100","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C70 H111 F3 N10 O24 -","- C70.3 H95.1 F2.1 N10 O22.3 -","- C140.6 H190.2 F4.2 N20 O44.6 -","2","1","","Cringoli, Maria Cristina; Romano, Chiara; Parisi, Evelina; Waddington, Lynne J.; Melchionna, Michele; Semeraro, Sabrina; De Zorzi, Rita; Grönholm, Mikaela; Marchesan, Silvia","Bioadhesive supramolecular hydrogel from unprotected, short d,l-peptides with Phe-Phe and Leu-Asp-Val motifs.","Chemical communications (Cambridge, England)","2020","56","20","3015","3018","10.1039/c9cc09947f","","x-ray","0.7","Synchrotron","","0.1155","0.0939","","","0.256","0.2819","","","","","","0.971","","","","has coordinates","250190","2020-10-21","18:00:00",""
"7125910","13.565","0.003","12.45","0.003","20.554","0.004","90","","107.915","0.003","90","","3302.9","1.3","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67.57 H98.78 Br0.36 Mg2 O12 -","- C67.568 H95.494 Br0.358 Mg2 O12 -","- C135.136 H190.988 Br0.716 Mg4 O24 -","2","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.0996","0.0768","","","0.2181","0.2354","","","","","","1.059","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125931","10.02302","0.00017","22.8571","0.0004","15.9505","0.0003","90","","91.5838","0.0017","90","","3652.82","0.11","109.5","0.7","109.5","0.7","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H80 B2 F4 I4 N4 O23 V6 -","- C58 H80 B2 F4 I4 N6 O23 V6 -","- C116 H160 B4 F8 I8 N12 O46 V12 -","2","1","","Gu, Yaqi; Li, Qi; Huang, Yichao; Zhu, Yingting; Wei, Yongge; Ruhlmann, Laurent","Polyoxovanadate-iodobodipy supramolecular assemblies: new agents for high efficiency cancer photochemotherapy.","Chemical communications (Cambridge, England)","2020","56","19","2869","2872","10.1039/c9cc09944a","","x-ray","1.54184","CuKα","","0.0792","0.0693","","","0.193","0.2118","","","","","","0.895","","","","has coordinates,has disorder","250179","2020-10-21","18:00:00",""
"7125938","10.264","0.0003","12.5469","0.0003","20.5284","0.0005","90","","101.807","0.001","90","","2587.74","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","2","","Wang, Wen-Li; Liu, Xiao-Qin; Zhang, Mei-Hui; Lin, Bin; Zhu, Dong-Rong; Li, Ling-Nan; Chen, Chen; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taxodisones A and B: bioactive C30-terpenes with new skeletons from Taxodium distichum and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","22","3329","3332","10.1039/c9cc09433d","","","1.54184","CuKα","","0.0363","0.0333","","","0.0854","0.092","","","","","","1.036","","","","has coordinates","250165","2020-10-21","18:00:00",""
"7125944","17.0256","0.0012","17.8637","0.0013","17.9461","0.0012","90","","112.061","0.002","90","","5058.5","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H53 Cr F8 N3 O4 S -","- C49 H53 Cr F8 N3 O4 S -","- C196 H212 Cr4 F32 N12 O16 S4 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1309","0.0671","","","0.1373","0.1661","","","","","","1.018","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125987","11.6605","0.0012","5.8592","0.0007","13.2196","0.0013","90","","92.925","0.006","90","","902","0.17","152","2","151.67","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 Se -","- C20 H23 N3 Se -","- C40 H46 N6 Se2 -","2","1","","Zhu, Li-Li; Tian, Lifang; Cai, Bin; Liu, Guanglu; Zhang, Hui; Wang, Yahui","Diamine-mediated N2-selective β-selenoalkylation of triazoles with alkenes.","Chemical communications (Cambridge, England)","2020","56","20","2979","2982","10.1039/d0cc00601g","","","0.71073","MoKα","","0.0455","0.0337","","","0.065","0.0679","","","","","","1.074","","","","has coordinates","250188","2020-10-21","18:00:00",""
"7126002","11.25978","0.00006","5.81649","0.00004","12.31963","0.00006","90","","94.0216","0.0005","90","","804.855","0.008","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C36 H36 F6 N2 O4 -","2","1","","Sun, Xi-Shang; Ou-Yang, Qiu; Xu, Shi-Ming; Wang, Xing-Heng; Tao, Hai-Yan; Chung, Lung Wa; Wang, Chun-Jiang","Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution.","Chemical communications (Cambridge, England)","2020","56","22","3333","3336","10.1039/d0cc00845a","","x-ray","1.54184","CuKα","","0.0248","0.0248","","","0.0665","0.0665","","","","","","1.083","","","","has coordinates","250158","2020-10-21","18:00:00",""
"7126007","6.6674","0.0001","16.3925","0.0003","11.6108","0.0002","90","","101.031","0.001","90","","1245.56","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","2","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","x-ray","0.71073","MoKα","","0.0518","0.0409","","","0.1096","0.1153","","","","","","1.004","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126059","8.7797","0.0007","19.0092","0.0015","12.9597","0.001","90","","90.5449","0.0016","90","","2162.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H62 N6 O8 Zn -","- C43 H62 N6 O8 Zn -","- C86 H124 N12 O16 Zn2 -","2","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0965","0.0555","","","0.1182","0.1404","","","","","","1.012","","","","has coordinates","250197","2020-10-21","18:00:00",""
"7126110","8.6142","0.0009","15.2562","0.0015","10.0113","0.001","90","","93.761","0.004","90","","1312.9","0.2","100","1","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 S2 -","- C26 H25 Br N2 O6 S2 -","- C52 H50 Br2 N4 O12 S4 -","2","1","","Wu, Ju; Abou-Hamdan, Hussein; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical synthesis of 3a-bromofuranoindolines and 3a-bromopyrroloindolines mediated by MgBr2.","Chemical communications (Cambridge, England)","2020","56","11","1713","1716","10.1039/c9cc09276e","","x-ray","1.54178","CuKα","","0.0232","0.0227","","","0.0559","0.0562","","","","","","1.036","","","","has coordinates","248735","2020-10-21","18:00:00",""
"7126136","6.7885","0.0004","7.9643","0.0004","26.039","0.002","90","","94.113","0.006","90","","1404.19","0.15","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H35 N7 O -","- C32 H35 N7 O -","- C64 H70 N14 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.1017","0.0799","","","0.1706","0.1845","","","","","","1.068","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126147","14.2375","0.001","4.3802","0.0003","15.0293","0.0014","90","","104.466","0.009","90","","907.56","0.13","100.03","0.11","100.03","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.58824 H2.47059 N0.352941 O0.235294 -","- C44 H42 N6 O4 -","17","8.5","","Hossain, Munshi Sahid; Rahaman, Sk Atiur; Hatai, Joydev; Saha, Monochura; Bandyopadhyay, Subhajit","Switching the recognition ability of a photoswitchable receptor towards phosphorylated anions.","Chemical communications (Cambridge, England)","2020","56","30","4172","4175","10.1039/d0cc00926a","","x-ray","0.71073","MoKα","","0.0644","0.0553","","","0.1231","0.1287","","","","","","1.097","","","","has coordinates","251567","2020-10-21","18:00:00",""
"7126217","10.8096","0.0002","36.2399","0.0005","15.9889","0.0003","90","","92.324","0.002","90","","6258.32","0.19","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C48 H49 Al Cl2 F36 N4 O4 Si -","- C48 H49 Al Cl2 F36 N4 O4 Si -","- C192 H196 Al4 Cl8 F144 N16 O16 Si4 -","4","2","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.1566","0.1471","","","0.3855","0.4004","","","","","","1.723","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126218","11.0279","0.0001","19.9344","0.0002","17.9479","0.0002","90","","107.293","0.001","90","","3767.22","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H72 Al F36 N5 O4 Sn -","- C57 H72 Al F36 N5 O4 Sn -","- C114 H144 Al2 F72 N10 O8 Sn2 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0522","0.049","","","0.1353","0.1408","","","","","","1.051","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126233","12.845","0.002","16.759","0.003","14.762","0.003","90","","107.779","0.009","90","","3026","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H88 Li2 N2 O5 -","- C65.996 H87.992 Li2 N2 O4.999 -","- C131.992 H175.984 Li4 N4 O9.998 -","2","1","","Schmidlin, Nadja M. C.; Scherer, Harald; Hoffmann, Anke; Böttcher, Tobias","Isolation and characterization of a lithiated pyridine - aggregation in the solid state and in solution.","Chemical communications (Cambridge, England)","2020","56","30","4160","4163","10.1039/d0cc01355b","","","0.71073","MoKα","","0.0817","0.0773","","","0.2194","0.2218","","","","","","1.113","","","","has coordinates,has disorder","251568","2020-10-21","18:00:00",""
"7126247","7.7349","0.0014","9.6402","0.0017","9.3298","0.0016","90","","101.782","0.003","90","","681","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","","Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin","Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2020","56","36","4934","4937","10.1039/d0cc01220c","","","0.71073","MoKα","","0.0248","0.0241","","","0.0721","0.0729","","","","","","1.142","","","","has coordinates","252718","2020-10-21","18:00:00",""
"7126323","22.6094","0.0003","17.959","0.0002","29.4427","0.0004","90","","111.156","0.002","90","","11149.2","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H82 N4 O3 -","- C61 H82 N4 O3 -","- C488 H656 N32 O24 -","8","4","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","0.71073","MoKα","","0.0968","0.0656","","","0.1604","0.1866","","","","","","0.99","","","","has coordinates,has disorder","251580","2020-10-21","18:00:00",""
"7126359","10.2475","0.0006","4.8212","0.0002","15.131","0.0008","90","","109.221","0.006","90","","705.88","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H12 B2 F4 N4 O -","- C12 H12 B2 F4 N4 O -","- C24 H24 B4 F8 N8 O2 -","2","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF2 chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0813","0.0857","","","","","","1.112","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126372","20.314","0.005","24.463","0.005","28.508","0.006","90","","91.975","0.005","90","","14158","5","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C169 H128 Ce20 Cl16 N3 O62 -","- C169 H128 Ce20 Cl16 N3 O62 -","- C338 H256 Ce40 Cl32 N6 O124 -","2","1","","Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George","Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.","Chemical communications (Cambridge, England)","2020","56","40","5382","5385","10.1039/c9cc08419c","","","0.71073","MoKα","","0.1421","0.0582","","","0.1302","0.1711","","","","","","0.976","","","","has coordinates","252713","2020-10-21","18:00:00",""
"7126416","12.652","0.004","18.915","0.004","21.672","0.005","90","","105.25","0.02","90","","5004","2","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H58 N8 O24 Zn3 -","- C94 H58 N8 O24 Zn3 -","- C188 H116 N16 O48 Zn6 -","2","1","","Li, Peng; Sui, Qi; Guo, Meng-Yue; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing","Selective chemochromic and chemically-induced photochromic response of a metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","44","5929","5932","10.1039/d0cc01627f","","","1.54178","CuKα","","0.0762","0.061","","","0.1682","0.1849","","","","","","0.995","","","","has coordinates,has disorder","252677","2020-10-21","18:00:00",""
"7126450","10.5637","0.0003","7.3903","0.0002","13.8954","0.0004","90","","98.8924","0.0011","90","","1071.76","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 B F10 N S -","- C23 H16 B F10 N S -","- C46 H32 B2 F20 N2 S2 -","2","1","","Fischer, Malte; Schmidtmann, Marc","B(C6F5)3- and HB(C6F5)2-mediated transformations of isothiocyanates.","Chemical communications (Cambridge, England)","2020","56","46","6205","6208","10.1039/d0cc02626c","","","0.71073","MoKα","","0.0399","0.0375","","","0.0983","0.1","","","","","","1.091","","","","has coordinates","253791","2020-10-21","18:00:00",""
"7126458","8.1522","0.0003","4.739","0.0002","9.7711","0.0004","90","","99.908","0.004","90","","371.86","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 F O4 -","- C6 H11 F O4 -","- C12 H22 F2 O8 -","2","1","","Valverde, Pablo; Vendeville, Jean-Baptiste; Hollingsworth, Kristian; Mattey, Ashley P.; Keenan, Tessa; Chidwick, Harriet; Ledru, Helene; Huonnic, Kler; Huang, Kun; Light, Mark E.; Turner, Nicholas; Jiménez-Barbero, Jesús; Galan, M. Carmen; Fascione, Martin A.; Flitsch, Sabine; Turnbull, W. Bruce; Linclau, Bruno","Chemoenzymatic synthesis of 3-deoxy-3-fluoro-l-fucose and its enzymatic incorporation into glycoconjugates.","Chemical communications (Cambridge, England)","2020","56","47","6408","6411","10.1039/d0cc02209h","","x-ray","0.71073","MoKα","","0.0304","0.0296","","","0.0785","0.0791","","","","","","1.075","","","","has coordinates","253810","2020-10-21","18:00:00",""
"7126510","5.6933","0.0004","12.7845","0.001","15.7666","0.0013","90","","99.16","0.007","90","","1132.95","0.15","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl F3 N4 -","- C25 H22 Cl F3 N4 -","- C50 H44 Cl2 F6 N8 -","2","1","","Stewart, Hannah L.; Hanby, Abigail R.; King, Thomas A.; Bond, Andrew D.; Moss, Thomas A.; Sore, Hannah F.; Spring, David R.","An efficient, stereocontrolled and versatile synthetic route to bicyclic partially saturated privileged scaffolds.","Chemical communications (Cambridge, England)","2020","56","50","6818","6821","10.1039/d0cc02728f","","","1.54178","CuKα","","0.1503","0.0854","","","0.1705","0.2028","","","","","","1.039","","","","has coordinates,has disorder","253801","2020-10-21","18:00:00",""
"7126557","5.9613","0.0003","7.6228","0.0003","10.163","0.0004","90","","105.627","0.004","90","","444.75","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C12 H26 F2 I2 N2 -","2","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-Tc organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0187","0.0185","","","0.0476","0.0477","","","","","","1.004","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126560","5.9585","0.0002","7.6205","0.0003","10.1558","0.0004","90","","105.571","0.004","90","","444.22","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C12 H26 F2 I2 N2 -","2","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-Tc organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0186","0.0184","","","0.0473","0.0474","","","","","","1.002","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126565","11.3631","0.0006","20.5225","0.0009","11.963","0.0005","90","","117.897","0.002","90","","2465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N3 O -","- C28 H28 Br N3 O -","- C112 H112 Br4 N12 O4 -","4","2","","Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi","Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.","Chemical communications (Cambridge, England)","2020","56","53","7265","7268","10.1039/d0cc02380a","","","0.71073","MoKα","","0.1313","0.0618","","","0.1408","0.1632","","","","","","1.015","","","","has coordinates","253777","2020-10-21","18:00:00",""
"7126566","12.0096","0.0013","13.3196","0.0014","16.1216","0.0017","90","","109.131","0.002","90","","2436.4","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","2","","Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi","Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.","Chemical communications (Cambridge, England)","2020","56","53","7265","7268","10.1039/d0cc02380a","","","0.71073","MoKα","","0.0626","0.0427","","","0.0946","0.1065","","","","","","0.999","","","","has coordinates","253777","2020-10-21","18:00:00",""
"7126593","10.2137","0.0018","9.2639","0.0015","11.792","0.002","90","","110.27","0.005","90","","1046.6","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O5 P -","- C22 H25 O5 P -","- C44 H50 O10 P2 -","2","1","","Verma, Ram Subhawan; Khatana, Anil Kumar; Mishra, Monika; Kumar, Shailesh; Tiwari, Bhoopendra","Access to enantioenriched 4-phosphorylated δ-lactones from β-phosphorylenones and enals via carbene organocatalysis.","Chemical communications (Cambridge, England)","2020","56","52","7155","7158","10.1039/d0cc03204b","","","0.71073","MoKα","","0.1151","0.0483","","","0.08","0.095","","","","","","1.014","","","","has coordinates","253782","2020-10-21","18:00:00",""
"7126595","10.3667","0.0003","6.84234","0.00018","12.9093","0.0004","90","","110.345","0.003","90","","858.56","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O9 -","- C16 H16 N2 O9 -","- C32 H32 N4 O18 -","2","1","","Ghouilem, Juba; Franco, Rémi; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Regio- and diastereoselective Pd-catalyzed synthesis of C2-aryl glycosides.","Chemical communications (Cambridge, England)","2020","56","52","7175","7178","10.1039/d0cc02175j","","x-ray","0.71073","MoKα","","0.0447","0.0433","","","0.1142","0.1161","","","","","","1.074","","","","has coordinates","253789","2020-10-21","18:00:00",""
"7126876","4.9097","0.0006","20.9012","0.0019","16.8201","0.0014","90","","96.123","0.009","90","","1716.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.0641","0.0576","","","0.1515","0.1584","","","","","","1.076","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126878","7.7307","0.0003","5.8517","0.0002","20.5811","0.0014","90","","92.53","0.007","90","","930.13","0.08","233","2","233","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-1-methoxy-4-(5-(2-(4-methoxyphenoxy)propan-2-yl)cyclopent-1-en-1-yl)benzene","","- C22 H26 O3 -","- C22 H26 O3 -","- C44 H52 O6 -","2","1","","Han, Xu; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud","Enantioselective gold(i)-catalyzed cyclization/intermolecular nucleophilic additions of 1,5-enyne derivatives.","Chemical communications (Cambridge, England)","2020","56","66","9457","9460","10.1039/d0cc00914h","","","1.54187","CuKα","","0.0382","0.0329","","","0.083","0.0912","","","","","","1.127","","","","has coordinates","255981","2020-10-21","18:00:00",""
"7126879","11.6796","0.0002","19.9722","0.0003","13.188","0.0002","90","","104.793","0.001","90","","2974.36","0.08","223.4","0.8","223.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl3 N O4 P4 Ru -","- C66 H56 Cl3 N O4 P4 Ru -","- C132 H112 Cl6 N2 O8 P8 Ru2 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0316","0.0305","","","0.0779","0.0788","","","","","","1.049","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126880","11.624","0.0002","19.9252","0.0002","13.1753","0.0002","90","","104.818","0.001","90","","2950.05","0.08","173","0.14","173","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl3 N O4 Os P4 -","- C66 H56 Cl3 N O4 Os P4 -","- C132 H112 Cl6 N2 O8 Os2 P8 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0257","0.0255","","","0.0661","0.0663","","","","","","1.044","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126888","7.4286","0.0004","7.2641","0.0003","17.1612","0.0008","90","","96.473","0.002","90","","920.15","0.08","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 S -","- C20 H16 Br N O2 S -","- C40 H32 Br2 N2 O4 S2 -","2","1","","Blay, Gonzalo; Castilla, Alvaro; Sanz, David; Sanz-Marco, Amparo; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective zinc-mediated conjugate alkynylation of saccharin-derived 1-aza-butadienes.","Chemical communications (Cambridge, England)","2020","56","66","9461","9464","10.1039/d0cc04221h","","","0.71073","MoKα","","0.0791","0.0451","","","0.1152","0.1343","","","","","","0.989","","","","has coordinates","255984","2020-10-21","18:00:00",""
"7126916","11.9152","0.0007","7.6328","0.0005","16.9893","0.0011","90","","93.025","0.006","90","","1542.96","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl2 N O2 S -","- C14 H17 Cl2 N O2 S -","- C56 H68 Cl8 N4 O8 S4 -","4","2","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1H-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","0.71073","MoKα","","0.0778","0.0615","","","0.1388","0.1485","","","","","","1.034","","","","has coordinates,has disorder","256013","2020-10-21","18:00:00",""
"7126917","8.2726","0.0002","8.1657","0.0002","20.9582","0.0009","90","","94.621","0.003","90","","1411.16","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H29 Br N2 O6 S -","- C29 H29 Br N2 O6 S -","- C58 H58 Br2 N4 O12 S2 -","2","1","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1H-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","0.71073","MoKα","","0.0485","0.0362","","","0.0655","0.0701","","","","","","1.04","","","","has coordinates","256013","2020-10-21","18:00:00",""
"7126919","13.9352","0.0004","23.768","0.0005","13.9594","0.0004","90","","113.163","0.003","90","","4250.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H44 Cl N7 O8 S -","- C44 H44 Cl N7 O8 S -","- C176 H176 Cl4 N28 O32 S4 -","4","2","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1H-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","1.54184","CuKα","","0.0647","0.045","","","0.0951","0.107","","","","","","1.018","","","","has coordinates,has disorder","256013","2020-10-21","18:00:00",""
"7126933","6.5229","0.0016","20.072","0.005","10.299","0.003","90","","104.225","0.003","90","","1307.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Kurogi-Cr","[CrCl(dme)](CHSiMe3)(Cl)2","","- C15 H37 Cl4 Cr2 O4 Si -","- C12 H30 Cl4 Cr2 O4 Si -","- C24 H60 Cl8 Cr4 O8 Si2 -","2","1","","Murai, Masahito; Taniguchi, Ryuji; Kurogi, Takashi; Shunsuke, Moritani; Takai, Kazuhiko","Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes.","Chemical communications (Cambridge, England)","2020","56","67","9711","9714","10.1039/d0cc03986a","","","0.71075","MoKα","","0.0348","0.0298","","","0.0608","0.0626","","","","","","1.006","","","","has coordinates","256032","2020-10-21","18:00:00",""
"7126937","8.2617","0.0003","14.3435","0.0006","10.6028","0.0004","90","","98.182","0.001","90","","1243.66","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H12 F10 S2 Sn -","- C26 H12 F10 S2 Sn -","- C52 H24 F20 S4 Sn2 -","2","1","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0181","0.0171","","","0.0399","0.0402","","","","","","1.053","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126941","9.8916","0.0008","10.1278","0.0008","14.6801","0.001","90","","98.829","0.003","90","","1453.23","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N3 O6 -","- C29 H37 N3 O6 -","- C58 H74 N6 O12 -","2","1","","Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru","Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine.","Chemical communications (Cambridge, England)","2020","56","66","9517","9520","10.1039/d0cc02273j","","","0.71073","MoKα","","0.0396","0.0359","","","0.0875","0.0896","","","","","","1.347","","","","has coordinates","255990","2020-10-21","18:00:00",""
"7126944","11.8308","0.0005","4.88","0.0002","12.3237","0.0006","90","","111.046","0.002","90","","664.04","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 Br O3 -","- C13 H15 Br O3 -","- C26 H30 Br2 O6 -","2","1","","Zhang, Yu-Long; Zhao, Zhen-Ni; Li, Wang-Lai; Li, Jing-Jie; Kalita, Subarna Jyoti; Schneider, Uwe; Huang, Yi-Yong","Catalytic asymmetric aldehyde prenylation and application in the total synthesis of (-)-rosiridol and (-)-bifurcadiol.","Chemical communications (Cambridge, England)","2020","56","69","10030","10033","10.1039/d0cc00367k","","","1.54178","CuKα","","0.071","0.0687","","","0.1703","0.1724","","","","","","1.059","","","","has coordinates","255965","2020-10-21","18:00:00",""
"7126954","12.795","0.0004","7.636","0.0002","13.0428","0.0004","90","","114.686","0.001","90","","1157.86","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N3 O2 S -","- C26 H27 N3 O2 S -","- C52 H54 N6 O4 S2 -","2","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","1.54178","CuKα","","0.0266","0.026","","","0.0687","0.0693","","","","","","1.045","","","","has coordinates","255957","2020-10-21","18:00:00",""
"7127072","13.3538","0.001","10.7542","0.001","15.7395","0.0012","90","","96.853","0.007","90","","2244.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10.8 H7 Cl0.4 N0.8 -","- C10.8 H6.8 Cl0.4 N0.8 -","- C108 H68 Cl4 N8 -","10","5","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly meta-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0909","0.0836","","","0.227","0.2423","","","","","","1.042","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127080","8.29029","0.00017","20.9516","0.0004","8.39594","0.00016","90","","97.0201","0.0018","90","","1447.4","0.05","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H31 Cl N2 O4 S -","- C32 H31 Cl N2 O4 S -","- C64 H62 Cl2 N4 O8 S2 -","2","1","","Lu, Dongming; Wu, Jia-Hong; Pan, Jianke; Chen, Xue; Ren, Xiaoyu; Wang, Tianli","Asymmetric synthesis of benzothiazolopyrimidines with high catalytic efficiency and stereoselectivity under bifunctional phosphonium salt systems.","Chemical communications (Cambridge, England)","2020","56","76","11231","11234","10.1039/d0cc04820h","","x-ray","1.54184","CuKα","","0.0554","0.0536","","","0.1369","0.1404","","","","","","1.048","","","","has coordinates","257250","2020-10-21","18:00:00",""
"7127082","11.2111","0.0002","6.05545","0.00012","13.6909","0.0003","90","","112.986","0.003","90","","855.65","0.04","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 F0.5 N3 O6 P -","- C15 H17 F N3 O5 P -","- C30 H34 F2 N6 O10 P2 -","2","1","","Wu, Wei; Wang, Yan; Guo, Jing; Cai, Liu; Chen, Yuan; Huang, Yanmin; Peng, Yungui","Asymmetric acyl-Mannich reaction of isoquinolines with α-(diazomethyl)phosphonate and diazoacetate catalyzed by chiral Brønsted acids.","Chemical communications (Cambridge, England)","2020","56","76","11235","11238","10.1039/d0cc03201h","","x-ray","1.54184","CuKα","","0.0425","0.0405","","","0.1041","0.107","","","","","","0.99","","","","has coordinates","257245","2020-10-21","18:00:00",""
"7127083","7.32373","0.0001","15.62333","0.00014","8.2508","0.0001","90","","112.635","0.0015","90","","871.35","0.02","294","0.3","294","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C32 H36 Br2 N6 O8 -","2","1","","Wu, Wei; Wang, Yan; Guo, Jing; Cai, Liu; Chen, Yuan; Huang, Yanmin; Peng, Yungui","Asymmetric acyl-Mannich reaction of isoquinolines with α-(diazomethyl)phosphonate and diazoacetate catalyzed by chiral Brønsted acids.","Chemical communications (Cambridge, England)","2020","56","76","11235","11238","10.1039/d0cc03201h","","x-ray","1.54184","CuKα","","0.0386","0.0383","","","0.1058","0.1063","","","","","","1.041","","","","has coordinates","257245","2020-10-21","18:00:00",""
"7127085","11.8701","0.0004","9.35538","0.00018","12.279","0.0004","90","","117.558","0.004","90","","1208.87","0.08","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4S,5R)-5-benzyl-3-butyl-4-hydroxy-4-phenyl-1-tosylpyrrolidin-2-one","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qian, Hui; Sun, Song; Zhao, Wanxiang; Sun, Jianwei","An efficient [3+2] annulation for the asymmetric synthesis of densely-functionalized pyrrolidinones and γ-butenolides.","Chemical communications (Cambridge, England)","2020","56","76","11295","11298","10.1039/d0cc05188h","","x-ray","1.54184","CuKα","","0.025","0.0242","","","0.0598","0.0604","","","","","","1.001","","","","has coordinates","257247","2020-10-21","18:00:00",""
"7127102","10.65993","0.00006","11.44033","0.00005","11.66689","0.00006","90","","113.252","0.0006","90","","1307.25","0.013","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 N2 O8 -","- C25 H40 N2 O8 -","- C50 H80 N4 O16 -","2","1","","Xiang, Junhong; Zhang, Xuemei; Wang, Dehong; Li, Jiaxin; Li, Qiuying; Wang, Qin; Ding, Yahui; Chen, Tianyang; Sun, Yuanjun; Bao, Shiqi; Chen, Jing; Li, Dongmei; Wang, Liang; Chen, Yue","Chemical modification of ovatodiolide revealed a promising amino-prodrug with improved pharmacokinetic profile.","Chemical communications (Cambridge, England)","2020","56","75","11018","11021","10.1039/c9cc07573a","","x-ray","1.54184","CuKα","","0.0323","0.032","","","0.0908","0.0911","","","","","","1.045","","","","has coordinates","257256","2020-10-21","18:00:00",""
"7127103","13.93601","0.00006","13.66097","0.00008","14.35128","0.00007","90","","92.6127","0.0004","90","","2729.35","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H36 N2 O4 -","- C20 H29.2 N1.6 O3.2 -","- C100 H146 N8 O16 -","5","2.5","","Xiang, Junhong; Zhang, Xuemei; Wang, Dehong; Li, Jiaxin; Li, Qiuying; Wang, Qin; Ding, Yahui; Chen, Tianyang; Sun, Yuanjun; Bao, Shiqi; Chen, Jing; Li, Dongmei; Wang, Liang; Chen, Yue","Chemical modification of ovatodiolide revealed a promising amino-prodrug with improved pharmacokinetic profile.","Chemical communications (Cambridge, England)","2020","56","75","11018","11021","10.1039/c9cc07573a","","x-ray","1.54184","CuKα","","0.1229","0.1223","","","0.3198","0.3221","","","","","","1.607","","","","has coordinates","257256","2020-10-21","18:00:00",""
"7127118","7.8485","0.0001","12.7347","0.0002","9.0832","0.0001","90","","90.438","0.001","90","","907.82","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.039","0.0388","","","0.1096","0.1103","","","","","","1.026","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127120","7.3742","0.0001","8.5904","0.0001","12.0878","0.0001","90","","101.002","0.001","90","","751.656","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0608","0.0606","","","0.1325","0.1331","","","","","","1.248","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127183","9.5155","0.0011","4.8412","0.0004","13.9736","0.0018","90","","96.436","0.005","90","","639.66","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-{[(Phenylsulfanyl)methyl]sulfanyl}-1,3-benzoxazole","","- C14 H11 N O S2 -","- C14 H11 N O S2 -","- C28 H22 N2 O2 S4 -","2","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0423","0.0303","","","0.0555","0.068","","","","","","1.148","","","","has coordinates","260718","2021-01-07","05:00:45",""
"7127204","4.3265","0.0001","13.4831","0.0002","12.3293","0.0003","90","","93.614","0.002","90","","717.79","0.03","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H8 Cl F N2 O4 -","- C15 H8 Cl F N2 O4 -","- C30 H16 Cl2 F2 N4 O8 -","2","1","","Peng, Qiupeng; Guo, Donghui; Zhang, Bei; Liu, Lala; Wang, Jian","Benzotetramisole catalyzed kinetic resolution of 2H-azirines.","Chemical communications (Cambridge, England)","2020","56","82","12427","12430","10.1039/d0cc05379a","","x-ray","1.54184","CuKα","","0.0377","0.0359","","","0.0937","0.0962","","","","","","1.026","","","","has coordinates","260717","2021-01-07","05:00:28",""
"7127220","11.7115","0.0005","12.6744","0.0004","12.5355","0.0007","90","","103.528","0.005","90","","1809.1","0.14","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 F3 N O2 Sn -","- C16 H22 F3 N O2 Sn -","- C64 H88 F12 N4 O8 Sn4 -","4","2","","Delany, Pascal K.; Mortimer, Claire L.; Hodgson, David M.","Electrophile dependent mechanisms in the asymmetric trapping of α-lithio-N-(tert-butoxythiocarbonyl)azetidine.","Chemical communications (Cambridge, England)","2020","56","81","12174","12177","10.1039/d0cc05396a","","","0.71073","MoKα","","0.0949","0.059","","0.1349","0.1071","0.1349","","","","","","1.0078","","","","has coordinates","260624","2021-01-07","04:36:40",""
"7127222","10.9242","0.0019","7.1718","0.0013","12.651","0.002","90","","105.167","0.003","90","","956.6","0.3","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C38 H50 N2 O12 -","2","1","","Pei, Jun-Ping; Lv, Xue-Jiao; Peng, Chen-Jun; Liu, Yan-Kai","Asymmetric organocatalytic multicomponent reactions for efficient construction of bicyclic compounds bearing bisacetal and isoxazolidine moieties.","Chemical communications (Cambridge, England)","2020","56","84","12765","12768","10.1039/d0cc05099g","","","0.71073","MoKα","","0.056","0.0406","","","0.0821","0.0893","","","","","","1.034","","","","has coordinates","260699","2021-01-07","04:55:58",""
"7127272","8.6683","0.0012","8.386","0.001","11.3586","0.0014","90","","110.379","0.008","90","","774","0.18","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.0586","0.0386","","","0.0976","0.1248","","","","","","1.174","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127273","9.6092","0.0003","8.1201","0.0003","10.9799","0.0004","90","","116.426","0.0018","90","","767.22","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.0333","0.0317","","","0.08","0.0822","","","","","","1.076","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127279","8.8444","0.0008","14.0029","0.0013","13.7453","0.0013","90","","99.99","0.002","90","","1676.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl2 Mn N7 O9 -","- C28 H37 Cl2 Mn N7 O9 -","- C56 H74 Cl4 Mn2 N14 O18 -","2","1","","Xu, Daqian; Sun, Qiangsheng; Lin, Jin; Sun, Wei","Ligand regulation for manganese-catalyzed enantioselective epoxidation of olefins without acid.","Chemical communications (Cambridge, England)","2020","56","86","13101","13104","10.1039/d0cc04440g","","","0.71073","MoKα","","0.0416","0.0368","","","0.1015","0.1068","","","","","","1.01","","","","has coordinates,has disorder","260606","2021-01-07","04:31:19",""
"7127321","8.8477","0.0002","14.2309","0.0002","9.6371","0.0001","90","","95.549","0.002","90","","1207.73","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H22 N2 O5 -","- C30 H22 N2 O5 -","- C60 H44 N4 O10 -","2","1","","Yuan, Xi; Wu, Xudong; Peng, Fei; Yang, Haijun; Zhu, Changjin; Fu, Hua","Organocatalytic asymmetric synthesis of arylindolyl indolin-3-ones with both axial and central chirality.","Chemical communications (Cambridge, England)","2020","56","83","12648","12651","10.1039/d0cc05432a","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0922","0.0937","","","","","","1.034","","","","has coordinates","260612","2021-01-07","04:34:03",""
"7127329","6.689","0.004","10.95","0.006","13.04","0.01","90","","94.67","0.05","90","","951.9","1.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2,3,4,5,6-pentamethylphenyl)(1,8,8-trimethylbicyclo[3.2.1]octan-3-yl)methanone","","- C23 H34 O -","- C23 H34 O -","- C46 H68 O2 -","2","1","","Bettoni, Léo; Gaillard, Sylvain; Renaud, Jean-Luc","A phosphine-free iron complex-catalyzed synthesis of cycloalkanes via the borrowing hydrogen strategy.","Chemical communications (Cambridge, England)","2020","56","85","12909","12912","10.1039/d0cc05840h","","","0.71073","MoKα","","0.102","0.0575","","","0.1086","0.1227","","","","","","0.984","","","","has coordinates","260668","2021-01-07","04:48:39",""
"7127335","10.42782","0.00017","7.6985","0.00011","11.51764","0.00017","90","","106.53","0.0017","90","","886.41","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","(4S,4aR,11aR)-7-bromo-11a-hydroxy-4-(nitromethyl)-1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo[a,d][7]annulen-5-one","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C32 H36 Br2 N2 O8 -","2","1","","Mato, Raquel; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Prieto, Liher; Manzano, Ruben; Vicario, Jose L.","Catalytic enantioselective domino Michael/transannular aldol reaction under bifunctional catalysis.","Chemical communications (Cambridge, England)","2020","56","86","13149","13152","10.1039/d0cc05981a","","x-ray","1.54184","CuKα","","0.0596","0.0573","","","0.185","0.1885","","","","","","1.195","","","","has coordinates","260599","2021-01-07","04:30:27",""
"7127337","10.663","0.0014","9.0225","0.0009","12.3447","0.0016","90","","90.216","0.005","90","","1187.6","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 Br N O S -","- C29 H22 Br N O S -","- C58 H44 Br2 N2 O2 S2 -","2","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","0.71073","MoKα","","0.0478","0.0373","","","0.0864","0.0908","","","","","","1.073","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127339","9.7976","0.0015","8.723","0.0009","14.089","0.002","90","","110.142","0.005","90","","1130.5","0.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C58 H46 N2 O2 S2 -","2","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","0.71073","MoKα","","0.142","0.0593","","","0.1226","0.1772","","","","","","0.975","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127350","10.8897","0.0004","21.2774","0.0006","11.9691","0.0004","90","","113.656","0.004","90","","2540.26","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H84 Co Li N3 O6 -","- C48 H84 Co Li N3 O6 -","- C96 H168 Co2 Li2 N6 O12 -","2","1","","Das, Chinmoy; Rasamsetty, Amaleswari; Tripathi, Shalini; Shanmugam, Maheswaran","Magnetization relaxation dynamics of a rare coordinatively unsaturated Co(II) complex: experimental and theoretical insights.","Chemical communications (Cambridge, England)","2020","56","87","13397","13400","10.1039/d0cc05963c","","","0.71073","MoKα","","0.0792","0.0604","","","0.1388","0.171","","","","","","1.145","","","","has coordinates","260713","2021-01-07","04:59:47",""
"7127359","11.9243","0.0005","8.0669","0.0003","15.4348","0.0007","90","","92.338","0.004","90","","1483.47","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","CaCl2 Levetiracetam Nicotinamide","CaCl2 (S)-2-(2-oxopyrrolidin-1-yl)butanamide pyridine-3-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C44 H72 Ca2 Cl4 N12 O12 -","2","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.0581","0.0433","","","0.09","0.0959","","","","","","1.031","","","","has coordinates,has disorder","260600","2021-01-07","04:30:37",""
"7127362","8.78349","0.00014","25.2447","0.0004","11.5445","0.0002","90","","92.4781","0.0016","90","","2557.44","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 Br F3 N O5 -","- C26 H23 Br F3 N O5 -","- C104 H92 Br4 F12 N4 O20 -","4","2","","Zhang, Xia-Yan; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Organocatalytic asymmetric tandem α-functionalization/1,3-proton shift reaction of benzylidene succinimides with β-trifluoromethyl enones.","Chemical communications (Cambridge, England)","2020","56","87","13449","13452","10.1039/d0cc05474g","","x-ray","1.54184","CuKα","","0.0526","0.0477","","","0.1254","0.131","","","","","","1.016","","","","has coordinates","260710","2021-01-07","04:59:26",""
"7127366","14.809","0.0007","9.7032","0.0004","18.6573","0.0009","90","","113.307","0.002","90","","2462.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H46 Cl N5 O5 P2 Pt -","- C47 H46 Cl N5 O5 P2 Pt -","- C94 H92 Cl2 N10 O10 P4 Pt2 -","2","1","","Leitão, Maria Inês P S; Gonzalez, Carmen; Francescato, Giulia; Filipiak, Zuzanna; Petronilho, Ana","On the reactivity of mRNA Cap0: C-H oxidative addition of 7-methylguanosine to Pt0 and base pairing studies.","Chemical communications (Cambridge, England)","2020","56","87","13365","13368","10.1039/d0cc06075e","","x-ray","0.71073","MoKα","","0.0483","0.0424","","","0.1048","0.1071","","","","","","1.052","","","","has coordinates","260709","2021-01-07","04:59:14",""
"7127412","3.9035","0.0004","44.025","0.006","6.0394","0.0006","90","","95.692","0.008","90","","1032.8","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C28 H16 N2 S2 -","- C28 H16 N2 S2 -","- C56 H32 N4 S4 -","2","1","","Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang","Organic single crystals of cyano-substituted p-phenylene vinylene derivatives as transistors with low surface trap density.","Chemical communications (Cambridge, England)","2020","56","89","13776","13779","10.1039/d0cc06552h","","x-ray","1.54184","CuKα","","0.1452","0.0922","","","0.2266","0.256","","","","","","1.028","","","","has coordinates","260654","2021-01-07","04:45:20",""
"7127415","11.6772","0.0005","6.3645","0.0004","15.4108","0.0007","90","","93.913","0.004","90","","1142.65","0.1","293","2","293","2","","","","","","","From datablock 201912334","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","x-ray","1.54184","CuKα","","0.0461","0.0409","","","0.1039","0.1097","","","","","","1.039","","","","has coordinates","282923","2023-04-29","19:40:29",""
"7127416","11.6772","0.0005","6.3645","0.0004","15.4108","0.0007","90","","93.913","0.004","90","","1142.65","0.1","293","2","293","2","","","","","","","From datablock 201912334_CCDC1","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","","1.54184","CuKα","","0.0461","0.0409","","","0.1039","0.1097","","","","","","1.039","","","","has coordinates","282923","2023-04-29","19:40:29",""
"7127453","8.182","0.003","16.379","0.007","9.224","0.004","90","","93.177","0.005","90","","1234.2","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H29 Co N7 O14 -","- C15 H29 Co N7 O14 -","- C30 H58 Co2 N14 O28 -","2","1","","Choudhury, Anup; Pichon, Céline; Sutter, Jean-Pascal; Pamu, Dobbidi; Sarma, Bipul; Mudoi, Prashurya Pritam; Gogoi, Nayanmoni","Accessing water processable cyanido bridged chiral heterobimetallic Co(ii)-Fe(iii) one dimensional network.","Chemical communications (Cambridge, England)","2021","57","2","207","210","10.1039/d0cc05356b","","","0.71073","MoKα","","0.068","0.0458","","","0.0911","0.1005","","","","","","1.02","","","","has coordinates","261542","2021-02-04","22:35:40",""
"7127461","21.7528","0.0003","51.3282","0.0005","22.4375","0.0003","90","","113.392","0.0017","90","","22993.2","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H86 N4 O4 Pt2 -","- C42.6667 N2.13333 O2.63333 Pt1.06667 -","- C640 N32 O39.5 Pt16 -","15","7.5","","Inoue, Ryo; Kondo, Riki; Morisaki, Yasuhiro","Experimental and theoretical studies on circularly polarized phosphorescence of a [2.2]paracyclophane-based platinum(ii) complex.","Chemical communications (Cambridge, England)","2020","56","98","15438","15441","10.1039/d0cc06205g","","x-ray","0.71073","MoKα","","0.0983","0.0619","","","0.1705","0.1907","","","","","","0.879","","","","has coordinates,has disorder","260648","2021-01-07","04:44:24",""
"7127462","10.2748","0.0004","14.2248","0.0003","10.9525","0.0003","90","","115.5","0.004","90","","1444.84","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C66 H74 N2 O10 -","2","1","","Xiang, Min; Li, Chen-Yi; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","Organocatalytic and enantioselective [4+2] cyclization between hydroxymaleimides and ortho-hydroxyphenyl para-quinone methide-selective preparation of chiral hemiketals.","Chemical communications (Cambridge, England)","2020","56","94","14825","14828","10.1039/d0cc06777f","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1149","0.1214","","","","","","1.049","","","","has coordinates","259370","2020-12-01","01:54:11",""
"7127556","12.5755","0.0011","10.6535","0.0009","13.6818","0.0012","90","","115.503","0.002","90","","1654.4","0.2","297","","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H25 Br2 N3 O3 S -","- C36 H25 Br2 N3 O3 S -","- C72 H50 Br4 N6 O6 S2 -","2","1","","Wang, Wenyao; Bao, Xiaoze; Wei, Shiqiang; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Asymmetric sequential annulation/aldol process of 4-isothiocyanato pyrazolones and allenones: access to novel spiro[pyrrole-pyrazolones] and spiro[thiopyranopyrrole-pyrazolones].","Chemical communications (Cambridge, England)","2021","57","3","363","366","10.1039/d0cc07113g","","","0.71073","MoKα","","0.134","0.054","","","0.0775","0.0955","","","","","","0.99","","","","has coordinates","261572","2021-02-04","22:48:12",""
"7127567","13.5867","0.0011","4.3673","0.0004","16.8442","0.0012","90","","104.545","0.008","90","","967.45","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H19 F O2 -","- C27 H19 F O2 -","- C54 H38 F2 O4 -","2","1","","Jiang, Xinhang; Li, En; Chen, Jiean; Huang, Yong","Photo-induced energy transfer relay of N-heterocyclic carbene catalysis: an asymmetric α-fluorination/isomerization cascade.","Chemical communications (Cambridge, England)","2021","57","6","729","732","10.1039/d0cc07264h","","x-ray","1.54184","CuKα","","0.0997","0.0973","","","0.2945","0.2962","","","","","","1.065","","","","has coordinates","261550","2021-02-04","22:38:12",""
"7127578","11.0339","0.0009","8.5608","0.0004","27.529","0.002","90","","99.793","0.005","90","","2562.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H42 Bi3 I15 N6 -","- C12 H42 Bi3 I15 N6 -","- C24 H84 Bi6 I30 N12 -","2","1","","Liu, Yu-Hua; Peng, Hang; Liao, Wei-Qiang","A lead-free bismuth iodide organic-inorganic ferroelectric semiconductor.","Chemical communications (Cambridge, England)","2021","57","5","647","650","10.1039/d0cc07443h","","","0.71073","MoKα","","0.0701","0.0528","","","0.0875","0.0949","","","","","","1.001","","","","has coordinates","261537","2021-02-04","22:33:30",""
"7127594","11.4194","0.0006","11.4914","0.0006","19.9143","0.0011","90","","93.483","0.001","90","","2608.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H60 As2 D6 Ti -","- C64 H66 As2 Ti -","- C128 H132 As4 Ti2 -","2","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0314","0.027","","","0.0614","0.0633","","","","","","1.036","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127621","8.856","0.0012","31.71","0.004","12.7673","0.0015","90","","95.735","0.005","90","","3567.4","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C35 H47 Cl N2 O Pt -","- C35 H47 Cl N2 O Pt -","- C140 H188 Cl4 N8 O4 Pt4 -","4","2","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0561","0.0478","","","0.1166","0.1222","","","","","","0.976","","","","has coordinates","261528","2021-02-04","22:29:02",""
"7127626","8.8293","0.0007","31.745","0.003","12.7745","0.0009","90","","95.744","0.003","90","","3562.5","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C35 H47 Cl N2 O Pt -","- C35 H47 Cl N2 O Pt -","- C140 H188 Cl4 N8 O4 Pt4 -","4","2","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.088","0.0783","","","0.1933","0.1999","","","","","","1.071","","","","has coordinates","261528","2021-02-04","22:29:02",""
"7127682","8.7389","0.0005","15.7231","0.0008","30.6187","0.0014","90","","90.9491","0.0016","90","","4206.5","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 N5 Ni -","- C20 H21 Cl2 N5 Ni -","- C160 H168 Cl16 N40 Ni8 -","8","4","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0336","0.0278","","","0.06","0.0628","","","","","","1.05","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127686","10.8104","0.0005","5.7783","0.0003","21.3807","0.001","90","","91.903","0.005","90","","1334.82","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N4 O5 -","- C28 H32 N4 O5 -","- C56 H64 N8 O10 -","2","1","","Gambhir, Diksha; Mondal, Bhaskar; Koner, Rik Rani","Molecular-level insights into the self-assembly driven enantioselective recognition process.","Chemical communications (Cambridge, England)","2021","57","20","2535","2538","10.1039/d0cc06612e","","x-ray","1.54184","CuKα","","0.0384","0.0343","","","0.0796","0.0815","","","","","","0.988","","","","has coordinates","263643","2021-04-05","14:01:16",""
"7127687","10.8308","0.0008","5.779","0.0004","21.3692","0.0013","90","","91.933","0.007","90","","1336.76","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N4 O5 -","- C28 H32 N4 O5 -","- C56 H64 N8 O10 -","2","1","","Gambhir, Diksha; Mondal, Bhaskar; Koner, Rik Rani","Molecular-level insights into the self-assembly driven enantioselective recognition process.","Chemical communications (Cambridge, England)","2021","57","20","2535","2538","10.1039/d0cc06612e","","x-ray","1.54184","CuKα","","0.0462","0.0389","","","0.0887","0.0921","","","","","","0.99","","","","has coordinates","263643","2021-04-05","14:01:16",""
"7127787","10.1721","0.0004","9.702","0.0003","14.1513","0.0006","90","","109.467","0.004","90","","1316.75","0.09","294.82","0.1","294.82","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 F O2 P -","- C27 H22 F O2 P -","- C54 H44 F2 O4 P2 -","2","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0576","0.0433","","","0.0926","0.1005","","","","","","0.966","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127788","9.9203","0.0002","9.7787","0.0002","13.8908","0.0003","90","","103.935","0.002","90","","1307.86","0.05","172.9","0.1","172.9","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H23 Cl3 F O2 P -","- C28 H23 Cl3 F O2 P -","- C56 H46 Cl6 F2 O4 P2 -","2","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0414","0.0404","","","0.1077","0.1089","","","","","","1.047","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127793","10.0306","0.0003","9.5877","0.0002","14.074","0.0004","90","","109.455","0.003","90","","1276.22","0.06","292.31","0.1","292.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 F2 O3 P -","- C29 H25 F2 O3 P -","- C58 H50 F4 O6 P2 -","2","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0395","0.0355","","","0.0934","0.0976","","","","","","1.053","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127795","7.3707","0.0001","10.3546","0.0001","8.6086","0.0001","90","","108.874","0.001","90","","621.688","0.013","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,8bR)-3a-phenyl-3,3a,5,8b-tetrahydro-1H-furo[3,2-d]thieno[3,4-b]pyran","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C30 H28 O4 S2 -","2","1","","Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes.","Chemical communications (Cambridge, England)","2021","57","13","1667","1670","10.1039/d0cc07765h","","x-ray","1.54184","CuKα","","0.0194","0.0194","","","0.0511","0.0511","","","","","","1.054","","","","has coordinates","262489","2021-03-05","01:20:09",""
"7127813","8.395","0.0002","12.081","0.0003","11.1318","0.0002","90","","96.59","0.002","90","","1121.53","0.04","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 -","- C25 H34 N2 -","- C50 H68 N4 -","2","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","1.54184","CuKα","","0.0542","0.0496","","","0.1266","0.1308","","","","","","1.044","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127815","13.2573","0.0008","23.7844","0.0017","14.6312","0.0011","90","","105.348","0.002","90","","4448.9","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H124 Mg2 N4 O4 -","- C108 H124 Mg2 N4 O4 -","- C216 H248 Mg4 N8 O8 -","2","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.1724","0.0843","","","0.1762","0.2204","","","","","","0.974","","","","has coordinates,has disorder","262486","2021-03-05","01:19:40",""
"7127817","17.043","0.001","10.651","0.0007","20.583","0.0013","90","","96.752","0.002","90","","3710.4","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 -","- C46 H46 N2 -","- C184 H184 N8 -","4","2","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.1414","0.0683","","","0.1094","0.1334","","","","","","1.061","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127832","8.0048","0.0003","11.7155","0.0005","13.6559","0.0005","90","","92.414","0.003","90","","1279.52","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 Cl N O2 S2 -","- C29 H22 Cl N O2 S2 -","- C58 H44 Cl2 N2 O4 S4 -","2","1","","Tian, Jun; Yuan, Kang-Ning; Liu, Wen; Chang, Hong-Hong; Li, Xing; Gao, Wen-Chao","3-Thiolated pyrroles/pyrrolines: controllable synthesis and usage for the construction of thiolated fluorophores.","Chemical communications (Cambridge, England)","2021","57","15","1943","1946","10.1039/d0cc07988j","","x-ray","1.54184","CuKα","","0.0337","0.0324","","","0.088","0.0896","","","","","","1.034","","","","has coordinates","262501","2021-03-05","01:22:06",""
"7127839","8.094","0.0003","17.4703","0.0008","11.2484","0.0005","90","","99.299","0.004","90","","1569.67","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","2","","Lai, Xiaojing; Liu, Jin-Biao; Wang, Yu-Chao; Qiu, Guanyinsheng","Iron-catalyzed intramolecular acyl nitrene/alkyne metalation for the synthesis of pyrrolo[2,1-a]isoindol-5-ones.","Chemical communications (Cambridge, England)","2021","57","16","2077","2080","10.1039/d0cc08039j","","x-ray","1.54184","CuKα","","0.0514","0.0461","","","0.1162","0.124","","","","","","1.053","","","","has coordinates","262483","2021-03-05","01:18:57",""
"7127850","15.2967","0.0007","11.2692","0.0005","15.7712","0.0007","90","","90.312","0.002","90","","2718.6","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H70 Gd I3 N8 O7 -","- C48 H70 Gd I3 N8 O7 -","- C96 H140 Gd2 I6 N16 O14 -","2","1","","Subasinghe, S A Amali S; Romero, Jonathan; Ward, Cassandra L.; Bailey, Matthew D.; Zehner, Donna R.; Mehta, Prakrut J.; Carniato, Fabio; Botta, Mauro; Yustein, Jason T.; Pautler, Robia G.; Allen, Matthew J.","Magnetic resonance thermometry using a GdIII-based contrast agent.","Chemical communications (Cambridge, England)","2021","57","14","1770","1773","10.1039/d0cc06400a","","","0.71073","MoKα","","0.0576","0.0397","","","0.0674","0.0729","","","","","","1.034","","","","has coordinates,has disorder","262499","2021-03-05","01:21:48",""
"7127906","12.27766","0.00009","24.87997","0.00017","14.9006","0.00011","90","","94.3187","0.0006","90","","4538.73","0.06","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C148 H264 Al4 K4 N8 O20 S4 Si8 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO2 into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","1.54184","CuKα","","0.0365","0.0356","","","0.0955","0.0965","","","","","","1.022","","","","has coordinates,has disorder","263661","2021-04-05","14:05:23",""
"7127912","9.5411","0.0003","13.6581","0.0005","12.605","0.0004","90","","89.913","0.003","90","","1642.6","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl F3 N3 O6 -","- C33 H29 Cl F3 N3 O6 -","- C66 H58 Cl2 F6 N6 O12 -","2","1","","Zhang, Xia-Yan; Dou, Pei-Hao; Lu, Wen-Ya; You, Yong; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Wei-Cheng","Benzylidene succinimides as 3C synthons for the asymmetric tandem Mannich reaction/transamidation of cyclic trifluoromethyl ketimines to obtain F3C-containing polycyclic dihydroquinazolinones.","Chemical communications (Cambridge, England)","2021","57","23","2927","2930","10.1039/d0cc08131k","","x-ray","1.54184","CuKα","","0.0578","0.0481","","","0.1274","0.136","","","","","","1.03","","","","has coordinates,has disorder","263655","2021-04-05","14:04:10",""
"7127980","5.3407","0.0011","12.745","0.003","18.872","0.004","90","","92.51","0.03","90","","1283.3","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Cui, Yanhui; Li, Fen; Zhang, Xin","Controlling fluorescence resonance energy transfer of donor-acceptor dyes by Diels-Alder dynamic covalent bonds.","Chemical communications (Cambridge, England)","2021","57","26","3275","3278","10.1039/d1cc00165e","","","0.71073","MoKα","","0.0915","0.0709","","","0.1819","0.1968","","","","","","1.04","","","","has coordinates","263631","2021-04-05","13:56:55",""
"7128040","4.8464","0.0002","18.6556","0.0006","14.1231","0.0005","90","","91.934","0.0012","90","","1276.18","0.08","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 Ba F4 O5 -","- B4 Ba F4 O5 -","- B32 Ba8 F32 O40 -","8","4","","Zhang, Wenbin; Guo, Siru; Han, Shujuan; Wang, Liying; Zhou, Xin; Yang, Zhihua; Pan, Shilie","BaB4O5F4 with reversible phase transition featuring unprecedented fundamental building blocks of [B16O21F16] in the α-phase and [B4O6F4] in the β-phase.","Chemical communications (Cambridge, England)","2021","57","34","4182","4185","10.1039/d1cc00701g","","","0.71073","MoKα","","0.0234","0.0207","","","0.0495","0.0503","","","","","","1.019","","","","has coordinates","264891","2021-05-05","08:11:33",""
"7128045","5.3937","0.0002","5.4359","0.0002","35.4175","0.0015","90","","90.977","0.003","90","","1038.28","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(4-{Dodec-1-yn-1-yl}pyrazol-1-yl)-6-(pyrazol-1-yl)pyridine","","- C23 H29 N5 -","- C23 H29 N5 -","- C46 H58 N10 -","2","1","","Galadzhun, Iurii; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Howard, Mark J.; Halcrow, Malcolm A.","The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals.","Chemical communications (Cambridge, England)","2021","57","33","4039","4042","10.1039/d1cc01073e","","","0.6889","synchrotron","","0.1019","0.0896","","","0.2298","0.2395","","","","","","1.128","","","","has coordinates","264867","2021-05-05","08:03:24",""
"7128130","11.9239","0.0004","5.6798","0.0002","14.6714","0.0006","90","","110.215","0.004","90","","932.42","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 F O -","- C25 H21 F O -","- C50 H42 F2 O2 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed anti-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.0347","0.0328","","","0.082","0.0841","","","","","","1.055","","","","has coordinates","265888","2021-06-05","17:29:59",""
"7128131","8.4023","0.0002","11.0606","0.0002","9.9012","0.0002","90","","99.589","0.002","90","","907.31","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 F O S -","- C23 H19 F O S -","- C46 H38 F2 O2 S2 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed anti-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.0257","0.0252","","","0.0667","0.0672","","","","","","1.021","","","","has coordinates,has disorder","265888","2021-06-05","17:29:59",""
"7128132","12.2119","0.0001","5.6331","0.0001","14.2712","0.0001","90","","106.598","0.001","90","","940.82","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 F O -","- C23 H25 F O -","- C46 H50 F2 O2 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed anti-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.029","0.0287","","","0.0719","0.0722","","","","","","1.05","","","","has coordinates,has disorder","265888","2021-06-05","17:29:59",""
"7128133","7.4283","0.0001","6.9661","0.0001","16.5307","0.0002","90","","93.4","0.001","90","","853.9","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O S2 -","- C21 H18 O S2 -","- C42 H36 O2 S4 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed anti-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.0235","0.0233","","","0.0635","0.0636","","","","","","1.04","","","","has coordinates,has disorder","265888","2021-06-05","17:29:59",""
"7128147","6.6884","0.001","13.82","0.002","8.53","0.0013","90","","92.21","0.002","90","","787.9","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Huang, Jian; Kong, Han-Han; Li, Si-Jia; Zhang, Rui-Jin; Qian, Hao-Dong; Li, Dan-Ran; He, Jin-Yu; Zheng, Yi-Nuo; Xu, Hao","Asymmetric copper-catalyzed propargylic amination with amine hydrochloride salts.","Chemical communications (Cambridge, England)","2021","57","38","4674","4677","10.1039/d1cc00663k","","","1.34139","GaKα","","0.0639","0.0638","","","0.1662","0.1663","","","","","","1.202","","","","has coordinates,has disorder","265905","2021-06-05","17:34:12",""
"7128200","7.059","0.008","19.92","0.02","9.454","0.011","90","","91.125","0.012","90","","1329","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","2","","Chen, Jiangfei; Zhu, Yan-Ping; Li, Jin-Heng; Wang, Qiu-An","External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines.","Chemical communications (Cambridge, England)","2021","57","42","5215","5218","10.1039/d1cc01565f","","","0.71073","MoKα","","0.1885","0.1241","","","0.3191","0.3636","","","","","","1.053","","","","has coordinates","265868","2021-06-05","17:26:05",""
"7128202","13.9958","0.0006","7.4192","0.0003","18.5276","0.0008","90","","109.796","0.005","90","","1810.17","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","2","","Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang","Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.","Chemical communications (Cambridge, England)","2021","57","42","5171","5174","10.1039/d1cc01675j","","","0.71073","MoKα","","0.0712","0.0545","","","0.1673","0.1799","","","","","","1.08","","","","has coordinates","265870","2021-06-05","17:26:20",""
"7128205","14.0095","0.0002","7.4162","0.0001","18.5511","0.0002","90","","109.791","0.002","90","","1813.56","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","2","","Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang","Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.","Chemical communications (Cambridge, England)","2021","57","42","5171","5174","10.1039/d1cc01675j","","","1.54178","CuKα","","0.0653","0.0581","","","0.1674","0.1864","","","","","","0.991","","","","has coordinates","265870","2021-06-05","17:26:21",""
"7128252","15.6933","0.0003","29.5973","0.0004","15.8253","0.0003","90","","119.634","0.002","90","","6389.1","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H60 Cu6 N12 Na3 O36 Rh4 S13 -","- C36 H60 Cu6 N12 Na3 O36 Rh4 S13 -","- C72 H120 Cu12 N24 Na6 O72 Rh8 S26 -","2","1","","Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi","Transformations of empty Cu core to CuCuO and CuS cores via oxide and sulfide insertions.","Chemical communications (Cambridge, England)","2021","57","44","5386","5389","10.1039/d1cc01572a","","","0.4126","synchrotron","","0.1056","0.0651","","","0.1468","0.1583","","","","","","0.981","","","","has coordinates,has disorder","265836","2021-06-05","17:17:04",""
"7128258","23.1307","0.0001","11.0429","0.0001","24.4853","0.0001","90","","97.165","0.001","90","","6205.44","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H57 B O2 -","- C33 H57 B O2 -","- C264 H456 B8 O16 -","8","4","","Sun, Beiqi; Zheng, Sihan; Mo, Fanyang","Transition metal- and light-free radical borylation of alkyl bromides and iodides using silane.","Chemical communications (Cambridge, England)","2021","57","46","5674","5677","10.1039/d1cc02134f","","x-ray","1.54184","CuKα","","0.0607","0.0588","","","0.1656","0.1681","","","","","","1.045","","","","has coordinates,has disorder","267018","2021-07-05","16:16:41",""
"7128259","24.74","0.08","8.05","0.02","25.1","0.09","90","","94.46","0.06","90","","4984","3","150.15","","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C107 H68 N16 S8 -","- C107 H68 N16 S8 -","- C214 H136 N32 S16 -","2","1","","Hong, Juan; Xiao, Xuxian; Liu, Haoliang; Fu, Lin; Wang, Xin-Chang; Zhou, Long; Wang, Xiao-Ye; Qiu, Zijie; Cao, Xiao-Yu; Narita, Akimitsu; Müllen, Klaus; Hu, Yunbin","X-shaped thiadiazole-containing double [7]heterohelicene with strong chiroptical response and π-stacked homochiral assembly.","Chemical communications (Cambridge, England)","2021","57","45","5566","5569","10.1039/d1cc01631h","","x-ray","0.71073","MoKα","","0.0861","0.0667","","","0.1761","0.1861","","","","","","1.062","","","","has coordinates","265897","2021-06-05","17:32:27",""
"7128272","11.0733","0.0007","8.0039","0.0004","24.5775","0.0011","90","","99.546","0.005","90","","2148.1","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 B Cl2 O6 S16 -","- C36 H26 B Cl2 O6 S16 -","- C72 H52 B2 Cl4 O12 S32 -","2","1","","Blundell, Toby J.; Brannan, Michael; Nishimoto, Hiroshi; Kadoya, Tomofumi; Yamada, Jun-Ichi; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral metal down to 4.2 K - a BDH-TTP radical-cation salt with spiroboronate anion B(2-chloromandelate)2.","Chemical communications (Cambridge, England)","2021","57","44","5406","5409","10.1039/d1cc01441b","","x-ray","0.71073","MoKα","","0.0476","0.0402","","","0.0846","0.0886","","","","","","1.04","","","","has coordinates,has disorder","265838","2021-06-05","17:17:19",""
"7128310","9.4482","0.0004","12.6347","0.0004","5.7085","0.0002","90","","110.407","0.003","90","","638.68","0.04","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","Triglycine sulfate","","","- C6 H17 N3 O10 S -","- C6 H17 N3 O10 S -","- C12 H34 N6 O20 S2 -","2","1","","Kawasaki, Tsuneomi; Kaimori, Yoshiyasu; Shimada, Seiya; Hara, Natsuki; Sato, Susumu; Suzuki, Kenta; Asahi, Toru; Matsumoto, Arimasa; Soai, Kenso","Asymmetric autocatalysis triggered by triglycine sulfate with switchable chirality by altering the direction of the applied electric field.","Chemical communications (Cambridge, England)","2021","57","49","5999","6002","10.1039/d1cc02162a","","","0.71073","MoKα","","0.026","0.0243","","","0.0647","0.0656","","","","","","1.055","","","","has coordinates","267042","2021-07-05","16:22:51",""
"7128311","9.4396","0.0004","12.6268","0.0004","5.6979","0.0002","90","","110.395","0.003","90","","636.57","0.04","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Triglycine sulfate","","","- C6 H17 N3 O10 S -","- C6 H17 N3 O10 S -","- C12 H34 N6 O20 S2 -","2","1","","Kawasaki, Tsuneomi; Kaimori, Yoshiyasu; Shimada, Seiya; Hara, Natsuki; Sato, Susumu; Suzuki, Kenta; Asahi, Toru; Matsumoto, Arimasa; Soai, Kenso","Asymmetric autocatalysis triggered by triglycine sulfate with switchable chirality by altering the direction of the applied electric field.","Chemical communications (Cambridge, England)","2021","57","49","5999","6002","10.1039/d1cc02162a","","","0.71073","MoKα","","0.0319","0.0295","","","0.0751","0.077","","","","","","1.052","","","","has coordinates","267042","2021-07-05","16:22:52",""
"7128329","7.7564","0.0002","13.7188","0.0004","25.4041","0.0008","90","","97.463","0.003","90","","2680.31","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2?-methylphenyl)-6-O-triisopropylsilyl-2,3,4-tri-O-methyl-α-D-mannopyranoside","","- C25 H44 O6 Si -","- C25 H44 O6 Si -","- C100 H176 O24 Si4 -","4","2","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of O-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0555","0.0531","","","0.1505","0.1523","","","","","","1.126","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128334","9.464","0.003","7.518","0.002","12.116","0.003","90","","92.972","0.013","90","","860.9","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C40 H46 N6 -","2","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides via diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0541","0.0369","","","0.0785","0.0822","","","","","","0.967","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128352","7.2146","0.0014","11.816","0.002","16.161","0.004","90","","102.558","0.007","90","","1344.7","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 F N5 -","- C16 H12 F N5 -","- C64 H48 F4 N20 -","4","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides via diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0496","0.0348","","","0.0797","0.0827","","","","","","0.988","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128378","7.6819","0.0001","5.895","0.0001","20.1743","0.0001","90","","91.416","0.001","90","","913.31","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C40 H36 Br2 N2 O4 S2 -","2","1","","Wu, Hui-Min; Zhang, Zongpeng; Wei, Liang; Dong, Xiu-Qin; Wang, Chun-Jiang","Synergistic Cu/Pd-catalyzed asymmetric allylation: a facile access to α-quaternary cysteine derivatives.","Chemical communications (Cambridge, England)","2021","57","53","6538","6541","10.1039/d1cc01754c","","x-ray","1.54184","CuKα","","0.0214","0.0213","","","0.0579","0.0579","","","","","","1.08","","","","has coordinates","267007","2021-07-05","16:14:27",""
"7128405","11.0439","0.0003","5.6164","0.0002","12.2401","0.0003","90","","97.184","0.002","90","","753.26","0.04","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Dunås, Petter; Paterson, Andrew J.; Kociok-Köhn, Gabriele; Rahm, Martin; Lewis, Simon E.; Kann, Nina","Palladium-catalyzed stereoselective domino arylation-acylation: an entry to chiral tetrahydrofluorenone scaffolds.","Chemical communications (Cambridge, England)","2021","57","53","6518","6521","10.1039/d1cc02160e","","x-ray","1.54184","CuKα","","0.036","0.0334","","","0.0835","0.0851","","","","","","1.046","","","","has coordinates","267008","2021-07-05","16:14:33",""
"7128484","13.518","0.0007","8.3701","0.0004","19.8041","0.0011","90","","101.284","0.003","90","","2197.5","0.2","170","2","169.98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H34 F12 N3 O6 P -","- C49 H34 F12 N3 O6 P -","- C98 H68 F24 N6 O12 P2 -","2","1","","Dai, Zhen-Yao; Wang, Pu-Sheng; Gong, Liu-Zhu","Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes.","Chemical communications (Cambridge, England)","2021","57","55","6748","6751","10.1039/d1cc02295d","","","1.34139","GaKα","","0.0905","0.0638","","","0.1576","0.1775","","","","","","1.16","","","","has coordinates","268507","2021-09-06","09:02:53",""
"7128537","6.1683","0.0009","18.221","0.003","8.3375","0.0014","90","","100.838","0.005","90","","920.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C42 H42 N2 O4 S2 -","2","1","","Gogoi, Manash Protim; Vanjari, Rajeshwer; Prabagar, B.; Yang, Shengwen; Dutta, Shubham; Mallick, Rajendra K.; Gandon, Vincent; Sahoo, Akhila K.","Yb(iii)-catalysed syn-thioallylation of ynamides.","Chemical communications (Cambridge, England)","2021","57","61","7521","7524","10.1039/d1cc02611a","","","0.71073","MoKα","","0.0316","0.0287","","","0.073","0.0744","","","","","","1.056","","","","has coordinates","268494","2021-09-06","08:51:27",""
"7128624","7.6486","0.0003","6.0185","0.0002","15.9086","0.0006","90","","103.605","0.001","90","","711.77","0.05","125","2","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C32 H30 N6 O6 -","2","1","","Zhao, Yunbo; Mandal, Dipendu; Guo, Jing; Wu, Yile; Stephan, Douglas W.","B(C6F5)3-Catalyzed site-selective N1-alkylation of benzotriazoles with diazoalkanes.","Chemical communications (Cambridge, England)","2021","57","63","7758","7761","10.1039/d1cc03048e","","","1.54178","CuKα","","0.0391","0.0384","","","0.1014","0.1022","","","","","","1.069","","","","has coordinates","268526","2021-09-06","09:08:35",""
"7128668","8.4175","0.0002","12.4824","0.0002","10.4064","0.0002","90","","113.774","0.0009","90","","1000.62","0.04","170","2","170.03","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 B10 I -","- C16 H21 B10 I -","- C32 H42 B20 I2 -","2","1","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-o-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.0239","0.0229","","","0.0544","0.055","","","","","","1.092","","","","has coordinates","268571","2021-09-06","09:30:33",""
"7128793","5.0757","0.0002","6.1737","0.0002","5.3882","0.0002","90","","113.422","0.004","90","","154.931","0.011","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Hoser, Anna A.; Sztylko, Marcin; Trzybiński, Damian; Madsen, Anders Ø","Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data.","Chemical communications (Cambridge, England)","2021","57","74","9370","9373","10.1039/d1cc02608a","","x-ray","0.71073","MoKα","","0.0233","0.0229","","","0.0638","0.0642","","","","","","1.1","","","","has coordinates","269652","2021-10-06","13:59:00",""
"7128794","16.0819","0.0006","25.9667","0.0008","17.0515","0.0006","90","","117.912","0.002","90","","6292.2","0.4","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C126 H113 N8 O12 -","- C126 H113 N8 O12 -","- C252 H226 N16 O24 -","2","1","","Ramakrishna, E.; Tang, Jia-Dong; Tao, Jia-Ju; Fang, Qiang; Zhang, Zibin; Huang, Jianying; Li, Shijun","Self-assembly of chiral BINOL cages via imine condensation.","Chemical communications (Cambridge, England)","2021","57","72","9088","9091","10.1039/d1cc01507a","","","1.54178","CuKα","","0.0657","0.0582","","","0.1648","0.1723","","","","","","1.037","","","","has coordinates,has disorder","269665","2021-10-06","14:03:46",""
"7128801","9.1578","0.0009","21.5786","0.0017","13.1159","0.0012","90","","91.515","0.003","90","","2591","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H51 Cl2 N -","- C61 H51 Cl2 N -","- C122 H102 Cl4 N2 -","2","1","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","0.71073","MoKα","","0.101","0.0546","","","0.1232","0.1563","","","","","","1.07","","","","has coordinates","269612","2021-10-06","13:45:47",""
"7128802","9.1948","0.0007","21.649","0.0015","13.2822","0.0009","90","","90.634","0.003","90","","2643.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H64 Ga N O2 -","- C68 H64 Ga N O2 -","- C136 H128 Ga2 N2 O4 -","2","1","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","1.34139","GaKα","","0.122","0.0986","","","0.2755","0.2898","","","","","","1.073","","","","has coordinates,has disorder","269612","2021-10-06","13:45:48",""
"7128807","9.7907","0.0005","11.0235","0.0006","14.4145","0.0008","90","","107.747","0.002","90","","1481.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 N2 O9 -","- C29 H42 N2 O9 -","- C58 H84 N4 O18 -","2","1","","Wang, Kaixuan; Xu, Chaoran; Hu, Xinyue; Zhou, Yuqiao; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones","Chemical Communications","2021","57","71","8917","8920","10.1039/D1CC03685H","","","1.54178","CuKα","","0.0315","0.0311","","","0.0801","0.0807","","","","","","1.079","","","","has coordinates,has disorder","269662","2021-10-06","14:02:06",""
"7128808","9.2997","0.0012","17.268","0.002","12.0322","0.0015","90","","92.223","0.002","90","","1930.8","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H17 Br2 N2 P Zn -","- C18 H17 Br2 N2 P Zn -","- C72 H68 Br8 N8 P4 Zn4 -","4","2","","Berro, Patrick; Norouziyanlakvan, Somayeh; Rao, Gyaneshwar Kumar; Gabidullin, Bulat; Richeson, Darrin","Electrocatalytic reduction of CO2 to CO and HCO2- with Zn(II) complexes displaying cooperative ligand reduction.","Chemical communications (Cambridge, England)","2021","57","73","9292","9295","10.1039/d1cc03887g","","","0.71073","MoKα","","0.0478","0.0302","","","0.0583","0.0633","","","","","","0.903","","","","has coordinates","269608","2021-10-06","13:44:04",""
"7128813","12.966","0.003","15.946","0.003","12.986","0.003","90","","117.09","0.03","90","","2390.4","1.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H78 Al B N2 O3 -","- C50 H78 Al B N2 O3 -","- C100 H156 Al2 B2 N4 O6 -","2","1","","Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun","Reductive elimination of [AlH2]+ from a cationic Ga-Al dihydride.","Chemical communications (Cambridge, England)","2021","57","74","9454","9457","10.1039/d1cc03706d","","","1.54178","CuKα","","0.0523","0.0455","","","0.108","0.1104","","","","","","1.005","","","","has coordinates,has disorder","269648","2021-10-06","13:58:02",""
"7128829","16.9475","0.0017","5.4286","0.0005","28.084","0.003","90","","92.011","0.004","90","","2582.2","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H58 N6 -","- C61 H58 N6 -","- C122 H116 N12 -","2","1","","Dey, Avishek; Chand, Santanu; Ghosh, Munmun; Altamimy, Monerah; Maity, Bholanath; Bhatt, Prashant; Bhat, Imtiaz; Cavallo, Luigi; Eddaoudi, Mohamed; Khashab, Niveen M.","Molecular Recognition and Adsorptive Separation of m-xylene by Trianglimine Crystals","Chemical Communications","2021","","","","","10.1039/D1CC03531B","","","0.71073","MoKα","","0.0982","0.0702","","","0.1849","0.2196","","","","","","1.107","","","","has coordinates","268091","2021-08-16","22:02:23",""
"7128850","11.504","0.005","15.705","0.006","13.626","0.005","90","","101.704","0.007","90","","2410.6","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl4 F6 N6 Ni O4 S2 -","- C37 H50 Cl4 F6 N6 Ni O4 S2 -","- C74 H100 Cl8 F12 N12 Ni2 O8 S4 -","2","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0968","0.0498","","","0.0964","0.1238","","","","","","1.034","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128853","9","0.0017","11.736","0.002","14.406","0.003","90","","90.775","0.004","90","","1521.5","0.5","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H27 B2 F8 N Pd2 Pt -","- C30 H27 B2 F8 N Pd2 Pt -","- C60 H54 B4 F16 N2 Pd4 Pt2 -","2","1","","Yamaura, Hiroshige; Yamamoto, Koji; Murahashi, Tetsuro","Selective dimerization of a trinuclear mixed-metal sandwich complex: construction of an axially chiral metal skeleton.","Chemical communications (Cambridge, England)","2021","57","72","9120","9123","10.1039/d1cc03719f","","","0.71075","MoKα","","0.1063","0.0879","","","0.2167","0.2451","","","","","","1.13","","","","has coordinates","269666","2021-10-06","14:04:03",""
"7128858","6.0314","0.0003","7.4369","0.0003","23.9241","0.001","90","","92.818","0.002","90","","1071.82","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 Cl3 F N2 O4 -","- C22 H18 Cl3 F N2 O4 -","- C44 H36 Cl6 F2 N4 O8 -","2","1","","Kaur, Kirandeep; Humbrías-Martín, Jorge; Hoppmann, Leon; Fernández-Salas, Jose A; Daniliuc, Constantin G.; Alemán, José; Mancheño, Olga García","Enantioselective vinylogous-Mukaiyama-type dearomatisation by anion-binding catalysis.","Chemical communications (Cambridge, England)","2021","57","73","9244","9247","10.1039/d1cc03514b","","x-ray","0.71073","MoKα","","0.0261","0.0244","","","0.0556","0.0567","","","","","","1.031","","","","has coordinates","269620","2021-10-06","13:48:20",""
"7128861","6.506","0.0004","4.7861","0.0003","21.3358","0.001","90","","96.991","0.002","90","","659.42","0.07","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H15 Br Cl F N2 O -","- C12 H15 Br Cl F N2 O -","- C24 H30 Br2 Cl2 F2 N4 O2 -","2","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)2 catalyzed Ugi-type reaction of N,O-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0205","0.0195","","","0.0487","0.049","","","","","","0.998","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128870","14.7972","0.0006","8.0733","0.0003","18.9373","0.0007","90","","96.319","0.004","90","","2248.55","0.15","123","","123","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H28 -","- C32 H28 -","- C128 H112 -","4","2","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.0865","0.0572","","","0.1113","0.1263","","","","","","1.008","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128872","8.2667","0.0012","12.9527","0.0018","9.9631","0.0016","90","","102.109","0.015","90","","1043.1","0.3","123","","123","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.1535","0.08","","","0.128","0.1571","","","","","","1.038","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128873","9.1381","0.0003","7.2746","0.0002","16.347","0.0005","90","","91.457","0.003","90","","1086.33","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C52 H54 Br2 O8 -","2","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.0417","0.0372","","","0.0851","0.088","","","","","","1.017","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128878","8.1788","0.0003","7.7926","0.0003","16.7712","0.0006","90","","103.581","0.002","90","","1039.01","0.07","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Wu, Xiang; Ding, Du; Zhang, Ying; Jiang, Hua-Jie; Wang, Tao; Zhao, Li-Ping","Enantioselective synthesis of 1-aminoindene derivatives via asymmetric Brønsted acid catalysis.","Chemical communications (Cambridge, England)","2021","57","76","9680","9683","10.1039/d1cc03568a","","","1.34139","GaKα","","0.0389","0.0356","","","0.0896","0.0926","","","","","","1.048","","","","has coordinates","269635","2021-10-06","13:54:49",""
"7128888","8.057","0.0006","14.0475","0.0013","12.2644","0.0009","90","","95.457","0.006","90","","1381.8","0.19","298.16","0.1","298.16","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 N2 O P -","- C31 H37 N2 O P -","- C62 H74 N4 O2 P2 -","2","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","x-ray","0.71073","MoKα","","0.0876","0.0681","","","0.185","0.197","","","","","","1.055","","","","has coordinates","269637","2021-10-06","13:55:39",""
"7128907","10.158","0.005","9.42","0.004","12.633","0.005","90","","108.94","0.02","90","","1143.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 I N O2 -","- C27 H24 I N O2 -","- C54 H48 I2 N2 O4 -","2","1","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","0.71073","MoKα","","0.0562","0.0544","","","0.1375","0.1386","","","","","","1.052","","","","has coordinates","269622","2021-10-06","13:49:09",""
"7128909","11.8508","0.0016","9.1039","0.0012","13.2298","0.0017","90","","115.219","0.006","90","","1291.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 I2 N O3 -","- C28 H27 I2 N O3 -","- C56 H54 I4 N2 O6 -","2","1","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","1.54178","CuKα","","0.0468","0.0427","","","0.1045","0.1088","","","","","","1.064","","","","has coordinates","269622","2021-10-06","13:49:09",""
"7128921","8.928","0.005","17.983","0.01","9.771","0.006","90","","93.34","0.02","90","","1566.1","1.6","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br N2 -","- C17 H15 Br N2 -","- C68 H60 Br4 N8 -","4","2","","Sawano, Takahiro; Matsui, Takeshi; Koga, Marina; Ishikawa, Eri; Takeuchi, Ryo","Iridium-catalyzed C3-selective asymmetric allylation of 7-azaindoles with secondary allylic alcohols.","Chemical communications (Cambridge, England)","2021","57","76","9684","9687","10.1039/d1cc03968g","","","0.71075","MoKα","","0.092","0.0513","","","0.1209","0.14","","","","","","0.931","","","","has coordinates","269634","2021-10-06","13:54:28",""
"7128940","10.0555","0.0004","11.6803","0.0005","18.1925","0.0007","90","","100.954","0.0018","90","","2097.8","0.15","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-2-yl)-4-methyl-2-(phenylthio)quinoline","","- C28 H21 N S -","- C28 H21 N S -","- C112 H84 N4 S4 -","4","2","","Cardenas, Mariel M.; Saputra, Mirza A.; Gordon, Deane A.; Sanchez, Andrea N.; Yamamoto, Nobuyuki; Gustafson, Jeffrey L.","Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolines via SNAr.","Chemical communications (Cambridge, England)","2021","57","78","10087","10090","10.1039/d1cc04335h","","","0.71073","MoKα","","0.0381","0.0373","","","0.0916","0.0922","","","","","","1.171","","","","has coordinates","269601","2021-10-06","13:41:21",""
"7128944","17.401","0.008","5.9984","0.0013","18.889","0.006","90","","115.06","0.05","90","","1786","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 Br O5 -","- C19 H15 Br O5 -","- C76 H60 Br4 O20 -","4","2","","Dzieszkowski, Krzysztof; Słotwiński, Michał; Rafińska, Katarzyna; Muzioł, Tadeusz M; Rafiński, Zbigniew","NHC-catalyzed enantioselective C2-functionalization of 3-hydroxychromenones via α,β-unsaturated acyl azoliums.","Chemical communications (Cambridge, England)","2021","57","78","9999","10002","10.1039/d1cc03708k","","x-ray","0.71073","MoKα","","0.1233","0.0551","","","0.1122","0.1451","","","","","","1.004","","","","has coordinates,has disorder","269602","2021-10-06","13:41:30",""
"7128967","4.977","0.0003","7.7308","0.0006","11.6315","0.0012","90","","90.771","0.007","90","","447.5","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","'(S)-1-oxo-1-(2-(trifluoromethyl)hydrazineyl)propan-2-aminium chloride'","","- C4 H9 Cl F3 N3 O -","- C4 H9 Cl F3 N3 O -","- C8 H18 Cl2 F6 N6 O2 -","2","1","","Cao, Tingting; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoît","Synthesis of N-CF3 hydrazines through radical trifluoromethylation of azodicarboxylates.","Chemical communications (Cambridge, England)","2021","57","80","10351","10354","10.1039/d1cc04538e","","","0.71073","MoKα","","0.0508","0.0389","","","0.0894","0.0953","","","","","","1.025","","","","has coordinates","270370","2021-11-06","18:51:12",""
"7128968","5.128","0.003","27.296","0.013","15.794","0.009","90","","95.556","0.012","90","","2200","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","'benzyl (S)-(1-oxo-1-(1-(trifluoromethyl)hydrazineyl)propan-2-yl)carbamate'","","- C12 H14.67 F3 N3 O3.33 -","- C12 H14.6667 F3 N3 O3.33333 -","- C72 H88 F18 N18 O20 -","6","3","","Cao, Tingting; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoît","Synthesis of N-CF3 hydrazines through radical trifluoromethylation of azodicarboxylates.","Chemical communications (Cambridge, England)","2021","57","80","10351","10354","10.1039/d1cc04538e","","","1.54187","CuKα","","0.1368","0.0891","","","0.2072","0.2454","","","","","","0.923","","","","has coordinates","270370","2021-11-06","18:51:12",""
"7129003","17.4342","0.0004","12.8734","0.0003","23.1114","0.0006","90","","93.993","0.001","90","","5174.5","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H14.08 F12 N2 O10.04 S2 Zn -","- C16 H14.08 F12 N2 O10.04 S2 Zn -","- C128 H112.64 F96 N16 O80.32 S16 Zn8 -","8","4","","Lauzon, Samuel; Ollevier, Thierry","2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et2Zn alkylation of aldehydes.","Chemical communications (Cambridge, England)","2021","57","84","11025","11028","10.1039/d1cc04556c","","x-ray","1.54178","CuKα","","0.0451","0.035","","","0.0822","0.087","","","","","","0.992","","","","has coordinates,has disorder","270392","2021-11-06","18:56:39",""
"7129061","16.1768","0.0016","7.6356","0.0007","18.1963","0.0017","90","","92.555","0.004","90","","2245.4","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H23 F3 N2 O6 S -","- C21 H23 F3 N2 O6 S -","- C84 H92 F12 N8 O24 S4 -","4","2","","Oka, Yukari; Tsuzuki, Seiji; Moriyama, Katsuhiko","Chiral anthranilic pyrrolidine as custom-made amine catalyst for enantioselective Michael reaction of nitroalkenes with carbonyl compounds.","Chemical communications (Cambridge, England)","2021","57","87","11457","11460","10.1039/d1cc04453b","","","1.54178","CuKα","","0.056","0.0547","","","0.1526","0.1544","","","","","","1.05","","","","has coordinates,has disorder","270398","2021-11-06","18:59:29",""
"7129105","8.3815","0.0002","7.1324","0.0001","10.0251","0.0002","90","","103.832","0.001","90","","581.92","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","RR-626-F1_200K","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C24 H26 Br2 O6 -","2","1","","Del Río-Rodríguez, Roberto; Laina-Martín, Víctor; Fernández-Salas, Jose A; Alemán, José","Enantioselective vinylogous Mukaiyama aldol reaction of α-ketoesters under bifunctional organocatalysis.","Chemical communications (Cambridge, England)","2021","57","88","11665","11668","10.1039/d1cc04263g","","","0.71073","MoKα","","0.0195","0.0183","","","0.0462","0.0547","","","","","","1.183","","","","has coordinates","270346","2021-11-06","18:36:18",""
"7129118","11.7573","0.0007","8.9712","0.0005","14.1527","0.0008","90","","98.386","0.002","90","","1476.82","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H37 N3 O7 -","- C34 H37 N3 O7 -","- C68 H74 N6 O14 -","2","1","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.0419","0.0416","","","0.1094","0.1097","","","","","","0.986","","","","has coordinates","269971","2021-10-15","21:57:37",""
"7129120","8.9813","0.0003","15.1981","0.0005","11.1421","0.0003","90","","90.699","0.002","90","","1520.77","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F3 N2 O3 -","- C15 H17 F3 N2 O3 -","- C60 H68 F12 N8 O12 -","4","2","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.0276","0.0267","","","0.0767","0.0783","","","","","","0.594","","","","has coordinates","269971","2021-10-15","21:57:43",""
"7129121","11.0402","0.0005","6.9374","0.0003","11.4994","0.0005","90","","109.836","0.002","90","","828.49","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O2 -","- C18 H17 F3 N2 O2 -","- C36 H34 F6 N4 O4 -","2","1","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.0358","0.0357","","","0.0923","0.0923","","","","","","0.663","","","","has coordinates","269971","2021-10-15","21:57:44",""
"7129149","8.8543","0.0018","10.246","0.002","19.033","0.004","90","","91.12","0.03","90","","1726.4","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H36 Cl2 Mo O2 P2 S2 -","- C36 H36 Cl2 Mo O2 P2 S2 -","- C72 H72 Cl4 Mo2 O4 P4 S4 -","2","1","","Elvers, Benedict Josua; Krewald, Vera; Schulzke, Carola; Fischer, Christian","Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands","Chemical Communications","2021","","","","","10.1039/D1CC05335C","","","0.71073","MoKα","","0.119","0.0718","","","0.1603","0.1907","","","","","","1.031","","","","has coordinates","270098","2021-10-28","22:01:28",""
"7129151","8.8426","0.0018","10.239","0.002","19","0.004","90","","90.96","0.03","90","","1720","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl2 Mo O2 P2 S3 -","- C35 H33.998 Cl2 Mo O2 P2 S3 -","- C70 H67.996 Cl4 Mo2 O4 P4 S6 -","2","1","","Elvers, Benedict Josua; Krewald, Vera; Schulzke, Carola; Fischer, Christian","Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands","Chemical Communications","2021","","","","","10.1039/D1CC05335C","","","0.71073","MoKα","","0.0571","0.0492","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates,has disorder","270098","2021-10-28","22:01:29",""
"7129183","6.0579","0.0002","15.5439","0.0005","9.8183","0.0003","90","","92.62","0.003","90","","923.56","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 F N O4 S -","- C20 H16 F N O4 S -","- C40 H32 F2 N2 O8 S2 -","2","1","","Dong, Jinhuan; Feng, Wanzhong; Wang, Lei; Li, Mei; Chen, Zhe; Xu, Xianxiu","Cu/Base Co-catalyzed [3 + 3] Cycloaddition for the Synthesis of Highly Functionalized 4-Fluoropyridines","Chemical Communications","2021","","","","","10.1039/D1CC05412K","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0918","0.0935","","","","","","1.065","","","","has coordinates","270213","2021-11-02","22:57:57",""
"7129185","7.1972","0.0002","13.8507","0.0002","11.1349","0.0002","90","","108.671","0.002","90","","1051.58","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H25 Cl N2 O3 S -","- C21 H25 Cl N2 O3 S -","- C42 H50 Cl2 N4 O6 S2 -","2","1","","Zhou, Su; Xie, Xiongda; Xu, Xinxin; Dong, Shanliang; Hu, Wenhao; Xu, Xinfang","An asymmetric oxidative cyclization/Mannich-type addition cascade reaction for direct access to chiral pyrrolidin-3-ones","Chemical Communications","2021","","","","","10.1039/D1CC04830A","","x-ray","1.54184","CuKα","","0.0349","0.0318","","","0.0772","0.0786","","","","","","1.068","","","","has coordinates","270214","2021-11-02","22:58:26",""
"7129208","7.963","0.0001","6.0352","0.0001","16.021","0.0002","90","","93.637","0.001","90","","768.391","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 Br2 O2 -","- C16 H14 Br2 O2 -","- C32 H28 Br4 O4 -","2","1","","Song, Xianheng; Meng, Shanshui; Zhang, Hong; Jiang, Yi; Chan, Albert S. C.; Zou, Yong","Dibrominated Addition and Substitution of Alkenes Catalyzed by Mn2(CO)10","Chemical Communications","2021","","","","","10.1039/D1CC04534B","","x-ray","1.54184","CuKα","","0.0286","0.028","","","0.0673","0.0676","","","","","","1.113","","","","has coordinates","270527","2021-11-08","22:55:13",""
"7129209","5.5472","0.0002","7.8195","0.0004","18.3327","0.0007","90","","94.308","0.004","90","","792.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br3 O2 -","- C16 H13 Br3 O2 -","- C32 H26 Br6 O4 -","2","1","","Song, Xianheng; Meng, Shanshui; Zhang, Hong; Jiang, Yi; Chan, Albert S. C.; Zou, Yong","Dibrominated Addition and Substitution of Alkenes Catalyzed by Mn2(CO)10","Chemical Communications","2021","","","","","10.1039/D1CC04534B","","x-ray","1.54184","CuKα","","0.0934","0.0697","","","0.1568","0.1783","","","","","","1.109","","","","has coordinates","270527","2021-11-08","22:55:15",""
"7129217","9.9491","0.0003","8.2942","0.0002","11.528","0.0004","90","","111.243","0.004","90","","886.65","0.05","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Cl N2 O -","- C21 H19 Cl N2 O -","- C42 H38 Cl2 N4 O2 -","2","1","","Wang, Guanghui; Jia, Jian; Liu, Gang; Yu, Mingwu; Chu, Xiaoxiao; Liu, Xiguang; Zhao, Ximei","Copper(I)-catalyzed tandem synthesis of 2-acylquinolines from 2-ethynylanilines and glyoxals.","Chemical communications (Cambridge, England)","2021","57","89","11811","11814","10.1039/d1cc05612c","","x-ray","1.54184","CuKα","","0.0295","0.0286","","","0.0723","0.0727","","","","","","1.086","","","","has coordinates","270544","2021-11-09","22:57:27",""
"7129229","14.994","0.0004","7.9399","0.0002","18.0476","0.0005","90","","110.222","0.001","90","","2016.14","0.09","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","2","","Hu, Linfeng; Cao, Weidi; Wang, Kaixuan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydrocarbazoles through Friedel-Crafts alkylation/annulation sequential reaction of indoles","Chemical Communications","2021","","","","","10.1039/D1CC05099K","","","1.54178","CuKα","","0.0618","0.0474","","","0.1004","0.1117","","","","","","1.047","","","","has coordinates","270625","2021-11-12","22:55:12",""
"7129242","10.3039","0.0003","12.9444","0.0004","11.8996","0.0003","90","","108.155","0.002","90","","1508.13","0.08","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H41 B Cl2 F4 Fe N2 Si -","- C25 H41 B Cl2 F4 Fe N2 Si -","- C50 H82 B2 Cl4 F8 Fe2 N4 Si2 -","2","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.0298","0.0287","","","0.0749","0.0757","","","","","","1.041","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129269","9.18","0.0005","27.5745","0.0018","9.1884","0.0006","90","","111.569","0.002","90","","2163","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 O6 Si -","- C24 H20 O6 Si -","- C96 H80 O24 Si4 -","4","2","","Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Bi-Qin; Wang, Peng","Concise Synthesis and Application of Enantiopure Spirobiphenoxasilin-Diol and Its Related Chiral Ligands","Chemical Communications","2021","","","","","10.1039/D1CC05576C","","","0.71073","MoKα","","0.0703","0.0502","","","0.1108","0.1259","","","","","","1.086","","","","has coordinates","270747","2021-11-18","22:55:58",""
"7129286","11.355","0.004","7.423","0.002","14.224","0.005","90","","107.513","0.007","90","","1143.3","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H24 Br N O5 -","- C25 H24 Br N O5 -","- C50 H48 Br2 N2 O10 -","2","1","","Jadhav, Sandip B.; Maurya, Sundaram; Navaneetha, N.; Chegondi, Rambabu","Rh(III)-Catalyzed Diastereoselective Cascade Annulation of Enone-Tethered Cyclohexadienones via a C(sp2)−H Bond Activation","Chemical Communications","2021","","","","","10.1039/D1CC05941F","","","0.71073","MoKα","","0.0608","0.0419","","","0.0967","0.1058","","","","","","1.032","","","","has coordinates,has disorder","270813","2021-11-22","22:59:20",""
"7129326","11.0628","0.0006","13.3567","0.0007","12.7357","0.0007","90","","92.424","0.002","90","","1880.17","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H56 N2 Zn2 -","- C39 H56 N2 Zn2 -","- C78 H112 N4 Zn4 -","2","1","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.0207","0.0191","","","0.0504","0.051","","","","","","1.039","","","","has coordinates,has disorder","270916","2021-11-29","23:01:10",""
"7129338","6.9359","0.0003","14.9061","0.0007","6.9555","0.0003","90","","105.747","0.0017","90","","692.12","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H24 N2 O5 -","- C12 H24 N2 O5 -","- C24 H48 N4 O10 -","2","1","","Chambers, Luke I.; Yufit, Dimitrii S.; Fox, Mark A.; Musa, Osama; Steed, Jonathan W.","Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide","Chemical Communications","2021","","","","","10.1039/D1CC06047C","","x-ray","0.71073","MoKα","","0.049","0.0448","","","0.1103","0.1135","","","","","","1.026","","","","has coordinates","270966","2021-12-01","23:02:13",""
"7129339","6.87","0.0002","15.0114","0.0004","7.1364","0.0002","90","","105.883","0.001","90","","707.87","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","","Chambers, Luke I.; Yufit, Dimitrii S.; Fox, Mark A.; Musa, Osama; Steed, Jonathan W.","Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide","Chemical Communications","2021","","","","","10.1039/D1CC06047C","","x-ray","0.71073","MoKα","","0.0373","0.0352","","","0.0845","0.0858","","","","","","1.056","","","","has coordinates","270966","2021-12-01","23:02:13",""
"7129368","12.9471","0.0004","19.2285","0.0004","13.933","0.0004","90","","111.418","0.004","90","","3229.12","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 F N2 O5 S -","- C38 H29 F N2 O5 S -","- C152 H116 F4 N8 O20 S4 -","4","2","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","","1.54184","CuKα","","0.0645","0.0482","","","0.1233","0.1406","","","","","","1.03","","","","has coordinates","271275","2021-12-08","23:00:48",""
"7129370","11.2382","0.0004","18.0725","0.0007","15.2764","0.0005","90","","94.28","0.004","90","","3094.02","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H29 N O5 S -","- C34 H29 N O5 S -","- C136 H116 N4 O20 S4 -","4","2","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","x-ray","1.54184","CuKα","","0.0855","0.0714","","","0.2003","0.22","","","","","","1.019","","","","has coordinates,has disorder","271275","2021-12-08","23:00:48",""
"7129432","8.169","0.0001","16.3425","0.0003","10.9598","0.0002","90","","94.261","0.001","90","","1459.11","0.04","299.34","0.1","299.34","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H44 O5 -","- C33 H44 O5 -","- C66 H88 O10 -","2","1","","Zhao, Tian-Tian; Yu, Wan-Lei; Feng, Zhitao; Qin, Hao-Ni; Zheng, Haixue; Xu, Peng-Fei","Photoredox/Nickel Dual Catalyzed Stereospecific Synthesis of Distal Alkenyl Ketones","Chemical Communications","2022","","","","","10.1039/D1CC06566A","","x-ray","1.54184","CuKα","","0.044","0.0403","","","0.12","0.1253","","","","","","0.945","","","","has coordinates","271543","2021-12-20","22:54:10",""
"7129504","7.262","0.006","10.514","0.006","11.343","0.008","90","","97.63","0.03","90","","858.4","1.1","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","LM_Chlorine_250K","","","- C17 H20 Cl N3 O -","- C17 H20 Cl N3 O -","- C34 H40 Cl2 N6 O2 -","2","1","","Mollari, Leonardo; Valle-Amores, Miguel A.; Martínez-Gualda, Ana M.; Marzo, Leyre; Fraile, Alberto; Aleman, José","Asymmetric synthesis of cyclic β-amino carbonyl derivatives by a formal [3 + 2] photocycloaddition","Chemical Communications","2022","","","","","10.1039/D1CC05867C","","","0.71073","MoKα","","0.16","0.07","","","0.1627","0.1939","","","","","","1.009","","","","has coordinates,has disorder","271812","2022-01-05","22:51:02",""
"7129508","12.709","0.009","12.889","0.009","13.598","0.008","90","","91.23","0.02","90","","2227","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl6 Cu4 N4 O5 -","- C24 H20 Cl6 Cu4 N4 O5 -","- C48 H40 Cl12 Cu8 N8 O10 -","2","1","","Chen, Xueli; Chen, Kongyao; Li, Gaojie; Huang, Chao; Zhang, Ying-Ying; Feng, Yanling; Qin, Na; Luo, Jiahuan; Chen, Weihua; Mi, Liwei","Tetrakaidecahedron-shaped Cu four-core supramolecular as novel high-performance electrode material for lithium-ion batteries","Chemical Communications","2022","","","","","10.1039/D1CC05878A","","","0.71073","MoKα","","0.0699","0.0674","","","0.2186","0.2245","","","","","","1.109","","","","has coordinates","271888","2022-01-06","22:52:44",""
"7129529","5.61652","0.00015","8.245","0.0003","9.0227","0.0003","90","","92.654","0.002","90","","417.38","0.02","293","2","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0317","0.0315","","","0.0904","0.0906","","","","","","1.095","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129539","9.5635","0.0006","6.7073","0.0003","15.8118","0.0008","90","","90.829","0.003","90","","1014.15","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","0.71073","MoKα","","0.0598","0.0397","","","0.0798","0.0909","","","","","","1.039","","","","has coordinates","271987","2022-01-11","22:52:01",""
"7129540","9.7603","0.0004","7.2351","0.0003","15.8107","0.0006","90","","92.465","0.001","90","","1115.47","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","1.54178","CuKα","","0.0536","0.0484","","","0.1314","0.1386","","","","","","1.08","","","","has coordinates","271987","2022-01-11","22:52:02",""
"7129581","9.3403","0.0006","13.341","0.0008","12.3446","0.0008","90","","109.899","0.003","90","","1446.41","0.16","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C26 H38 Fe O S2 Si2 -","- C26 H38 Fe O S2 Si2 -","- C52 H76 Fe2 O2 S4 Si4 -","2","1","","Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry","Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity","Chemical Communications","2022","","","","","10.1039/D1CC07085A","","x-ray","0.71073","MoKα","","0.0405","0.0339","","","0.0728","0.0765","","","","","","1.038","","","","has coordinates","272044","2022-01-14","22:53:34",""
"7129589","6.7004","0.0002","18.4346","0.0003","10.0905","0.0002","90","","107.339","0.002","90","","1189.73","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C56 H68 O8 -","2","1","","Ruan, Mengyao; Chen, Liang; Wen, ziyang; Yang, Fan; Ma, Chao; Lu, Cuifen; Yang, Guichun; Gao, Meng","Electrochemical Two-electron Oxygen Reduction Reaction (ORR) Induced Aerobic Oxidation of α- Diazoesters","Chemical Communications","2022","","","","","10.1039/D1CC06945D","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0968","0.1018","","","","","","1.043","","","","has coordinates","272108","2022-01-18","22:50:20",""
"7129601","11.1214","0.0002","7.3026","0.0001","19.6104","0.0004","90","","105.943","0.002","90","","1531.4","0.05","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 Br N2 O S -","- C16 H13 Br N2 O S -","- C64 H52 Br4 N8 O4 S4 -","4","2","","Oyamada, Yusuke; Inaba, Kazuto; Sasamori, Takahiro; Nakamura, Shuichi","Enantioselective reaction of N-cyano imines: decarboxylative Mannich-type reaction with malonic acid half thioesters","Chemical Communications","2022","","","","","10.1039/D1CC07191B","","","0.71073","MoKα","","0.0422","0.0357","","","0.0836","0.0871","","","","","","1.04","","","","has coordinates","272192","2022-01-21","22:49:14",""
"7129611","7.7355","0.0003","9.6941","0.0002","8.6079","0.0003","90","","114.813","0.004","90","","585.9","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","dioxTN-Br","","","- C10 H13 Br O2 S2 -","- C10 H13 Br O2 S2 -","- C20 H26 Br2 O4 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0231","0.0215","","","0.0527","0.0531","","","","","","1.097","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129614","8.3391","0.0004","10.2673","0.0004","34.7678","0.0015","90","","96.371","0.004","90","","2958.4","0.2","323","2","323","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H96 O4 S2 -","- C62 H96 O4 S2 -","- C124 H192 O8 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0683","0.0526","","","0.1426","0.1531","","","","","","1.01","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129615","8.2061","0.0002","10.2572","0.0002","33.991","0.001","90","","93.477","0.003","90","","2855.81","0.12","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H96 O4 S2 -","- C62 H96 O4 S2 -","- C124 H192 O8 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0667","0.0444","","","0.0977","0.1137","","","","","","1.068","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129616","7.4497","0.0001","9.4297","0.0001","12.1517","0.0002","90","","91.419","0.002","90","","853.38","0.02","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-oxTN-2Napt","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C40 H40 O2 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0217","0.0215","","","0.0589","0.059","","","","","","1.034","","","","has coordinates","272225","2022-01-25","22:50:51",""
"7129617","7.2391","0.0001","15.9453","0.0002","7.4167","0.0001","90","","105.656","0.002","90","","824.34","0.02","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-oxTN-1Napt","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C40 H40 O2 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0201","0.0199","","","0.0546","0.0547","","","","","","1.057","","","","has coordinates","272225","2022-01-25","22:50:51",""
"7129644","9.7745","0.0014","9.5549","0.0014","11.5736","0.0017","90","","91.267","0.009","90","","1080.6","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C44 H50 N2 O10 -","2","1","","Sun, Zhongwen; Chen, Lijun; Qiu, Kai-Xiong; Liu, Bo; Li, Hongtao; Yu, Fang","Enantioselective Peroxidation of C-Alkynyl Imines Enabled by Chiral BINOL Calcium Phosphate","Chemical Communications","2022","","","","","10.1039/D1CC07156D","","","1.54178","CuKα","","0.1146","0.0811","","","0.237","0.2647","","","","","","1.099","","","","has coordinates","272399","2022-02-01","22:52:35",""
"7129666","8.526","0.0007","7.7633","0.0006","9.5887","0.0008","90","","98.91","0.003","90","","627.02","0.09","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","1","","Zheng, Long-Sheng; Yin, Congcong; Wang, Fangyuan; Chen, Gen-Qiang; Zhang, Xumu","Enantioselective synthesis of cis-hexahydro-γ-carboline derivatives via Ir-catalysed asymmetric hydrogenation","Chemical Communications","2022","","","","","10.1039/D1CC06888A","","x-ray","1.54178","CuKα","","0.0332","0.0331","","","0.0858","0.0859","","","","","","1.069","","","","has coordinates","272796","2022-02-04","22:51:15",""
"7129688","6.549","0.003","12.882","0.005","10.906","0.005","90","","94.723","0.012","90","","917","0.7","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Krishna Chaitanya, Nandikolla; Sambasiva Rao, Y. N.; Choutipalli, Venkata Surya Kumar; Mainkar, Prathama S.; Subramanian, Venkatesan; Chandrasekhar, Srivari","Cascade Aryne Insertion/Vinylogous Aldol Reaction of Vinyl-substituted β-Keto/enol Carbonyls","Chemical Communications","2022","","","","","10.1039/D1CC06810E","","","0.71073","MoKα","","0.0812","0.0518","","","0.1239","0.1401","","","","","","1.031","","","","has coordinates","272857","2022-02-08","22:54:46",""
"7129707","6.0632","0.0001","31.1441","0.0006","11.832","0.0002","90","","103.573","0.001","90","","2171.87","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H21 N -","- C17 H21 N -","- C102 H126 N6 -","6","3","","Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong","Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers","Chemical Communications","2022","","","","","10.1039/D1CC07074F","","","1.54178","CuKα","","0.0371","0.0348","","","0.0892","0.0915","","","","","","1.04","","","","has coordinates","272945","2022-02-12","22:53:46",""
"7129714","9.7707","0.0001","9.8704","0.0001","19.0616","0.0002","90","","98.18","0.001","90","","1819.61","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H32 Cl3 N O6 S -","- C39 H32 Cl3 N O6 S -","- C78 H64 Cl6 N2 O12 S2 -","2","1","","Zhang , Jia-Lu; Ma, Rui; Zhao, Huan-Huan; Xu, Peng-Fei","Enantioselective Construction of Spiro-Tetrahydroquinoline Scaffolds through Asymmetric Catalytic Cascade Reactions","Chemical Communications","2022","","","","","10.1039/D2CC00502F","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1029","0.1057","","","","","","1.061","","","","has coordinates","272974","2022-02-15","22:53:22",""
"7129716","10.2416","0.0018","9.0837","0.0012","10.5564","0.0016","90","","117.25","0.02","90","","873.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(2aS,4aS,6aS)-hexahydro-1,3,5-triazacyclopenta[cd]pentalene-2,4,6(1H)-trione","","- C16 H17 N7 O6 -","- C16 H17 N7 O6 -","- C32 H34 N14 O12 -","2","1","","Li, Yutang; Strand, Daniel; Grimme, Stefan; Jónsson, Stefán; Wärnmark, Kenneth","The long-awaited synthesis and self-assembly of a small rigid C3 symmetric trilactam","Chemical Communications","2022","","","","","10.1039/D2CC00345G","","","0.71073","MoKα","","0.1246","0.0785","","","0.2775","0.2944","","","","","","1.1","","","","has coordinates","272975","2022-02-15","22:54:03",""
"7129726","13.197","0.003","57.995","0.011","15.63","0.003","90","","110.696","0.002","90","","11191","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H152 Na2 O19 -","- C112 H128 Na2 O16 -","- C448 H512 Na8 O64 -","4","2","","Zhou, Zheng; Zhu, Yikun; Wei, Zheng; Bergner, John; Neiß, Christian; Doloczki, Susanne; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Reversible structural rearrangement of π-expanded cyclooctatetraene upon two-fold reduction with alkali metals","Chemical Communications","2022","","","","","10.1039/D2CC00218C","","","0.71073","MoKα","","0.1749","0.0764","","","0.1473","0.1802","","","","","","0.995","","","","has coordinates,has disorder","273009","2022-02-17","22:55:50",""
"7129732","7.29","0.0004","7.6626","0.0005","11.0968","0.0007","90","","105.101","0.002","90","","598.47","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H17 B9 O2 -","- C5 H17 B9 O2 -","- C10 H34 B18 O4 -","2","1","","Shmalko, Akim; Cendoya, Paula; Anufriev, Sergey A.; Suponitsky, Kyrill; Gabel, Detlef; Sivaev, Igor B.","New approaches to functionalization of the 1-carba-closo-decaborate anion","Chemical Communications","2022","","","","","10.1039/D1CC06395B","","","0.71073","MoKα","","0.0398","0.0373","","","0.0906","0.0931","","","","","","1.038","","","","has coordinates","273033","2022-02-18","22:56:27",""
"7129745","13.0101","0.0004","10.3606","0.0002","13.4292","0.0004","90","","118.414","0.004","90","","1592.09","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H24 B Cl2 F N2 O2 -","- C39 H24 B Cl2 F N2 O2 -","- C78 H48 B2 Cl4 F2 N4 O4 -","2","1","","Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng","Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06051A","","x-ray","1.54184","CuKα","","0.0329","0.0318","","","0.0826","0.0836","","","","","","1.033","","","","has coordinates","273113","2022-02-22","22:55:23",""
"7129746","13.1863","0.0004","10.3824","0.0002","13.6545","0.0005","90","","118.391","0.005","90","","1644.53","0.11","301.13","0.11","301.13","0.11","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H24 B Cl2 F N2 O2 -","- C39 H24 B Cl2 F N2 O2 -","- C78 H48 B2 Cl4 F2 N4 O4 -","2","1","","Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng","Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06051A","","x-ray","1.54184","CuKα","","0.0457","0.0396","","","0.1021","0.1063","","","","","","1.034","","","","has coordinates","273113","2022-02-22","22:55:23",""
"7129747","10.6816","0.0003","20.2007","0.0005","12.8842","0.0003","90","","104.368","0.002","90","","2693.14","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","P1","M1","","- C31 H19 B Cl3 F N2 O2 -","- C31 H19 B Cl3 F N2 O2 -","- C124 H76 B4 Cl12 F4 N8 O8 -","4","2","","Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng","Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06051A","","x-ray","1.54184","CuKα","","0.0363","0.0321","","","0.0768","0.0798","","","","","","1.07","","","","has coordinates","273113","2022-02-22","22:55:23",""
"7129781","8.3425","0.0002","24.9386","0.0007","9.474","0.0003","90","","99.117","0.001","90","","1946.17","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C88 H68 F4 O16 S4 -","4","2","","Zhu, Zhou-Hao; Ding, Yi-Xuan; Zhou, Yong-Gui","Transfer-catalyst-free biomimetic asymmetric reduction of 3-sulfonyl coumarins with a regenerable NAD(P)H model.","Chemical communications (Cambridge, England)","2022","58","24","3973","3976","10.1039/d1cc06896b","","","0.71073","MoKα","","0.0404","0.0333","","","0.078","0.0838","","","","","","1.02","","","","has coordinates","274959","2022-05-05","20:23:20",""
"7129816","9.9138","0.0005","7.6149","0.0004","16.1593","0.0008","90","","90.3892","0.0007","90","","1219.88","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 S2 Zn -","- C11 H10 N2 S2 Zn -","- C44 H40 N8 S8 Zn4 -","4","2","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0552","0.0364","","","0.0609","0.0667","","","","","","1.002","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129870","11.8341","0.0003","8.3172","0.0002","14.9538","0.0005","90","","98.765","0.003","90","","1454.66","0.07","100.01","0.1","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N2 O5 -","- C39 H28 N2 O5 -","- C78 H56 N4 O10 -","2","1","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","","1.54184","CuKα","","0.0526","0.0462","","","0.1214","0.1273","","","","","","1.023","","","","has coordinates,has disorder","273814","2022-03-18","22:55:12",""
"7129905","8.2348","0.0003","9.0936","0.0004","12.7865","0.0004","90","","94.996","0.003","90","","953.87","0.06","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C52 H38 N2 O8 -","2","1","","Zhang, Yue; Lei, Bin; Zhang, Xin","Reversible, controllable white-light emission of dye systems by dynamic covalent furan moiety exchanges","Chemical Communications","2022","","","","","10.1039/D2CC01309F","","x-ray","0.71073","MoKα","","0.0462","0.0418","","","0.1002","0.1053","","","","","","1.061","","","","has coordinates,has disorder","274130","2022-03-30","21:55:16",""
"7129926","12.4217","0.0016","5.7877","0.0007","12.7894","0.0017","90","","104.031","0.004","90","","892","0.2","200","","200","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","2","","Nie, Zhuang; Liu, Song; Wang, Tonglin; Shen, Zhanhong; Nie, Huifang; Xi, Jiayue; Zhang, Dongxu; Zheng, Xiao Hui; Zhang, Shengyong; Yao, Lin","Facile access to chiral chromanone-2-carboxylic acids enabled by Rhodium-catalyzed chemo- and enantioselective hydrogenation","Chemical Communications","2022","","","","","10.1039/D2CC00589A","","","1.34139","GaKα","","0.029","0.0276","","","0.0703","0.0712","","","","","","1.05","","","","has coordinates","274355","2022-04-05","22:02:37",""
"7129935","9.2049","0.0005","9.666","0.0005","12.7809","0.0006","90","","96.97","0.002","90","","1128.77","0.1","150","2","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","","1.54178","CuKα","","0.0403","0.0401","","","0.0981","0.0983","","","","","","1.089","","","","has coordinates","274431","2022-04-08","21:55:00",""
"7129936","10.1467","0.0005","6.1824","0.0002","15.3256","0.0006","90","","106.402","0.002","90","","922.26","0.07","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C42 H40 N4 O6 S2 -","2","1","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","","0.71073","MoKα","","0.0467","0.035","","","0.0802","0.0851","","","","","","1.034","","","","has coordinates","274431","2022-04-08","21:55:00",""
"7129937","8.2297","0.0003","9.0042","0.0003","22.3918","0.0008","90","","88.206","0.002","90","","1658.46","0.1","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","2","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","","1.54178","CuKα","","0.0374","0.0351","","","0.085","0.0868","","","","","","1.05","","","","has coordinates","274431","2022-04-08","21:55:00",""
"7129982","11.505","0.003","8.2528","0.0015","24.175","0.005","90","","92.468","0.006","90","","2293.2","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H48 Br2 N2 O4 -","- C56 H48 Br2 N2 O4 -","- C112 H96 Br4 N4 O8 -","2","1","","Liu, Mohuizi; Xie, Lihua; Hou, Liuzhen; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric transformation of nitrones and allenes to dihydropyridoindoles via chiral N,N′-dioxide/cobalt(ii) catalysis","Chemical Communications","2022","","","","","10.1039/D2CC01263D","","","0.71073","MoKα","","0.0619","0.0428","","","0.0943","0.1093","","","","","","1.006","","","","has coordinates","274512","2022-04-13","21:58:50",""
"7130011","11.7412","0.0004","9.4283","0.0003","16.2155","0.0005","90","","97.351","0.001","90","","1780.3","0.1","190","2","190","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C48 H38 -","- C48 H38 -","- C96 H76 -","2","1","","Wang, Kaiya; Huang, Xingyi; Mohan, Makesh; Zhang, Kaituo; Zuo, Minzan; Shen, Yuhong; Zhao, Yue; Niemeyer, Jochen; Hu, Xiao-Yu","Tetraphenylethylene embedded [15]paracyclophane: AIEgen and macrocycle merged novel supramolecular hosts used for sensing Ni2+ ions","Chemical Communications","2022","","","","","10.1039/D2CC01491B","","","1.34139","GaKα","","0.0391","0.0349","","","0.0883","0.0953","","","","","","1.073","","","","has coordinates","274667","2022-04-25","22:03:20",""
"7130018","11.9119","0.0005","20.9804","0.0009","13.038","0.0005","90","","105.863","0.001","90","","3134.3","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 Nd O17 S3 -","- C49 H78 F9 N4 Nd O17 S3 -","- C98 H156 F18 N8 Nd2 O34 S6 -","2","1","","Ke, Chaoqi; Cao, Qiuhui; Luo, Yao; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric amination of azlactones with azobenzenes","Chemical Communications","2022","","","","","10.1039/D2CC01656G","","","0.71073","MoKα","","0.0225","0.0216","","","0.0485","0.05","","","","","","1.113","","","","has coordinates,has disorder","274697","2022-04-26","21:53:15",""
"7130021","11.6978","0.0006","5.1772","0.0002","14.0219","0.0007","90","","107.748","0.006","90","","808.78","0.07","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","2-(azepan-1-yl)phenanthro[9,10-d]oxazole","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Roy, Subhra Kanti; Purkait, Anisha; Shome, Rajib; Das, Saurav; Das, Debapratim; Ghosh, Siddhartha Sankar; Jana, Chandan K.","Proline selective labeling via on-site construction of naphthoxazole (NapOx)","Chemical Communications","2022","","","","","10.1039/D2CC01268E","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.1148","0.1205","","","","","","1.199","","","","has coordinates","274718","2022-04-27","21:53:36",""
"7130038","10.5776","0.0005","6.1725","0.0003","12.0797","0.0006","90","","107.532","0.002","90","","752.05","0.06","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H9 F6 N O -","- C17 H9 F6 N O -","- C34 H18 F12 N2 O2 -","2","1","","Liang, Ren-Xiao; Chen, Jian-Fei; Huang, Ying-Ying; Yu, Ya-Ping; Zhang, Han-Yue; Song, Yu-Feng; Tsui, Gavin Chit; Jia, Yi-Xia","Enantioselective Pd-Catalyzed Dearomative Reductive Heck and Domino Heck-Suzuki Reactions of 2-CF3-Indoles","Chemical Communications","2022","","","","","10.1039/D2CC01435A","","","1.54178","CuKα","","0.0321","0.0317","","","0.0786","0.079","","","","","","1.075","","","","has coordinates","274802","2022-05-02","22:05:48",""
"7130074","9.134","0.0018","6.215","0.0012","14.976","0.003","90","","106.66","0.03","90","","814.5","0.3","120","","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C36 H46 N2 O6 -","2","1","","Trifonova, Evgeniya A.; Ankudinov, Nikita M.; Chusov, Denis; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Asymmetric cyclopropanation of electron-rich alkenes by the racemic diene rhodium catalyst: the chiral poisoning approach","Chemical Communications","2022","","","","","10.1039/D2CC01648F","","","0.745","synchrotron","","0.0607","0.059","","","0.1515","0.153","","","","","","1.035","","","","has coordinates,has disorder","275372","2022-05-12","21:55:07",""
"7130099","14.0097","0.0006","28.3409","0.0011","19.4461","0.0006","90","","91.81","0.003","90","","7717.2","0.5","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H72 N6 Ni -","- C84 H72 N6 Ni -","- C336 H288 N24 Ni4 -","4","2","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.149","0.1017","","","0.262","0.3042","","","","","","1.024","","","","has coordinates","275455","2022-05-16","21:55:21",""
"7130105","7.0597","0.0002","9.4699","0.0002","11.8919","0.0003","90","","100.096","0.003","90","","782.72","0.03","150.3","0.3","150.3","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Prieto, Liher; Rodríguez, Verónica; Vicario, Jose L.; Reyes, Efraim; Hornillos, Valentín","Enantioselective transannular reactions by palladium-catalysed conjugate addition of aryl boronic acids","Chemical Communications","2022","","","","","10.1039/D2CC01642G","","x-ray","1.54184","CuKα","","0.0506","0.0452","","","0.1074","0.1121","","","","","","1.064","","","","has coordinates,has disorder","275457","2022-05-16","21:57:06",""
"7130188","8.7321","0.0002","15.7556","0.0004","9.1821","0.0002","90","","100.916","0.002","90","","1240.41","0.05","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H23 Cl2 N3 O S -","- C29 H23 Cl2 N3 O S -","- C58 H46 Cl4 N6 O2 S2 -","2","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Gao, Hao-Jie; Mo, Nan-Nan; Wang, Mincan; Mei, Guang-Jian","Catalytic asymmetric inverse-electron-demand aza-Diels–Alder reaction of 1,3-diazadienes with 3-vinylindoles","Chemical Communications","2022","","","","","10.1039/D2CC02458F","","x-ray","1.54184","CuKα","","0.0987","0.0938","","","0.2428","0.2506","","","","","","1.172","","","","has coordinates","275749","2022-06-02","21:56:04",""
"7130198","16.709","0.0005","23.6685","0.0007","20.7456","0.0006","90","","96.23","0.001","90","","8156","0.4","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H72 B Dy F2 N6 O4 -","- C71 H72 B Dy F2 N6 O4 -","- C284 H288 B4 Dy4 F8 N24 O16 -","4","2","","Wu, Jinjiang; Wang, Guo-Lu; Zhu, Zhenhua; Zhao, Chen; Li, Xiao-Lei; Zhang, Yi-Quan; Tang, Jinkui","Terminal fluoride coordinated air-stable chiral dysprosium single-ion magnets","Chemical Communications","2022","","","","","10.1039/D2CC02570A","","","0.71073","MoKα","","0.0536","0.0456","","","0.1138","0.1188","","","","","","1","","","","has coordinates","275882","2022-06-07","21:54:27",""
"7130199","16.7039","0.0004","23.7837","0.0007","20.8546","0.0006","90","","96.142","0.001","90","","8237.6","0.4","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 B Dy F2 N6 O3 -","- C72 H72 B Dy F2 N6 O3 -","- C288 H288 B4 Dy4 F8 N24 O12 -","4","2","","Wu, Jinjiang; Wang, Guo-Lu; Zhu, Zhenhua; Zhao, Chen; Li, Xiao-Lei; Zhang, Yi-Quan; Tang, Jinkui","Terminal fluoride coordinated air-stable chiral dysprosium single-ion magnets","Chemical Communications","2022","","","","","10.1039/D2CC02570A","","","0.71073","MoKα","","0.0411","0.0371","","","0.0921","0.0945","","","","","","1.036","","","","has coordinates","275882","2022-06-07","21:54:28",""
"7130210","8.8134","0.00015","24.0719","0.0004","10.19512","0.00014","90","","90.01","","90","","2162.95","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H44 Cd2 N4 O21 -","- C42 H44 Cd2 N4 O21 -","- C84 H88 Cd4 N8 O42 -","2","1","","Zang, Shuang-Quan; Li, Hai-Yang; Hua, Xue; Fu, Ting; Liu, Xiao-Fei","Photochromic and Electrochromic Properties of Viologen-Based Multifunctional Cd-MOF","Chemical Communications","2022","","","","","10.1039/D2CC02703H","","x-ray","1.54184","CuKα","","0.0471","0.046","","","0.1158","0.1166","","","","","","1.015","","","","has coordinates","275940","2022-06-09","21:53:50",""
"7130211","8.74302","0.00007","23.97044","0.00018","10.19537","0.00008","90","","90.06","","90","","2136.68","0.03","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H44 Cd2 N4 O21 -","- C42 H44 Cd2 N4 O21 -","- C84 H88 Cd4 N8 O42 -","2","1","","Zang, Shuang-Quan; Li, Hai-Yang; Hua, Xue; Fu, Ting; Liu, Xiao-Fei","Photochromic and Electrochromic Properties of Viologen-Based Multifunctional Cd-MOF","Chemical Communications","2022","","","","","10.1039/D2CC02703H","","x-ray","1.54184","CuKα","","0.0355","0.0355","","","0.102","0.102","","","","","","1.022","","","","has coordinates","275940","2022-06-09","21:53:51",""
"7130251","11.7685","0.0006","4.7401","0.0002","17.0705","0.001","90","","103.918","0.006","90","","924.3","0.09","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 F4 -","- C18 H32 F4 -","- C36 H64 F8 -","2","1","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","","1.54184","CuKα","","0.1147","0.1045","","","0.3249","0.3408","","","","","","1.487","","","","has coordinates","276111","2022-06-20","21:54:32",""
"7130253","19.1482","0.0008","4.711","0.0002","19.567","0.0009","90","","117.937","0.006","90","","1559.39","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H57 F3 O3 -","- C33 H57 F3 O3 -","- C66 H114 F6 O6 -","2","1","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","x-ray","1.54184","CuKα","","0.0808","0.0786","","","0.1986","0.2025","","","","","","1.046","","","","has coordinates","276111","2022-06-20","21:54:32",""
"7130270","6.9414","0.0002","15.3352","0.0004","7.3463","0.0002","90","","104.614","0.001","90","","756.7","0.04","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl F6 P Ru -","- C13 H14 Cl F6 P Ru -","- C26 H28 Cl2 F12 P2 Ru2 -","2","1","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0223","0.0211","","","0.0511","0.0517","","","","","","1.047","","","","has coordinates","276195","2022-06-23","21:55:49",""
"7130276","11.577","0.007","11.122","0.007","12.605","0.008","90","","109.35","0.02","90","","1531.3","1.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","JASOdiCl","","","- C14 H12 Cl2 F3 N O3 -","- C14 H12 Cl2 F3 N O3 -","- C56 H48 Cl8 F12 N4 O12 -","4","2","","Cristóbal, Christian; Gaviña, Daniel; Alonso, Inés; Ribagorda, María; Carretero, Juan C.; del Pozo, Carlos; Adrio, Javier","Catalytic enantioselective intramolecular 1,3-dipolar cycloaddition of azomethine ylides with fluorinated dipolarophiles","Chemical Communications","2022","","","","","10.1039/D2CC02902B","","","0.71073","MoKα","","0.1828","0.0534","","","0.0798","0.0997","","","","","","1.014","","","","has coordinates","276196","2022-06-23","21:57:04",""
"7130280","25.192","0.002","5.6061","0.0005","33.579","0.003","90","","110.115","0.003","90","","4453.1","0.7","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C228 H192 N24 O12 -","12","6","","Wang, Zhen-Hua; Wei, Lei; Jiao, Ke-Jin; Ma, Cong; Mei, Tian-Sheng","Nickel-Catalyzed Decarboxylative Cross-Coupling of Indole-3-acetic Acids with Aryl Bromides by Convergent Paired Electrolysis","Chemical Communications","2022","","","","","10.1039/D2CC02641D","","","0.71073","MoKα","","0.0673","0.0446","","","0.095","0.1086","","","","","","1.043","","","","has coordinates","276199","2022-06-23","21:58:46",""
"7130312","8.3475","0.0004","18.7873","0.0008","13.0343","0.0006","90","","98.272","0.002","90","","2022.86","0.16","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H32 B F4 N2 O2 S6 -","- C38 H32 B F4 N2 O2 S6 -","- C76 H64 B2 F8 N4 O4 S12 -","2","1","","Yang, Yu-Ming; Zhang, Cairong; Yang, Hanlun; Tang, Zhen-Yu","‘Photo-Catalyzed Acetoxysulfoximination of Styrene with Sulfoximidoyl Thianthrenium Salt","Chemical Communications","2022","","","","","10.1039/D2CC02542F","","","0.71073","MoKα","","0.071","0.0426","","","0.0849","0.093","","","","","","1.022","","","","has coordinates","276488","2022-07-01","21:51:57",""
"7130319","14.6468","0.0007","5.7771","0.0002","16.2043","0.0009","90","","107.386","0.006","90","","1308.5","0.11","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-mandelic acid L-proline (1:2)","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","2","","Zhou, Fuli; Collard, Laurent; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","L-proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution.","Chemical Communications","2022","","","","","10.1039/D2CC02942A","","","0.71073","MoKα","","0.0631","0.0443","","","0.0961","0.1027","","","","","","1.074","","","","has coordinates,has disorder","276572","2022-07-05","21:52:16",""
"7130320","5.9617","0.0014","9.3791","0.0015","16.778","0.003","90","","90.189","0.019","90","","938.1","0.3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-mandelic acid L-proline (1:1)","","- C18 H26 N2 O7 -","- C18 H26 N2 O7 -","- C36 H52 N4 O14 -","2","1","","Zhou, Fuli; Collard, Laurent; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","L-proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution.","Chemical Communications","2022","","","","","10.1039/D2CC02942A","","","0.71073","MoKα","","0.1322","0.0769","","","0.1903","0.2162","","","","","","1.096","","","","has coordinates,has disorder","276572","2022-07-05","21:52:17",""
"7130356","9.0843","0.0002","15.3056","0.0004","10.2605","0.0003","90","","98.369","0.001","90","","1411.43","0.06","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H47 N3 Pb Si -","- C26 H47 N3 Pb Si -","- C52 H94 N6 Pb2 Si2 -","2","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0147","0.0134","","","0.029","0.0292","","","","","","0.868","","","","has coordinates","276789","2022-07-22","22:12:28",""
"7130357","9.0621","0.0002","15.2311","0.0003","10.2462","0.0002","90","","99.681","0.001","90","","1394.1","0.05","132","2","132","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H47 N3 Si Sn -","- C26 H47 N3 Si Sn -","- C52 H94 N6 Si2 Sn2 -","2","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0266","0.0226","","","0.0437","0.0454","","","","","","1.014","","","","has coordinates","276789","2022-07-22","22:12:28",""
"7130378","7.8741","0.0001","11.4742","0.0002","10.7498","0.0002","90","","100.649","0.002","90","","954.51","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 B N3 O2 -","- C20 H30 B N3 O2 -","- C40 H60 B2 N6 O4 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0407","0.0392","","","0.1025","0.1049","","","","","","1.11","","","","has coordinates","276909","2022-07-23","22:06:05",""
"7130421","17.796","0.003","5.2354","0.0007","25.302","0.004","90","","98.005","0.005","90","","2334.4","0.6","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C55 H54 N6 -","- C55 H54 N6 -","- C110 H108 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.1554","0.076","","","0.1619","0.2165","","","","","","1.064","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130422","17.7147","0.0011","5.4402","0.0003","25.128","0.0015","90","","97.604","0.003","90","","2400.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl2 N6 -","- C56 H56 Cl2 N6 -","- C112 H112 Cl4 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.1209","0.059","","","0.1191","0.153","","","","","","1.06","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130423","17.7583","0.0019","5.3589","0.0006","25.148","0.003","90","","97.803","0.004","90","","2371","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H56 Cl2 N6 -","- C55 H56 Cl2 N6 -","- C110 H112 Cl4 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.2071","0.0934","","","0.1769","0.2273","","","","","","1.007","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130424","17.7194","0.0016","5.4334","0.0005","25.1","0.002","90","","97.674","0.004","90","","2394.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl2 N6 -","- C56 H56 Cl2 N6 -","- C112 H112 Cl4 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.089","0.0476","","","0.1077","0.1391","","","","","","1.129","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130444","7.3004","0.0006","7.2388","0.0007","16.6311","0.0014","90","","99.485","0.008","90","","866.87","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C40 H38 N2 O6 S2 -","2","1","","Liu, Wangsheng; Zhang, Linrui; Liao, Xiaoyun; Chen, Jiean; Huang, Yong","An NHC-Catalyzed [3+2] Cyclization of β-Disubstituted Enals with Benzoyl Cyanides","Chemical Communications","2022","","","","","10.1039/D2CC04025E","","x-ray","0.71073","MoKα","","0.0497","0.0422","","","0.0904","0.0947","","","","","","1.06","","","","has coordinates","277023","2022-08-01","21:49:42",""
"7130454","5.624","0.004","4.719","0.003","37.248","0.003","90","","90.99","0.03","90","","988.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Galia110b (Pritam)","","","- C9 H12 Cl N2 O -","- C9 H12 Cl N2 O -","- C36 H48 Cl4 N8 O4 -","4","2","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1992","0.1379","","","0.3198","0.3659","","","","","","1.074","","","","has coordinates,has disorder","277040","2022-08-02","21:53:03",""
"7130513","18.3227","0.0008","6.1273","0.0003","54.463","0.002","90","","92.615","0.002","90","","6108.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C138 H120 F6 N6 O18 S6 -","- C138 H120 F6 N6 O18 S6 -","- C276 H240 F12 N12 O36 S12 -","2","1","","Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua","Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre","Chemical Communications","2022","","","","","10.1039/D2CC03443C","","","1.54178","CuKα","","0.1171","0.0816","","","0.1774","0.207","","","","","","1.045","","","","has coordinates","277213","2022-08-12","21:50:49",""
"7130514","9.7902","0.0002","8.5037","0.0002","11.6291","0.0003","90","","93.196","0.001","90","","966.65","0.04","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 F N O2 S -","- C23 H20 F N O2 S -","- C46 H40 F2 N2 O4 S2 -","2","1","","Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua","Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre","Chemical Communications","2022","","","","","10.1039/D2CC03443C","","","1.54178","CuKα","","0.0298","0.0284","","","0.0716","0.0728","","","","","","1.05","","","","has coordinates","277213","2022-08-12","21:50:49",""
"7130548","7.746","0.0002","7.0232","0.0001","12.3152","0.0003","90","","98.185","0.002","90","","663.14","0.03","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","","1.54184","CuKα","","0.048","0.0476","","","0.1235","0.1243","","","","","","1.12","","","","has coordinates","277285","2022-08-17","21:59:09",""
"7130549","7.7428","0.0003","7.0274","0.0002","12.3154","0.0004","90","","98.214","0.003","90","","663.23","0.04","292.6","0.2","292.6","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","x-ray","0.71073","MoKα","","0.0275","0.026","","","0.0729","0.074","","","","","","1.049","","","","has coordinates","277285","2022-08-17","21:59:09",""
"7130558","14.7146","0.0007","9.8698","0.0005","25.4906","0.0012","90","","102.876","0.001","90","","3608.9","0.3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H70 Cl2 O4 -","- C97 H70 Cl2 O4 -","- C194 H140 Cl4 O8 -","2","1","","Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang","Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC04139A","","","0.71073","MoKα","","0.1388","0.0829","","","0.203","0.2438","","","","","","1.044","","","","has coordinates","277323","2022-08-19","21:54:53",""
"7130591","8.8486","0.0006","11.4722","0.0009","9.9293","0.0008","90","","95.05","0.003","90","","1004.04","0.13","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 F3 N2 O3 S Sb -","- C17 H26 F3 N2 O3 S Sb -","- C34 H52 F6 N4 O6 S2 Sb2 -","2","1","","Sen, Nilanjana; Gothe, Prachi; Sarkar, Pallavi; Das, Shubhajit; Tothadi, Srinu; Pati, Swapan K.; Khan, Shabana","Donor free stibenium cation as efficient cyanosilylation catalyst","Chemical Communications","2022","","","","","10.1039/D2CC03158B","","","0.71073","MoKα","","0.0166","0.015","","","0.0325","0.0331","","","","","","1.077","","","","has coordinates","277344","2022-08-22","21:51:53",""
"7130605","9.1212","0.0003","5.4427","0.0002","11.9771","0.0004","90","","104.859","0.001","90","","574.71","0.03","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br N O -","- C12 H12 Br N O -","- C24 H24 Br2 N2 O2 -","2","1","","Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei","SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones","Chemical Communications","2022","","","","","10.1039/D2CC03984B","","","0.71073","MoKα","","0.0297","0.0246","","","0.0513","0.0536","","","","","","1.038","","","","has coordinates","277411","2022-08-26","22:16:48",""
"7130641","9.8273","0.0004","32.5702","0.001","11.6532","0.0004","90","","101.048","0.004","90","","3660.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Zn-PTIA-TPT","pMOF","","- C62 H66 N24 O25 Zn4 -","- C62 H66 N24 O25 Zn4 -","- C124 H132 N48 O50 Zn8 -","2","1","","Zhang, Hao; Zhang, Ling-hua; Zhong, Yue; Zhou, Jiaqi; Li, Yuanyuan; Zhang, Ping; Xi, Junting; Shi, Wei; Qian, Hai","A radical photochromic metal-organic framework for boosting NIR-II photothermal conversion and therapy","Chemical Communications","2022","","","","","10.1039/D2CC04064F","","","1.54178","CuKα","","0.0649","0.0518","","","0.1261","0.1359","","","","","","1.051","","","","has coordinates","277603","2022-09-02","21:59:03",""
"7130651","10.8179","0.0002","20.9974","0.0005","13.8796","0.0002","90","","112.673","0.001","90","","2909.08","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C63 H89 N3 O10 -","- C63 H89 N3 O10 -","- C126 H178 N6 O20 -","2","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0394","0.0365","","","0.0881","0.0902","","","","","","1.024","","","","has coordinates","277619","2022-09-05","02:30:51",""
"7130654","12.4889","0.0007","7.0833","0.0004","28.1105","0.0016","90","","93.256","0.002","90","","2482.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H70 N4 O7 -","- C56 H70 N4 O7 -","- C112 H140 N8 O14 -","2","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.05","0.0476","","","0.1241","0.1266","","","","","","1.04","","","","has coordinates","277619","2022-09-05","02:31:20",""
"7130656","10.9618","0.0008","21.0542","0.0014","14.0676","0.0009","90","","111.39","0.002","90","","3023.1","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C63 H89 N3 O10 -","- C63 H88.988 N3 O9.994 -","- C126 H177.976 N6 O19.988 -","2","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0469","0.041","","","0.1004","0.1058","","","","","","1.066","","","","has coordinates,has disorder","277619","2022-09-05","02:31:37",""
"7130679","20.494","0.0018","12.5955","0.0011","20.8355","0.0018","90","","100.742","0.002","90","","5284.1","0.8","140","2","140","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H52 B Cl10 N O P Sb -","- C49 H52 B Cl10 N O P Sb -","- C196 H208 B4 Cl40 N4 O4 P4 Sb4 -","4","2","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0614","0.044","","","0.0854","0.092","","","","","","1.037","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130680","6.1897","0.0015","16.131","0.004","14.212","0.004","90","","90.346","0.009","90","","1419","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H12 N2 O2 -","- C6 H12 N2 O2 -","- C48 H96 N16 O16 -","8","4","","Xu, Xinyue; Chen, Zehang; Lei, yunxiang; Sun, Xinyu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo","Guest-activated Quaternary Ammonium Salt Hosts Emit Room Temperature Phosphorescence","Chemical Communications","2022","","","","","10.1039/D2CC04521D","","","0.71073","MoKα","","0.1122","0.0818","","","0.2114","0.2454","","","","","","1.036","","","","has coordinates","277635","2022-09-05","21:56:04",""
"7130777","14.892","0.002","4.6144","0.0005","16.629","0.002","90","","114.72","0.018","90","","1038","0.3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19.52 N2 O9 -","- C22 H19.52 N2 O9 -","- C44 H39.04 N4 O18 -","2","1","","Fernandes, Rodney Agustinho; Kumar, Atul; Pathare, Ramdas Shivaji","Asymmetric Total Synthesis of (+)-Dihydroitomanallene B and Formal Synthesis of (-)-Kumausallene","Chemical Communications","2022","","","","","10.1039/D2CC04574E","","","0.71073","MoKα","","0.1155","0.0645","","","0.1046","0.1347","","","","","","1.009","","","","has coordinates,has disorder","278223","2022-09-27","21:54:08",""
"7130811","10.1024","0.0018","21.259","0.004","10.8649","0.0019","90","","102.016","0.005","90","","2282.3","0.7","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C24 H29 Cl N2 O2 Ru -","- C24 H29 Cl N2 O2 Ru -","- C96 H116 Cl4 N8 O8 Ru4 -","4","2","","Thongpaen, Jompol; Manguin, Romane; Kittikool, Tanakorn; Camy, Aurèle; Roisnel, Thierry; Dorcet, Vincent; Yotphan, Sirilata; Canac, Yves; Mauduit, Marc; Baslé, Olivier","Ruthenium-NHC complex-catalyzed P(III)-directed C-H borylation of arylphosphines.","Chemical communications (Cambridge, England)","2022","58","86","12082","12085","10.1039/d2cc03909e","","x-ray","0.71073","MoKα","","0.1203","0.0787","","","0.1451","0.1575","","","","","","1.139","","","","has coordinates,has disorder","278964","2022-11-07","05:08:31",""
"7130845","7.65252","0.00005","36.6358","0.0002","14.87749","0.0001","90","","104.469","0.0007","90","","4038.71","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-133_7","","- C22 H18 F6 N4 -","- C22 H18 F6 N4 -","- C176 H144 F48 N32 -","8","4","","Matsumoto, Shota; Umeno, Tomohiro; Suzuki, Noriko; Usui, Kazuteru; Kawahata, Masatoshi; Karasawa, Satoru","Chelate-Free “Turn-ON”-Type Fluorescence Detection of Trivalent Metal Ions","Chemical Communications","2022","","","","","10.1039/D2CC04815A","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0838","0.0844","","","","","","1.046","","","","has coordinates","278525","2022-10-11","21:57:41",""
"7130852","6.4659","0.0014","7.0218","0.0015","14.113","0.003","90","","94.163","0.004","90","","639.1","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C30 H30 N2 O2 S2 -","2","1","","Otog, Nansalmaa; Gantogos, Bilguun; Fujisawa, Ikuhide; Iwasa, Seiji","Highly Enantioselective Synthesis of Norcaradiene Derivatives from Naphthyl Diazoacetamides Using a Ru(II)-Pheox Complex","Chemical Communications","2022","","","","","10.1039/D2CC04355F","","x-ray","0.71075","MoKα","","0.043","0.0399","","","0.0943","0.0977","","","","","","1.081","","","","has coordinates","278566","2022-10-13","21:55:25",""
"7130898","9.161","0.002","4.8349","0.0008","9.983","0.003","90","","105.3","0.03","90","","426.5","0.18","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 F3 N O -","- C8 H12 F3 N O -","- C16 H24 F6 N2 O2 -","2","1","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","1.54184","CuKα","","0.2287","0.1848","","","0.4092","0.4428","","","","","","1.442","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130932","10.5051","0.0004","20.1564","0.0008","13.1906","0.0005","90","","90","0.001","90","","2793.04","0.19","171","2","171","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C136 H160 O24 -","8","4","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0435","0.0356","","","0.0904","0.0923","","","","","","1.087","","","","has coordinates","278862","2022-10-29","08:06:17",""
"7131008","5.9714","0.0006","7.5838","0.0007","23.115","0.002","90","","96.615","0.003","90","","1039.81","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C52 H48 N4 S2 -","2","1","","Guo, Kang; Han, Chunyu; Xie, Xiaofei; Chen, Bin; Cao, Shujun; Yuan, Weidong; Chen, Kang; Liu, Fang; Zhu, Yingguang","Merging photoredox with copper catalysis: enantioselective remote cyanation via 1,4-heteroaryl migration.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc04653a","","","1.54178","CuKα","","0.0343","0.0341","","","0.093","0.0932","","","","","","1.037","","","","has coordinates","279330","2022-11-16","23:00:37",""
"7131086","11.5652","0.0009","14.6334","0.0011","12.0301","0.0011","90","","112.076","0.002","90","","1886.7","0.3","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H38 F3 N3 O6 S Si -","- C32 H38 F3 N3 O6 S Si -","- C64 H76 F6 N6 O12 S2 Si2 -","2","1","","Li, Jian; Sun, Jina; Zhang, Xianglei; Zhang, Ruxue; Wang, Qian; Wang, Lin; Zhang, Leike; Xie, Xiong; Li, Chunpu; Zhou, Yu; Wang, Jiang; Xiao, Gengfu; Bai, Fang; Liu, Hong","Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms.","Chemical communications (Cambridge, England)","2023","59","7","868","871","10.1039/d2cc06371a","","","0.71073","MoKα","","0.1539","0.0857","","","0.2045","0.2526","","","","","","1.017","","","","has coordinates","283075","2023-05-05","00:21:36",""
"7131101","11.4439","0.0011","7.5246","0.0007","17.3527","0.0017","90","","96.303","0.004","90","","1485.2","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H41 N O7 -","- C32 H41 N O7 -","- C64 H82 N2 O14 -","2","1","","Zhou, Zhong-Shun; Zhao, Yun-Li; Hu, Bin-Yuan; Wang, Bei; Liu, Ya-Ping; Zhu, Yan-Yan; He, Ying-Jie; Wang, Zhao-Jie; Dai, Zhi; Zhao, Li-Xing; Luo, Xiao-Dong","Steroidal alkaloid with unprecedented triheterocyclic architecture.","Chemical communications (Cambridge, England)","2023","59","3","326","329","10.1039/d2cc06073f","","","1.54178","CuKα","","0.0495","0.034","","","0.0948","0.1045","","","","","","1.027","","","","has coordinates","283140","2023-05-05","00:42:50",""
"7131148","10.7905","0.0003","6.0625","0.0002","15.4957","0.0004","90","","107.964","0.001","90","","964.27","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 F N O2 -","- C25 H20 F N O2 -","- C50 H40 F2 N2 O4 -","2","1","","Zhou, Ying; Yue, Xin; Jiang, Feng; Sun, Jianwei; Guo, Wengang","Catalytic asymmetric synthesis of α-tertiary aminoketones from sulfoxonium ylides bearing two aryl groups.","Chemical communications (Cambridge, England)","2023","59","9","1193","1196","10.1039/d2cc06147c","","","1.54178","CuKα","","0.0326","0.0321","","","0.0867","0.0873","","","","","","1.045","","","","has coordinates","283083","2023-05-05","00:23:18",""
"7131190","12.2975","0.0008","19.7728","0.0012","12.9875","0.0008","90","","105.886","0.002","90","","3037.4","0.3","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","1-S","","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C116 H144 Cl8 Cr2 F12 N12 O8 P2 -","2","1","","Cheng, Yang; He, Jiang; Zou, Wenjie; Chang, Xiaoyong; Yang, Qingqing; Lu, Wei","Circularly polarized near-infrared phosphorescence of chiral chromium(III) complexes.","Chemical communications (Cambridge, England)","2023","59","13","1781","1784","10.1039/d2cc06548g","","x-ray","0.71073","MoKα","","0.0782","0.0486","","","0.104","0.1144","","","","","","1.014","","","","has coordinates,has disorder","283066","2023-05-05","00:19:30",""
"7131191","12.2991","0.0005","19.7818","0.0008","12.991","0.0005","90","","105.903","0.001","90","","3039.7","0.2","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C116 H144 Cl8 Cr2 F12 N12 O8 P2 -","2","1","","Cheng, Yang; He, Jiang; Zou, Wenjie; Chang, Xiaoyong; Yang, Qingqing; Lu, Wei","Circularly polarized near-infrared phosphorescence of chiral chromium(III) complexes.","Chemical communications (Cambridge, England)","2023","59","13","1781","1784","10.1039/d2cc06548g","","x-ray","0.71073","MoKα","","0.0541","0.0401","","","0.0891","0.0957","","","","","","1.014","","","","has coordinates,has disorder","283066","2023-05-05","00:19:31",""
"7131254","6.0266","0.0003","16.6464","0.0009","9.3779","0.0004","90","","97.785","0.005","90","","932.13","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O7 Zn -","- C14 H26 N2 O7 Zn -","- C28 H52 N4 O14 Zn2 -","2","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","x-ray","0.71073","MoKα","","0.04","0.0389","","","0.0998","0.1009","","","","","","1.067","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131321","16.0941","0.0013","45.047","0.004","16.4682","0.0015","90","","105.336","0.002","90","","11514.2","1.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C187.5 H293 Cl27 N24 O11.5 -","- C176.5 H262 Cl11.9999 N24 O5.5 -","- C353 H524 Cl23.9998 N48 O11 -","2","1","","Kearsey, Rachel J.; Tarzia, Andrew; Little, Marc A.; Brand, Michael C.; Clowes, Rob; Jelfs, Kim E.; Cooper, Andrew I.; Greenaway, Rebecca L.","Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage.","Chemical communications (Cambridge, England)","2023","59","25","3731","3734","10.1039/d3cc00072a","","x-ray","0.71073","MoKα","","0.1259","0.0999","","","0.2502","0.2647","","","","","","1.5","","","","has coordinates,has disorder","283052","2023-05-05","00:14:41",""
"7131322","14.7314","0.0003","41.6927","0.0008","15.9578","0.0003","90","","94.0143","0.0019","90","","9777.1","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C168 H240 N24 -","- C168 H240 N24 -","- C336 H480 N48 -","2","1","","Kearsey, Rachel J.; Tarzia, Andrew; Little, Marc A.; Brand, Michael C.; Clowes, Rob; Jelfs, Kim E.; Cooper, Andrew I.; Greenaway, Rebecca L.","Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage.","Chemical communications (Cambridge, England)","2023","59","25","3731","3734","10.1039/d3cc00072a","","x-ray","0.71073","MoKα","","0.1257","0.066","","","0.12","0.1399","","","","","","1.005","","","","has coordinates","283052","2023-05-05","00:14:42",""
"7131352","7.14183","0.00012","7.64267","0.00012","20.2119","0.0003","90","","93.1825","0.0015","90","","1101.52","0.03","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Lin, Li; Wang, Mei; Zhou, Jiawei; Li, Fei; Liu, Huiyun","Highly diastereo- and enantioselective C2 addition of 5H-oxazol-4-ones to γ-keto-α,β-unsaturated esters.","Chemical communications (Cambridge, England)","2023","59","24","3606","3609","10.1039/d3cc00554b","","","1.54184","CuKα","","0.0321","0.0309","","","0.0826","0.0841","","","","","","1.045","","","","has coordinates,has disorder","282250","2023-04-04","09:34:34",""
"7131356","8.0113","0.0001","13.9038","0.0002","8.5163","0.0002","90","","90.38","0.001","90","","948.59","0.03","213","","213","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C44 H38 N2 O10 -","2","1","","Zhang, Qing-Xia; Xie, Jia-Hao; Gu, Qing; You, Shu-Li","Pd-Catalyzed intermolecular asymmetric allylic dearomatization of 1-nitro-2-naphthols with MBH adducts.","Chemical communications (Cambridge, England)","2023","59","24","3590","3593","10.1039/d3cc00568b","","","1.34139","GaKα","","0.0312","0.0297","","","0.0739","0.0753","","","","","","1.049","","","","has coordinates","282253","2023-04-04","09:35:34",""
"7131439","15.482","0.003","10.1564","0.0017","17.192","0.003","90","","105.727","0.006","90","","2602.1","0.8","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 Ir N2 O2 -","- C23 H29 Ir N2 O2 -","- C92 H116 Ir4 N8 O8 -","4","2","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","","0.71073","MoKα","","0.0465","0.0356","","","0.0633","0.067","","","","","","0.996","","","","has coordinates","283012","2023-05-04","23:58:49",""
"7131442","8.9043","0.0005","14.237","0.0008","9.2991","0.0005","90","","105.794","0.003","90","","1134.35","0.11","101","2","101","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 Ir N2 O2 -","- C25 H33 Ir N2 O2 -","- C50 H66 Ir2 N4 O4 -","2","1","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","","0.71073","MoKα","","0.0379","0.0298","","","0.0545","0.0571","","","","","","1.072","","","","has coordinates","283012","2023-05-04","23:58:50",""
"7131446","14.582","0.004","14.754","0.003","15.384","0.004","90","","95.337","0.013","90","","3295.4","1.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H32 N O3 P -","- C41 H32 N O3 P -","- C164 H128 N4 O12 P4 -","4","2","","Huang, Fen; Tao, Ling-Fei; Liu, Jiyong; Qian, Linghui; Liao, Jia-Yu","Diastereo- and enantioselective synthesis of biaryl aldehydes bearing both axial and central chirality.","Chemical communications (Cambridge, England)","2023","59","30","4487","4490","10.1039/d3cc00708a","","","0.71073","MoKα","","0.0458","0.036","","","0.0865","0.0902","","","","","","1.047","","","","has coordinates","283084","2023-05-05","00:23:30",""
"7131451","15.8271","0.0002","19.9537","0.0001","17.9342","0.0002","90","","105.161","0.001","90","","5466.66","0.1","122.99","0.1","122.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C102 H88 B2 F40 Fe2 Ni2 P10 -","- C102 H88 B2 F40 Fe2 Ni2 P10 -","- C204 H176 B4 F80 Fe4 Ni4 P20 -","2","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring cyclo-P5 decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0377","0.0363","","","0.0914","0.0928","","","","","","1.018","","","","has coordinates","283087","2023-05-05","00:24:39",""
"7131472","11.0497","0.0006","10.5607","0.0008","18.3987","0.0013","90","","106.167","0.004","90","","2062.1","0.2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 I N3 O4 -","- C20 H22 I N3 O4 -","- C80 H88 I4 N12 O16 -","4","2","","Mattila, Milla; Rissanen, Kari; Ward, Jas S.","Chiral carbonyl hypoiodites.","Chemical communications (Cambridge, England)","2023","59","31","4648","4651","10.1039/d3cc00259d","","","0.71073","MoKα","","0.1061","0.0544","","","0.0874","0.1025","","","","","","1.037","","","","has coordinates,has disorder","283094","2023-05-05","00:26:25",""
"7131490","9.5545","0.0014","4.7731","0.0007","12.5151","0.0018","90","","103.509","0.002","90","","554.96","0.14","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Zhang, Chihong; Zhang, Zhen; Wang, Deliang; Wang, Wenkun; Jin, Bo; Wen, Tao; Ye, Lihua; Chen, Zhong-Ning; Cai, Hu","DMSO/tBuONa/O2-mediated efficient syntheses of diverse quinoxalines through α-imino radicals.","Chemical communications (Cambridge, England)","2023","59","35","5217","5220","10.1039/d3cc00086a","","","0.71073","MoKα","","0.0422","0.0356","","","0.0824","0.0868","","","","","","1.065","","","","has coordinates","283120","2023-05-05","00:34:55",""
"7131537","9.10611","0.00006","29.0863","0.0002","32.9649","0.0002","90","","95.7961","0.0006","90","","8686.55","0.1","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H91 Co2 N5 Si10 -","- C36 H91 Co2 N5 Si10 -","- C216 H546 Co12 N30 Si60 -","6","3","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","1.54184","CuKα","","0.0767","0.0722","","","0.1989","0.2051","","","","","","1.078","","","","has coordinates,has disorder","283114","2023-05-05","00:32:24",""
"7131553","14.81742","0.00016","17.256","0.0002","25.0836","0.0003","90","","95.1264","0.0009","90","","6387.96","0.13","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","8","","","- C49 H38 Au Cl2 F18 N7 O12 P2 S6 Zn -","- C49 H38 Au Cl2 F18 N7 O12 P2 S6 Zn -","- C196 H152 Au4 Cl8 F72 N28 O48 P8 S24 Zn4 -","4","2","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0587","0.0354","","","0.063","0.0681","","","","","","0.941","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131583","9.5736","0.0009","8.788","0.0007","11.6294","0.0011","90","","106.122","0.004","90","","939.94","0.15","299","2","298.74","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N3 O6 -","- C16 H25 N3 O6 -","- C32 H50 N6 O12 -","2","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and nN → π*Ar interactions in C-terminal modified prolines: effect on Xaa-Pro cis/trans equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.0763","0.0393","","","0.0867","0.1053","","","","","","1.021","","","","has coordinates","284199","2023-06-05","03:45:35",""
"7131603","9.9949","0.0013","8.8643","0.0011","14.6922","0.0019","90","","107.946","0.004","90","","1238.4","0.3","211","","211","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N4 O -","- C28 H28 N4 O -","- C56 H56 N8 O2 -","2","1","","Kong, Lingheng; Han, Xi; Hu, Panjie; Wang, Fen; Li, Xingwei","Three-component regioselective carboamidation of 1,3-enynes via rhodium(III)-catalyzed C-H activation.","Chemical communications (Cambridge, England)","2023","59","44","6690","6693","10.1039/d3cc01666h","","","1.54178","CuKα","","0.1052","0.035","","","0.0963","0.1299","","","","","","1.142","","","","has coordinates","284169","2023-06-05","03:32:54",""
"7131633","9.8383","0.0003","9.6582","0.0003","10.9876","0.0003","90","","102.287","0.001","90","","1020.13","0.05","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N O4 P -","- C21 H28 N O4 P -","- C42 H56 N2 O8 P2 -","2","1","","Kaboudin, Babak; Ghashghaee, Mojtaba; Fukaya, Haruhiko; Yanai, Hikaru","Stereoselective synthesis of vinylphosphonates through aromatic aza-Claisen rearrangement of α-aminophosphonates.","Chemical communications (Cambridge, England)","2023","59","46","7076","7079","10.1039/d3cc01669b","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0336","","","0.0849","0.0867","","","","","","1.029","","","","has coordinates","284846","2023-07-05","08:52:17",""
"7131643","9.5394","0.0008","11.1681","0.0009","12.3498","0.0012","90","","101.756","0.01","90","","1288.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F N O3 -","- C33 H28 F N O3 -","- C66 H56 F2 N2 O6 -","2","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Jia, Shi-Kun; Xiao, Xiao; Wang, Min-Can; Mei, Guang-Jian","Zn-ProPhenol catalyzed asymmetric inverse-electron-demand Diels-Alder reaction.","Chemical communications (Cambridge, England)","2023","59","45","6929","6932","10.1039/d3cc01641b","","x-ray","1.54184","CuKα","","0.0468","0.0396","","","0.0911","0.0978","","","","","","1.08","","","","has coordinates","284201","2023-06-05","03:46:33",""
"7131689","11.23","0.0004","7.3747","0.0002","23.959","0.0007","90","","99.251","0.002","90","","1958.43","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 O12 S -","- C41 H34 O12 S -","- C82 H68 O24 S2 -","2","1","","Wu, Yuling; Zhou, Wu-Jingyun; Yao, Laiping; Niu, Yadi; Zhao, Hongli; Peng, Cheng; Han, Bo; Huang, Wei; Zhan, Gu","Organocatalytic atroposelective synthesis of naphthoquinone thioglycosides from aryl-naphthoquinones and thiosugars.","Chemical communications (Cambridge, England)","2023","59","47","7279","7282","10.1039/d3cc01705b","","","1.54178","CuKα","","0.0753","0.063","","","0.1785","0.1986","","","","","","0.986","","","","has coordinates,has disorder","284857","2023-07-05","09:02:03",""
"7131695","11.6505","0.0004","12.1341","0.0004","16.4837","0.0006","90","","90.02","0.03","90","","2330.27","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","R-MP-ZnCl","","- C10 H28 Cl8 N4 Zn2 -","- C10 H28 Cl8 N4 Zn2 -","- C40 H112 Cl32 N16 Zn8 -","4","2","","Han, Xiao; Cheng, Puxin; Han, Wenqing; Shi, Rongchao; Guan, Junjie; Li, Geng; Xu, Jialiang","Circularly polarized luminescence and nonlinear optical harmonic generation based on chiral zinc halides.","Chemical communications (Cambridge, England)","2023","59","48","7447","7450","10.1039/d3cc01461d","","x-ray","0.71073","MoKα","","0.0271","0.0236","","","0.0471","0.0478","","","","","","0.971","","","","has coordinates","284864","2023-07-05","09:08:11",""
"7131696","11.6567","0.0004","12.1248","0.0004","16.4859","0.0005","90","","90.02","0.03","90","","2330.04","0.13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","S-MP-ZnCl","","- C20 H56 Cl16 N8 Zn4 -","- C20 H56 Cl16 N8 Zn4 -","- C40 H112 Cl32 N16 Zn8 -","2","1","","Han, Xiao; Cheng, Puxin; Han, Wenqing; Shi, Rongchao; Guan, Junjie; Li, Geng; Xu, Jialiang","Circularly polarized luminescence and nonlinear optical harmonic generation based on chiral zinc halides.","Chemical communications (Cambridge, England)","2023","59","48","7447","7450","10.1039/d3cc01461d","","x-ray","0.71073","MoKα","","0.0286","0.0258","","","0.0567","0.0573","","","","","","1.0239","","","","has coordinates","284864","2023-07-05","09:08:15",""
"7131709","5.0975","0.0001","36.4142","0.0005","10.0043","0.0001","90","","95.264","0.001","90","","1849.18","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C68 H96 N16 O24 -","4","2","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0396","0.0344","","","0.0919","0.0945","","","","","","1.058","","","","has coordinates,has disorder","284853","2023-07-05","08:58:32",""
"7131711","5.0732","0.0001","36.4013","0.0003","10.0547","0.0001","90","","95.365","0.001","90","","1848.68","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H96 N16 O24 -","- C68 H96 N16 O24 -","- C68 H96 N16 O24 -","1","0.5","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0371","0.0338","","","0.0868","0.0886","","","","","","1.055","","","","has coordinates,has disorder","284853","2023-07-05","08:59:21",""
"7131740","9.9442","0.001","11.3228","0.001","10.8455","0.001","90","","92.163","0.003","90","","1220.3","0.2","299","","299","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H23 N O2 S Se -","- C28 H23 N O2 S Se -","- C56 H46 N2 O4 S2 Se2 -","2","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","An electrochemical cascade process: synthesis of 3-selenylindoles from 2-alkynylanilines with diselenides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02294c","","","0.71073","MoKα","","0.0364","0.0299","","","0.0655","0.0698","","","","","","1.018","","","","has coordinates","284540","2023-06-29","07:56:30",""
"7131784","12.1165","0.0005","13.9157","0.0008","13.0991","0.0008","90","","94.688","0.005","90","","2201.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H58 Cs N4 P -","- C45 H58 Cs N4 P -","- C90 H116 Cs2 N8 P2 -","2","1","","Sagar, Shweta; Karmakar, Himadri; Nath, Priyanku; Sarkar, Alok; Chandrasekhar, Vadapalli; Panda, Tarun K.","Highly efficient and well-controlled ROP and copolymerization of cyclic esters using a cesium complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01343j","","","0.71073","MoKα","","0.0457","0.0342","","","0.0658","0.0695","","","","","","0.975","","","","has coordinates","284557","2023-06-29","08:30:29",""
"7131825","13.5084","0.0003","8.3024","0.0001","26.1715","0.0005","90","","102.594","0.007","90","","2864.57","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H31 Br O3 Si -","- C15 H31 Br O3 Si -","- C90 H186 Br6 O18 Si6 -","6","3","","Hikawa, Ryoga; Shimogaki, Mio; Kano, Taichi","Construction of three contiguous stereocenters through amine-catalyzed asymmetric aldol reactions.","Chemical communications (Cambridge, England)","2023","59","54","8424","8427","10.1039/d3cc01606d","","","1.54187","CuKα","","0.0384","0.038","","","0.0891","0.0895","","","","","","1.182","","","","has coordinates,has disorder","284774","2023-07-04","21:53:02",""
"7131859","11.9991","0.0002","26.3427","0.0003","12.144","0.0002","90","","95.928","0.001","90","","3818.05","0.1","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33.5 H63 B N7 O Si Ti -","- C33.5 H63 B N7 O Si Ti -","- C134 H252 B4 N28 O4 Si4 Ti4 -","4","2","","Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.","A mononuclear, terminal titanium(III) imido.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01758c","","x-ray","0.71073","MoKα","","0.0856","0.0701","","","0.1799","0.1901","","","","","","1.015","","","","has coordinates","285084","2023-07-07","21:54:10",""
"7131861","13.381","0.005","6.665","0.002","15.732","0.005","90","","94.009","0.009","90","","1399.6","0.8","145","2","144.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","FmocF-AMN","","- C34 H36 N2 O4 -","- C34 H38 N2 O4 -","- C68 H76 N4 O8 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.245","0.1004","","","0.2064","0.2717","","","","","","0.958","","","","has coordinates","285086","2023-07-07","21:56:08",""
"7131862","10.809","0.004","6.008","0.002","17.143","0.006","90","","104.532","0.011","90","","1077.7","0.7","197","2","197.48","","","","","","","","","5","P 1 21 1","P 2yb","4","","NbocF-MAF","","- C21 H29 N3 O6 S -","- C21 H29 N3 O6 S -","- C42 H58 N6 O12 S2 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.1285","0.0622","","","0.1101","0.1421","","","","","","1.004","","","","has coordinates","285086","2023-07-07","21:56:09",""
"7131863","13.423","0.014","6.446","0.007","13.679","0.015","90","","95.363","0.016","90","","1178","2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","NbocF-AMN","","- C24 H36 N2 O4 -","- C24 H36 N2 O4 -","- C48 H72 N4 O8 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.1216","0.0544","","","0.1252","0.1584","","","","","","0.901","","","","has coordinates","285086","2023-07-07","21:56:09",""
"7131864","12.229","0.005","5.6301","0.0017","20.557","0.006","90","","101.471","0.011","90","","1387.1","0.8","260","2","259.84","","","","","","","","","5","P 1 21 1","P 2yb","4","","FmocF-MAF","","- C31 H31 N3 O6 S -","- C31 H31 N3 O6 S -","- C62 H62 N6 O12 S2 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.1869","0.0748","","","0.1384","0.1847","","","","","","1.016","","","","has coordinates","285086","2023-07-07","21:56:09",""
"7131897","13.6588","0.0003","9.30808","0.00016","28.8554","0.0006","90","","95.8388","0.0016","90","","3649.56","0.13","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 Co N4 O5 -","- C40 H44 Co N4 O5 -","- C160 H176 Co4 N16 O20 -","4","2","","Milichko, Valentin; Kulachenkov, Nikita; Orlioglo, Bogdan; Vasilyev, Evgene S.; Povarov, Svyatoslav; Agafontsev, Alexander; Bachinin, Semen; Shipilovskikh, Sergei; Lunev, Artem; Samsonenko, Denis G.; Fedin, Vladimir P.; Kovalenko, Konstantin A.","Metal-mediated tunability of MOF-based optical modulator","Chemical Communications","2023","","","","","10.1039/D3CC02180G","","x-ray","0.71073","MoKα","","0.0384","0.0325","","","0.0736","0.0751","","","","","","0.99","","","","has coordinates,has disorder","285250","2023-07-17","21:55:36",""
"7131898","13.5294","0.0006","9.2669","0.0003","28.7704","0.0012","90","","95.68","0.004","90","","3589.4","0.2","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N4 Ni O5 -","- C40 H44 N4 Ni O5 -","- C160 H176 N16 Ni4 O20 -","4","2","","Milichko, Valentin; Kulachenkov, Nikita; Orlioglo, Bogdan; Vasilyev, Evgene S.; Povarov, Svyatoslav; Agafontsev, Alexander; Bachinin, Semen; Shipilovskikh, Sergei; Lunev, Artem; Samsonenko, Denis G.; Fedin, Vladimir P.; Kovalenko, Konstantin A.","Metal-mediated tunability of MOF-based optical modulator","Chemical Communications","2023","","","","","10.1039/D3CC02180G","","x-ray","0.71073","MoKα","","0.055","0.0474","","","0.0973","0.0996","","","","","","1.115","","","","has coordinates,has disorder","285250","2023-07-17","21:55:37",""
"7131904","11.6045","0.0003","18.8105","0.0006","11.9676","0.0003","90","","115.144","0.001","90","","2364.82","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H71 N2 P Si -","- C56 H71 N2 P Si -","- C112 H142 N4 P2 Si2 -","2","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","0.71073","MoKα","","0.0399","0.0383","","","0.1004","0.1018","","","","","","1.034","","","","has coordinates","285296","2023-07-20","21:55:33",""
"7131905","16.6726","0.0008","13.2923","0.0006","18.7216","0.0009","90","","90.063","0.002","90","","4149","0.3","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H63 N2 P Si -","- C49 H63 N2 P Si -","- C196 H252 N8 P4 Si4 -","4","2","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34139","GaKα","","0.1024","0.0587","","","0.1315","0.1526","","","","","","1.071","","","","has coordinates","285296","2023-07-20","21:55:34",""
"7131926","5.80174","0.00008","8.60271","0.00012","11.79661","0.00016","90","","99.5596","0.0005","90","","580.601","0.014","168","","168","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 B F3 N3 P -","- C9 H10 B F3 N3 P -","- C18 H20 B2 F6 N6 P2 -","2","1","","Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian","Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts","Chemical Communications","2023","","","","","10.1039/D3CC03268J","","","0.71073","MoKα","","0.0264","0.0261","","","0.059","0.0594","","","","","","1.159","","","","has coordinates","285352","2023-07-26","21:58:30",""
"7132013","18.5558","0.0009","18.6589","0.001","21.0096","0.0011","90","","91.388","0.0014","90","","7272","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H112 B4 Br N5 O Si2 -","- C73 H112 B4 Br N5 O Si2 -","- C292 H448 B16 Br4 N20 O4 Si8 -","4","2","","Zhu, Lizhao; Kinjo, Rei","Insertion of carbon monoxide into an unsymmetrical diborene to form an oxaborirane.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02844e","","x-ray","0.71073","MoKα","","0.1494","0.0641","","","0.0987","0.1215","","","","","","0.98","","","","has coordinates,has disorder","285600","2023-08-09","21:55:30",""
"7132037","9.5754","0.0001","16.4083","0.0001","11.8833","0.0001","90","","97.402","0.001","90","","1851.5","0.03","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl2 O Os P2 -","- C44 H36 Cl2 O Os P2 -","- C88 H72 Cl4 O2 Os2 P4 -","2","1","","Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng","Fused Metallacyclopropenes from Alkynylphenols","Chemical Communications","2023","","","","","10.1039/D3CC03084A","","","1.54184","CuKα","","0.0183","0.0181","","","0.0456","0.0457","","","","","","1.086","","","","has coordinates","285832","2023-08-22","21:57:49",""
"7132139","7.7574","0.0007","13.918","0.0014","9.8197","0.0009","90","","107.102","0.003","90","","1013.33","0.17","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N3 O3 -","- C23 H18 Br N3 O3 -","- C46 H36 Br2 N6 O6 -","2","1","","Biswas, Subhankar; Purkayastha, Siddhartha Kumar; Guha, Ankur Kanti; Pan, Subhas Chandra","Sequential Organo and Metal Catalyzed Reaction Between 3-Pyrrolyloxindoles and Linear Nitroenynes: Access to Cyclic Aza-Spirooxindoles","Chemical Communications","2023","","","","","10.1039/D3CC03713D","","","0.71073","MoKα","","0.0257","0.0234","","","0.0554","0.057","","","","","","0.709","","","","has coordinates","286356","2023-09-15","21:55:16",""
"7132158","10.4638","0.001","13.6095","0.001","11.5026","0.001","90","","102.123","0.004","90","","1601.5","0.2","290","2","290","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl3 N4 O S -","- C32 H35 Cl3 N4 O S -","- C64 H70 Cl6 N8 O2 S2 -","2","1","","Dai, Jiang; Xiong, Wei; Li, Dong-Yu; Cai, Zhongzheng; Zhu, Jian-Bo","Bifunctional Thiourea-Based Organocatalysts Promoted Kinetic Resolution Polymerization of Racemic Lactide to Isotactic Polylactide","Chemical Communications","2023","","","","","10.1039/D3CC04203K","","","0.71073","MoKα","","0.0842","0.0529","","","0.1186","0.1383","","","","","","1","","","","has coordinates","286589","2023-09-28","21:55:40",""
"7132179","5.0947","0.0006","6.2681","0.0005","5.3883","0.0006","90","","113.232","0.014","90","","158.12","0.03","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","glycine, beta polymorph","aminoacetic acid, beta polymorph","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean","Single crystal formation in core-shell capsules.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03727d","","x-ray","0.71073","MoKα","","0.0514","0.0429","","","0.0887","0.097","","","","","","1.073","","","","has coordinates","286826","2023-10-06","21:56:41",""
"7132210","8.78319","0.00006","10.61767","0.00007","9.51916","0.00006","90","","114.958","0.0008","90","","804.83","0.011","123.15","","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N5 O3 -","- C16 H17 N5 O3 -","- C32 H34 N10 O6 -","2","1","","Watanabe, Shunsuke; Wada, Yuki; Kawano, Masaki; Higashibayashi, Shuhei; Sugai, Takeshi; Hanaya, Kengo","Selective modification of tryptophan in polypeptides via C-N coupling with azoles using in situ-generated iodine-based oxidants in aqueous media.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03731b","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0672","0.0674","","","","","","1.051","","","","has coordinates","286986","2023-10-16","21:55:06",""
"7132246","9.901","0.0006","7.1701","0.0004","10.0087","0.0006","90","","109.195","0.002","90","","671.03","0.07","305","2","305","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 N8 O11 -","- C7 H6 N8 O11 -","- C14 H12 N16 O22 -","2","1","","Bhatia, Prachi; Pandey, Krishna; Das, Priyanka; Kumar, Dheeraj","Bis(dinitropyrazolyl)methanes spruced up with hydroxyl group: High performance energetic salts with reduced sensitivity","Chemical Communications","2023","","","","","10.1039/D3CC04445A","","","0.71073","MoKα","","0.0331","0.0309","","","0.0925","0.0963","","","","","","0.794","","","","has coordinates","287075","2023-10-23","21:57:00",""
"7132248","10.663","0.003","8.316","0.003","13.502","0.004","90","","98.809","0.005","90","","1183.1","0.6","270","2","270","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Wang, Ping; Tong, Yu-Qiao; Yin, Shi Qing; Gu, Qian Jun; Huang, Bo; Zhu, Ai-Xin","Exceptional structural phase transition near room temperature in an organic-inorganic hybrid ferroelectric","Chemical Communications","2023","","","","","10.1039/D3CC04186G","","","0.71073","MoKα","","0.0248","0.0243","","","0.0599","0.0602","","","","","","1.034","","","","has coordinates","287090","2023-10-24","21:56:11",""
"7132270","13.566","0.003","5.0135","0.0009","13.582","0.002","90","","107.667","0.005","90","","880.2","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","HL5","","- C44 H39.2 F2 N4 O4 -","- C44 H39.2 F2 N4 O4 -","- C44 H39.2 F2 N4 O4 -","1","0.5","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.1146","0.0642","","","0.1422","0.1725","","","","","","1.033","","","","has coordinates,has disorder","287145","2023-10-27","21:55:36",""
"7132271","13.596","0.004","5.0457","0.0013","13.851","0.004","90","","105.532","0.009","90","","915.5","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","HL3","","- C2.46 H2.19 Cl0.11 N0.22 O0.22 -","- C2.45556 H2.18889 Cl0.111111 N0.222222 O0.222222 -","- C44.2 H39.4 Cl2 N4 O4 -","18","9","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0652","0.0482","","","0.1125","0.1225","","","","","","1.045","","","","has coordinates,has disorder","287145","2023-10-27","21:55:36",""
"7132272","5.1334","0.0011","17.55","0.004","20.516","0.004","90","","90.216","0.007","90","","1848.3","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","HL4","","- C44 H36 Br2 N4 O4 -","- C44 H36 Br2 N4 O4 -","- C88 H72 Br4 N8 O8 -","2","1","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0766","0.0515","","","0.0946","0.1033","","","","","","1.031","","","","has coordinates","287145","2023-10-27","21:55:36",""
"7132274","13.9547","0.0013","16.5604","0.0016","16.4837","0.0015","90","","100.864","0.003","90","","3741","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Cu(L3)2","","- C22 H17.75 Cl Cu0.5 N2 O2 -","- C22 H17.75 Cl Cu0.5 N2 O2 -","- C176 H142 Cl8 Cu4 N16 O16 -","8","4","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0503","0.0393","","","0.0829","0.0873","","","","","","1.041","","","","has coordinates","287145","2023-10-27","21:55:36",""
"7132282","5.0202","0.0004","29.187","0.002","5.9119","0.0005","90","","100.468","0.003","90","","851.82","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","AB 03 435","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","x-ray","1.54178","CuKα","","0.0587","0.0587","","","0.1568","0.1568","","","","","","1.0434","","","","has coordinates","287174","2023-10-31","22:57:14",""
"7132293","9.3277","0.0001","26.9016","0.0001","9.3909","0.0001","90","","107.691","0.001","90","","2245.02","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(6R,7S)-5-(benzo[d]thiazol-2-yl)-6-(3-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C108 H88 N8 O8 S4 -","4","2","","Dyguda, Mateusz; Przydacz, Artur; Albrecht, Łukasz","Dearomative, aminocatalytic formal normal-electron-demand aza-Diels-Alder cycloaddition in the synthesis of tetrahydrofuropyridines.","Chemical communications (Cambridge, England)","2023","59","86","12903","12906","10.1039/d3cc03946c","","x-ray","1.54184","CuKα","","0.0223","0.0222","","","0.0599","0.06","","","","","","1.034","","","","has coordinates","287250","2023-11-04","05:39:35",""
"7132299","8.94012","0.00013","12.9377","0.0002","9.96505","0.00014","90","","93.8561","0.0013","90","","1149.99","0.03","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl F6 I O2 -","- C21 H24 Cl F6 I O2 -","- C42 H48 Cl2 F12 I2 O4 -","2","1","","Milzarek, Tobias M.; Ramirez, Nieves P.; Liu, Xing-Yu; Waser, Jerome","One-pot synthesis of functionalized bis(trifluoromethylated)benziodoxoles from iodine(I) precursors.","Chemical communications (Cambridge, England)","2023","59","84","12637","12640","10.1039/d3cc04525k","","x-ray","1.54184","CuKα","","0.0306","0.0306","","","0.0793","0.0793","","","","","","1.036","","","","has coordinates","287253","2023-11-04","05:49:51",""
"7132302","14.931","0.0011","4.4906","0.0003","23.0319","0.0016","90","","90.011","0.004","90","","1544.27","0.19","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H13.98 N2 O -","- C22 H13.979 N2 O -","- C88 H55.916 N8 O4 -","4","2","","Pramanik, Susnata; Khatua, Snehadrinarayan; Gaikwad, Sudhakar; Lyngkhoi, Deikrisha Lyngdoh; Kumar, Naveen; Ahamed, Rafiq; Samanta, Jayanta","Excitation wavelength-dependent multi-coloured and white-light emissive pyrene-based hydrazones: suppression of Kasha's rule","Chemical Communications","2023","","","","","10.1039/D3CC04584F","","","0.71073","MoKα","","0.1898","0.149","","","0.3912","0.423","","","","","","1.46","","","","has coordinates,has disorder","287258","2023-11-04","22:56:39",""
"7132372","7.8461","0.001","15.301","0.0019","13.0363","0.0015","90","","98.601","0.004","90","","1547.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H29 B N O2 P -","- C40 H29 B N O2 P -","- C80 H58 B2 N2 O4 P2 -","2","1","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","","0.71073","MoKα","","0.0322","0.0307","","","0.0801","0.0812","","","","","","1.054","","","","has coordinates","287692","2023-11-20","22:57:49",""
"7132374","12.44859","0.0001","37.3327","0.0002","16.40694","0.00015","90","","102.295","0.0008","90","","7450.06","0.1","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C190 H142 Cl2 N4 O8 P4 Rh2 -","- C190 H142 Cl2 N4 O8 P4 Rh2 -","- C380 H284 Cl4 N8 O16 P8 Rh4 -","2","1","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","x-ray","1.54184","CuKα","","0.0527","0.05","","","0.1298","0.1315","","","","","","1.02","","","","has coordinates,has disorder","287692","2023-11-20","22:57:54",""
"7132421","11.978","0.003","9.923","0.003","14.449","0.004","90","","96.646","0.013","90","","1705.8","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","2","","Trinh, Tuan Anh; Fu, Yue; Hu, Derek B.; Zappia, Soren A.; Guzei, Ilia A.; Liu, Peng; Schomaker, Jennifer M.","Chemo- and enantioselective intramolecular silver-catalyzed aziridinations of carbamimidates.","Chemical communications (Cambridge, England)","2023","60","2","224","227","10.1039/d3cc05670h","","x-ray","0.71073","MoKα","K-L~3~","0.0241","0.0231","","","0.0577","0.0584","","","","","","1.057","","","","has coordinates,has disorder","289351","2024-02-04","11:11:38",""
"7132445","8.0868","0.0012","6.9699","0.001","10.0387","0.0015","90","","90.595","0.002","90","","565.79","0.14","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C30 H24 O4 -","2","1","","Zhang, Xu; Wang, Di; Chang, Mengfan; Xu, Xuefeng; Li, Wenguang; Wang, Wanya","Pd(II)-Catalyzed tandem selective dehydrogenative [4+2] annulation of 2-methyl-1,3-cycloalkanediones with olefins.","Chemical communications (Cambridge, England)","2024","60","5","594","597","10.1039/d3cc05191a","","","0.71073","MoKα","","0.0541","0.0493","","","0.1395","0.1448","","","","","","1.067","","","","has coordinates","289335","2024-02-04","11:06:20",""
"7132459","10.845","0.0005","11.7874","0.0006","11.0385","0.0005","90","","97.286","0.005","90","","1399.71","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H31 Br O6 -","- C32 H31 Br O6 -","- C64 H62 Br2 O12 -","2","1","","Liu, Zi-Hao; Xiao, Jian; Zhai, Qian-Qian; Tang, Xi; Xu, Li-Jun; Zhuang, Zhi-Yuan; Wang, Ya-Wen; Peng, Yu","Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin.","Chemical communications (Cambridge, England)","2024","60","6","694","697","10.1039/d3cc05312a","","","0.71073","MoKα","","0.0614","0.0432","","","0.0773","0.0865","","","","","","1.01","","","","has coordinates","289360","2024-02-04","11:14:58",""
"7132472","6.6812","0.001","7.0171","0.0011","7.8472","0.0012","90","","104.571","0.005","90","","356.06","0.09","104","2","104","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 N6 O2 -","- C5 H4 N6 O2 -","- C10 H8 N12 O4 -","2","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2H-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","","0.71073","MoKα","","0.0306","0.0303","","","0.0802","0.0804","","","","","","1.064","","","","has coordinates","289368","2024-02-04","11:17:59",""
"7132529","8.7417","0.0002","13.759","0.0002","9.4773","0.0002","90","","112.031","0.002","90","","1056.67","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C48 H48 N8 O8 -","2","1","","Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin","Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction.","Chemical communications (Cambridge, England)","2024","60","8","992","995","10.1039/d3cc05212e","","x-ray","1.54184","CuKα","","0.032","0.0315","","","0.0833","0.0838","","","","","","1.054","","","","has coordinates","289329","2024-02-04","11:02:47",""
"7132539","15.7613","0.0002","13.63024","0.00018","21.2238","0.0018","90","","89.397","0.003","90","","4559.3","0.4","119.99","0.1","119.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H140 Al2 K2 N4 O10 Si4 -","- C78 H140 Al2 K2 N4 O10 Si4 -","- C156 H280 Al4 K4 N8 O20 Si8 -","2","1","","O'Reilly, Andrea; Gardiner, Michael G.; McMullin, Claire L.; Fulton, J. Robin; Coles, Martyn P.","Aluminyl derived ethene functionalization with heteroallenes, leading to an intramolecular ligand rearrangement.","Chemical communications (Cambridge, England)","2024","60","7","881","884","10.1039/d3cc05785b","","x-ray","1.54184","CuKα","","0.0281","0.0269","","","0.0741","0.0745","","","","","","1.052","","","","has coordinates,has disorder","289363","2024-02-04","11:15:54",""
"7132542","14.567","0.003","22.094","0.004","18.901","0.004","90","","105.02","0.03","90","","5875","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C118 H89 B2 F8 N19 Pd2 -","- C118 H89 B2 F8 N19 Pd2 -","- C236 H178 B4 F16 N38 Pd4 -","2","1","","Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang","Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.","Chemical communications (Cambridge, England)","2024","60","9","1184","1187","10.1039/d3cc04864k","","","0.71073","MoKα","","0.0981","0.0931","","","0.2469","0.2499","","","","","","1.012","","","","has coordinates","289378","2024-02-04","11:21:09",""
"7132598","11.4979","0.0004","20.9867","0.0006","13.7765","0.0005","90","","104.384","0.003","90","","3220.1","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H86 B3 Br N6 O2 Si -","- C67 H86 B3 Br N6 O2 Si -","- C134 H172 B6 Br2 N12 O4 Si2 -","2","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","0.71073","MoKα","","0.0805","0.068","","","0.1708","0.1843","","","","","","1.04","","","","has coordinates","290108","2024-03-04","19:56:36",""
"7132614","10.97433","0.00016","9.78846","0.00014","11.7517","0.0002","90","","102.023","0.0016","90","","1234.7","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 O3 P -","- C30 H33 O3 P -","- C60 H66 O6 P2 -","2","1","","Huang, Yu; Zhang, Yulong; Pan, Li; Wu, Qian; Li, Ning; Shi, Enxue; Xiao, Junhua","CAMDOL-enabled diastereoselective synthesis of α-substituted phosphonates.","Chemical communications (Cambridge, England)","2024","60","14","1924","1927","10.1039/d3cc05436e","","x-ray","1.54184","CuKα","","0.0307","0.0301","","","0.0786","0.079","","","","","","1.08","","","","has coordinates","290097","2024-03-04","19:53:08",""
"7132615","11.2201","0.0006","8.4447","0.0005","13.8792","0.0009","90","","98.303","0.002","90","","1301.28","0.13","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 N3 O3 P -","- C27 H33 N2 O4 P -","- C54 H66 N4 O8 P2 -","2","1","","Chen, Zi-Jia; Fan, Ling-Jie; Xie, Pei-Pei; Qian, Pu-Fan; Hu, Xinquan; Zhou, Tao; Shi, Bing-Feng","Pd(II)-Catalyzed enantioselective C-H olefination toward the synthesis of P-stereogenic phosphinamides.","Chemical communications (Cambridge, England)","2024","60","12","1623","1626","10.1039/d3cc05052a","","","0.71073","MoKα","","0.0313","0.0309","","","0.0798","0.0803","","","","","","1.076","","","","has coordinates,has disorder","290106","2024-03-04","19:55:07",""
"7132643","5.0644","0.0002","7.3853","0.0003","51.831","0.002","90","","90.179","0.002","90","","1938.58","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H73 N O4 S3 -","- C35 H73 N O4 S3 -","- C70 H146 N2 O8 S6 -","2","1","","Musozoda, Muhammadiqboli; Muller, 2nd, Joseph E; Anderson, Grace I.; Boucher, Mairead; Zeller, Matthias; Raymond, Casey C.; Hillesheim, Patrick C.; Mirjafari, Arsalan","Alkyl-templated cocrystallization of long-chain 1-bromoalkanes by lipid-like ionic liquids.","Chemical communications (Cambridge, England)","2024","60","13","1723","1726","10.1039/d3cc04834a","","","1.54178","CuKα","","0.074","0.0567","","","0.1343","0.1435","","","","","","1.028","","","","has coordinates","290094","2024-03-04","19:51:16",""
"7132678","10.1692","0.0002","9.7507","0.0002","23.6934","0.0005","90","","101.686","0.001","90","","2300.67","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl2 N4 O -","- C27 H22 Cl2 N4 O -","- C108 H88 Cl8 N16 O4 -","4","2","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of C,N-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","","1.54178","CuKα","","0.0368","0.0329","","","0.0759","0.0783","","","","","","1.059","","","","has coordinates","290081","2024-03-04","19:47:51",""
"7132703","8.5052","0.0003","16.9899","0.0007","10.0551","0.0004","90","","107.507","0.002","90","","1385.69","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N2 O6 -","- C27 H35 Cl N2 O6 -","- C54 H70 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0373","0.0354","","","0.0938","0.0955","","","","","","1.046","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132704","10.7599","0.0005","9.7943","0.0005","14.5273","0.0006","90","","111.649","0.003","90","","1422.98","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl N2 O6 -","- C30 H33 Cl N2 O6 -","- C60 H66 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0465","0.038","","","0.0798","0.0835","","","","","","1.05","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132705","10.7438","0.0004","9.7103","0.0003","14.4644","0.0005","90","","110.923","0.002","90","","1409.5","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 Cl2 N2 O6 -","- C29 H30 Cl2 N2 O6 -","- C58 H60 Cl4 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0315","0.0278","","","0.0638","0.0658","","","","","","1.04","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132707","10.6827","0.0008","9.9438","0.0008","14.441","0.0011","90","","110.66","0.003","90","","1435.37","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0378","0.0364","","","0.0988","0.1003","","","","","","1.053","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132708","10.8824","0.0006","10.0217","0.0006","14.4325","0.0008","90","","111.003","0.002","90","","1469.44","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 Cl N2 O6 -","- C33 H31 Cl N2 O6 -","- C66 H62 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0363","0.0359","","","0.0961","0.0964","","","","","","1.069","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132710","10.7094","0.0003","9.8205","0.0003","14.5002","0.0004","90","","111.286","0.001","90","","1420.97","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl N2 O6 -","- C30 H33 Cl N2 O6 -","- C60 H66 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0305","0.0282","","","0.0693","0.0706","","","","","","1.048","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132711","13.8243","0.0008","9.1832","0.0005","13.8585","0.0008","90","","117.871","0.003","90","","1555.27","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 F6 N2 O6 -","- C31 H30 F6 N2 O6 -","- C62 H60 F12 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0599","0.0511","","","0.1242","0.1321","","","","","","1.04","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132712","12.9498","0.0011","9.6063","0.0008","13.1925","0.0011","90","","117.118","0.003","90","","1460.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 F3 N2 O6 -","- C33 H29 F3 N2 O6 -","- C66 H58 F6 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0273","0.0261","","","0.066","0.0671","","","","","","1.092","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132713","10.9173","0.0007","9.1344","0.0006","14.1599","0.001","90","","108.014","0.002","90","","1342.85","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C58 H64 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0286","0.0283","","","0.0775","0.078","","","","","","1.026","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132714","11.4316","0.0008","9.5763","0.0006","14.2272","0.001","90","","111.456","0.003","90","","1449.55","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 F3 N2 O6 -","- C30 H31 F2.9997 N2 O6 -","- C60 H62 F5.9994 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0493","0.0479","","","0.1206","0.1221","","","","","","1.063","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132734","7.2004","0.0003","6.8661","0.0003","16.0022","0.0006","90","","100.88","0.004","90","","776.91","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Sarkar, Rahul; Korell, Alexander; Schneider, Christoph","Organocatalytic enantioselective oxa-Piancatelli rearrangement.","Chemical communications (Cambridge, England)","2024","60","22","3063","3066","10.1039/d4cc00708e","","","0.71073","MoKα","","0.0528","0.0409","","","0.0727","0.0792","","","","","","1.046","","","","has coordinates","291505","2024-05-05","00:44:23",""
"7132743","10.3062","0.0001","7.7018","0.0001","10.3247","0.0001","90","","101.056","0.001","90","","804.326","0.015","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(diphenylamino)pyridin-1-ium tetrafluoroborate","","- C17 H15 B F4 N2 -","- C17 H15 B F4 N2 -","- C34 H30 B2 F8 N4 -","2","1","","McDonald, Peter W.; Ritchie, Chris","A multi-chromic boron trifluoride-pyridyl Lewis adduct.","Chemical communications (Cambridge, England)","2024","60","22","3051","3054","10.1039/d3cc05996k","","x-ray","1.54184","CuKα","","0.0328","0.032","","","0.0831","0.0838","","","","","","1.067","","","","has coordinates","291501","2024-05-05","00:40:37",""
"7132770","5.5934","0.0002","10.4137","0.0003","12.5612","0.0004","90","","97.969","0.003","90","","724.6","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","wc","wc","","- C13 H14 Cl N O4 S -","- C13 H14 Cl N O4 S -","- C26 H28 Cl2 N2 O8 S2 -","2","1","","Wan, Chuan; Yang, Dongyan; Guo, Xiaochun; Zhang, Tuanjie; Ruan, Zhijun; Dai, Chuan; Xing, Yun; Yin, Feng; Wang, Rui; Li, Zigang","β-Carbonyl sulfonium enables cysteine-specific bioconjugation for activity-based protein profiling in live cells.","Chemical communications (Cambridge, England)","2024","60","27","3725","3728","10.1039/d4cc00295d","","","1.54184","CuKα","","0.0303","0.0302","","","0.0824","0.0824","","","","","","1.038","","","","has coordinates","291513","2024-05-05","00:51:02",""
"7132777","9.1592","0.0003","17.6405","0.0005","10.2784","0.0003","90","","94.192","0.001","90","","1656.27","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H33 N O7 S -","- C41 H33 N O7 S -","- C82 H66 N2 O14 S2 -","2","1","","Barik, Shilpa; Sankar, Ganga; Biju, Akkattu T.","Enantioselective synthesis of tricyclic oxoquinolines via NHC-catalyzed Michael-aldol-lactamization-dehydration cascade.","Chemical communications (Cambridge, England)","2024","60","32","4290","4293","10.1039/d4cc00502c","","","0.71073","MoKα","","0.0501","0.0354","","","0.0741","0.0803","","","","","","1.042","","","","has coordinates","291516","2024-05-05","00:52:27",""
"7132791","5.4153","0.0005","11.2753","0.0012","9.4479","0.001","90","","98.633","0.007","90","","570.34","0.1","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N,N-Dimethyl-2-carboxyl-3-methyl-hexanamide","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C20 H38 N2 O6 -","2","1","","Zhang, Qiuxin; Zhang, Heng; Geng, Senbai; Zhao, Xian; Liu, Shucheng; Hong, Kun; Pan, Jianming; Yan, Xingchen","Green transformation of CO2 into γ-amino alcohols with continuous stereocenters.","Chemical communications (Cambridge, England)","2024","60","15","2062","2065","10.1039/d3cc05193e","","x-ray","1.54178","CuKα","","0.0492","0.0453","","","0.1199","0.1239","","","","","","1.065","","","","has coordinates","290042","2024-03-04","00:16:00",""
"7132797","7.9095","0.0002","18.2594","0.0004","9.7522","0.0003","90","","99.742","0.002","90","","1388.13","0.06","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","Thesis - Compound A.10 - CO47","CO47","","- C24 H27 B N8 O2 Te W -","- C24 H27 B N8 O2 Te W -","- C48 H54 B2 N16 O4 Te2 W2 -","2","1","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.0532","0.0521","","","0.1347","0.1359","","","","","","1.066","","","","has coordinates","290818","2024-04-04","22:32:15",""
"7132809","8.546","0.004","6.518","0.003","15.6","0.008","90","","105.428","0.009","90","","837.7","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Magham, Lakshmi Revati; Samad, Abdus; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Organocatalytic enantioselective desymmetrization of enal-tethered cyclohexane-1,3-diones.","Chemical communications (Cambridge, England)","2024","60","28","3834","3837","10.1039/d4cc00487f","","","0.71073","MoKα","","0.0702","0.044","","","0.0899","0.1003","","","","","","1.051","","","","has coordinates","290798","2024-04-04","22:25:15",""
"7132835","13.3831","0.0003","7.1785","0.0002","26.0801","0.0005","90","","93.166","0.002","90","","2501.71","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55.66 H21.3 Cl3.31 F10 N8 Pd S -","- C55.653 H21.306 Cl3.306 F10 N8 Pd S -","- C111.306 H42.612 Cl6.612 F20 N16 Pd2 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.812","Synchrotron","","0.0642","0.0537","","","0.1382","0.1423","","","","","","1.029","","","","has coordinates,has disorder","291540","2024-05-05","01:08:41",""
"7132857","11.5667","0.0013","5.2499","0.0006","12.1291","0.0014","90","","117.369","0.003","90","","654.08","0.13","205","","205","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O -","- C17 H18 O -","- C34 H36 O2 -","2","1","","Wang, Kun; Niu, Saisai; Tang, Weijun; Xue, Dong; Xiao, Jianliang; Li, Hongfeng; Wang, Chao","Ru-catalyzed asymmetric hydrogenation of α,β-unsaturated ketones via a hydrogenation/isomerization cascade.","Chemical communications (Cambridge, England)","2024","60","32","4338","4341","10.1039/d4cc00356j","","","1.54178","CuKα","","0.0633","0.0627","","","0.1636","0.1646","","","","","","1.151","","","","has coordinates","291515","2024-05-05","00:51:55",""
"7132858","12.4586","0.0002","9.2797","0.0002","13.4386","0.0003","90","","105.661","0.002","90","","1495.99","0.05","476","200","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H45 F5 O2 -","- C30 H45 F5 O2 -","- C60 H90 F10 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0628","0.0577","","","0.1755","0.184","","","","","","1.075","","","","has coordinates,has disorder","291523","2024-05-05","00:57:16",""
"7132859","12.9607","0.0004","8.8159","0.0002","13.5926","0.0004","90","","106.421","0.003","90","","1489.74","0.08","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 F7 O2 -","- C31 H45 F7 O2 -","- C62 H90 F14 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0533","0.0527","","","0.1423","0.143","","","","","","1.062","","","","has coordinates","291523","2024-05-05","00:57:19",""
"7132860","12.299","0.0006","9.2607","0.0005","14.5611","0.0009","90","","94.027","0.005","90","","1654.38","0.16","299.1","0.6","299.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H45 F9 O2 -","- C32 H45 F9 O2 -","- C64 H90 F18 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0991","0.0811","","","0.226","0.2564","","","","","","1.031","","","","has coordinates,has disorder","291523","2024-05-05","00:57:19",""
"7132861","12.7803","0.0005","9.3254","0.0004","13.7005","0.0007","90","","104.745","0.005","90","","1579.07","0.13","300","2","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 F7 O2 -","- C31 H45 F7 O2 -","- C62 H90 F14 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","","1.54184","CuKα","","0.0947","0.0781","","","0.241","0.274","","","","","","1.031","","","","has coordinates,has disorder","291523","2024-05-05","00:57:19",""
"7132863","13.3455","0.0003","8.8735","0.0002","14.404","0.0003","90","","90.499","0.002","90","","1705.68","0.06","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H45 F13 O2 -","- C34 H45 F13 O2 -","- C68 H90 F26 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0526","0.0478","","","0.1367","0.1425","","","","","","1.065","","","","has coordinates","291523","2024-05-05","00:57:19",""
"7132885","10.5669","0.0003","8.0829","0.0002","11.7127","0.0003","90","","113","0.001","90","","920.87","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C42 H46 N2 O6 S2 -","2","1","","Li, Hongye; Zhou, Yuqiao; Tan, Zheng; Wang, Xiangyu; Zhang, Yuxin; Wang, Fei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective sulfonylation to construct 3-sulfonylated oxindoles.","Chemical communications (Cambridge, England)","2024","60","32","4354","4357","10.1039/d4cc00802b","","","1.54178","CuKα","","0.0261","0.0257","","","0.0633","0.0636","","","","","","1.065","","","","has coordinates","291524","2024-05-05","00:57:47",""
"7132893","10.0658","0.0002","15.252","0.0004","11.7038","0.0003","90","","110.346","0.001","90","","1684.71","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H41 Cl4 O P Ru -","- C35 H41 Cl4 O P Ru -","- C70 H82 Cl8 O2 P2 Ru2 -","2","1","","Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Planar-chiral arene ruthenium complexes: synthesis, separation of enantiomers, and application for catalytic C-H activation.","Chemical communications (Cambridge, England)","2024","60","33","4491","4494","10.1039/d4cc00181h","","","0.71073","MoKα","","0.0576","0.0431","","","0.0708","0.0764","","","","","","1.019","","","","has coordinates,has disorder","291526","2024-05-05","00:59:19",""
"7132894","7.049","0.003","11.48","0.005","19.45","0.008","90","","98.623","0.004","90","","1556.2","1.1","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 Br N2 O2 -","- C15 H19 Br N2 O2 -","- C60 H76 Br4 N8 O8 -","4","2","","Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Planar-chiral arene ruthenium complexes: synthesis, separation of enantiomers, and application for catalytic C-H activation.","Chemical communications (Cambridge, England)","2024","60","33","4491","4494","10.1039/d4cc00181h","","","0.71073","MoKα","","0.1548","0.0679","","","0.1185","0.1504","","","","","","1.059","","","","has coordinates,has disorder","291526","2024-05-05","00:59:29",""
"7132941","10.9048","0.0001","14.2184","0.0002","11.9956","0.0001","90","","110.377","0.001","90","","1743.51","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O2 S -","- C17 H22 N2 O2 S -","- C68 H88 N8 O8 S4 -","4","2","","Wei, Tao; Xie, Ming-Sheng; Guo, Hai-Ming","Construction of Thioglycoside Bond via asymmetric organocatalyzed sulfa-Michael/Aldol reaction: Access to 4’-thionucleosides","Chemical Communications","2024","","","","","10.1039/D4CC00984C","","x-ray","1.54184","CuKα","","0.0768","0.0732","","","0.2","0.2085","","","","","","1.137","","","","has coordinates","291139","2024-04-08","21:59:39",""
"7132989","9.4083","0.0001","19.422","0.0002","15.7483","0.0002","90","","103.473","0.001","90","","2798.46","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 Au B2 F8 N6 -","- C21 H29 Au B2 F8 N6 -","- C84 H116 Au4 B8 F32 N24 -","4","2","","Barwise, Lachlan; Moon, Lachlan; Dhakal, Bibidh; Hogan, Conor Francis; White, Keith Forrest; Dutton, Jason Laurence","An extremely electron poor Au(III) trication bearing acetonitrile ligands","Chemical Communications","2024","","","","","10.1039/D4CC00818A","","x-ray","1.54184","CuKα","","0.0388","0.0374","","","0.0979","0.0988","","","","","","1.042","","","","has coordinates","291434","2024-05-01","21:54:39",""
"7133002","9.9552","0.0005","15.3552","0.0008","11.9194","0.0006","90","","98.955","0.002","90","","1799.84","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Cl4 Np O2 P2 -","- C36 H30 Cl4 Np O2 P2 -","- C72 H60 Cl8 Np2 O4 P4 -","2","1","","Lopez, Lauren Marie; Uible, Madeleine; Bart, Suzanne Cathleen; Zeller, Matthias","Lewis Base Adducts of NpCl4","Chemical Communications","2024","","","","","10.1039/D4CC01560F","","","1.54178","CuKα","","0.0214","0.0207","","","0.0517","0.0519","","","","","","1.067","","","","has coordinates","291477","2024-05-03","21:53:06",""
"7150000","5.773","0.001","22.641","0.003","10.86","0.02","90","","105.38","0.002","90","","1369","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O15 -","- C22 H31 N O15 -","- C44 H62 N2 O30 -","2","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71069","MoKα","","0.1852","0.0617","","","0.0844","0.1141","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150002","10.131","0.002","20.904","0.004","12.459","0.002","90","","92.53","0.03","90","","2636","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N3 O7 -","- C26 H35 N3 O7 -","- C104 H140 N12 O28 -","4","2","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0439","0.0359","","","0.0845","0.0883","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150031","7.5387","0.0005","6","0.0005","11.4544","0.0008","90","","91.308","0.005","90","","517.97","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","stb8b2","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C22 H28 O4 S2 -","2","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.1133","0.11","","","0.2717","0.2753","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150036","7.997","0.002","12.221","0.002","11.812","0.002","90","","100.647","0.004","90","","1134.5","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(Diethoxy-phosphoryl)-3-methyl-4-oxo-2-(toluene-4-sulfonylamino)- pentanoic acid ethyl ester","","- C19 H30 N O8 P S -","- C19 H30 N O8 P S -","- C38 H60 N2 O16 P2 S2 -","2","1","","Kjaersgaard, Anne; Jørgensen, Karl Anker","Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.","Organic & biomolecular chemistry","2005","3","5","804","808","10.1039/b416294c","","","0.71073","MoKα","","","0.033","","","","0.048","","","","","","1.188","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150045","10.197","0.005","16.139","0.008","10.043","0.005","90","","114.16","0.006","90","","1508","1.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C70 H72 N4 O8 -","2","1","","Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki","Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.","Organic & biomolecular chemistry","2005","3","9","1609","1611","10.1039/b416535g","","","0.7107","MoKα","","0.0875","0.0621","","","0.1216","0.1359","","","","","","1.103","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150053","13.3374","0.0017","7.6406","0.001","15.5158","0.0019","90","","98.311","0.004","90","","1564.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","28-epi-cyasterone 2","","","- C29 H50 O11 -","- C29 H44 O11 -","- C58 H88 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.2112","0.1447","","","0.3689","0.4073","","","","","","1.303","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150054","13.6542","0.0011","7.7755","0.0004","15.7636","0.0012","90","","100.215","0.003","90","","1647.1","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","cyasterone 1","","","- C32 H56 O11 -","- C32 H56 O11 -","- C64 H112 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.0667","0.0647","","","0.1674","0.1693","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150062","10.0036","0.0007","27.0011","0.0018","12.1811","0.0008","90","","95.159","0.001","90","","3276.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-hydroxy-3,6,11-trimethyl-1,2,4a,13a-tetrahydro-5,12-dioxa- dibenzo(a,e)cyclo-nonan-13-one","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","4","","Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques","Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars.","Organic & biomolecular chemistry","2005","3","7","1308","1318","10.1039/b419381d","","","0.71073","MoKα","","0.0581","0.045","","","0.0854","0.0901","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150068","8.7774","0.0004","8.3066","0.0004","13.4961","0.0008","90","","96.211","0.0017","90","","978.23","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C34 H62 N2 O14 -","2","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0491","0.0437","","","0.1123","0.1169","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150069","6.3217","0.0002","13.4551","0.0004","17.512","0.0005","90","","93.06","0.0016","90","","1487.43","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R,5S,5S)-Spiro(6,6-dimethyl-bicyclo(3.1.1)heptane)-2,5-(5,6- dihydro-(1,3)dithiolo(4,5-b)(1,4)dithiine-2-thione)","(1R,5S,5S)-Spiro[6,6-dimethyl-bicyclo[3.1.1]heptane]-2,5- [5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione]","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","2","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0682","0.0422","","","0.0989","0.1131","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150070","7.2322","0.0002","9.3635","0.0002","11.3961","0.0003","90","","106.405","0.0011","90","","740.31","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6- trimethyl-1,3-dithiolo(4,5-b)-(1,4)benzodithiin-2-thione","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6-trimethyl- 1,3-dithiolo[4,5-b]-[1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C26 H32 S10 -","2","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0418","0.0386","","","0.091","0.0932","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150086","11.2674","0.001","19.6076","0.0016","12.0348","0.001","90","","117.463","0.002","90","","2359.2","0.3","295","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Zammit, Steven C.; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of (-)-trachyspic acid.","Organic & biomolecular chemistry","2005","3","11","2073","2074","10.1039/b504258e","","","0.71073","MoKα","","0.0979","0.0457","","","0.074","0.0856","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150088","12.723","0.001","5.3119","0.0003","17.908","0.001","90","","100.305","0.003","90","","1190.76","0.13","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 N3 O6 S -","- C22 H31 N3 O6 S -","- C44 H62 N6 O12 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.08","","","","0.154","","","","","","1.389","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150089","11.2302","0.0004","5.539","0.0002","17.85","0.001","90","","95.444","0.002","90","","1105.33","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N3 O5 S -","- C22 H29 N3 O5 S -","- C44 H58 N6 O10 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.067","","","","0.067","","","","","","1.447","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150101","8.889","0.001","11.196","0.001","13.856","0.001","90","","92.09","0.01","90","","1378","0.2","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N3 O6 -","- C25 H39 N3 O6 -","- C50 H78 N6 O12 -","2","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.0925","0.0601","","","0.1092","0.1232","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150103","25.9377","0.0017","31.857","0.002","26.5255","0.0018","90","","106.746","0.002","90","","20988","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H191 N2 Na7 O69 S8 -","- C132 H134 N2 Na7 O67.5 S8 -","- C528 H536 N8 Na28 O270 S32 -","4","2","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2131","0.1806","","","0.4369","0.4681","","","","","","1.979","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150106","15.46","0.004","32.209","0.008","15.512","0.004","90","","103.096","0.004","90","","7523","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H205 N6 O91.5 -","- C108 H156 N6 O91.5 -","- C216 H312 N12 O183 -","2","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1371","0.0972","","","0.2595","0.2859","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150129","5.6","0.001","24.29","0.002","7.74","0.001","90","","96.24","0.004","90","","1046.6","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4R-(1R-hydroxy-(4-nitrophenyl)-methyl)-1,3-oxazolidin-2-one","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","2","","Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra","Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.","Organic & biomolecular chemistry","2005","3","6","967","969","10.1039/b418848a","","","1.54178","CuKα","","0.0478","0.0452","","","0.0867","0.0885","","","","","","0.909","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150143","13.383","0.0004","7.0716","0.0002","13.9236","0.0005","90","","110.93","0.0015","90","","1230.77","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C54 H68 N4 O8 -","2","1","","Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.","Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.","Organic & biomolecular chemistry","2005","3","8","1435","1447","10.1039/b500566c","","","0.71073","MoKα","","","0.0316","","","","0.0354","","","","","","1.0513","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150165","10.927","0.008","8.372","0.006","14.62","0.01","90","","96.444","0.014","90","","1329","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N O4 S -","- C12 H18 N O4 S -","- C48 H72 N4 O16 S4 -","4","2","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0938","0.0842","","","0.2226","0.2352","","","","","","0.93","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150274","9.934","0.004","5.408","0.002","22.042","0.001","90","","96.59","0.01","90","","1176.3","0.6","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","idoazeridine","idoazeridine","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C52 H62 N2 O12 -","2","1","","Dhavale, Dilip D.; Kumar, K. S. Ajish; Chaudhari, Vinod D.; Sharma, Tarun; Sabharwal, Sushma G.; Prakashareddy, J.","Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition.","Organic & biomolecular chemistry","2005","3","20","3720","3726","10.1039/b509216g","","","0.71073","MoKα","","0.0814","0.0631","","","0.1485","0.1554","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150290","6.7593","0.0005","7.8597","0.0006","18.4268","0.0014","90","","90.99","0.004","90","","978.8","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Basak, Amit; Ghosh, Subhash C.; Das, Amit K.; Bertolasi, Valerio","A novel azetidinyl gamma-lactam based peptide with a preference for beta-turn conformation.","Organic & biomolecular chemistry","2005","3","22","4050","4052","10.1039/b511029g","","","0.71073","MoKα","","0.1237","0.0517","","","0.1133","0.1422","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150294","6.4142","0.0004","13.0225","0.0013","12.6626","0.0012","90","","91.031","0.005","90","","1057.52","0.16","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O9 -","- C21 H27 N O9 -","- C42 H54 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0857","0.0694","","","0.1661","0.176","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150305","10.4635","0.0003","9.3926","0.0002","10.5987","0.0003","90","","111.888","0.001","90","","966.55","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27.5 Br O6.25 -","- C17 H27 Br O6.25 -","- C34 H54 Br2 O12.5 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0738","0.0635","","","0.1591","0.1663","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150342","9.1245","0.0011","3.7622","0.0007","20.595","0.006","90","","95.806","0.004","90","","703.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-bis(2-methoxy-3-pyridyl)pyrimidine","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.0547","0.0403","","","0.0965","0.104","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150345","9.637","0.004","5.314","0.003","14.574","0.007","90","","93.1","0.03","90","","745.3","0.6","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C6 H12 F N O2 -","- C6 H8.76 F N O2 -","- C24 H35.04 F4 N4 O8 -","4","2","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.2149","0.1075","","","0.2256","0.2851","","","","","","1.035","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150350","13.365","0.004","11.036","0.004","19.88","0.003","90","","94.05","0.02","90","","2924.9","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C59 H71 N5 O6 Si3 -","- C59 H66 N5 O6 Si3 -","- C118 H132 N10 O12 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7093","","","0.0995","0.0525","","","0.1492","0.1792","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150352","9.808","0.0005","10.901","0.0004","21.496","0.0008","90","","95.211","0.002","90","","2288.79","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(triisopropylsilyl)-guanosine","2',3',5'-O-tris(triisopropylsilyl)-guanosine","","- C37 H73 N5 O5 Si3 -","- C37 H73 N5 O5 Si3 -","- C74 H146 N10 O10 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.1122","0.1089","","","0.372","0.3936","","","","","","1.981","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150355","10.168","0.0008","8.024","0.0006","22.947","0.0019","90","","90","0.004","90","","1872.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","","- C28 H55 N5 O4 Si3 -","- C28 H55 N5 O4 Si3 -","- C56 H110 N10 O8 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0858","0.0809","","","0.1898","0.1964","","","","","","1.086","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150356","16.428","0.004","7.794","0.006","23.465","0.005","90","","104.988","0.016","90","","2902","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C88 H164 N20 O16 Si8 -","4","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7107","MoKα","","0.1288","0.0454","","","0.1035","0.1288","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150378","7.575","0.005","13.478","0.006","10.641","0.006","90","","109.04","0.05","90","","1027","1","295","","295","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C16 H33 N O5 Si -","- C16 H33 N O5 Si -","- C32 H66 N2 O10 Si2 -","2","1","","Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre","The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors.","Organic & biomolecular chemistry","2004","2","10","1492","1499","10.1039/b402542c","","","0.71073","MoKα","","0.0799","0.0577","","0.0929","0.068","0.068","","","","","","1.0005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150383","5.473","0.0002","11.0206","0.0004","12.9676","0.0005","90","","100.877","0.002","90","","768.1","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 O8 S -","- C14 H16 O8 S -","- C28 H32 O16 S2 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Palomero, Maria A.; Polara, Alessandra; Rodriguez, Felix; Sheppard, Tom D.","Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.","Organic & biomolecular chemistry","2004","2","24","3618","3627","10.1039/b412790k","","","0.71069","MoKα","","0.0475","0.0385","","","0.0883","0.0935","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150397","10.4924","0.0006","16.5364","0.001","10.7738","0.0006","90","","96.584","0.001","90","","1857","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H50 B2 F8 N2 O10 -","- C30 H50 B2 F8 N2 O10 -","- C60 H100 B4 F16 N4 O20 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0891","0.0807","","","0.2265","0.2357","","","","","","1.083","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150401","10.547","0.008","12.605","0.005","12.023","0.004","90","","96.44","0.04","90","","1588.3","1.5","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N3 O3 -","- C31 H45 N3 O3 -","- C62 H90 N6 O6 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","1.5418","CuKα","","0.0981","0.05","","","0.1283","0.1645","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150408","8.4757","0.0001","19.208","0.0003","11.8021","0.0002","90","","97.964","0.001","90","","1902.87","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0413","0.0374","","","0.0998","0.1035","","","","","","1.031","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150426","8.087","0.001","11.369","0.001","14.0678","0.0009","90","","104.498","0.007","90","","1252.2","0.2","299.2","","299.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O3 Si -","- C24 H33 N3 O3 Si -","- C48 H66 N6 O6 Si2 -","2","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0374","0.036","","0.038","","0.038","","","3.701","","","3.77","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150429","12.358","0.001","14.623","0.001","19.349","0.002","90","","106.678","0.001","90","","3349.5","0.5","170","1","170","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","1,2-bis(2'-methyl-5'-((((R)-1-phenylethyl)amino)carbonyl)- thien-3'-yl)-perfluorocyclopentene","1,2-bis(2'-methyl-5'-{[((R)-1-phenylethyl)amino]carbonyl}-thien-3'-yl)- perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Uchida, Kingo; Walko, Martin; de Jong, Jaap J. D.; Sukata, Shin-ichiro; Kobatake, Seiya; Meetsma, Auke; van Esch, Jan; Feringa, Ben L.","Diastereoselective cyclization of a dithienylethene switch through single crystal confinement.","Organic & biomolecular chemistry","2006","4","6","1002","1006","10.1039/b517370a","","","0.71073","MoKα","","0.0948","0.0667","","","0.1546","0.17","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150433","7.884","0.001","5.6159","0.0004","17.964","0.001","90","","90.753","0.004","90","","795.3","0.12","183.2","","183.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0404","","","0.0418","","","","","1.508","1.508","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150438","7.6412","0.0004","11.8424","0.0009","15.8245","0.0007","90","","102.434","0.003","90","","1398.37","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H39 N O6 Si -","- C28 H39 N O6 Si -","- C56 H78 N2 O12 Si2 -","2","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150440","3.82","0.0006","9.5681","0.0016","14.756","0.002","90","","93.579","0.004","90","","538.28","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-methoxy-2-methyl-1-azaxanthone","9-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0487","0.0276","","0.0411","0.0297","0.0297","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150443","3.8693","0.0005","12.3848","0.0016","10.4698","0.0013","90","","95.015","0.002","90","","499.8","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Methyl-1-azathioxanthone","2-Methyl-1-azathioxanthone","","- C13 H9 N O S -","- C13 H9 N O S -","- C26 H18 N2 O2 S2 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0746","0.0634","","","0.151","0.1587","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150449","11.1034","0.0011","11.9818","0.0014","9.9624","0.0012","90","","109.214","0.008","90","","1251.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C54 H64 N4 O8 S2 -","2","1","","Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki","Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives","Organic & Biomolecular Chemistry","2003","1","2","381","","10.1039/b208823a","","","0.71069","MoKα","","0.0377","0.0297","","","0.0971","0.1054","","","","","","0.902","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150450","12.2395","0.0015","20.5642","0.0014","10.904","0.0016","90","","94.209","0.011","90","","2737.1","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O4 S -","- C29 H38 N2 O4 S -","- C116 H152 N8 O16 S4 -","4","2","","Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki","Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives","Organic & Biomolecular Chemistry","2003","1","2","381","","10.1039/b208823a","","","1.54178","CuKα","","0.0507","0.0416","","","0.1229","0.1305","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150453","12.368","0.003","17.711","0.004","21.575","0.004","90","","92.382","0.004","90","","4721.9","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-2-((1R,8aR)-8a-methyl-1,2,3,4,6,7,8,8a-octahydro-1-naphthyl)propyl N-((1S)-1-(1-naphthyl)ethyl)carbamate","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C216 H280 N8 O16 -","8","4","","Chen, Yong-Jun; Gao, Ling-Jie; Murad, Ibrahim; Verstuyf, Annemieke; Verlinden, Lieve; Verboven, Christel; Bouillon, Roger; Viterbo, Davide; Milanesio, Marco; Van Haver, Dirk; Vandewalle, Maurits; De Clercq, Pierre J.","Synthesis, biological activity, and conformational analysis of CD-ring modified trans-decalin 1α,25-dihydroxyvitamin D analogsElectronic supplementary information (ESI) available: Further experimental details. See http://www.rsc.org/suppdata/ob/b2/b209147j/","Organic & Biomolecular Chemistry","2003","1","2","257","","10.1039/b209147j","","","0.71073","MoKα","","0.0865","0.042","","","0.0867","0.112","","","","","","0.933","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150454","6.1182","0.0003","6.6921","0.0004","10.181","0.0005","90","","94.019","0.003","90","","415.82","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Compound X","","","- C9 H14 O2 -","- C9 H14 O2 -","- C18 H28 O4 -","2","1","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0541","0.0425","","","0.0878","0.0929","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150477","7.512","0.001","18.733","0.004","11.599","0.002","90","","103.1","0.01","90","","1589.8","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Crystal 6((S)-1/4)","(S)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate","","- C32 H37 N O11 -","- C12.8 H14.8 N0.4 O4.4 -","- C64 H74 N2 O22 -","5","2.5","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0579","0.0418","","","0.1003","0.1066","","","","","","0.944","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150478","7.506","0.001","18.714","0.003","11.59","0.002","90","","103.03","0.01","90","","1586.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Crystal 5((S)-1/4)","(S)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate","","- C32 H37 N O11 -","- C32 H37 N O11 -","- C64 H74 N2 O22 -","2","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0676","0.045","","","0.1061","0.1151","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150527","9.0302","0.0003","8.0096","0.0003","12.164","0.0004","90","","109.737","0.001","90","","828.12","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0453","0.0385","","","0.0866","0.0913","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150528","7.6843","0.0002","10.9358","0.0003","10.2015","0.0003","90","","100.974","0.002","90","","841.6","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0596","0.042","","","0.1141","0.1424","","","","","","1.349","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150536","11.422","0.000001","8.778999","0.000001","15.357","0.000001","90","","107.527","0.000003","90","","1468.41","0.0002","120","","120","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C34 H35 Fe N O6 -","- C34 H35 Fe N O6 -","- C68 H70 Fe2 N2 O12 -","2","1","","Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E.","Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid","Organic & Biomolecular Chemistry","2009","7","3","527","536","10.1039/b814453b","","","0.71073","MoKα","","0.0394","0.0373","","0.0374","0.0372","0.0372","","","","","","1.1712","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150541","11.4599","0.0004","8.2053","0.0003","14.7752","0.0007","90","","92.142","0.001","90","","1388.37","0.1","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) - dicyanomethide","5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) -dicyanomethide","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.0615","0.0465","","","0.1059","0.112","","","","","","0.989","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150544","5.5615","0.0017","27.699","0.008","10.094","0.003","90","","105.644","0.006","90","","1497.4","0.8","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","2","","Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.","Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula","Organic & Biomolecular Chemistry","2009","7","2","238","252","10.1039/b814953d","","","0.71073","MoKα","","0.0772","0.0464","","0.0728","0.0493","0.0493","","","","","","1.1154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150545","5.5615","0.0017","27.699","0.008","10.094","0.003","90","","105.644","0.006","90","","1497.4","0.8","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","2","","Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.","Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula","Organic & Biomolecular Chemistry","2009","7","2","238","252","10.1039/b814953d","","","0.6898","synchrotron","","0.0763","0.0528","","0.1238","0.1102","0.1238","","","","","","1.0051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150549","8.1942","0.0012","9.732","0.0007","13.0079","0.0013","90","","104.996","0.009","90","","1002","0.2","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C46 H42 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0867","0.0523","","0.0833","0.0752","0.0833","","","1.08","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150565","6.655","0.001","21.318","0.0011","17.247","0.002","90","","91.568","0.011","90","","2445.9","0.5","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C108 H176 O8 -","4","2","","Martin, René; Schmidt, Arndt W.; Theumer, Gabriele; Krause, Tilo; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Synthesis and biological activity of the (25R)-cholesten-26-oic acids—ligands for the hormonal receptor DAF-12 in Caenorhabditis elegans","Organic & Biomolecular Chemistry","2009","7","5","909","920","10.1039/b817358c","","","0.71073","MoKα","","0.0725","0.049","","","0.1236","0.1401","","","","","","1.055","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150612","9.9472","0.0002","13.2994","0.0002","11.5775","0.0002","90","","114.658","0.0008","90","","1391.95","0.04","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","2","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0495","0.0434","","","0.1138","0.1187","","","","","","1.085","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150620","8.3976","0.0011","22.631","0.003","10.234","0.0014","90","","102.952","0.004","90","","1895.4","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N3 O11 -","- C38 H45 N3 O11 -","- C76 H90 N6 O22 -","2","1","","Ribes, Celia; Falomir, Eva; Murga, Juan; Carda, Miguel; Alberto Marco, J.","Convergent, stereoselective syntheses of the glycosidase inhibitors broussonetines D and M","Organic & Biomolecular Chemistry","2009","7","7","1355","1360","10.1039/b821431j","","x-ray","0.71073","MoKα","","0.2248","0.0686","","","0.1408","0.2022","","","","","","0.957","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150645","9.8195","0.0009","29.059","0.003","15.0113","0.0014","90","","95.039","0.002","90","","4266.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H42 Cl F6 N3 P2 Pd -","- C47 H42 Cl F6 N3 P2 Pd -","- C188 H168 Cl4 F24 N12 P8 Pd4 -","4","2","","Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J.","Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters","Organic & Biomolecular Chemistry","2009","7","12","2520","2524","10.1039/b900741e","","","0.71073","MoKα","","0.0443","0.0408","","","0.1005","0.1028","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150659","7.361","0.003","10.817","0.004","12.31","0.004","90","","106.652","0.008","90","","939.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-ethyl 3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)hex-5-enoate","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Kerhervé, Jennifer; Botuha, Candice; Dubois, Joëlle","New asymmetric synthesis of protein farnesyltransferase inhibitors via palladium-catalyzed cross-coupling reactions of 2-iodo-imidazoles","Organic & Biomolecular Chemistry","2009","7","10","2214","2222","10.1039/b902601k","","","0.71069","MoKα","","0.0561","0.0411","","","0.099","0.1082","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150660","12.3683","0.0017","4.9903","0.0008","12.8281","0.0018","90","","93.207","0.013","90","","790.5","0.2","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O -","- C17 H23 N O -","- C34 H46 N2 O2 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","1.5418","CuKα","","0.0533","0.0511","","0.0611","0.0559","0.0557","","","","","","1.0335","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150661","4.8727","0.0001","10.8284","0.0002","24.6333","0.0006","90","","95.4698","0.0009","90","","1293.82","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","0.71073","MoKα","","0.0683","0.041","","0.0728","0.0444","0.0511","","","","","","1.1768","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150668","7.5568","0.0009","5.6463","0.0008","12.8318","0.0011","90","","92.578","0.007","90","","546.95","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C22 H22 Cl2 O6 -","2","1","","Kashinath, Dhurke; Mioskowski, Charles; Falck, J. R.; Goli, Mohan; Meunier, Stéphane; Baati, Rachid; Wagner, Alain","Highly stereoselective synthesis of (Z,E)-1-halo-1,3-dienol esters via rearrangement of Fischer chromium chloro-carbenes using microwave irradiation","Organic & Biomolecular Chemistry","2009","7","9","1771","1774","10.1039/b903244b","","","0.71073","MoKα","","0.094","0.0638","","","0.14","0.1674","","","","","","1.111","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150669","12.2334","0.0015","4.9607","0.0006","18.6244","0.0019","90","","105.91","0.007","90","","1086.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H31 I N2 O4 -","- C18 H31 I N2 O4 -","- C36 H62 I2 N4 O8 -","2","1","","Carbain, Benoit; Martin, Stephen R.; Collins, Patrick J.; Hitchcock, Peter B.; Streicher, Hansjörg","Galactose-conjugates of the oseltamivir pharmacophore—new tools for the characterization of influenza virus neuraminidases","Organic & Biomolecular Chemistry","2009","7","12","2570","2575","10.1039/b903394g","","x-ray","0.71073","MoKα","","0.1334","0.0736","","","0.1482","0.1772","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150672","7.0336","0.0001","20.633","0.0003","10.916","0.0001","90","","102.955","0.001","90","","1543.85","0.03","84","2","84","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","2","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0367","0.0336","","","0.0844","0.0872","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150677","11.802","0.001","7.528","0.001","15.271","0.002","90","","110.66","0.01","90","","1269.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 Br O -","- C27 H47 Br O -","- C54 H94 Br2 O2 -","2","1","","Martin, René; Saini, Ratni; Bauer, Ingmar; Gruner, Margit; Kataeva, Olga; Zagoriy, Vyacheslav; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","4α-Bromo-5α-cholestan-3β-ol and nor-5α-cholestan-3β-ol derivatives—stereoselective synthesis and hormonal activity in Caenorhabditis elegans","Organic & Biomolecular Chemistry","2009","7","11","2303","2309","10.1039/b904001c","","","0.71073","MoKα","","0.0393","0.0268","","","0.0574","0.0611","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150689","10.0148","0.0006","10.6959","0.0007","12.9949","0.0008","90","","102.575","0.001","90","","1358.59","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H37 N O5 S -","- C30 H37 N O5 S -","- C60 H74 N2 O10 S2 -","2","1","","Badorrey, Ramón; Portaña, Elsa; Díaz-de-Villegas, María D.; Gálvez, José A.","Stereocontrolled synthesis of orthogonally protected 2-substituted 4-aminopiperidines","Organic & Biomolecular Chemistry","2009","7","14","2912","2918","10.1039/b904948g","","","0.71073","MoKα","","0.0418","0.0401","","","0.1018","0.1028","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150690","6.6372","0.0004","18.6367","0.0012","12.6435","0.0008","90","","93.235","0.001","90","","1561.45","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 F3 O10 -","- C33 H39 F3 O10 -","- C66 H78 F6 O20 -","2","1","","Simpson, Denise S.; Lovell, Kimberly M.; Lozama, Anthony; Han, Nina; Day, Victor W.; Dersch, Christina M.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthetic studies of neoclerodane diterpenes from Salvia divinorum: role of the furan in affinity for opioid receptors","Organic & Biomolecular Chemistry","2009","7","18","3748","3756","10.1039/b905148a","","","0.71073","MoKα","","0.0488","0.045","","","0.1069","0.1087","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150696","6.1387","0.0007","11.0076","0.0013","10.776","0.0013","90","","103.653","0.002","90","","707.58","0.14","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","","Hong, Bor-Cherng; Nimje, Roshan Y.; Liao, Ju-Hsiou","Enantioselective synthesis of highly functionalized octahydro-6-oxo-1-phenylnaphthalene-2-carbaldehydes via organocatalytic domino reactions","Organic & Biomolecular Chemistry","2009","7","15","3095","","10.1039/b906205j","","","0.71073","MoKα","","0.0473","0.0435","","","0.1224","0.1266","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150698","11.284","0.005","14.758","0.005","29.067","0.005","90","","91.04","0.02","90","","4840","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H116 N6 O16 S2 -","- C110 H112 N6 O16 S2 -","- C220 H224 N12 O32 S4 -","2","1","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study","Organic & Biomolecular Chemistry","2009","7","18","3698","3708","10.1039/b906409e","","","1.54178","CuKα","","0.1832","0.0727","","","0.2062","0.2254","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150704","5.1252","0.0001","19.681","0.0002","9.804","0.0001","90","","96.1731","0.0006","90","","983.19","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Phenylacetyl)-4-[(2S)-1-(phenylacetyl)-2-pyrrolidinyl]-2,3-dihydro-1H-pyrrole","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Copley, Royston C. B.","An investigation into the electrophilic cyclisation of N-acyl-pyrrolidinium ions: a facile synthesis of pyrrolo-tetrahydroisoquinolones and pyrrolo-benzazepinones","Organic & Biomolecular Chemistry","2009","7","17","3561","3571","10.1039/b907400g","","","1.54178","CuKα","","0.0309","0.0304","","","0.0813","0.0818","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150717","6.2307","0.0011","16.094","0.003","8.0544","0.0015","90","","96.906","0.002","90","","801.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09058a","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C36 H46 N2 O4 -","2","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0425","0.0342","","","0.0811","0.0861","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150729","8.9756","0.0005","17.3489","0.001","12.2509","0.0007","90","","94.036","0.002","90","","1902.94","0.19","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H50 N2 O13 S -","- C36 H50 N2 O13 S -","- C72 H100 N4 O26 S2 -","2","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0386","0.0339","","","0.0857","0.0882","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150744","9.974","0.0003","8.811","0.0003","12.149","0.0005","90","","108.248","0.001","90","","1013.97","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Blay, Gonzalo; Cardona, Luz; Fernández, Isabel; Marco-Aleixandre, Alícia; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective addition of terminal alkynes to aromatic aldehydes using zinc-hydroxyamide complexes","Organic & Biomolecular Chemistry","2009","7","20","4301","4308","10.1039/b911592g","","","0.71073","MoKα","","0.1258","0.0683","","","0.1676","0.2119","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150790","9.094","0.002","11.642","0.003","9.371","0.002","90","","91.37","0.004","90","","991.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0323","0.0295","","","0.0752","0.077","","","","","","1.064","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150807","5.2709","0.0012","16.736","0.004","12.148","0.003","90","","97.432","0.004","90","","1062.6","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H28 N4 O9 S -","- C16 H28 N4 O9 S -","- C32 H56 N8 O18 S2 -","2","1","","Christensen, Mikkel S.; Bond, Andrew D.; Nielsen, Poul","Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol","Organic & Biomolecular Chemistry","2008","6","1","81","91","10.1039/b713888a","","","0.71073","MoKα","","0.0564","0.0488","","","0.132","0.138","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150813","9.82","0.03","9.82","0.03","16.09","0.03","90","","101.08","0.16","90","","1523","7","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","'N-((1S, 3S)-2,2-dichloro-1,3-dimethylcyclopropanecarbonyl)- (1S)-1-phenylethylam","","","- C14 H17 Cl2 N O -","- C14 H17 Cl2 N O -","- C56 H68 Cl8 N4 O4 -","4","2","","Yasukochi, Hiroaki; Atago, Takayuki; Tanaka, Akihiro; Nakatsuji, Hidefumi; Yoshida, Eri; Kakehi, Akikazu; Nishii, Yoshinori; Tanabe, Yoo","Practical, general, and systematic method for optical resolution of gem-dihalo- and monohalocyclopropanecarboxylic acids utilizing chiral 1,1′-binaphtholmonomethyl ethers: Application to the synthesis of three chiral pesticides","Organic & Biomolecular Chemistry","2008","6","3","540","547","10.1039/b714614k","","","0.71069","MoKα","","","0.0601","","","","0.2149","","","","","","0.955","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150816","10.819","0.0004","5.371","0.0001","15.64","0.0005","90","","102.809","0.0016","90","","886.21","0.05","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0708","0.0603","","","0.1606","0.1765","","","","","","1.098","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150819","7.72","0.004","6.415","0.003","12.126","0.005","90","","96.616","0.011","90","","596.5","0.5","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6891","Synchrotron","","0.0603","0.0455","","","0.1179","0.12","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150824","7.9098","0.0008","16.815","0.0018","8.1247","0.0008","90","","91.953","0.007","90","","1079.98","0.19","150","","150","","","","","","","","Oscar Prieto reaction OP411","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C44 H56 N4 O10 S2 -","2","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.083","0.0569","","0.1155","0.1052","0.1155","","","","","","0.8677","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150827","11.949","0.002","9.313","0.001","15.289","0.003","90","","101.84","0.02","90","","1665.2","0.5","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetic acid 1R,8S,9R,11R,13R,20R-9-acetoxy-11,22-bis-(2,2,2- trifluoro-acetylamino)-2,7,14,19-tetraoxa- tricyclo(18.3.1.08,13)tetracos-24-yl ester","Acetic acid 1R,8S,9R,11R,13R,20R-9-acetoxy-11,22-bis-(2,2,2-trifluoro-acetylamino)- 2,7,14,19-tetraoxa-tricyclo[18.3.1.08,13]tetracos-24-yl ester","","- C28 H40 F6 N2 O10 -","- C28 H40 F6 N2 O10 -","- C56 H80 F12 N4 O20 -","2","1","","Oelze, Benjamin; Albert, Dieter; Kirschning, Andreas","Synthetic and structural studies on macrocyclic amino cyclitols ‒ conformational chameleons","Organic & Biomolecular Chemistry","2008","6","13","2412","2425","10.1039/b716347a","","","0.71073","MoKα","","0.1769","0.0447","","","0.0593","0.073","","","","","","0.588","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150828","11.4747","0.0013","6.7238","0.0007","15.8519","0.0019","90","","97.2644","0.0018","90","","1213.2","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 N4 O13 Os -","- C20 H22 N4 O13 Os -","- C40 H44 N8 O26 Os2 -","2","1","","Umemoto, Tadashi; Okamoto, Akimitsu","Synthesis and characterization of the 5-methyl-2′-deoxycytidine glycol‒dioxoosmium‒bipyridine ternary complex in DNA","Organic & Biomolecular Chemistry","2008","6","2","269","271","10.1039/b716400a","","","0.71073","MoKα","","0.0212","0.0176","","","0.045","0.0456","","","","","","1.013","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150841","12.595","0.003","6.1165","0.0012","18.862","0.004","90","","106.42","0.03","90","","1393.8","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H45 N O4 -","- C30 H45 N O4 -","- C60 H90 N2 O8 -","2","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71069","MoKα","","0.1077","0.0672","","","0.1642","0.1885","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150842","10.981","0.002","6.1913","0.0012","17.85","0.004","90","","90.37","0.03","90","","1213.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O3 -","- C28 H39 N O3 -","- C56 H78 N2 O6 -","2","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71069","MoKα","","0.0701","0.0536","","","0.1332","0.1531","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150870","7.5917","0.0005","17.728","0.0011","14.962","0.001","90","","98.148","0.006","90","","1993.3","0.2","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis2,6pyr-cyclen","","","- C23 H64 Cl7 N9 O6 -","- C23 H62 Cl7 N9 O6 -","- C46 H124 Cl14 N18 O12 -","2","1","","Delépine, Anne-Sophie; Tripier, Raphaël; Handel, Henri","Cyclen-based bismacrocycles for biological anion recognition. A potentiometric and NMR study of AMP, ADP and ATP nucleotide complexation","Organic & Biomolecular Chemistry","2008","6","10","1743","1750","10.1039/b719514a","","x-ray","0.71073","MoKα","","0.0639","0.0482","","","0.1238","0.1323","","","","","","1.015","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150880","9.5372","0.0005","11.0197","0.0006","16.2672","0.0009","90","","92.323","0.002","90","","1708.23","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H54 O7 Si -","- C33 H54 O7 Si -","- C66 H108 O14 Si2 -","2","1","","Pattenden, Gerald; Ashweek, Neil J.; Baker-Glenn, Charles A. G.; Kempson, James; Walker, Gary M.; Yee, James G. K.","Total synthesis of (−)-ulapualide A, a novel tris-oxazole macrolide from marine nudibranchs, based on some biosynthesis speculation","Organic & Biomolecular Chemistry","2008","6","8","1478","1497","10.1039/b801036f","","","0.71073","MoKα","","0.0323","0.0312","","","0.0865","0.0878","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150881","10.1826","0.0008","9.5473","0.0007","10.2926","0.0011","90","","103.133","0.003","90","","974.44","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O4 -","- C17 H27 N3 O4 -","- C34 H54 N6 O8 -","2","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","0.7107","MoKα","","0.0984","0.0642","","","0.1654","0.1908","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150882","10.185","0.0012","9.447","0.0007","10.571","0.002","90","","103.216","0.004","90","","990.2","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N4 O3 -","- C17 H32 N4 O3 -","- C34 H64 N8 O6 -","2","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","0.7107","MoKα","","0.0747","0.045","","","0.1102","0.125","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150894","13.1713","0.0003","7.0422","0.0001","14.1832","0.0003","90","","112.234","0.003","90","","1217.74","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O12 -","- C27 H20 N2 O12 -","- C54 H40 N4 O24 -","2","1","","Raffaelli, Barbara; Pohjoispää, Monika; Hase, Tapio; Cardin, Christine J.; Gan, Yu; Wähälä, Kristiina","Stereochemistry and rearrangement reactions of hydroxylignanolactones","Organic & Biomolecular Chemistry","2008","6","14","2619","2627","10.1039/b801593g","","","1.54184","Cukα","","0.0303","0.0292","","","0.0758","0.079","","","","","","1.037","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150896","9.624","0.0011","7.9566","0.0009","9.8099","0.0011","90","","118.093","0.001","90","","662.68","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C26 H28 N4 O10 -","2","1","","Angelici, Gaetano; Contaldi, Simone; Lynn Green, Sarah; Tomasini, Claudia","Synthesis of imidazolidin-2-one-4-carboxylate and of (tetrahydro)pyrimidin-2-one-5-carboxylate via an efficient modification of the Hofmann rearrangement","Organic & Biomolecular Chemistry","2008","6","10","1849","1852","10.1039/b801909f","","","0.71073","MoKα","","0.0391","0.032","","","0.0799","0.0837","","","","","","1.234","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150897","6.8203","0.0008","5.5939","0.0007","20.585","0.003","90","","97.914","0.003","90","","777.88","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O9 -","- C14 H22 O9 -","- C28 H44 O18 -","2","1","","Nieto, Natalia; Munslow, Ian J.; Barr, Jonathan; Benet-Buchholz, J.; Vidal-Ferran, Anton","Dioxirane mediated asymmetric epoxidations: stereochemical studies via isotopic labeling","Organic & Biomolecular Chemistry","2008","6","13","2276","2281","10.1039/b801922c","","","0.71073","MoKα","","0.0939","0.05","","","0.1052","0.1244","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150899","11.0409","0.0011","6.1566","0.0006","12.5748","0.0013","90","","90.669","0.002","90","","854.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C32 H36 N4 O14 -","2","1","","Alcaide, Benito; Almendros, Pedro; Luna, Amparo; Torres, M. Rosario","Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media","Organic & Biomolecular Chemistry","2008","6","9","1635","1640","10.1039/b802011f","","","0.71073","MoKα","","0.0919","0.041","","","0.0864","0.1024","","","","","","0.913","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150934","10.8722","0.001","5.6676","0.0005","12.916","0.0012","90","","106.839","0.001","90","","761.75","0.12","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","diols","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Pandey, Ganesh; Bharadwaj, Kishor Chandra; Khan, M. Islam; Shashidhara, K. S.; Puranik, Vedavati G.","Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase","Organic & Biomolecular Chemistry","2008","6","14","2587","2595","10.1039/b804278k","","","0.71073","MoKα","","0.0532","0.0482","","","0.1185","0.1252","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150935","10.9255","0.0006","5.6715","0.0003","12.9037","0.0008","90","","107.143","0.001","90","","764.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","diols","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Pandey, Ganesh; Bharadwaj, Kishor Chandra; Khan, M. Islam; Shashidhara, K. S.; Puranik, Vedavati G.","Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase","Organic & Biomolecular Chemistry","2008","6","14","2587","2595","10.1039/b804278k","","","0.71073","MoKα","","0.0607","0.0565","","","0.1142","0.1156","","","","","","1.175","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150957","7.2451","0.0007","7.3525","0.0007","9.3666","0.0009","90","","93.255","0.002","90","","498.15","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Combining multi-catalysis and multi-component systems for the development of one-pot asymmetric reactions: stereoselective synthesis of highly functionalized bicyclo[4.4.0]decane-1,6-diones","Organic & Biomolecular Chemistry","2008","6","14","2488","2492","10.1039/b806243a","","","0.71073","MoKα","","0.0429","0.0394","","","0.0988","0.1017","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150973","9.319","0.003","6.15","0.0017","15.347","0.004","90","","90.088","0.005","90","","879.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C46 H42 N2 O4 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.0663","0.0518","","","0.1093","0.1198","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150974","10.9057","0.0009","6.1084","0.0005","14.6448","0.0012","90","","102.431","0.001","90","","952.71","0.14","135","2","135","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C46 H54 N2 O4 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.0559","0.0453","","","0.1058","0.1123","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150983","8.5309","0.0004","11.6667","0.0006","20.2195","0.0011","90","","100.9","0.004","90","","1976.09","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C84 H100 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.036","0.0326","","","0.0809","0.0835","","","","","","1.011","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150986","9.6771","0.0012","8.3153","0.0012","12.6634","0.0017","90","","103.075","0.007","90","","992.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","0.71069","MoKα","","0.0469","0.043","","","0.0917","0.095","","","","","","1.149","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150997","6.088","0.0012","14.543","0.003","9.779","0.002","90","","90.63","0.03","90","","865.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O -","- C20 H21 Cl N2 O -","- C40 H42 Cl2 N4 O2 -","2","1","","Kang, Tai-Ran; Xie, Jian-Wu; Du, Wei; Feng, Xin; Chen, Ying-Chun","Stereoselective desymmetrisation of prochiral α,α-dicyanoalkenes via domino Michael‒Michael addition reactions","Organic & Biomolecular Chemistry","2008","6","15","2673","2675","10.1039/b809308c","","","0.71073","MoKα","","0.0332","0.0294","","","0.0737","0.0753","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151003","13.076","0.004","4.98","0.002","21.362","0.011","90","","103.18","0.03","90","","1354.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C60 H66 N6 O12 -","6","3","","Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.","Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates","Organic & Biomolecular Chemistry","2008","6","21","3957","3966","10.1039/b810235j","","","1.54178","CuKα","","0.0752","0.0741","","","0.2037","0.2061","","","","","","1.033","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151023","13.123","0.0009","7.1019","0.0005","14.4491","0.001","90","","90.077","0.004","90","","1346.63","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","13-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)-5,12,13- triazaindeno[1,2-b]anthracene","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.1021","0.0441","","","0.0808","0.0966","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151031","11.0147","0.0003","10.932","0.0003","14.7938","0.0004","90","","97.4949","0.0015","90","","1766.14","0.08","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O6 S -","- C37 H41 N O6 S -","- C74 H82 N2 O12 S2 -","2","1","","Shibata, Takanori; Otomo, Mayumi; Tahara, Yu-ki; Endo, Kohei","Highly diastereo- and enantioselective construction of both central and axial chiralities by Rh-catalyzed [2 + 2 + 2] cycloaddition","Organic & Biomolecular Chemistry","2008","6","23","4296","4298","10.1039/b814014f","","","1.54187","CuKα","","","0.0432","","","","0.1059","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151043","5.1589","0.0002","10.5387","0.0005","7.4162","0.0004","90","","93.901","0.003","90","","402.27","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl N4 O -","- C5 H11 Cl N4 O -","- C10 H22 Cl2 N8 O2 -","2","1","","Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason","Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","239","248","10.1039/b613384n","","x-ray","0.71073","MoKα","","0.0502","0.0372","","","0.0657","0.0692","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151050","9.576","0.002","20.504","0.005","10.143","0.003","90","","112.421","0.011","90","","1841","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5R,6S)-N-(2',3',4'-Tri-O-pivaloyl-a-d-arabinopyranosyl)-5,6-diallyl- 2-isopropyl-piperidin-4-one","","- C34 H55 N O8 -","- C34 H55 N O8 -","- C68 H110 N2 O16 -","2","1","","Kranke, Birgit; Kunz, Horst","Stereoselective syntheses of piperidinones and their modification by organometallic coupling reactions.","Organic & biomolecular chemistry","2007","5","2","349","354","10.1039/b615113b","","","1.54178","CuKα","","0.0604","0.0562","","","0.1633","0.1696","","","","","","1.029","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151081","4.7637","0.0011","10.695","0.003","14.616","0.004","90","","96.579","0.005","90","","739.7","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F5 N O2 -","- C16 H12 F5 N O2 -","- C32 H24 F10 N2 O4 -","2","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0723","0.0463","","","0.1058","0.1181","","","","","","0.917","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151119","8.2824","0.0006","13.7389","0.001","12.711","0.001","90","","91.284","0.001","90","","1446.04","0.19","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H46 O7 Si -","- C29 H46 O7 Si -","- C58 H92 O14 Si2 -","2","1","","Ahmad, Nadia M.; Rodeschini, Vincent; Simpkins, Nigel S.; Ward, Simon E.; Wilson, Claire","Synthetic studies towards garsubellin A: synthesis of model systems and potential mimics by regioselective lithiation of bicyclo[3.3.1]nonane-2,4,9-trione derivatives from catechinic acid.","Organic & biomolecular chemistry","2007","5","12","1924","1934","10.1039/b704311b","","","0.71073","MoKα","","0.039","0.0376","","","0.0991","0.1004","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151122","9.3443","0.0003","9.8498","0.0003","15.9297","0.0006","90","","103.866","0.0015","90","","1423.43","0.08","190","","190","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C30 H37 N3 O5 -","- C30 H37 N3 O5 -","- C60 H74 N6 O10 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J.","Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates.","Organic & biomolecular chemistry","2007","5","13","2138","2147","10.1039/b704475e","","","0.71073","MoKα","","0.0651","0.0518","","0.0633","0.0566","0.0566","","","","","","1.0935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151128","9.5595","0.0002","17.1047","0.0005","13.6097","0.0003","90","","98.2945","0.0016","90","","2202.08","0.09","190","","190","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","2","","Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Smith, Andrew D.; Rodriguez-Solla, Humberto; Thomson, James E.; Toms, Steven M.","Asymmetric synthesis of 3,4-anti- and 3,4-syn-substituted aminopyrrolidines via lithium amide conjugate addition.","Organic & biomolecular chemistry","2007","5","12","1961","1969","10.1039/b704932c","","","0.71073","MoKα","","0.0583","0.0469","","0.0748","0.058","0.058","","","","","","1.0904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151136","11.3312","0.0012","11.4371","0.0012","14.5628","0.0016","90","","111.863","0.002","90","","1751.5","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","6,19-cyclopregn-4-ene-3,20-dione","6,19-cyclopregn-4-ene-3,20-dione","","- C21 H28 O2 -","- C21 H28 O2 -","- C84 H112 O8 -","4","2","","Di Chenna, Pablo H.; Veleiro, Adriana S.; Sonego, Juan M.; Ceballos, Nora R.; Garland, M. Teresa; Baggio, Ricardo F.; Burton, Gerardo","Synthesis of 6,19-cyclopregnanes. Constrained analogues of steroid hormones.","Organic & biomolecular chemistry","2007","5","15","2453","2457","10.1039/b706828j","","","0.71073","MoKα","","0.0852","0.057","","","0.0832","0.0901","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151144","14.118","0.0003","6.1198","0.0002","14.4072","0.0004","90","","108.441","0.0011","90","","1180.85","0.06","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N2 O3 -","- C26 H34 N2 O3 -","- C52 H68 N4 O6 -","2","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.036","0.0335","","0.037","0.0354","0.0354","","","","","","1.1739","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151154","11.019","0.0004","7.6264","0.0003","12.1306","0.0005","90","","91.3965","0.0017","90","","1019.1","0.07","200","","200","","","","","","","","?","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C50 H48 O8 -","2","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0353","0.0353","","0.0391","0.0391","0.0391","","","","","","1.0875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151155","7.3431","0.0003","6.158","0.0003","14.2504","0.0006","90","","90.828","0.001","90","","644.32","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl2 N O2 -","- C11 H15 Cl2 N O2 -","- C22 H30 Cl4 N2 O4 -","2","1","","Spiess, Stephanie; Berthold, Carola; Weihofen, Robert; Helmchen, Günter","Synthesis of alpha,beta-unsaturated gamma-lactams via asymmetric iridium-catalysed allylic substitution.","Organic & biomolecular chemistry","2007","5","15","2357","2360","10.1039/b708571k","","","0.71073","MoKα","","0.0677","0.0456","","","0.087","0.0957","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151164","9.243","0.005","5.497","0.003","12.258","0.007","90","","95.177","0.009","90","","620.3","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.1055","0.0664","","","0.1539","0.1731","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151166","8.587","0.003","5.2659","0.0018","19.647","0.007","90","","95.641","0.006","90","","884.1","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O3 S -","- C16 H22 Br N O3 S -","- C32 H44 Br2 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.0577","0.0433","","","0.0914","0.0971","","","","","","0.976","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151167","5.249","0.003","5.794","0.003","20.357","0.012","90","","94.212","0.01","90","","617.4","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.075","0.0568","","","0.13","0.1356","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151172","4.554","0.002","18.386","0.004","9.912","0.007","90","","102.57","0.02","90","","810","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O6 Se -","- C14 H18 N2 O6 Se -","- C28 H36 N4 O12 Se2 -","2","1","","Kuzma, Dusan; Parvez, Masood; Back, Thomas George","Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.","Organic & biomolecular chemistry","2007","5","19","3213","3217","10.1039/b710685h","","","0.71073","MoKα","","0.12","0.075","","","0.137","0.159","","","","","","1.21","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151173","12.3636","0.001","5.2242","0.0004","13.3704","0.0011","90","","97.482","0.002","90","","856.24","0.12","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C42 H48 N4 O2 -","2","1","","Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu","Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.","Organic & biomolecular chemistry","2007","5","23","3834","3841","10.1039/b710780c","","","0.7107","MoKα","","","0.051","","","","0.102","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151183","11.501","0.003","6.2268","0.0017","19.785","0.006","90","","91.192","0.005","90","","1416.6","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2S,3S,4S)-1-(Toluene-4-sulfonyl)-4-hydroxy-2,3-(oxazin-2- one)-pyrrolidine","(2S,3S,4S)-1-(Toluene-4-sulfonyl)-4-hydroxy-2,3-(oxazin-2-one)-pyrrolidine","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C52 H64 N8 O20 S4 -","4","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.149","0.1123","","","0.2547","0.2799","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151185","7.539","0.004","17.643","0.009","11.223","0.005","90","","100.446","0.008","90","","1468","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4- hydroxypyrrolidine","(2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4-hydroxypyrrolidine","","- C12 H16 N4 O4 S -","- C12 H16 N4 O4 S -","- C48 H64 N16 O16 S4 -","4","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.1458","0.0797","","","0.1331","0.1542","","","","","","0.961","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151188","7.7573","0.0006","6.5351","0.0005","20.5605","0.0015","90","","93.341","0.002","90","","1040.54","0.14","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S)-3-phenyl-2-((2S)-1-((1S)-1-phenylethyl)piperidin-2- yl)propionate","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","","Hermet, Jean-Paul R; Viterisi, Aurélien; Wright, Jonathan M.; McGrath, Matthew J.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Stereocontrolled synthesis and alkylation of cyclic beta-amino esters: asymmetric synthesis of a (-)-sparteine surrogate.","Organic & biomolecular chemistry","2007","5","22","3614","3622","10.1039/b712503h","","","0.71073","MoKα","","0.0431","0.0373","","","0.0846","0.0889","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151216","7.984","0.005","24.878","0.005","12.52","0.005","90","0.005","98.498","0.005","90","0.005","2459.5","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl2 I2 N2 O2 -","- C23 H20 Cl2 I2 N2 O2 -","- C92 H80 Cl8 I8 N8 O8 -","4","2","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71069","MoKα","","0.0411","0.0397","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151221","14.371","0.002","9.5023","0.001","21.501","0.003","90","","103.55","0.05","90","","2854.4","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H88 N2 O10 Si -","- C50 H88 N2 O10 Si -","- C100 H176 N4 O20 Si2 -","2","1","","Bauder, Claude; Biard, Jean-François; Solladié, Guy","Synthesis of derivatives of potent antitumor bistramides D and A leading to the first crystal structure of natural bistramide D.","Organic & biomolecular chemistry","2006","4","10","1860","1862","10.1039/b603767d","","","0.71073","MoKα","","0.1821","0.0812","","","0.1648","0.2129","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151226","8.9131","0.0009","5.0982","0.0005","18.2642","0.0017","90","","102.311","0.002","90","","810.85","0.14","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-iodophenyl carbamate of 4-phenylbut-3-ene-2-ol","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C34 H32 I2 N2 O4 -","2","1","","Clarkson, Guy; Livingston, Andrew G.; Muir, Jennifer C.; Taylor, Paul C.","The absolute configuration of (+)-(E)-4-phenylbut-3-ene-2-ol.","Organic & biomolecular chemistry","2006","4","11","2081","","10.1039/b603934k","","","0.71073","MoKα","","0.0645","0.0524","","","0.1195","0.1258","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151235","8.3002","0.0002","33.6715","0.0004","10.531","0.0002","90","","90.6345","0.0005","90","","2943.03","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O6 -","- C33 H37 N O6 -","- C132 H148 N4 O24 -","4","2","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","0.0753","0.0521","","0.0561","0.0531","0.0531","","","","","","1.0425","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151236","8.8317","0.0005","10.1281","0.0005","12.024","0.0007","90","","103.017","0.002","90","","1047.89","0.1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O7 -","- C21 H25 N O7 -","- C42 H50 N2 O14 -","2","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","","0.0331","","","","0.0365","","","","","","1.0672","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151237","13.8821","0.0003","4.5502","0.0002","14.6589","0.0004","90","","109.809","0.0017","90","","871.16","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 S -","- C16 H18 N2 O7 S -","- C32 H36 N4 O14 S2 -","2","1","","Pedras, M Soledade C; Hossain, Mohammad","Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation.","Organic & biomolecular chemistry","2006","4","13","2581","2590","10.1039/b604400j","","","0.71073","MoKα","","0.0559","0.0471","","","0.1037","0.109","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151245","6.9391","0.0002","8.0963","0.0003","15.5077","0.0005","90","","101.182","0.003","90","","854.7","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0612","0.0511","","0.0674","0.0612","0.0612","","","","","","0.9657","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151247","6.5167","0.0001","7.9303","0.0002","15.8324","0.0004","90","","92.8893","0.0009","90","","817.17","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0348","0.0308","","0.0384","0.0328","0.0328","","","","","","1.1366","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151248","10.559","0.002","9.6567","0.0019","11.052","0.002","90","","112.47","0.03","90","","1041.4","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C50 H52 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0507","0.0373","","","0.0836","0.0897","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151249","5.8566","0.0004","22.8548","0.0018","9.1424","0.0007","90","","92.913","0.006","90","","1222.14","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0842","0.05","","","0.0957","0.1075","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151255","9.8736","0.0013","6.0745","0.0008","11.7121","0.0016","90","","111.941","0.002","90","","651.58","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0365","0.035","","","0.0783","0.0792","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151260","11.2621","0.0011","5.2062","0.0005","14.3092","0.0014","90","","109.094","0.005","90","","792.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O -","- C17 H25 N O -","- C34 H50 N2 O2 -","2","1","","Cooksey, John P.; Kocienski, Philip J.; Li, Ying-fa; Schunk, Stefan; Snaddon, Thomas N.","Synthesis of the C1-C16 fragment of ionomycin using a neutral (eta3-allyl)iron complex.","Organic & biomolecular chemistry","2006","4","17","3325","3336","10.1039/b606262h","","","0.71073","MoKα","","0.0338","0.0319","","","0.0797","0.0818","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151262","10.634","0.0003","12.144","0.0004","15.956","0.0008","90","","108.102","0.0014","90","","1958.56","0.13","293","2","293","2","","","","","","","synthesised by authors","5","P 1 21 1","P 2yb","4","((1S)-1-(N'-(4-Bromo-benzyl)-N'-((2S)-2-((1S)-2,2-dimethyl-1- methylcarbamoyl-propylcarbamoyl)-2-hydroxy-3-phenyl-propyl) - hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester ethanol solvate","","","- C34 H52 Br N5 O7 -","- C34 H52 Br N5 O7 -","- C68 H104 Br2 N10 O14 -","2","1","","Ekegren, Jenny K.; Gising, Johan; Wallberg, Hans; Larhed, Mats; Samuelsson, Bertil; Hallberg, Anders","Variations of the P2 group in HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.","Organic & biomolecular chemistry","2006","4","16","3040","3043","10.1039/b606859f","","","0.71073","MoKα","","0.1755","0.083","","","0.1804","0.2307","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151272","14.2234","0.0007","8.9069","0.0005","21.5226","0.0013","90","","90.89","0.002","90","","2726.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 F6 N3 O2 -","- C26 H33 F6 N3 O2 -","- C104 H132 F24 N12 O8 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.212","0.0753","","","0.1107","0.1431","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151275","10.5778","0.0009","18.5187","0.0016","11.1532","0.0013","90","","100.724","0.003","90","","2146.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 F6 N3 O -","- C20 H21 F6 N3 O -","- C80 H84 F24 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.153","0.0629","","","0.1156","0.1434","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151276","8.1767","0.0006","22.874","0.002","10.1933","0.0006","90","","108.158","0.003","90","","1811.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N10 O12 -","- C31 H46 N10 O12 -","- C62 H92 N20 O24 -","2","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0883","0.059","","","0.1565","0.1739","","","","","","0.977","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151279","8.7335","0.0002","22.165","0.0006","9.9252","0.0003","90","","101.774","0.001","90","","1880.88","0.09","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0626","0.0391","","","0.0821","0.0908","","","","","","0.956","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151282","8.121","","9.299","","12.532","","90","","91.21","","90","","946.17","","9","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.26 N3 O7.63 -","- C15 H26.2688 N3 O7.6344 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.5","synchrotron","","0.0351","0.0293","","","","0.0208","","","","","","2.0596","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151283","8.845","","9.0567","","12.3638","","90","","94.563","","90","","987.282","","20","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.71073","MoKα","","0.0264","0.0223","","","","0.0177","","","","","","1.6277","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151287","6.642","0.001","7.761","0.001","11.984","0.005","90","","105.13","0.03","90","","596.3","0.3","198","2","198","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","3-bromo-2-methoxy-6-methyl-9H-carbazole","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C28 H24 Br2 N2 O2 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0269","0.022","","","0.044","0.0453","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151300","11.7081","0.0008","10.0539","0.0007","13.8008","0.001","90","","97.039","0.002","90","","1612.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 I N O5 -","- C34 H40 I N O5 -","- C68 H80 I2 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0338","0.0286","","","0.0649","0.0675","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151301","9.4857","0.001","9.8441","0.001","13.0354","0.0014","90","","100.138","0.002","90","","1198.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-dimethyl-4-(S)-spiro[4H-1-benzopyran-4R,4'-(3'H)-[1H-2] benzopyran-3(S)-yl]oxazolidinine-3-carboxylic acod tert butyl carbamate","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0574","0.0376","","","0.0678","0.0739","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151313","7.6834","0.001","10.5554","0.0014","16.299","0.002","90","","93.517","0.002","90","","1319.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl2 N2 O3 -","- C31 H30 Cl2 N2 O3 -","- C62 H60 Cl4 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0343","0.0309","","","0.0745","0.0766","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151314","10.3383","0.0014","9.6773","0.0013","14.613","0.002","90","","108.054","0.002","90","","1390","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.058","0.0386","","","0.0851","0.0935","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151317","9.1809","0.0018","6.4336","0.0012","11.416","0.002","90","","108.32","0.004","90","","640.1","0.2","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O -","- C14 H22 O -","- C28 H44 O2 -","2","1","","Chang, Wen-Sheng; Shia, Kak-Shan; Liu, Hsing-Jang; Wei Ly, Tai","The first total synthesis of xenitorins B and C: assignment of absolute configuration.","Organic & biomolecular chemistry","2006","4","20","3751","3753","10.1039/b610427d","","","0.71073","MoKα","","0.0759","0.0436","","","0.0947","0.1042","","","","","","0.841","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151321","14.322","0.004","8.975","0.002","17.157","0.004","90","","97.742","0.005","90","","2185.3","0.9","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H48 Cl N3 O5 -","- C53 H48 Cl N3 O5 -","- C106 H96 Cl2 N6 O10 -","2","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.1015","0.0571","","","0.1314","0.1637","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151325","10.6783","0.0003","8.1891","0.0002","11.1365","0.0003","90","","98.9319","0.0017","90","","962.03","0.04","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C36 H50 N2 O12 S2 -","2","1","","Moloney, Mark G.; Panchal, Terry; Pike, Richard","trans-2,5-Disubstituted pyrrolidines: Rapid stereocontrolled access from sulfones.","Organic & biomolecular chemistry","2006","4","21","3894","3897","10.1039/b611583g","","","0.71073","MoKα","","0.0522","0.0334","","0.0553","0.034","0.034","","","","","","1.1154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151326","7.6916","0.0003","11.7602","0.0005","8.2773","0.0004","90","","95.392","0.003","90","","745.41","0.06","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Smith, Timothy R.; Clark, Andrew J.; Clarkson, Guy J.; Taylor, Paul C.; Marsh, Andrew","Concise enantioselective synthesis of abscisic acid and a new analogue","Organic & Biomolecular Chemistry","2006","4","22","4186","","10.1039/b611880a","","","1.54178","CuKα","","0.0387","0.0348","","","0.0846","0.0879","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151369","9.1016","0.0009","9.3289","0.0007","11.1653","0.0012","90","","96.651","0.013","90","","941.64","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C48 H48 N4 O2 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0351","0.0278","","","0.0639","0.0664","","","","","","0.949","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151370","10.8641","0.0016","6.36","0.0008","13.0544","0.0017","90","","90.312","0.01","90","","902","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.085","0.0494","","","0.0967","0.1118","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151371","6.6825","0.0005","7.4085","0.0004","23.4403","0.0018","90","","94.08","0.01","90","","1157.53","0.14","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl3 N2 O -","- C25 H25 Cl3 N2 O -","- C50 H50 Cl6 N4 O2 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0403","0.0299","","","0.0657","0.0684","","","","","","0.923","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151413","9.321","0.002","7.996","0.002","11.132","0.002","90","","106.32","0.03","90","","796.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","1-OXO-4B,6B-DIYL-S(R)-CYCLIC SULPHITE","1-OXO-4B,6B-DIYL-S(R)-CYCLIC SULPHITE","","- C15 H24 O4 S -","- C15 H24 O4 S -","- C30 H48 O8 S2 -","2","1","","Andrés García-Granados; María C. Gutiérrez; Francisco Rivas","Improved microbiological hydroxylation of sesquiterpenoids: semisynthesis, structural determination and biotransformation studies of cyclic sulfite eudesmane derivatives","Org. Biomol. Chem.","2003","1","13","2314","2320","10.1039/b301577g","","","0.71073","MoKα","","0.105","0.0672","","","0.1455","0.173","","","","","","1.167","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151431","8.375","0.001","7.653","0.001","9.691","0.001","90","","100.634","0.001","90","","610.47","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3aS,11bS,11cR)-3a,4,5,11c-Tetrahydro-10b-hydroxy-furo-(3',2':3,4) pyrido(2,1-a)isoindol-2(1H),7(11bH)-dione","(3aS,11bS,11cR)-3a,4,5,11c-Tetrahydro-10b-hydroxy-furo-[3',2' :3,4] pyrido[2,1-a]isoindol-2(1H),7(11bH)-dione","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Hunter, Roger; Richards, Philip","Stereoselective tetrapyrido[2,1-a]isoindolone synthesis via carbanionic and radical intermediates: a model study for the Tacaman alkaloid D/E ring fusionElectronic supplementary information (ESI) available: Experimental details for compounds 21?23. See http://www.rsc.org/suppdata/ob/b3/b303031h/","Organic & Biomolecular Chemistry","2003","1","13","2348","","10.1039/b303031h","","","0.71073","MoKα","","0.0338","0.0291","","","0.0675","0.0701","","","","","","1.032","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151438","9.2515","0.0001","28.6084","0.0004","9.4481","0.0001","90","","99.928","0.0006","90","","2463.19","0.05","150","","150","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","2","","Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin","Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology","Org. Biomol. Chem.","2003","1","14","2531","2542","10.1039/b303348a","","","0.71073","MoKα","","0.0657","0.0657","","0.1407","0.1407","0.1407","","","","","","0.9234","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151439","10.4793","0.0002","10.531","0.0003","12.038","0.0004","90","","96.237","0.001","90","","1320.62","0.06","190","","190","","","","","","","","?","4","P 1 21 1","P 2yb","4","","(1S,3R,6S)-4,7-bis(4-methoxybenzyl)-6-isopropyl-1-phenyl-4,7-diaza- spiro[2.5]octane-5,8-dione","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C62 H68 N4 O8 -","2","1","","Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin","Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology","Org. Biomol. Chem.","2003","1","14","2531","2542","10.1039/b303348a","","","0.71073","MoKα","","","0.0507","","","","0.0496","","","","","","1.0366","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151444","9.654","0.001","6.026","0.002","13.044","0.002","90","","107.09","0.01","90","","725.3","0.3","130","0.2","130","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 Cl3 O2 -","- C12 H19 Cl3 O2 -","- C24 H38 Cl6 O4 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0382","0.0371","","","0.0966","0.0988","","","","","","0.846","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151464","9.8259","0.0003","4.7316","0.0001","14.5466","0.0004","90","","103.726","0.001","90","","656.99","0.03","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 Te2 -","- C12 H16 Te2 -","- C24 H32 Te4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0444","0.0335","","","0.079","0.0853","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151487","5.2341","0.0002","12.3751","0.0005","14.2381","0.0007","90","","97.688","0.001","90","","913.95","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O7 S -","- C16 H24 O7 S -","- C32 H48 O14 S2 -","2","1","","Karisalmi, Kaisa; Rissanen, Kari; Koskinen, Ari M. P.","An enantioselective synthesis of the C(33)?C(37) fragment of Amphotericin BElectronic supplementary information (ESI) available: Tables S1?S5: crystal data and structure refinement, atomic coordinates and equivalent isotropic displacement parameters, bond lengths and angles, anisotropic displacement parameters and torsion angles for compound 7b. See http://www.rsc.org/suppdata/ob/b3/b305845j/","Organic & Biomolecular Chemistry","2003","1","18","3193","","10.1039/b305845j","","","0.71073","MoKα","","0.0583","0.0435","","","0.103","0.1099","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151503","8.4698","0.0002","6.4952","0.0002","20.0695","0.0004","90","","94.0089","0.0006","90","","1101.38","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 Si -","- C22 H32 O4 Si -","- C44 H64 O8 Si2 -","2","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0319","","","","0.0373","","","","","","1.0489","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151509","10.747","0.0003","8.3113","0.0002","13.5613","0.0004","90","","100.432","0.0012","90","","1191.29","0.06","200","","200","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O11 S2 -","- C20 H24 O11 S2 -","- C40 H48 O22 S4 -","2","1","","Hollowood, Christopher J.; Ley, Steven V.","Reductive decomplexation of ?-allyltricarbonyliron lactone complexes using sodium naphthalenide as a route to stereodefined 1,7-diols and 2,3-diene-1,7-diols","Organic & Biomolecular Chemistry","2003","1","18","3197","","10.1039/b306861g","","","0.71073","MoKα","","","0.0417","","","","0.0465","","","","","","1.0631","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151516","14.905","0.008","17.292","0.003","9.515","0.002","90","","93.09","0.02","90","","2448.8","1.5","160","2","160","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 O5.5 S2 -","- C24 H33 N2 O5.5 S2 -","- C96 H132 N8 O22 S8 -","4","2","","Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael","Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/","Organic & Biomolecular Chemistry","2003","1","22","4058","","10.1039/b306963j","","x-ray","0.71073","MoKα","","0.0948","0.0461","","","0.0987","0.1129","","","","","","1.038","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7151519","10.747","0.0003","8.3113","0.0002","13.5613","0.0004","90","","100.432","0.0012","90","","1191.29","0.06","200","","200","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O11 S2 -","- C20 H24 O11 S2 -","- C40 H48 O22 S4 -","2","1","","Gamblin, David P.; Garnier, Philippe; Ward, Sarah J.; Oldham, Neil J.; Fairbanks, Antony J.; Davis, Benjamin G.","Glycosyl phenylthiosulfonates (Glyco-PTS): novel reagents for glycoprotein synthesisThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.Electronic supplementary information (ESI) available: experimental procedures, characterization, protein ESI-MS spectra and crystal data. See http://www.rsc.org/suppdata/ob/b3/b306990g/","Organic & Biomolecular Chemistry","2003","1","21","3642","","10.1039/b306990g","","","0.71073","MoKα","","","0.0417","","","","0.0465","","","","","","1.0631","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151546","11.0169","0.0008","7.8226","0.0005","13.1321","0.0009","90","","102.329","0.001","90","","1105.63","0.13","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,5-DIFERROCEN-1-YL-HEPTAN-3-ONE","","- C27 H30 Fe2 O -","- C27 H30 Fe2 O -","- C54 H60 Fe4 O2 -","2","1","","Elena I. Klimova; Tatiana Klimova Berestneva; Arnaldo Cinquantini; Maddalena Corsini; Piero Zanello; Ruben A. Toscano; Simón Hernández-Ortega; Marcos Martínez García","3,3-Diethyl- and 3,3-dibenzyl-1,2-diferrocenylcyclopropenes","Org. Biomol. Chem.","2003","1","24","4458","4464","10.1039/b307408k","","","0.71073","MoKα","","0.0511","0.039","","","0.0749","0.0784","","","","","","0.968","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151559","12.2184","0.0006","6.3844","0.0003","14.8429","0.0009","90","","108.081","0.002","90","","1100.68","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N2 O5 -","- C18 H23 Cl3 N2 O5 -","- C36 H46 Cl6 N4 O10 -","2","1","","Ley, Steven V.; Cleator, Ed; Hewitt, Peter R.","A rapid stereocontrolled synthesis of the 3a-hydroxy-pyrrolo[2,3-b]indole skeleton, a building block for 10b-hydroxy-pyrazino[1?,2?:1,5]pyrrolo[2,3-b]indole-1,4-diones","Organic & Biomolecular Chemistry","2003","1","20","3492","","10.1039/b308288a","","","0.71073","MoKα","","0.0705","0.0577","","","0.156","0.1757","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151563","12.334","0.003","12.813","0.003","14.026","0.003","90","","91.62","0.03","90","","2215.7","0.9","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C92 H120 O28 -","4","2","","Lee, Ai-Lan; Ley, Steven V.","The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers","Organic & Biomolecular Chemistry","2003","1","22","3957","","10.1039/b308761a","","","0.71073","MoKα","","0.0931","0.0704","","","0.1715","0.1906","","","","","","1.064","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151572","6.444","0.001","11.612","0.002","12.764","0.002","90","","98","0.01","90","","945.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N-benzylamino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0358","0.0344","","","0.0932","0.0948","","","","","","1.064","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151573","6.282","0.001","19.484","0.004","10.205","0.002","90","","90.22","0.01","90","","1249.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C28 H31 N O5 -","- C28 H31 N O5 -","- C56 H62 N2 O10 -","2","1","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0329","0.0311","","","0.0773","0.0785","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151574","10.073","0.001","19.17","0.001","13.434","0.001","90","","105.6","0.01","90","","2498.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-β-D-glucopyranoside","","- C28 H31 N O5 -","- C28 H31 N O5 -","- C112 H124 N4 O20 -","4","2","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0566","0.0422","","","0.0839","0.0918","","","","","","1.069","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151577","6.9444","0.0011","6.4862","0.001","9.16","0.002","90","","99.437","0.014","90","","407.01","0.13","","","110","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine- 5-carboxylic acid ((S)-(-)-5-HPCA)","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]- pyridine-5-carboxylic acid [(S)-(-)-5-HPCA]","","- C7 H10 N2 O5 -","- C7 H10 N2 O5 -","- C14 H20 N4 O10 -","2","1","","Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl","A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.","Organic & biomolecular chemistry","2004","2","2","206","213","10.1039/b310450h","","","1.5418","CuKα","","0.0219","0.0207","","0.0305","0.0287","0.0287","","","","","","1.0663","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151597","6.521","0.001","8.187","0.001","17.336","0.002","90","","92.72","0.01","90","","924.5","0.2","293","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O3 -","- C17 H27 Cl2 N O3 -","- C34 H54 Cl4 N2 O6 -","2","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0337","0.031","","","0.0863","0.0888","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151606","12.626","0.001","14.332","0.002","20.971","0.002","90","","95.257","0.002","90","","3778.9","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(Di-tert-butyl-hydroxy-silanyloxy)-2-methyl-5-oxo-2,5-dihydro-furan- -2-carboxylic acid ethyl ester","","- C16 H28 O6 Si -","- C16 H28 O6 Si -","- C128 H224 O48 Si8 -","8","4","","Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker","Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.","Organic & biomolecular chemistry","2004","2","7","1077","1085","10.1039/b316092k","","","0.71073","MoKα","","","0.055","","","","0.065","","","","","","1.45","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151608","9.811","0.007","13.067","0.006","11.121","0.005","90","","104.99","0.04","90","","1377.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 F N O4 Si -","- C27 H36 F N O4 Si -","- C54 H72 F2 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","","1.5418","CuKα","","0.0744","0.0635","","0.1749","0.1634","","","","1.061","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151610","9.055","0.0009","4.8997","0.0006","18.0554","0.0019","90","","100.842","0.003","90","","786.76","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 Se -","- C19 H19 N O2 Se -","- C38 H38 N2 O4 Se2 -","2","1","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0319","0.0319","","","0.0914","0.0914","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151613","9.767","0.005","13.052","0.004","11.178","0.004","90","","105.26","0.03","90","","1374.7","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 D3 N O4 Si -","- C27 H37 N O4 Si -","- C54 H74 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.","Organic & biomolecular chemistry","2004","2","9","1310","1314","10.1039/b401646g","","","1.5418","CuKα","","0.0595","0.0479","","0.1277","0.1173","","","","1.047","1.058","1.058","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151619","8.3987","0.0006","5.7449","0.0004","15.9653","0.0012","90","","90.774","0.001","90","","770.25","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamamoto, Yoshihiko; Kinpara, Keisuke; Saigoku, Tomoaki; Nishiyama, Hisao; Itoh, Kenji","Synthesis of benzo-fused lactams and lactones via Ru(II)-catalyzed cycloaddition of amide- and ester-tethered alpha,omega-diynes with terminal alkynes: electronic directing effect of internal conjugated carbonyl group.","Organic & biomolecular chemistry","2004","2","9","1287","1294","10.1039/b402649g","","","0.71073","MoKα","","0.0506","0.0493","","","0.1318","0.1349","","","","","","0.719","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151630","8.565","0.004","12.029","0.006","16.76","0.008","90","","91.239","0.01","90","","1726.4","1.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl3 N3 Ni O5 -","- C33 H36 Cl3 N3 Ni O5 -","- C66 H72 Cl6 N6 Ni2 O10 -","2","1","","Luo, Xiaoyan; Jin, Zhichao; Li, Pengfei; Gao, Jiabin; Yue, Weimin; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition of α,β-unsaturated aldehydes to Ni(II) complexes of the Schiff base of glycine.","Organic & biomolecular chemistry","2011","9","3","793","801","10.1039/C0OB00221F","","","0.71073","MoKα","","0.1231","0.0793","","","0.2011","0.2399","","","","","","1.016","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151631","7.529","0.002","13.009","0.004","23.237","0.008","90","","90.36","0.006","90","","2275.9","1.2","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br2 N2 O3 P -","- C19 H23 Br2 N2 O3 P -","- C76 H92 Br8 N8 O12 P4 -","4","2","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1626","0.1516","","","0.3528","0.3628","","","","","","1.131","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151634","5.1216","0.0003","10.4652","0.0006","21.3646","0.0014","90","","95.373","0.002","90","","1140.08","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C42 H64 N4 O12 -","2","1","","Bouillère, Francelin; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Access to β,γ-diamino acids. Application to the synthesis of 3-deoxyaminostatine.","Organic & biomolecular chemistry","2011","9","2","394","399","10.1039/C0OB00370K","","x-ray","0.71073","MoKα","","0.1255","0.1177","","","0.316","0.3263","","","","","","1.061","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151641","8.0959","0.0004","5.7246","0.0003","22.417","0.0009","90","","95.369","0.004","90","","1034.38","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C44 H46 N6 O10 S2 -","2","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0903","0.0578","","","0.1278","0.1445","","","","","","0.978","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151643","10.019","0.002","6.5258","0.0013","22.94","0.005","90","","101.39","0.03","90","","1470.3","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-(2, 3-O-isopropylidene-A-D-ribofuransoyl)amino-5-cyano-6- chloropyrimidine","4-(2, 3-O-isopropylidene-Â-D-ribofuransoyl)amino-5-cyano-6-chloropyrimidine","","- C13 H15 Cl N4 O4 -","- C13 H15 Cl N4 O4 -","- C52 H60 Cl4 N16 O16 -","4","2","","Yang, Hao-Zhe; Pan, Mei-Ying; Jiang, Da-Wei; He, Yang","Synthesis of Janus type nucleoside analogues and their preliminary bioactivity.","Organic & biomolecular chemistry","2011","9","5","1516","1522","10.1039/C0OB00495B","","","0.71073","MoKα","","0.0407","0.0372","","","0.0822","0.0854","","","","","","1.02","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7151687","8.2259","0.0012","12.3386","0.0017","9.1136","0.0013","90","","97.552","0.002","90","","917","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O5 -","- C20 H16 Br N O5 -","- C40 H32 Br2 N2 O10 -","2","1","","Jin, Zhichao; Yu, Feng; Wang, Xiao; Huang, Huicai; Luo, Xiaoyan; Liang, Xinmiao; Ye, Jinxing","A one-pot asymmetric organocatalytic tandem reaction for the synthesis of oxazine derivatives.","Organic & biomolecular chemistry","2011","9","6","1809","1816","10.1039/C0OB00669F","","","0.71073","MoKα","","0.0661","0.0468","","","0.1032","0.1086","","","","","","0.896","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151692","6.771","0.0003","26.804","0.0015","7.448","0.0003","90","","89.867","0.003","90","","1351.73","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","2","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.1178","0.0964","","","0.2224","0.235","","","","","","1.062","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151705","6.9783","0.0003","11.2514","0.0005","14.4801","0.0007","90","","91.389","0.002","90","","1136.58","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O6 Se2 -","- C18 H28 N2 O6 Se2 -","- C36 H56 N4 O12 Se4 -","2","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0587","0.038","","","0.0708","0.0775","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151708","5.654","0.0009","7.4586","0.0012","13.1","0.002","90","","99.649","0.003","90","","544.62","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0439","0.0369","","","0.0849","0.0881","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151710","5.331","0.002","7.848","0.003","14.735","0.006","90","","95.877","0.006","90","","613.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0327","0.032","","","0.0854","0.0879","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151726","6.0046","0.0014","6.104","0.0014","12.099","0.003","90","","103.144","0.004","90","","431.84","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.036","0.0319","","","0.0832","0.0855","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151728","9.772","0.002","17.25","0.004","11.937","0.002","90","","97.6","0.03","90","","1994.5","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 Cl N O11 -","- C37 H52 Cl N O11 -","- C74 H104 Cl2 N2 O22 -","2","1","","Yu, Jipan; Miao, Zhiwei; Chen, Ruyu","Highly efficient asymmetric vinylogous Mannich reaction induced by O-pivaloylated d-galactosylamine as the chiral auxiliary.","Organic & biomolecular chemistry","2011","9","6","1756","1762","10.1039/C0OB01048K","","","0.71073","MoKα","","0.0655","0.0534","","","0.1276","0.1373","","","","","","1.017","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151730","8.0678","0.0001","16.6957","0.0002","9.6537","0.0001","90","","99.437","0.001","90","","1282.73","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1,2-syn-2,3-anti-iodoalcohol","(1S,2S,3S)-1-(2',2',2'-trichloromethylcarbonylamino)-2-hydroxy-3-iodocyclohexane","","- C8 H11 Cl3 I N O2 -","- C8 H11 Cl3 I N O2 -","- C32 H44 Cl12 I4 N4 O8 -","4","2","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.0449","0.0313","","","","0.0585","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151743","5.4962","0.001","14.702","0.003","14.657","0.003","90","","100.037","0.003","90","","1166.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 Br N O4 -","- C27 H22 Br N O4 -","- C54 H44 Br2 N2 O8 -","2","1","","Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition with curcumin derivative.","Organic & biomolecular chemistry","2011","9","7","2505","2511","10.1039/c0ob00757a","","","0.71073","MoKα","","0.0803","0.059","","","0.1375","0.1467","","","","","","0.938","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151772","5.6695","0.0005","13.7791","0.0013","18.04","0.0017","90","","95.532","0.011","90","","1402.7","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1075","0.0469","","","0.1047","0.1228","","","","","","0.788","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151773","6.2097","0.0007","13.1829","0.0014","15.2549","0.0018","90","","90.202","0.014","90","","1248.8","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1263","0.0456","","","0.0793","0.0969","","","","","","0.781","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151783","10.613","0.004","10.186","0.003","23.142","0.012","90","","91.9","0.04","90","","2500.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C29 H27 N3 O4 -","- C29 H27 N3 O4 -","- C116 H108 N12 O16 -","4","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0968","0.0653","","","0.1386","0.158","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151786","5.559","0.006","8.894","0.004","12.507","0.006","90","","92.64","0.06","90","","617.7","0.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1612","0.063","","","0.1355","0.1654","","","","","","0.869","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151811","5.4217","0.0002","20.2401","0.0009","40.725","0.0017","90","","91.593","0.001","90","","4467.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((R)-2-chloro-2-phenylethyl)-5-(2-hydroxy-1-methoxyethyl)-N- -(4-methoxyphenethyl)-1H-pyrazolo[3,4-b]pyridin-4-amine","","- C25 H25 Cl N4 O3 -","- C25 H25 Cl N4 O3 -","- C200 H200 Cl8 N32 O24 -","8","4","","Tuccinardi, Tiziano; Zizzari, Alessandra Tania; Brullo, Chiara; Daniele, Simona; Musumeci, Francesca; Schenone, Silvia; Trincavelli, Maria Letizia; Martini, Claudia; Martinelli, Adriano; Giorgi, Gianluca; Botta, Maurizio","Substituted pyrazolo[3,4-b]pyridines as human A1 adenosine antagonists: Developments in understanding the receptor stereoselectivity","Organic & Biomolecular Chemistry","2011","9","12","4448","","10.1039/c0ob01064b","","","0.71073","MoKα","","0.2048","0.1084","","","0.1798","0.2254","","","","","","1.078","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151824","11.5605","0.0012","45.42","0.005","15.286","0.0016","90","","95.515","0.002","90","","7989.2","1.5","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-(Leu-Leu-RR)3-OMe","Boc-(Leu-Leu-RR)3-OMe","","- C133 H248 N18 O42 -","- C133 H248 N18 O42 -","- C266 H496 N36 O84 -","2","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.097","0.0859","","","0.237","0.2503","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151826","15.4487","0.0014","44.175","0.004","21.6774","0.0019","90","","96.234","0.002","90","","14706","2","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-Acp)3-OMe","","- C60.5 H109.5 N9 O13.75 -","- C60.5 H109.5 N9 O13.75 -","- C484 H876 N72 O110 -","8","4","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.1191","0.0962","","","0.2635","0.2857","","","","","","1.096","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151832","6.3831","0.0014","7.837","0.003","15.41","0.003","90","","90.91","0.03","90","","770.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C28 H28 N8 O14 -","2","1","","Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta","Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2.","Organic & biomolecular chemistry","2011","9","9","3380","3385","10.1039/c0ob01186j","","","1.54184","CuKα","","0.2038","0.057","","","0.062","0.0838","","","","","","0.615","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151833","9.5128","0.0008","7.9036","0.0007","12.3434","0.001","90","","109.552","0.001","90","","874.53","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.0493","0.0472","","","0.1288","0.1314","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151843","4.7575","0.0002","9.8672","0.0004","16.6178","0.0006","90","","92.21","0.002","90","","779.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 Br O -","- C17 H21 Br O -","- C34 H42 Br2 O2 -","2","1","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0605","0.0525","","","0.1308","0.1449","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151857","12.6196","0.0002","5.8517","0.0001","12.6336","0.0002","90","","99.29","0.01","90","","920.71","0.04","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1RS,2RS,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H- dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarbonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C50 H38 N6 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CuKα","","0.0355","0.0331","","","0.0805","0.0822","","","","","","1.066","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151861","7.8226","0.0002","10.0497","0.0002","9.1628","0.0002","90","","102.925","0.002","90","","702.08","0.03","123","","123","","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C26 H40 O14 -","2","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0289","0.0282","","","0.0739","0.0742","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151899","6.526","0.006","11.83","0.01","12.312","0.011","90","","104.267","0.013","90","","921.2","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.1322","0.086","","","0.149","0.1641","","","","","","1.164","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151902","10.3751","0.001","7.7786","0.0007","11.4085","0.0011","90","","99.955","0.002","90","","906.85","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0375","0.0365","","","0.0918","0.0927","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151903","4.942","0.004","11.622","0.011","15.783","0.014","90","","93.573","0.014","90","","904.7","1.4","296","2","296","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Fmoc-Val-CH2OH","Fmoc-Val-CH2OH","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.0758","0.041","","","0.0508","0.0548","","","","","","1.456","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151914","8.2061","0.0017","7.6948","0.0016","10.792","0.002","90","","101.725","0.005","90","","667.2","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H7 B F9 N3 -","- C11 H7 B F9 N3 -","- C22 H14 B2 F18 N6 -","2","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0638","0.0528","","","0.1303","0.1421","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151924","18.6624","0.0003","6.6549","0.0001","19.1657","0.0004","90","","105.704","0.0008","90","","2291.46","0.07","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20.5 H26.5 N4 O11.75 Os -","- C20.5 H23.5 N4 O11.75 Os -","- C82 H94 N16 O47 Os4 -","4","2","","Sugizaki, Kaori; Ikeda, Shuji; Yanagisawa, Hiroyuki; Okamoto, Akimitsu","Facile synthesis of hydroxymethylcytosine-containing oligonucleotides and their reactivity upon osmium oxidation.","Organic & biomolecular chemistry","2011","9","11","4176","4181","10.1039/c1ob05247k","","","0.71073","MoKα","","0.0395","0.033","","","0.0688","0.0712","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151926","7.9258","0.0004","16.4316","0.0008","12.9933","0.0006","90","","105.595","0.002","90","","1629.87","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triazolo-pyrazine","","","- C18 H15 F3 N4 -","- C18 H15 F3 N4 -","- C72 H60 F12 N16 -","4","2","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.1039","0.0783","","","0.2102","0.2271","","","","","","1.109","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151940","7.8373","0.0007","8.6462","0.0008","13.3583","0.0012","90","","94.152","0.002","90","","902.82","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C38 H44 O10 S2 -","2","1","","Ren, Qiao; Gao, Yaojun; Wang, Jian","Chiral indane skeleton based thiourea catalyzed highly stereoselective cascade Michael-enolation-cyclization reaction.","Organic & biomolecular chemistry","2011","9","14","5297","5302","10.1039/c1ob05477e","","","0.71073","MoKα","","0.0447","0.0428","","","0.1088","0.1102","","","","","","1.076","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151947","16.4115","0.0013","8.1684","0.0005","17.6258","0.0013","90","","96.614","0.003","90","","2347.1","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H64 N6 O7 Si2 -","- C46 H64 N6 O7 Si2 -","- C92 H128 N12 O14 Si4 -","2","1","","Sacchetti, Alessandro; Silvani, Alessandra; Gatti, Francesco G.; Lesma, Giordano; Pilati, Tullio; Trucchi, Beatrice","Addition of TMSCN to chiral ketimines derived from isatin. Synthesis of an oxindole-based peptidomimetic and a bioactive spirohydantoin.","Organic & biomolecular chemistry","2011","9","15","5515","5522","10.1039/c1ob05532a","","","0.71073","MoKα","","0.0467","0.0356","","","0.0829","0.0896","","","","","","1.028","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151950","4.7957","0.0014","19.605","0.006","9.913","0.003","90","","100.076","0.004","90","","917.6","0.5","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0537","0.0505","","","0.1348","0.1377","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151952","8.1115","0.0003","5.6573","0.0002","18.0697","0.0007","90","","92.887","0.003","90","","828.15","0.05","120","2","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl2 O3 -","- C19 H14 Cl2 O3 -","- C38 H28 Cl4 O6 -","2","1","","Zhang, Qi; Xiao, Xiao; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective synthesis of γ-substituted butenolides via the vinylogous Mukaiyama-Michael reaction catalyzed by a chiral scandium(iii)-N,N'-dioxide complex.","Organic & biomolecular chemistry","2011","9","16","5748","5754","10.1039/c1ob05558e","","","0.7107","MoKα","","0.0318","0.0273","","","0.0591","0.0602","","","","","","0.914","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151989","10.5991","0.0004","6.3352","0.0002","11.6093","0.0005","90","","93.8504","0.0016","90","","777.77","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0313","","","","0.035","","","","","","1.0537","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151990","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152000","9.859","0.002","17.767","0.004","12.361","0.003","90","","91.25","0.03","90","","2164.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H44 N4 Ni O6 S -","- C43.5 H43.5 N4 Ni O6.25 S -","- C87 H87 N8 Ni2 O12.5 S2 -","2","1","","Song, Guowei; Jin, Meihong; Li, Zhenjiang; Ouyang, Pingkai","Asymmetric synthesis of α,β-diamino acid derivates via Mannich-type reactions of a chiral Ni(ii) complex of glycine with N-tosyl imines.","Organic & biomolecular chemistry","2011","9","20","7144","7150","10.1039/c1ob05848g","","","0.71073","MoKα","","0.1003","0.0678","","","0.1661","0.1919","","","","","","1.065","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152008","8.4105","0.0017","5.6321","0.0011","10.022","0.002","90","","107.78","0.003","90","","452.05","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Devi, Rema B.; Henrot, Matthias; De Paolis, Michaël; Maddaluno, Jacques","Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: Steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2011","9","19","6509","6512","10.1039/c1ob05923h","","x-ray","0.71073","MoKα","","0.0366","0.0354","","","0.0966","0.098","","","","","","1.061","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152013","5.1207","0.0004","18.0019","0.0011","5.8831","0.0005","90","","109.066","0.008","90","","512.57","0.07","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl (2-oxothietan-3-yl)carbamate","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C16 H26 N2 O6 S2 -","2","1","","Aubry, Sylvain; Sasaki, Kaname; Eloy, Laure; Aubert, Geneviève; Retailleau, Pascal; Cresteil, Thierry; Crich, David","Exploring the potential of the β-thiolactones in bioorganic chemistry.","Organic & biomolecular chemistry","2011","9","20","7134","7143","10.1039/c1ob05967j","","","1.54187","CuKα","","0.0719","0.0539","","","0.126","0.1749","","","","","","1.169","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152023","10.0665","0.0017","8.4236","0.0014","12.792","0.002","90","","96.133","0.003","90","","1078.5","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O3 S2 -","- C21 H29 N O3 S2 -","- C42 H58 N2 O6 S4 -","2","1","","Zhang, Hua; Li, Ya; Xu, Wei; Zheng, Wenrui; Zhou, Pei; Sun, Zhihua","Practical and stereoselective synthesis of β-amino sulfones from alkyl phenyl sulfones and N-(tert-butylsulfinyl) aldimines.","Organic & biomolecular chemistry","2011","9","19","6502","6505","10.1039/c1ob05992k","","","0.71073","MoKα","","0.0295","0.028","","","0.0722","0.0735","","","","","","1.045","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152025","8.494","0.002","11.25","0.003","14.974","0.004","90","","93.01","0.004","90","","1428.9","0.6","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(diphenylphosphoryl)((S)-1-(quinolin-8-ylsulfonyl)pyrrolidin-2-yl)methanol","","- C30 H33 N2 O6 P S -","- C30 H33 N2 O6 P S -","- C60 H66 N4 O12 P2 S2 -","2","1","","Zeng, Zhiping; Luo, Ping; Jiang, Yao; Liu, Yan; Tang, Guo; Xu, Pengxiang; Zhao, Yufen; Blackburn, G. Michael","Chiral phosphoproline-catalyzed asymmetric Michael addition of ketones to nitroolefins: an experimental and theoretical study.","Organic & biomolecular chemistry","2011","9","20","6973","6978","10.1039/c1ob06143g","","","0.71073","MoKα","","0.0522","0.0485","","","0.1243","0.1265","","","","","","1.037","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152041","10.152","0.002","8.2423","0.0016","12.511","0.003","90","","99.49","0.03","90","","1032.5","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 O7 -","- C25 H22 O7 -","- C50 H44 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0315","0.0276","","","0.0677","0.0688","","","","","","0.983","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152059","7.6547","0.0009","10.415","0.0009","13.3157","0.0014","90","","90.1","","90","","1061.58","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br N2 O6 -","- C22 H25 Br N2 O6 -","- C44 H50 Br2 N4 O12 -","2","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0753","0.0729","","","0.1686","0.1709","","","","","","1.02","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152062","10.3331","0.0003","10.8017","0.0003","18.4984","0.0005","90","0","102.951","0.045","90","0","2012.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Karabuga, Semistan; Cakici, Murat; Kazaz, Cavit; Sahin, Ertan; Kilic, Hamdullah; Ulukanli, Sabri","Synthesis of chiral sulfoximines derived from 3-aminoquinazolinones and their catalysis of enantioselective diethylzinc addition to aldehydes.","Organic & biomolecular chemistry","2011","9","22","7887","7896","10.1039/c1ob06205k","","","0.71073","MoKα","","0.084","0.0519","","","0.123","0.1461","","","","","","1.073","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152073","5.122","0.003","10.084","0.006","16.501","0.01","90","","96.062","0.013","90","","847.5","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-Ala-CuM","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","x-ray","0.71073","MoKα","","0.0642","0.0481","","","0.1216","0.1331","","","","","","1.028","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152077","8.4367","0.0003","7.7374","0.0003","11.1697","0.0005","90","","90.964","0.003","90","","729.03","0.05","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0739","0.0538","","","0.1057","0.1174","","","","","","1.206","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152087","10.2997","0.0005","4.987","0.0003","24.6551","0.0013","90","","92.668","0.004","90","","1265.03","0.12","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C50 H90 N2 O6 -","2","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0831","0.0545","","","0.1405","0.1557","","","","","","1.071","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152097","10.2837","0.0002","16.8731","0.0003","12.5611","0.0002","90","","109.192","0.001","90","","2058.44","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N6 O6 -","- C44 H52 N6 O6 -","- C88 H104 N12 O12 -","2","1","","Oh, Joong-Suk; Kim, Kyung Il; Song, Choong Eui","Enantioselective synthesis of α-deuterium labelled chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2011","9","23","7983","7985","10.1039/c1ob06319g","","","0.71073","MoKα","","0.0721","0.0432","","","0.0963","0.106","","","","","","0.935","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152116","5.0789","0.0002","11.0036","0.0005","10.9164","0.0005","90","","90.128","0.002","90","","610.07","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0235","0.0214","","0.0283","0.0252","0.0252","","","","","","1.1423","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152120","6.6936","0.0005","7.0452","0.0005","6.707","0.0005","90","","99.357","0.002","90","","312.08","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0263","0.0235","","0.0294","0.0268","0.0268","","","","","","1.1023","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152121","6.1357","0.0004","5.1847","0.0003","9.4064","0.0006","90","","93.064","0.002","90","","298.81","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0264","0.0242","","0.0313","0.0275","0.0275","","","","","","1.1586","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152122","7.698","0.0002","8.773","0.0002","8.885","0.0003","90","","94.976","0.0016","90","","597.78","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0325","0.0273","","0.0366","0.0308","0.0308","","","","","","1.0295","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152123","8.193","0.0003","7.164","0.0003","10.941","0.0005","90","","109.287","0.002","90","","606.14","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.047","0.0304","","0.0581","0.0345","0.0345","","","","","","1.0842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152126","6.1181","0.0003","7.1297","0.0003","6.9272","0.0004","90","","94.628","0.002","90","","301.18","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C12 H14 F2 O6 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0266","0.0235","","0.0318","0.0277","0.0277","","","","","","1.1481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152132","6.224","0.0004","10.6879","0.0006","8.8554","0.0004","90","","106.7","0.004","90","","564.23","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C26 H26 F2 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0413","0.031","","0.0445","0.0309","0.0309","","","","","","1.1805","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152151","9.934","0.0014","9.0722","0.0012","14.812","0.002","90","","104.519","0.003","90","","1292.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O7 S2 -","- C29 H25 N O7 S2 -","- C58 H50 N2 O14 S4 -","2","1","","Du, Zhiyun; Zhou, Chenggang; Gao, Yaojun; Ren, Qiao; Zhang, Kun; Cheng, Hansong; Wang, Wei; Wang, Jian","Expeditious diastereoselective construction of a thiochroman skeleton via a cinchona alkaloid-derived catalyst.","Organic & biomolecular chemistry","2012","10","1","36","39","10.1039/c1ob06497e","","","0.71073","MoKα","","0.0365","0.0355","","","0.0906","0.0915","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152155","14.217","0.0014","7.484","0.0008","14.487","0.0015","90","","93.356","0.007","90","","1538.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Li, Xin; Xue, Xiao-Song; Liu, Cong; Wang, Bin; Tan, Bo-Xuan; Jin, Jia-Lu; Zhang, Yue-Yan; Dong, Nan; Cheng, Jin-Pei","Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea.","Organic & biomolecular chemistry","2012","10","2","413","420","10.1039/c1ob06518a","","","0.71075","MoKα","","0.0662","0.0487","","","0.0769","0.0837","","","","","","0.967","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152165","6.805","0.005","13.163","0.005","13.478","0.005","90","0.005","99.373","0.005","90","0.005","1191.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.0823","0.1016","","","","","","0.985","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152167","5.7243","0.0003","18.0071","0.0008","11.168","0.0005","90","","96.429","0.004","90","","1143.94","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0543","0.0325","","","0.0558","0.0594","","","","","","0.892","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152168","5.7726","0.0006","17.59","0.002","11.5824","0.0014","90","","96.205","0.01","90","","1169.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1006","0.0481","","","0.0871","0.0966","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152169","9.5504","0.0003","25.2883","0.0007","10.0653","0.0003","90","","103.733","0.003","90","","2361.41","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.049","0.0313","","","0.0567","0.0584","","","","","","0.851","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152170","9.67","0.0003","12.489","0.0005","19.8078","0.0007","90","","93.06","0.003","90","","2388.75","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0856","0.0546","","","0.0912","0.1037","","","","","","1.04","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152171","13.539","0.002","13.615","0.002","13.6874","0.0017","90","","97.139","0.0012","90","","2503.5","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butoxycarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C104 H132 N12 O16 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1341","0.0558","","","0.0906","0.1083","","","","","","0.873","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152176","5.4561","0.0002","7.8785","0.0003","14.0005","0.0007","90","","90.132","0.002","90","","601.82","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Allen, Joseph C.; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalysed enantioselective synthesis of 4-arylchroman-2-ones.","Organic & biomolecular chemistry","2012","10","1","32","35","10.1039/c1ob06586f","","","0.71073","MoKα","","0.05","0.0377","","","0.0906","0.0975","","","","","","1.078","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152187","11.6327","0.0011","11.6667","0.001","15.0995","0.0013","90","","104.81","0.004","90","","1981.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H52 N6 S -","- C46 H52 N6 S -","- C92 H104 N12 S2 -","2","1","","Oh, Joong-Suk; Lee, Ji-Woong; Ryu, Tae Hee; Lee, Jae Heon; Song, Choong Eui","Self-association free bifunctional thiourea organocatalysts: synthesis of chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2012","10","5","1052","1055","10.1039/c1ob06629c","","","0.71073","MoKα","","0.1018","0.0684","","","0.1819","0.2095","","","","","","1.026","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152191","11.5434","0.0008","11.2906","0.0008","12.3029","0.0009","90","","107.608","0.002","90","","1528.34","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","","Boobalan, Ramalingam; Chen, Chinpiao; Lee, Gene-Hsian","Camphor-based Schiff base ligand SBAIB: an enantioselective catalyst for addition of phenylacetylene to aldehydes.","Organic & biomolecular chemistry","2012","10","8","1625","1638","10.1039/c1ob06683h","","","0.71073","MoKα","","0.0684","0.053","","","0.1313","0.1417","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152203","8.31659","0.00011","20.0565","0.0002","17.4123","0.0002","90","","95.0536","0.0012","90","","2893.11","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H25 F3 N2 O5 S -","- C34 H25 F3 N2 O5 S -","- C136 H100 F12 N8 O20 S4 -","4","2","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0445","0.0388","","","0.0979","0.1013","","","","","","1.015","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152216","11.4283","0.0001","17.1077","0.0002","19.3984","0.0002","90","","92.773","0.001","90","","3788.18","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,7-bis(benzyloxy)tetrahydro-5a,10a-epidithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione and 2,7-bis(benzyloxy)tetrahydro-5a,10a-epitrithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione in the ration 2.69:0.31","","- C74 H74 Cl6 N6 O12 S6.31 -","- C74 H74 Cl6 N6 O12 S6.309 -","- C148 H148 Cl12 N12 O24 S12.618 -","2","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0833","0.0764","","","0.1791","0.1858","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152219","13.1883","0.0006","6.5039","0.0003","14.5084","0.0007","90","","100.899","0.003","90","","1222.02","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl3 N3 O4 -","- C20 H30 Cl3 N3 O4 -","- C40 H60 Cl6 N6 O8 -","2","1","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0393","0.033","","","0.0755","0.0773","","","","","","1.006","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152245","10.9716","0.0004","18.7546","0.0006","13.2194","0.0004","90","","101.595","0.003","90","","2664.62","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","rifampicin 1,1,1-trichloroethane solvate","","","- C47 H64 Cl6 N4 O12 -","- C47 H64 Cl6 N4 O12 -","- C94 H128 Cl12 N8 O24 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0803","0.0538","","","0.1389","0.1652","","","","","","1.052","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152247","9.2035","0.0001","20.0206","0.0001","13.8049","0.0001","90","","103.152","0.001","90","","2476.96","0.04","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H68 Cl2 N2 O15 -","- C45 H67.99 Cl2.01 N2 O15 -","- C90 H135.98 Cl4.02 N4 O30 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","1.54184","CuKα","","0.0472","0.0471","","","0.1382","0.1383","","","","","","1.058","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152251","10.516","0.003","27.593","0.004","21.05","0.003","90","","97.919","0.003","90","","6050","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Val-Val-Ac6c-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-valyl-valyl-methyl ester hemihydrate","","- C50 H90 N8 O11.5 -","- C50 H90 N8 O11.5 -","- C200 H360 N32 O46 -","4","2","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1204","0.0644","","","0.1573","0.1814","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152258","10.0556","0.0002","23.1736","0.0005","11.9038","0.0002","90","","98.01","0.002","90","","2746.81","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Pyreneacetyl-(Deg)5-O-pNO2Bzl","","- C55 H72 N6 O9 -","- C55 H72 N6 O9 -","- C110 H144 N12 O18 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0705","0.0638","","","0.1774","0.188","","","","","","1.032","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152262","7.1563","0.001","8.3628","0.0012","10.5833","0.0015","90","","98.637","0.002","90","","626.19","0.15","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O7 -","- C11 H19 N O7 -","- C22 H38 N2 O14 -","2","1","","Chiou, Wen-Hua; Chen, Guei-Tang; Kao, Chien-Lun; Gao, Yu-Kai","Syntheses of (-)-pelletierine and (-)-homopipecolic acid.","Organic & biomolecular chemistry","2012","10","13","2518","2520","10.1039/c2ob06984a","","x-ray","0.71073","MoKα","","0.0353","0.0344","","","0.0965","0.0981","","","","","","1.063","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152267","12.249","0.004","5.5446","0.0019","16.208","0.006","90","","104.895","0.004","90","","1063.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br2 F2 N2 O2 -","- C22 H16 Br2 F2 N2 O2 -","- C44 H32 Br4 F4 N4 O4 -","2","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.0677","0.0519","","","0.1386","0.1486","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152300","8.107","0.0011","12.105","0.0016","11.6138","0.0016","90","","101.055","0.002","90","","1118.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O6 -","- C22 H26 Br N O6 -","- C44 H52 Br2 N2 O12 -","2","1","","Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang","Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.","Organic & biomolecular chemistry","2012","10","16","3195","3201","10.1039/c2ob25295c","","","0.71073","MoKα","","0.0745","0.0553","","","0.1301","0.1386","","","","","","0.92","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152303","9.7787","0.0004","10.1274","0.0003","9.7756","0.0003","90","","108.505","0.004","90","","918.05","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0438","0.0371","","0.091","0.0865","0.091","","","","","","0.9889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152309","5.1915","0.0001","12.1482","0.0003","20.353","0.0004","90","","91.797","0.001","90","","1282.98","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.056","0.0381","","","0.0858","0.0938","","","","","","1.043","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152325","10","0.0007","11.073","0.0007","10.832","0.002","90","","109.495","0.01","90","","1130.7","0.2","110","2","110","2","","","","","","","see text","7","P 1 21 1","P 2yb","4","CMN103F2","(2S,4S,5R)-3,4-Dimethyl-2-(α-(SFc)-trimethylsylanylferrocenyl)-5- phenyl-[1,3,2]oxazaphospholidine-2-oxide","","- C23 H30 Fe N O2 P Si -","- C23 H30 Fe N O2 P Si -","- C46 H60 Fe2 N2 O4 P2 Si2 -","2","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0383","0.0353","","","0.0727","0.0739","","","","","","1.054","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152338","10.6718","0.0005","11.6816","0.0006","14.2167","0.0007","90","","111.935","0.001","90","","1644.01","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O9 S -","- C33 H41 N O9 S -","- C66 H82 N2 O18 S2 -","2","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0296","0.0268","","","0.0666","0.0686","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152355","13.4861","0.0014","8.3629","0.0009","14.9897","0.0016","90","","110.252","0.002","90","","1586.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfoxide","","","- C35 H41 N O3 S Si -","- C35 H41 N O3 S Si -","- C70 H82 N2 O6 S2 Si2 -","2","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0549","0.0462","","","0.103","0.1103","","","","","","1.026","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152356","8.458","0.005","36.758","0.005","9.963","0.005","90","0.005","90.409","0.005","90","0.005","3097","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","REUT","","","- C34 H38 F N O3 S Si -","- C34 H38 F N O3 S Si -","- C136 H152 F4 N4 O12 S4 Si4 -","4","2","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.093","0.0643","","","0.1459","0.187","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152368","8.5632","0.0003","11.8122","0.0004","10.9084","0.0004","90","","91.69","0.001","90","","1102.91","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O6 -","- C20 H29 B N2 O6 -","- C40 H58 B2 N4 O12 -","2","1","","Martínez-Castro, Elisa; González-Benjumea, Alejandro; López, Oscar; Maya, Inés; Alvarez, Eleuterio; Fernández-Bolaños, José G","Intramolecular cyclization of alkoxyaminosugars: access to novel glycosidase inhibitor families.","Organic & biomolecular chemistry","2012","10","21","4220","4228","10.1039/c2ob25213a","","","0.71073","MoKα","","0.0368","0.0339","","","0.0863","0.0889","","","","","","1.033","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152383","10.8043","0.0004","5.7743","0.0002","14.0245","0.0005","90","","110.062","0.0018","90","","821.86","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","1.54187","CuKα","","","0.0341","","","","0.0902","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152384","11.0257","0.0006","7.5583","0.0004","14.7907","0.0009","90","","95.487","0.004","90","","1226.94","0.12","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C54 H92 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1005","0.0442","","","0.0837","0.0967","","","","","","0.829","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152385","11.658","0.003","6.105","0.002","17.568","0.005","90","","106.1","0.02","90","","1201.3","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C54 H88 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1092","0.0534","","","0.085","0.0957","","","","","","0.922","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152404","9.0784","0.0008","9.583","0.0007","9.3296","0.0009","90","","104.683","0.004","90","","785.15","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C28 H48 O16 -","2","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0512","0.0393","","","0.0961","0.1047","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152407","7.8579","0.0009","10.1629","0.0011","11.0489","0.0012","90","","90.616","0.004","90","","882.3","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","0.71073","MoKα","","0.054","0.0486","","","0.131","0.1358","","","","","","1.051","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152432","9.2365","0.0004","9.7935","0.0004","17.7681","0.0008","90","","101.569","0.003","90","","1574.61","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.1446","0.0671","","","0.1311","0.1606","","","","","","1.023","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152450","15.1052","0.0002","6.5375","0.0001","23.8816","0.0004","90","","95.864","0.0006","90","","2345.97","0.06","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H77 N2 O8 -","- C51 H78 N2 O8 -","- C102 H156 N4 O16 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","0.7","synchrotron","","","0.1076","","","","0.3477","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152451","11.406","0.0006","7.8884","0.0004","27.0427","0.0014","90","","96.296","0.003","90","","2418.5","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H80 N2 O10 -","- C51 H80 N2 O10 -","- C102 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0865","","","","0.2553","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152452","11.2617","0.0005","7.6842","0.0003","27.7084","0.0012","90","","93.487","0.002","90","","2393.37","0.18","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H80 N2 O10 -","- C52 H80 N2 O10 -","- C104 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.1664","","","","0.475","","","","","","1.327","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152454","8.2716","0.0012","10.4218","0.0018","10.0531","0.0018","90","","106.384","0.013","90","","831.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 F O6 -","- C17 H21 F O6 -","- C34 H42 F2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0303","0.0276","","","0.0786","0.0806","","","","","","1.026","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152455","12.125","0.002","4.8704","0.0015","14.1","0.003","90","","92.283","0.006","90","","832","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H9 Cl O3 -","- C7 H9 Cl O3 -","- C28 H36 Cl4 O12 -","4","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.085","0.0503","","","0.1098","0.1266","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152459","5.7565","0.0002","19.43","0.0008","8.1386","0.0003","90","","96.168","0.002","90","","905.02","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C32 H62 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0433","0.0365","","0.0936","0.0839","0.0936","","","","","","0.9192","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152460","7.9717","0.0002","12.5518","0.0003","13.0678","0.0003","90","","95.5854","0.0009","90","","1301.35","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C56 H78 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0457","0.0432","","0.1173","0.1153","0.1173","","","","","","0.9837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152476","6.8058","0.0003","8.713","0.0004","13.1696","0.0005","90","","91.746","0.003","90","","780.58","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C30 H44 O6 S2 -","2","1","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0816","0.0621","","","0.1676","0.1852","","","","","","1.102","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152538","11.123","0.005","7.632","0.004","12.7","0.005","90","","90.39","0.01","90","","1078.1","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.0847","0.0534","","","0.1428","0.1896","","","","","","0.789","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152548","8.4384","0.0003","5.3564","0.0002","16.3563","0.0005","90","","93.619","0.002","90","","737.82","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0587","0.0435","","","0.1099","0.1189","","","","","","1.048","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152551","10.7933","0.0014","16.163","0.002","13.5195","0.0019","90","","94.48","0.004","90","","2351.3","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H66 O6 Si3 -","- C43 H66 O6 Si3 -","- C86 H132 O12 Si6 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2282","0.1046","","","0.2684","0.3501","","","","","","1.024","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152554","10.1116","0.001","16.5521","0.0016","13.8615","0.0013","90","","99.705","0.003","90","","2286.8","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H65 N O6 Si2 -","- C46 H65 N O6 Si2 -","- C92 H130 N2 O12 Si4 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.0864","0.0439","","","0.0907","0.1052","","","","","","0.992","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152556","7.4889","0.0015","12.379","0.003","45.45","0.009","90","","90.04","0.03","90","","4213.4","1.6","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H61 N O6 Si2 -","- C40 H61 N O6 Si2 -","- C160 H244 N4 O24 Si8 -","4","2","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2755","0.1152","","","0.281","0.3674","","","","","","1.013","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152557","9.8965","0.0017","8.9206","0.0015","11.355","0.002","90","","113.274","0.002","90","","920.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C40 H44 Br2 N2 O6 -","2","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.049","0.0438","","","0.1007","0.102","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152584","6.227","0.0008","10.0764","0.0018","14.0512","0.0019","90","","91.347","0.016","90","","881.4","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O Si3 -","- C13 H24 O Si3 -","- C26 H48 O2 Si6 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0585","0.0433","","","0.1094","0.1232","","","","","","1.053","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152595","10.186","0.003","12.692","0.004","10.984","0.003","90","","93.75","0.02","90","","1417","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 F6 O6 S -","- C28 H22 F6 O6 S -","- C56 H44 F12 O12 S2 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1793","0.0626","","","0.0912","0.1215","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152617","10.7404","0.0019","7.6871","0.0015","12.188","0.002","90","","91.526","0.012","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 F7 O7 -","- C20 H13 F7 O7 -","- C40 H26 F14 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0564","0.0397","","","0.0895","0.0975","","","","","","1.025","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152638","9.5751","0.0003","14.6142","0.0005","10.3886","0.0003","90","","102.503","0.002","90","","1419.23","0.08","100","","100","","","","","","","","LOC ETH Zurich","6","P 1 21 1","P 2yb","4","","","","- C31 H25 N O4 S2 Si -","- C31 H25 N O4 S2 Si -","- C62 H50 N2 O8 S4 Si2 -","2","1","","Wu, Yi-Lin; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Frank, Brian B.; Spada, Gian Piero; Diederich, François","1,2-Di(phenylethynyl)ethenes with axially chiral, 2,2'-bridged 1,1'-binaphthyl substituents: potent cholesteric liquid-crystal inducers.","Organic & biomolecular chemistry","2012","10","39","8016","8026","10.1039/c2ob25983d","","","0.71073","MoKα","","0.0411","0.0371","","","0.0911","0.0943","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152688","7.7031","0.0003","9.8991","0.0006","15.8805","0.0008","90","","98.831","0.003","90","","1196.59","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H41 N O2 Si -","- C24 H41 N O2 Si -","- C48 H82 N2 O4 Si2 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0586","0.0439","","","0.1016","0.1107","","","","","","1.048","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152690","8.4675","0.0015","11.662","0.002","8.682","0.0016","90","","103.279","0.005","90","","834.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.6885","synchrotron","","0.0745","0.0643","","","0.1524","0.1555","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152695","10.673","0.005","8.677","0.004","12.475","0.006","90","","90.403","0.007","90","","1155.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H20 Cl N3 O2 S -","- C27 H20 Cl N3 O2 S -","- C54 H40 Cl2 N6 O4 S2 -","2","1","","Jiang, Lingyong; Yu, Xingxin; Fang, Bing; Wu, Jie","Silver triflate-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with pyridyne.","Organic & biomolecular chemistry","2012","10","40","8102","8107","10.1039/c2ob26379c","","","0.71073","MoKα","","0.0484","0.045","","","0.1308","0.1346","","","","","","0.914","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152701","11.5793","0.0002","9.778","0.0002","23.1685","0.0004","90","","101.922","0.0007","90","","2566.61","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0796","0.0625","","0.1736","0.1507","0.1735","","","","","","0.9698","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152703","7.7576","0.0003","6.007","0.0002","14.7572","0.0006","90","","93.71","0.002","90","","686.24","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0295","0.0275","","","0.067","0.0687","","","","","","1.089","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152708","8.5077","0.0004","9.6154","0.0005","9.324","0.0004","90","","116.932","0.007","90","","680.03","0.07","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0784","0.0832","","","","","","1.085","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152726","16.201","0.008","14.693","0.007","31.511","0.015","90","","100.528","0.007","90","","7375","6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H117 N12 O14 P -","- C70 H117 N12 O14 P -","- C280 H468 N48 O56 P4 -","4","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1207","0.0711","","","0.1651","0.1972","","","","","","1.039","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152728","7.1862","0.0007","11.0958","0.0013","11.8947","0.0011","90","","104.528","0.01","90","","918.12","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","6A","","","- C18 H26 O9 -","- C18 H26 O9 -","- C36 H52 O18 -","2","1","","Pandey, Ganesh; Adate, Priyanka A.; Puranik, Vedavati G.","Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones.","Organic & biomolecular chemistry","2012","10","41","8260","8267","10.1039/c2ob26597d","","","1.54184","CuKα","","0.0412","0.0409","","","0.1125","0.1131","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152731","9.7301","0.0009","19.154","0.0019","18.7347","0.0018","90","","90.915","0.002","90","","3491.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","0.71073","MoKα","","0.0574","0.0436","","","0.1072","0.1145","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152732","17.1331","0.0003","5.0892","0.0001","17.6727","0.0003","90","","118.234","0.001","90","","1357.61","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","1.54178","CuKα","","0.0452","0.0429","","","0.1184","0.1217","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152766","9.3629","0.0006","16.608","0.0008","9.8929","0.0005","90","","115.25","0.007","90","","1391.36","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","2","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","1.54184","CuKα","","0.088","0.0685","","","0.1807","0.2043","","","","","","1.045","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152768","10.4429","0.0003","7.4627","0.0002","14.1231","0.0004","90","","93.253","0.002","90","","1098.87","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C52 H60 N4 -","2","1","","Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos","Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis.","Organic & biomolecular chemistry","2013","11","4","569","579","10.1039/c2ob26754c","","","1.54178","CuKα","","0.0338","0.0321","","","0.0837","0.0855","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152769","15.4056","0.0004","6.8529","0.0002","15.8005","0.0004","90","","116.019","0.001","90","","1499.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C54 H66 F6 N12 O30 -","6","3","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0376","0.0342","","","0.0861","0.0882","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152770","6.3007","0.0003","7.3372","0.0003","10.8989","0.0004","90","","92.277","0.002","90","","503.45","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C18 H22 F2 N4 O10 -","2","1","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0242","0.0239","","","0.0643","0.0645","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152774","7.757","0.005","6.483","0.004","9.907","0.007","90","","92.808","0.012","90","","497.6","0.6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","gamma Phe","gamma_Phe","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1153","0.0704","","","0.1626","0.189","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152775","12.866","0.015","17.403","0.019","13.962","0.016","90","","107.22","0.03","90","","2986","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C51 H72 N8 O8 -","- C51 H72 N8 O8 -","- C102 H144 N16 O16 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2345","0.0813","","","0.1855","0.2369","","","","","","0.733","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152777","11.218","0.017","14.58","0.02","15.75","0.02","90","","100.06","0.03","90","","2536","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C47 H64 N8 O10 -","- C47 H64 N8 O10 -","- C94 H128 N16 O20 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2023","0.0824","","","0.1713","0.2352","","","","","","0.909","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152783","9.2201","0.0004","5.4993","0.0003","14.8584","0.0009","90","","93.833","0.003","90","","751.7","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H10 Br N O4 -","- C17 H10 Br N O4 -","- C34 H20 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0451","0.0299","","","0.0564","0.0825","","","","","","0.964","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152784","8.8074","0.0011","9.7518","0.0015","9.7363","0.0014","90","","93.785","0.005","90","","834.4","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O4 -","- C18 H12 Br N O4 -","- C36 H24 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0523","0.035","","","0.067","0.0731","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152792","10.043","0.003","8.99","0.002","25.768","0.006","90","","96.651","0.005","90","","2310.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","2","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1121","0.0846","","","0.2269","0.2399","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152793","8.5901","0.0008","13.7587","0.0013","9.4392","0.0009","90","","112.242","0.002","90","","1032.6","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl3 N O3 -","- C22 H20 Cl3 N O3 -","- C44 H40 Cl6 N2 O6 -","2","1","","Zhang, Xuefeng; Jiang, Xiaolong; Ding, Chunyong; Yao, Qizheng; Zhang, Ao","Unexpected N-glycosidation reaction of glycals with 1-amino-anthracene: structure revision and application to the synthesis of new analogues of marmycin A.","Organic & biomolecular chemistry","2013","11","8","1383","1389","10.1039/c2ob27020j","","","0.71073","MoKα","","0.0322","0.0315","","","0.0814","0.082","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152796","11.8628","0.0012","5.9193","0.0006","12.0256","0.0012","90","","96.191","0.001","90","","839.51","0.15","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 I O3 -","- C19 H17 I O3 -","- C38 H34 I2 O6 -","2","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0245","0.0223","","","0.069","0.0836","","","","","","1.215","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152803","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152806","11.226","0.008","7.133","0.005","12.018","0.009","90","","110.948","0.015","90","","898.7","1.1","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","","Boc-gI(b-CH2NO2)-COOH","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C28 H52 N4 O12 -","2","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0614","0.0441","","","0.1012","0.1106","","","","","","1.037","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152812","13.1137","0.0014","6.2475","0.0007","14.2342","0.0016","90","","113.906","0.002","90","","1066.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C46 H54 N6 O6 S2 -","2","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0774","0.0722","","","0.1506","0.1536","","","","","","1.008","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152830","12.297","0.003","5.9174","0.0009","14.699","0.003","90","","105.678","0.004","90","","1029.8","0.4","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C44 H48 Br2 N2 O4 -","2","1","","Lee, Myungmo; Lee, Young-Ju; Park, Eunyoung; Park, Yohan; Ha, Min Woo; Hong, Suckchang; Lee, Yeon-Ju; Kim, Taek-Soo; Kim, Mi-Hyun; Park, Hyeung-Geun","Highly enantioselective synthesis of 5-phenyl-2-alkylprolines using phase-transfer catalytic alkylation.","Organic & biomolecular chemistry","2013","11","12","2039","2046","10.1039/c3ob27089k","","","0.71075","MoKα","","","0.0405","","","","0.1218","","","","","","0.994","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152838","6.69","0.002","7.08","0.002","20.692","0.006","90","","95.955","0.005","90","","974.8","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Wang, Zhaofeng; Zhao, Kun; Fu, Junkai; Zhang, Junlin; Yin, Weiyu; Tang, Yefeng","Organocatalytic 1,4-conjugate addition of ascorbic acid to α,β-unsaturated aldehydes: bio-inspired total syntheses of leucodrin, leudrin and proposed structure of dilaspirolactone.","Organic & biomolecular chemistry","2013","11","13","2093","2097","10.1039/c3ob00046j","","","0.71073","MoKα","","0.0498","0.0471","","","0.0973","0.0992","","","","","","1.119","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152852","11.13","0.001","17.499","0.001","14.051","0.001","90","","99.9","0.003","90","","2695.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 F6 N3 O4 -","- C21 H35 F6 N3 O4 -","- C84 H140 F24 N12 O16 -","4","2","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.1055","0.0499","","","0.0915","0.1081","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152854","6.2151","0.0002","16.8252","0.0005","9.7311","0.0004","90","","90.176","0.001","90","","1017.58","0.06","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","03csf003","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0761","0.0518","","","0.1087","0.1216","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152881","8.6902","0.0001","34.9283","0.0003","11.4932","0.0002","90","","103.15","","90","","3397.1","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H25 Au F6 N O7 P S2 -","- C30 H25 Au F6 N O7 P S2 -","- C120 H100 Au4 F24 N4 O28 P4 S8 -","4","2","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0479","0.0375","","","0.0789","0.0832","","","","","","1.003","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152882","11.581","0.0002","13.095","0.0003","13.0305","0.0003","90","","114.426","0.001","90","","1799.25","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H33 Au F3 N2 O4 P S -","- C37 H33 Au F3 N2 O4 P S -","- C74 H66 Au2 F6 N4 O8 P2 S2 -","2","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0519","0.046","","","0.1194","0.1249","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152886","14.481","0.003","13.824","0.003","16.878","0.003","90","","109.685","0.003","90","","3181.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 Br N2.5 O1.5 -","- C17 H15.5 Br N2.5 O1.5 -","- C136 H124 Br8 N20 O12 -","8","4","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.106","0.0641","","","0.1537","0.1815","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152905","10.6173","0.0007","9.222","0.0006","10.9711","0.0007","90","","115.165","0.002","90","","972.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C44 H44 Cl2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0471","0.0373","","","0.0757","0.0791","","","","","","1.054","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152906","10.1531","0.0009","9.1685","0.0007","11.3968","0.0009","90","","110.669","0.002","90","","992.63","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C44 H44 Br2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0937","0.0521","","","0.0676","0.0769","","","","","","0.936","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152915","7.3222","0.0002","8.3972","0.0003","13.2244","0.0004","90","","92.244","0.003","90","","812.49","0.04","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O7 S -","- C17 H15 N O7 S -","- C34 H30 N2 O14 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0428","0.0375","","","0.0894","0.0936","","","","","","1.004","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152918","12.174","0.006","6.293","0.003","12.398","0.006","90","","98.901","0.014","90","","938.4","0.8","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Leckie, Stuart M.; Brown, T. Bruce; Pryde, David; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-mediated enantioselective formal [4 + 2] cycloadditions of alkylarylketenes and β,γ-unsaturated α-ketocarboxylic esters and amides.","Organic & biomolecular chemistry","2013","11","19","3230","3246","10.1039/c3ob40424b","","","1.54187","CuKα","","","0.0498","","","","0.1347","","","","","","1.065","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152921","13.0719","0.0016","11.4964","0.0014","15.273","0.002","90","","102.562","0.003","90","","2240.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H58 N6 O8 -","- C47 H58 N6 O8 -","- C94 H116 N12 O16 -","2","1","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.1104","0.0491","","","0.0609","0.0763","","","","","","0.691","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152953","6.8229","0.0001","19.0016","0.0003","8.4335","0.0001","90","","92.391","0.0007","90","","1092.42","0.03","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0239","0.0236","","","0.0604","0.0606","","","","","","1.043","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152967","5.3111","0.0003","11.1077","0.0006","19.5383","0.0013","90","","96.676","0.006","90","","1144.83","0.12","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","2","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0383","0.0376","","0.095","0.0923","0.095","","","","","","1.0397","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152977","8.9755","0.0009","6.9472","0.0005","9.1777","0.0009","90","","90.968","0.009","90","","572.19","0.09","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Br Cl N O3 -","- C10 H11 Br Cl N O3 -","- C20 H22 Br2 Cl2 N2 O6 -","2","1","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0375","0.0358","","0.0436","0.0423","0.0423","","","","","","1.0181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152978","11.7359","0.0008","5.5595","0.0004","12.5993","0.0009","90","","90.641","0.002","90","","822","0.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C40 H34 N2 O6 S2 -","2","1","","Rout, Subhrajit; Ray, Sumit K.; Singh, Vinod K.","Enantioselective Mukaiyama-Michael with 2-enoyl pyridine N-oxides catalyzed by PYBOX-DIPH-Zn(ii)-complexes at ambient temperature.","Organic & biomolecular chemistry","2013","11","27","4537","4545","10.1039/c3ob40445e","","","","","","","","","","","","","","","","","","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152981","14.4028","0.0008","18.9623","0.0011","25.4903","0.0017","90","","105.674","0.004","90","","6702.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H84 N8 O11.5 -","- C56 H84 N8 O11.5 -","- C224 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1599","0.0959","","","0.2251","0.2737","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152983","18.41","0.02","23.22","0.03","19.24","0.03","90","","118.036","0.017","90","","7260","17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C57 H88 N8 O12.5 -","- C57 H88 N8 O12.5 -","- C228 H352 N32 O50 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.265","0.1012","","","0.2061","0.309","","","","","","0.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152984","18.095","0.0004","23.0316","0.0005","18.6368","0.0005","90","","117.471","0.002","90","","6891.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C55 H84 N8 O11.5 -","- C55 H84 N8 O11.5 -","- C220 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1721","0.0915","","","0.2096","0.2644","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152986","14.3184","0.0008","18.9924","0.0009","25.1569","0.0014","90","","105.59","0.004","90","","6589.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83 N8 O13.5 -","- C56 H83 N8 O13.5 -","- C224 H332 N32 O54 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2475","0.1249","","","0.2929","0.3664","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152987","8.6438","0.0003","7.4285","0.0002","8.7806","0.0004","90","","94.451","0.001","90","","562.11","0.04","293","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1256","0.1548","","","","","","1.199","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153010","6.8534","0.0005","9.4451","0.0005","9.3061","0.0006","90","","94.8","0.006","90","","600.28","0.07","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Bihelovic, Filip; Karadzic, Ivanka; Matovic, Radomir; Saicic, Radomir N.","Total synthesis and biological evaluation of (-)-atrop-abyssomicin C.","Organic & biomolecular chemistry","2013","11","33","5413","5424","10.1039/c3ob40692j","","","0.71073","MoKα","","0.0584","0.0316","","","0.054","0.0581","","","","","","0.917","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153021","8.6842","0.0005","8.7472","0.0006","18.5924","0.0013","90","","93.142","0.006","90","","1410.2","0.16","150","0.14","150","0.14","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto","Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring.","Organic & biomolecular chemistry","2013","11","35","5809","5826","10.1039/c3ob40854j","","","1.54184","CuKα","","0.0862","0.0757","","","0.2339","0.2405","","","","","","1.147","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153038","7.907","0.008","8.093","0.008","12.534","0.013","90","","101.397","0.009","90","","786.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O5 -","- C16 H16 Br N O5 -","- C32 H32 Br2 N2 O10 -","2","1","","Liu, Luping; Zhang, Dekui; Zhang, Panpan; Jiang, Xianxing; Wang, Rui","Catalytic highly asymmetric 1,5(6)-selective cyclization reaction of α-hydroxyimino cyclic ketones: direct approach to ring-fused hydroxyimino dihydropyrans.","Organic & biomolecular chemistry","2013","11","32","5222","5225","10.1039/c3ob41001c","","","0.71073","MoKα","","0.0783","0.0489","","","0.1106","0.1218","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153045","8.5909","0.0004","10.8998","0.0005","9.6997","0.0004","90","","104.215","0.003","90","","880.46","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0408","0.0355","","","0.0785","0.0818","","","","","","1.038","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153054","8.228","0.0016","8.35","0.0017","15.938","0.003","90","","99.9","0.03","90","","1078.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N4 O6 S -","- C21 H24 N4 O6 S -","- C42 H48 N8 O12 S2 -","2","1","","Kim, Ki Tae; Kim, Hyun Woo; Moon, Dohyun; Rhee, Young Min; Kim, Byeang Hyean","(DNS)C: a fluorescent, environmentally sensitive cytidine derivative for the direct detection of GGG triad sequences.","Organic & biomolecular chemistry","2013","11","34","5605","5614","10.1039/c3ob41222a","","","0.72999","synchrotron","","0.0434","0.0385","","","0.1072","0.1091","","","","","","1.061","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153055","18.6107","0.0004","5.73338","0.00013","19.3766","0.0004","90","","113.408","0.008","90","","1897.37","0.13","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O4 -","- C20 H23 Br O4 -","- C80 H92 Br4 O16 -","4","2","","Krishnamurthi, Janagiraman; Nambu, Hisanori; Takeda, Koji; Anada, Masahiro; Yamano, Akihito; Hashimoto, Shunichi","Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4.","Organic & biomolecular chemistry","2013","11","32","5374","5382","10.1039/c3ob41236a","","","1.54187","CuKα","","","0.0266","","","","0.0729","","","","","","1.122","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153083","10.276","0.002","5.799","0.003","20.259","0.005","90","","103.07","0.02","90","","1176","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.1226","0.0734","","0.1465","0.117","","","","1.253","1.213","1.213","","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153084","11.351","0.002","9.7612","0.001","19.942","0.003","90","","91.07","0.02","90","","2209.2","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","2","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0936","0.0494","","0.141","0.1","","","","1.006","1.059","1.059","","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153089","6.176","0.008","11.293","0.015","12.236","0.016","90","","90","","90","","853.4","1.9","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.1648","0.0787","","","0.1571","0.1937","","","","","","0.896","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153092","6.9415","0.0009","13.2918","0.0017","10.6904","0.0014","90","","96.511","0.002","90","","980","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0401","0.0357","","","0.0873","0.0896","","","","","","1.487","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153109","14.1444","0.0014","15.9217","0.0016","16.094","0.0016","90","","112.638","0.002","90","","3345.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6.25 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.036","0.0316","","","0.0714","0.0872","","","","","","0.962","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153110","14.1383","0.0003","15.9256","0.0003","16.0775","0.0004","90","","112.556","0.001","90","","3343.11","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.031","0.0265","","","0.0602","0.0615","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153111","11.2385","0.0014","9.231","0.0011","32.8","0.004","90","","99.779","0.002","90","","3353.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0438","0.0402","","","0.0921","0.0942","","","","","","1.051","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153112","11.2356","0.0006","9.2098","0.0005","32.8244","0.0016","90","","99.774","0.002","90","","3347.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0329","0.0271","","","0.0516","0.0529","","","","","","0.987","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153119","5.8916","0.0004","9.9811","0.0006","14.272","0.0009","90","","90.639","0.001","90","","839.21","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sugar","","","- C13 H19 Cl3 O6 -","- C13 H19 Cl3 O6 -","- C26 H38 Cl6 O12 -","2","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0255","0.0253","","","0.0651","0.0653","","","","","","1.139","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153126","11.3964","0.0009","7.3357","0.0006","20.4793","0.0007","90","","103.585","0.005","90","","1664.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","2","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0988","0.0574","","","0.1295","0.1596","","","","","","1.026","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153136","8.4365","0.0004","19.7096","0.0017","11.9702","0.0005","90","","91.556","0.003","90","","1989.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 F N3 O6 -","- C42 H62 F N3 O6 -","- C84 H124 F2 N6 O12 -","2","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.7107","MoKα","","0.041","0.0357","","","0.0798","0.083","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153162","10.9242","0.0003","9.473","0.0003","18.5505","0.0006","90","","94.287","0.002","90","","1914.33","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (2R)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18.5 H20 Cl O6 P -","- C18.5 H20 Cl O6 P -","- C74 H80 Cl4 O24 P4 -","4","2","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0413","0.035","","","0.0866","0.0907","","","","","","1.022","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153163","6.9679","0.0003","19.054","0.0009","7.6683","0.0004","90","","93.428","0.002","90","","1016.27","0.08","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","","Chin, Jik; Kwon, Soon Ho; Moozeh, Kimia; So, Soon Mog; Lough, Alan J.; Kim, B. Moon","Stereospecific synthesis of a twinned alanine ester.","Organic & biomolecular chemistry","2013","11","46","8022","8025","10.1039/c3ob41582a","","","1.54178","CuKα","","0.0306","0.0305","","","0.0761","0.0763","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153167","8.6242","0.0006","14.6111","0.001","9.004","0.0006","90","","115.147","0.001","90","","1027.05","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methiodide of km1291","(N,N')-Bis-methyliodide adduct of (1S,2R)-2-(Methyl-pyridin-3-ylmethyl-amino)-1-phenyl-propan-1-ol","","- C18 H26 I2 N2 O -","- C18 H26 I2 N2 O -","- C36 H52 I4 N4 O2 -","2","1","","Vasiloiu, Maria; Leder, Sonja; Gaertner, Peter; Mereiter, Kurt; Bica, Katharina","Coordinating chiral ionic liquids.","Organic & biomolecular chemistry","2013","11","46","8092","8102","10.1039/c3ob41635f","","","0.71073","MoKα","","0.0211","0.0209","","","0.0523","0.0524","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153169","5.4244","0.0018","11.419","0.004","15.941","0.005","90","","99.108","0.013","90","","975","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","0.71073","MoKα","","0.0773","0.0565","","","0.1355","0.1498","","","","","","0.993","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153175","4.979","0.005","10.064","0.011","19.859","0.019","90","","92.52","0.02","90","","994.1","1.8","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F3 N3 O5 -","- C18 H22 F3 N3 O5 -","- C36 H44 F6 N6 O10 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.1283","","","","0.3614","","","","","","1.197","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153176","12.21","0.008","6.164","0.003","12.946","0.007","90","","99.737","0.012","90","","960.3","0.9","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.034","","","","0.09","","","","","","0.977","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153178","10.185","0.007","8.422","0.005","12.404","0.008","90","","111.547","0.012","90","","989.6","1.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0613","","","","0.1758","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153180","11.641","0.009","6.185","0.004","11.974","0.009","90","","104.942","0.018","90","","833","1","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0642","","","","0.1797","","","","","","1.074","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153186","12.208","0.005","6.102","0.003","13.056","0.005","90","","111.438","0.007","90","","905.3","0.7","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O S -","- C18 H27 N O S -","- C36 H54 N2 O2 S2 -","2","1","","Bosque, Irene; Foubelo, Francisco; Gonzalez-Gomez, Jose C","A general protocol to afford enantioenriched linear homoprenylic amines.","Organic & biomolecular chemistry","2013","11","43","7507","7515","10.1039/c3ob41804a","","","0.71073","MoKα","","0.0476","0.0384","","","0.0785","0.0833","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153203","11.1418","0.0008","7.1748","0.0005","12.9148","0.001","90","","105.564","0.001","90","","994.55","0.13","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N3 O3 -","- C20 H20 Br N3 O3 -","- C40 H40 Br2 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0325","0.0297","","","0.0714","0.0725","","","","","","0.99","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153206","11.016","0.005","7.612","0.003","12.92","0.005","90","","102.13","0.007","90","","1059.2","0.8","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F3 N3 O3 -","- C20 H17 Br F3 N3 O3 -","- C40 H34 Br2 F6 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0887","0.0469","","","0.0815","0.0954","","","","","","0.985","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153207","12.842","0.0019","7.0231","0.001","13.3863","0.0019","90","","90.547","0.003","90","","1207.3","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C46 H52 Br2 N6 O8 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1592","0.1045","","","0.1381","0.1533","","","","","","1.203","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153247","11.497","0.002","9.1335","0.0012","11.666","0.002","90","","101.688","0.002","90","","1199.6","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 O6 -","- C28 H30 O6 -","- C56 H60 O12 -","2","1","","Sadeghi-Khomami, Ali; Forcada, Tatiana J.; Wilson, Claire; Sanders, David A. R.; Thomas, Neil R.","The UDP-Galp mutase catalyzed isomerization: synthesis and evaluation of 1,4-anhydro-beta-D-galactopyranose and its [2.2.2] methylene homologue.","Organic & biomolecular chemistry","2010","8","7","1596","1602","10.1039/b917409e","","","0.71073","MoKα","","0.0412","0.0409","","","0.1006","0.101","","","","","","1.082","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153259","10.08","0.003","9.129","0.004","11.61","0.003","90","","112.49","0.03","90","","987.1","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O5 -","- C19 H27 N3 O5 -","- C38 H54 N6 O10 -","2","1","","Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique","MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.","Organic & biomolecular chemistry","2010","8","4","864","872","10.1039/b918612c","","","1.54178","CuKα","","0.0531","0.0531","","0.0921","","0.0921","","","1.948","","","1.948","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153263","11.3765","0.0003","20.5459","0.0005","14.0307","0.0003","90","","108.148","0.002","90","","3116.4","0.13","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H41 F26 O5 P2 Ru Sb -","- C61 H41 F26 O5 P2 Ru Sb -","- C122 H82 F52 O10 P4 Ru2 Sb2 -","2","1","","Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter","Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.","Organic & biomolecular chemistry","2010","8","1","193","200","10.1039/b918877k","","","0.71073","MoKα","","0.0201","0.0186","","0.0382","0.0376","0.0381","","","","","","0.9849","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153264","11.3765","0.0003","20.5459","0.0005","14.0307","0.0003","90","","108.148","0.002","90","","3116.4","0.13","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H41 F26 O5 P2 Ru Sb -","- C61 H41 F26 O5 P2 Ru Sb -","- C122 H82 F52 O10 P4 Ru2 Sb2 -","2","1","","Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter","Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.","Organic & biomolecular chemistry","2010","8","1","193","200","10.1039/b918877k","","","0.71073","MoKα","","0.0317","0.0274","","0.0652","0.0644","0.0652","","","","","","0.8884","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153273","11.3994","0.0014","7.5273","0.0009","21.096","0.003","90","","97.767","0.002","90","","1793.6","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17.5 H21 N6 O5 -","- C17.5 H21 N6 O5 -","- C70 H84 N24 O20 -","4","2","","Dodd, David W.; Swanick, Kalen N.; Price, Jacquelyn T.; Brazeau, Allison L.; Ferguson, M. J.; Jones, Nathan D.; Hudson, Robert H. E.","Blue fluorescent deoxycytidine analogues: convergent synthesis, solid-state and electronic structure, and solvatochromism.","Organic & biomolecular chemistry","2010","8","3","663","666","10.1039/b919921g","","","0.71073","MoKα","","0.0963","0.0521","","","0.1009","0.1169","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153274","10.423","0.002","10.23","0.003","27.358","0.006","90","","93.5","0.02","90","","2911.7","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(bis(2-methoxy-3-methyl-naphthyl)-isophthalate) bis(acetone) solvate","","","- C70 H60 O14 -","- C70 H60 O14 -","- C140 H120 O28 -","2","1","","Coluccini, Carmine; Dondi, Daniele; Caricato, Marco; Taglietti, Angelo; Boiocchi, Massimo; Pasini, Dario","Structurally-variable, rigid and optically-active D2 and D3 macrocycles possessing recognition properties towards C60.","Organic & biomolecular chemistry","2010","8","7","1640","1649","10.1039/b920867d","","","0.71073","MoKα","","0.147","0.0689","","","0.1588","0.198","","","","","","1.045","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153275","11.4141","0.0018","20.62","0.003","12.643","0.004","90","","91.474","0.015","90","","2974.7","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(bis(2-methoxy-3-methyl-naphthyl)-terephthalate) bis(acetone) solvate","","","- C70 H60 O14 -","- C70 H60 O14 -","- C140 H120 O28 -","2","1","","Coluccini, Carmine; Dondi, Daniele; Caricato, Marco; Taglietti, Angelo; Boiocchi, Massimo; Pasini, Dario","Structurally-variable, rigid and optically-active D2 and D3 macrocycles possessing recognition properties towards C60.","Organic & biomolecular chemistry","2010","8","7","1640","1649","10.1039/b920867d","","","0.71073","MoKα","","0.076","0.0482","","","0.1202","0.1371","","","","","","1.029","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153276","8.86","0.002","8.897","0.002","13.022","0.003","90","","109.05","0.03","90","","970.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 -","- C17 H24 O10 -","- C34 H48 O20 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Bowers, Nigel I.; Coen, Gerard B.; Malone, John F.; O'Dowd, Colin R; Stevenson, Paul J.; Allen, Christopher C. R.","Chemoenzymatic synthesis of the carbasugars carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose from methyl benzoate.","Organic & biomolecular chemistry","2010","8","6","1415","1423","10.1039/b921545j","","","0.71073","MoKα","","0.0645","0.0472","","","0.1126","0.128","","","","","","0.967","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153280","6.3467","0.0002","21.7077","0.0006","10.3198","0.0003","90","","90.9585","0.0016","90","","1421.58","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","2","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0384","0.0279","","0.0358","0.0308","0.0308","","","","","","1.1875","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153281","9.1347","0.0006","6.1641","0.0004","21.3826","0.0015","90","","98.82","0.003","90","","1189.76","0.14","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.1111","0.0822","","0.1035","0.0767","0.0767","","","","","","1.1501","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153289","11.2327","0.0003","10.1083","0.0003","12.0414","0.0003","90","","102.797","0.002","90","","1333.26","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 Br N2 O7 -","- C29 H27 Br N2 O7 -","- C58 H54 Br2 N4 O14 -","2","1","","Xie, Jian-Wu; Fan, Li-Ping; Su, Hong; Li, Xin-Sheng; Xu, Dong-Cheng","Efficient kinetic resolution of racemic 3-nitro-2H-chromene derivatives catalyzed by Takemoto's organocatalyst.","Organic & biomolecular chemistry","2010","8","9","2117","2122","10.1039/b922668k","","","0.71073","MoKα","","","0.0378","","","0.0873","0.0935","","","","","","1.032","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153320","9.8341","0.0004","8.8407","0.0004","11.5844","0.0006","90","","98.936","0.003","90","","994.93","0.08","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl2 N3 O3 -","- C19 H19 Cl2 N3 O3 -","- C38 H38 Cl4 N6 O6 -","2","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0715","0.0614","","","0.1745","0.1867","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153338","8.9962","0.0012","5.0086","0.0007","14.409","0.0014","90","","107.466","0.008","90","","619.31","0.14","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Milcent, Thierry; Hinks, Nathan; Bonnet-Delpon, Danièle; Crousse, Benoit","Trifluoromethyl nitrones: from fluoral to optically active hydroxylamines.","Organic & biomolecular chemistry","2010","8","13","3025","3030","10.1039/c001791d","","","0.71073","MoKα","","0.0928","0.0526","","0.1644","0.1377","0.1644","","","","","","1.0226","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153342","9.6104","0.001","6.8695","0.0013","15.6735","0.0017","90","","92.706","0.011","90","","1033.6","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C44 H44 Cl2 N2 O10 -","2","1","","Li, Nan; Song, Jin; Tu, Xi-Feng; Liu, Bin; Chen, Xiao-Hua; Gong, Liu-Zhu","Organocatalytic asymmetric intramolecular [3+2] cycloaddition: a straightforward approach to access multiply substituted hexahydrochromeno[4,3-b]pyrrolidine derivatives in high optical purity.","Organic & biomolecular chemistry","2010","8","9","2016","2019","10.1039/c002369h","","","1.54184","CuKα","","0.0712","0.0581","","","0.1447","0.1564","","","","","","1.006","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153375","7.4011","0.0002","21.678","0.0006","11.5033","0.0004","90","","92.832","0.002","90","","1843.35","0.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","2","","Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves","Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.","Organic & biomolecular chemistry","2010","8","14","3227","3243","10.1039/c004218h","","","0.71073","MoKα","","0.0633","0.0439","","","0.1015","0.113","","","","","","1.017","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153376","4.5326","0.0002","25.9051","0.0012","6.2404","0.0003","90","","110.523","0.003","90","","686.23","0.06","193","2","193","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves","Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.","Organic & biomolecular chemistry","2010","8","14","3227","3243","10.1039/c004218h","","x-ray","0.71073","MoKα","","0.0741","0.0475","","","0.1006","0.1144","","","","","","1.061","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153380","11.062","0.005","18.764","0.009","16.643","0.008","90","","102.369","0.008","90","","3374","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","t-Butyloxycarbonyl-leucyl-valyl-valyl-alpha-aminoisobutyryl-D- prolyl-leucyl-valyl-valyl-methyl ester dimethylformamide solvate","t-Butyloxycarbonyl-leucyl-valyl-valyl-alpha-aminoisobutyryl- D-prolyl-leucyl-valyl-valyl-methyl ester dimethylformamide solvate","","- C53 H98 N10 O13 -","- C53 H98 N10 O13 -","- C106 H196 N20 O26 -","2","1","","Raghavender, Upadhyayula Surya; Aravinda, Subrayashastry; Rai, Rajkishor; Shamala, Narayanaswamy; Balaram, Padmanabhan","Peptide hairpin nucleation with the obligatory Type I' beta-turn Aib-DPro segment.","Organic & biomolecular chemistry","2010","8","14","3133","3135","10.1039/c004577m","","","0.71073","MoKα","","0.29","0.0947","","","0.1734","0.2909","","","","","","0.973","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153406","8.9143","0.001","6.083","0.0007","13.2938","0.0015","90","","93.159","0.003","90","","719.77","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C28 H40 O4 S2 -","2","1","","Fang, Zhao; Zhou, Chao; Fu, Chunling; Ma, Shengming","Studies on highly regio- and stereoselective hydration of 1,2-allenylic sulfoxides.","Organic & biomolecular chemistry","2010","8","20","4554","4561","10.1039/c0ob00007h","","","0.71073","MoKα","","0.0475","0.0415","","","0.1021","0.1081","","","","","","1.056","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153417","12.662","0.003","16.559","0.003","19.055","0.004","90","","107.376","0.009","90","","3812.9","1.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H55 B Br N3 O2 -","- C39 H55 B Br N3 O2 -","- C156 H220 B4 Br4 N12 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.16","0.0737","","","0.1593","0.1951","","","","","","1.026","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153420","8.475","0.003","23.006","0.006","13.458","0.003","90","","98.08","0.01","90","","2597.9","1.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H79 B Cl N3 O2 -","- C59 H79 B Cl N3 O2 -","- C118 H158 B2 Cl2 N6 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0581","0.0441","","","0.0957","0.1019","","","","","","1.039","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153430","8.4146","0.0002","18.1567","0.0004","13.8651","0.0004","90","","105.663","0.003","90","","2039.67","0.09","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 B Na O8 -","- C15 H32 B Na O8 -","- C60 H128 B4 Na4 O32 -","4","2","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.068","0.0483","","","0.1014","0.1154","","","","","","1.083","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153434","5.9598","0.0005","5.2424","0.0004","30.618","0.002","90","","94.207","0.002","90","","954.04","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H35 N O2 -","- C18 H35 N O2 -","- C36 H70 N2 O4 -","2","1","","Kumar, Pradeep; Dubey, Abhishek; Puranik, Vedavati G.","A general and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation.","Organic & biomolecular chemistry","2010","8","22","5074","5086","10.1039/c0ob00117a","","","0.71073","MoKα","","0.0975","0.0732","","","0.1667","0.1788","","","","","","1.182","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153454","4.753","0.003","12.723","0.007","9.586","0.006","90","","93.749","0.014","90","","578.4","0.6","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","","Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.","Organic & biomolecular chemistry","2010","8","20","4736","4743","10.1039/c0ob00198h","","","0.71073","MoKα","","0.0581","0.0523","","","0.0898","0.0913","","","","","","0.974","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153462","9.754","0.0009","9.3273","0.0008","13.3001","0.0012","90","","89.9","","90","","1210.02","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl2 N3 O S -","- C27 H23 Cl2 N3 O S -","- C54 H46 Cl4 N6 O2 S2 -","2","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0443","0.0435","","","0.1125","0.1133","","","","","","1.025","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153463","10.8114","0.0011","10.9871","0.0011","11.0108","0.0011","90","","107.048","0.002","90","","1250.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl2 N3 O S -","- C27 H23 Cl2 N3 O S -","- C54 H46 Cl4 N6 O2 S2 -","2","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0289","0.0282","","","0.0689","0.0694","","","","","","1.033","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153482","11.6442","0.0005","24.372","0.001","13.0153","0.0006","90","","98.82","0.001","90","","3650","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H36 O4 -","- C48 H36 O4 -","- C192 H144 O16 -","4","2","","Yu, Xiuzhao; Cao, Zhongyan; Zhang, Junliang","Organocatalytic hetero [4+2] cycloaddition reactions of 2-(1-alkynyl)-2-alkene-1-ones: metal-free access to highly substituted 4H-pyrans.","Organic & biomolecular chemistry","2010","8","22","5059","5061","10.1039/c0ob00334d","","","0.71073","MoKα","","0.0407","0.0344","","","0.084","0.0891","","","","","","1.026","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153484","10.9532","0.0017","7.9598","0.0013","17.259","0.003","90","","96.705","0.002","90","","1494.4","0.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","melleumin A","melleumin A","","- C25 H29 N3 O8 -","- C28.68 H29 N3 O10.01 -","- C57.36 H58 N6 O20.02 -","2","1","","Arai, Midori A.; Hanazawa, Shuwa; Uchino, Yujiro; Li, Xiaofan; Ishibashi, Masami","Total synthesis and evaluation of Wnt signal inhibition of melleumin A and B, and their derivatives.","Organic & biomolecular chemistry","2010","8","23","5285","5293","10.1039/c0ob00352b","","","0.71073","MoKα","","0.0761","0.0693","","","0.1875","0.1984","","","","","","0.929","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153485","7.757","0.001","18.607","0.001","10.809","0.001","90","","92.211","0.002","90","","1559","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-(1,3)oxazolo (3,2- a)pyrazine-3-carboxylate","methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-[1,3]oxazolo [3,2-a]pyrazine-3-carboxylate","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","2","","Trabocchi, Andrea; Stefanini, Irene; Morvillo, Manfredi; Ciofi, Leonardo; Cavalieri, Duccio; Guarna, Antonio","Chemical genetics approach to identify new small molecule modulators of cell growth by phenotypic screening of Saccharomyces cerevisiae strains with a library of morpholine-derived compounds.","Organic & biomolecular chemistry","2010","8","24","5552","5557","10.1039/c0ob00357c","","x-ray","1.54178","CuKα","","0.0696","0.0433","","","0.1","0.1126","","","","","","0.987","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153507","9.128","0.004","24.191","0.002","16.035","0.006","90","","90.21","0.05","90","","3541","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-(3,4- dimethoxyphenyl)‒2,6-dimethyl-1,4-di-hydropyridine-3,5-dicarboxylate","Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-(3,4-dimethoxyphenyl)- -2,6-dimethyl-1,4-di-hydropyridine-3,5-dicarboxylate","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","2","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.0698","0.0425","","","0.0903","0.1026","","","","","","1.032","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153520","9.685","0.008","8.592","0.006","23.185","0.013","90","","92.13","0.03","90","","1928","2","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/","Organic & Biomolecular Chemistry","2004","2","13","1822","1824","10.1039/b405882h","","","0.71075","MoKα","","0.1613","0.1203","","","0.2872","0.3124","","","","","","1.067","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153532","9.1902","0.0005","14.444","0.0007","15.8727","0.001","90","","94.398","0.002","90","","2100.8","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-cyclohexylimino-2-phenylacetimidic acid isopropyl ester","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C92 H136 N8 O4 -","4","2","","Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark","Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion","Organic & Biomolecular Chemistry","2004","2","14","1974","1976","10.1039/b408673m","","","0.71073","MoKα","","0.0683","0.0439","","","0.0905","0.0986","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153559","10.3743","0.0016","12.098","0.002","11.1576","0.0018","90","","105.03","0.017","90","","1352.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 N4 O2 -","- C30 H33 N4 O2 -","- C60 H66 N8 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.0885","0.048","","","0.0954","0.105","","","","","","0.894","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153571","9.2088","0.0003","11.1545","0.0003","13.3119","0.0005","90","","106.479","0.003","90","","1311.23","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br N O5 -","- C29 H26 Br N O5 -","- C58 H52 Br2 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Laxmi, S. Vijaya; Madhavachary, R.","Asymmetric synthesis of drug-like spiro[chroman-3,3'-indolin]-2'-ones through aminal-catalysis.","Organic & biomolecular chemistry","2014","12","4","574","580","10.1039/c3ob42100g","","","1.54184","CuKα","","0.0444","0.0404","","","0.1073","0.1134","","","","","","0.819","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153576","7.3517","0.0019","18.103","0.005","10.012","0.003","90","","96.47","0.02","90","","1324","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O9 -","- C29 H32 O9 -","- C58 H64 O18 -","2","1","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.1602","0.1458","","","0.3562","0.3683","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153580","9.567","0.0009","15.054","0.0015","9.7671","0.0013","90","","119.292","0.002","90","","1226.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl2 Mn N5 O -","- C24 H31 Cl2 Mn N5 O -","- C48 H62 Cl4 Mn2 N10 O2 -","2","1","","Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael","Catalytic and mechanistic studies into the epoxidation of styrenes using manganese complexes of structurally similar polyamine ligands.","Organic & biomolecular chemistry","2014","12","7","1124","1134","10.1039/c3ob42274g","","","0.71073","MoKα","","0.0392","0.0309","","","0.0524","0.0545","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153581","9.293","0.003","9.873","0.003","10.265","0.003","90","","98.175","0.016","90","","932.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C36 H34 F6 N4 O10 -","2","1","","Liu, Feng-Lei; Chen, Jia-Rong; Feng, Bin; Hu, Xiao-Qiang; Ye, Li-Hua; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective organocatalytic oxa-Michael addition of oximes to β-CF3-β-disubstituted nitroalkenes: efficient synthesis of β-amino-α-trifluoromethyl alcohols.","Organic & biomolecular chemistry","2014","12","7","1057","1060","10.1039/c3ob42329h","","","1.54178","CuKα","","0.2612","0.2246","","","0.5764","0.621","","","","","","2.269","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153586","4.9759","0.0015","13.292","0.004","10.625","0.003","90","","90.818","0.005","90","","702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8-Acetyl-1-aza-2-Methoxy-7-methyl-9-(3-oxobutyl)bicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0552","0.0462","","","0.1194","0.1238","","","","","","1.09","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153590","8.999","0.001","8.057","0.001","14.015","0.004","90","","105.34","0.04","90","","980","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-{(S)-[(S)-2,2-Diethyl-1,3-dioxolan-4-yl][(2-meth oxyphenyl)amino]methyl}pyrrolidin-2-one","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sartori, Andrea; Dell'amico, Luca; Battistini, Lucia; Curti, Claudio; Rivara, Silvia; Pala, Daniele; Kerry, Philip S.; Pelosi, Giorgio; Casiraghi, Giovanni; Rassu, Gloria; Zanardi, Franca","Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate.","Organic & biomolecular chemistry","2014","12","10","1561","1569","10.1039/c3ob42069h","","","0.71073","MoKα","","0.0665","0.063","","","0.1802","0.1875","","","","","","1.076","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153602","9.24936","0.00019","10.4306","0.0002","9.62893","0.00018","90","","99.3592","0.0013","90","","916.6","0.03","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C40 H34 Br2 N4 O8 -","2","1","","Kano, Taichi; Takechi, Ryosuke; Kobayashi, Ryohei; Maruoka, Keiji","Chiral Brønsted acid-catalyzed enantioselective addition of indoles to ketimines.","Organic & biomolecular chemistry","2014","12","5","724","727","10.1039/c3ob42190b","","","1.54187","CuKα","","","0.0535","","","","0.1429","","","","","","0.871","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153620","9.5877","0.0015","15.441","0.002","10.176","0.0017","90","","112.072","0.009","90","","1396.1","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O4 Se -","- C29 H35 N3 O4 Se -","- C58 H70 N6 O8 Se2 -","2","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.1002","0.0441","","","0.0716","0.0801","","","","","","0.921","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153624","6.4535","0.0005","7.2728","0.0005","10.4085","0.0006","90","","105.814","0.003","90","","470.03","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C22 H16 N4 S2 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0481","0.0414","","","0.0857","0.0893","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153648","9.3648","0.0015","6.0541","0.001","12.676","0.002","90","","90.287","0.006","90","","718.7","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts.","Organic & biomolecular chemistry","2014","12","1","119","122","10.1039/c3ob41938j","","","0.71075","MoKα","","","0.0697","","","","0.1151","","","","","","0.971","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153666","7.4192","0.0004","7.6708","0.0004","8.1477","0.0005","90","","101.304","0.005","90","","454.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl2 -","- C10 H10 Cl2 -","- C20 H20 Cl4 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0368","0.0297","","","0.0578","0.0593","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153674","13.7177","0.001","27.048","0.002","18.9817","0.0014","90","","92.5526","0.0012","90","","7035.9","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","","- C50 H94.28 Cl4 N20 O25.14 -","- C50 H68 Cl2.2785 N20 O16.39 -","- C200 H272 Cl9.114 N80 O65.56 -","4","2","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0583","0.0529","","","0.121","0.1234","","","","","","1.011","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153694","11.0704","0.0014","22.732","0.003","13.049","0.0017","90","","104.428","0.007","90","","3180.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 S -","- C19 H16.25 N2 S -","- C152 H130 N16 S8 -","8","4","","Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo","A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2014","12","14","2310","2321","10.1039/c4ob00103f","","","0.71073","MoKα","","","0.0785","","","0.1706","0.2387","","","","","","0.913","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153698","7.1858","0.0003","21.2747","0.0008","8.7923","0.0004","90","","97.085","0.004","90","","1333.87","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga","Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives.","Organic & biomolecular chemistry","2014","12","14","2235","2254","10.1039/c3ob42376j","","","0.71073","MoKα","","0.0504","0.0458","","","0.1211","0.1246","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153729","9.7215","0.0003","13.5384","0.0002","10.1187","0.0003","90","","116.959","0.003","90","","1187.04","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C56 H62 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0383","0.0368","","0.1008","0.0986","0.1007","","","","","","0.9976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153730","10.27494","0.00011","10.27815","0.0001","12.21513","0.00016","90","","107.27","0.0013","90","","1231.85","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0293","0.0282","","0.0763","0.0748","0.0763","","","","","","0.9348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153731","12.4852","0.0002","9.9345","0.0002","15.0329","0.0003","90","","100.016","0.0009","90","","1836.17","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0491","0.0434","","0.1086","0.1031","0.1086","","","","","","0.9156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153733","8.93933","0.00011","14.19427","0.00018","10.40085","0.00016","90","","98.842","0.0013","90","","1304.05","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 B F4 N O2 -","- C27 H36 B F4 N O2 -","- C54 H72 B2 F8 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0285","0.0275","","0.0696","0.0686","0.0695","","","","","","0.9882","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153735","5.421","0.0001","8.9375","0.0003","11.4409","0.0003","90","","101.827","0.0012","90","","542.55","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N O2 -","- C9 H18 Cl N O2 -","- C18 H36 Cl2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0254","0.0242","","0.0563","0.0553","0.0563","","","","","","1.0066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153748","6.2925","0.0005","22.0931","0.0018","15.8946","0.0013","90","","90.198","0.001","90","","2209.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 Cl N O6 S -","- C19 H28 Cl N O6 S -","- C76 H112 Cl4 N4 O24 S4 -","4","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0725","0.0696","","","0.186","0.1875","","","","","","1.177","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153759","11.3351","0.0008","8.8693","0.0006","13.8303","0.0009","90","","97.095","0.001","90","","1379.77","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 F3 O9 -","- C29 H33 F3 O9 -","- C58 H66 F6 O18 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0544","0.0469","","","0.1194","0.1275","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153760","13.0117","0.0008","8.5712","0.0005","20.0486","0.0012","90","","99.543","0.001","90","","2205","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H56 N2 O13 -","- C45 H56 N2 O13 -","- C90 H112 N4 O26 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0479","0.0405","","","0.1063","0.119","","","","","","1.061","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153761","12.9183","0.0017","8.5389","0.0012","19.772","0.003","90","","98.06","0.002","90","","2159.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H55 F N2 O12 -","- C45 H55 F N2 O12 -","- C90 H110 F2 N4 O24 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0639","0.0506","","","0.1101","0.121","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153762","16.388","0.008","10.033","0.005","28.031","0.014","90","","92.717","0.006","90","","4604","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H57 N O15 -","- C43 H53 N O14 -","- C172 H212 N4 O56 -","4","2","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.3611","0.1245","","","0.2904","0.3775","","","","","","1.167","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153769","9.222","0.001","10.052","0.0014","9.82","0.0012","90","","105.015","0.009","90","","879.23","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Miesch, Laurence; Welsch, Tania; Miesch, Michel","Stereoselective cross aldol condensation of bicyclo[3.2.0]alkanones.","Organic & biomolecular chemistry","2013","11","24","4025","4029","10.1039/c3ob40431e","","","0.71073","MoKα","","0.1163","0.0577","","","0.0884","0.1039","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153779","5.4783","0.0005","6.9229","0.0006","18.7771","0.0017","90","","95.059","0.003","90","","709.36","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Diethylphosphino)-1-(4-trifluoromethylphenyl)-1H-1,2,3-triazole","","- C13 H15 F3 N3 P -","- C13 H15 F3 N3 P -","- C26 H30 F6 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0523","0.0427","","","0.0979","0.1029","","","","","","1.111","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153803","5.2851","0.0001","15.1376","0.0004","8.295","0.0002","90","","94.61","0.001","90","","661.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Clark, J. Stephen; Labre, Flavien; Thomas, Lynne H.","Concise synthesis of the C-1-C-12 fragment of amphidinolides T1-T5.","Organic & biomolecular chemistry","2011","9","13","4823","4830","10.1039/c1ob05130j","","","0.71073","MoKα","","0.0577","0.0392","","","","0.0866","","","","","","0.939","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153818","4.0054","0.0004","15.3131","0.0018","9.7743","0.0008","90","","95.953","0.01","90","","596.27","0.1","290","1","290","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0965","0.0589","","","0.1151","0.1391","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153832","10.6542","0.0002","20.3405","0.0004","16.8979","0.0004","90","","97.027","0.002","90","","3634.47","0.13","120","","120","","","","101","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0607","0.0509","","0.1324","0.1192","0.1324","","","","","","0.9277","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153847","9.6739","0.0003","8.7077","0.0003","12.2435","0.0004","90","","99.661","0.001","90","","1016.73","0.06","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0408","0.0366","","","0.0919","0.0943","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153879","7.2984","0.0019","10.981","0.003","10.041","0.003","90","","90.375","0.004","90","","804.7","0.4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C32 H50 N2 O6 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0327","0.0314","","","0.0901","0.0916","","","","","","1.04","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153881","5.4633","0.0008","11.8774","0.0017","12.69","0.0018","90","","93.632","0.002","90","","821.8","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C32 H50 N2 O10 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0251","0.025","","","0.0709","0.0712","","","","","","1.052","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153890","8.9888","0.00014","6.81739","0.00008","18.275","0.0002","90","","100.482","0.0014","90","","1101.21","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Ouyang, Banlai; Yu, Tingting; Luo, Renshi; Lu, Gui","The asymmetric Cu(ii)-indolinylmethanol complex catalyzed Diels-Alder reaction of 2-vinylindoles with β,γ-unsaturated α-ketoesters: an efficient route to functionalized tetrahydrocarbazoles.","Organic & biomolecular chemistry","2014","12","24","4172","4176","10.1039/c4ob00196f","","","1.54184","CuKα","","0.0292","0.0273","","","0.0685","0.0703","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153895","6.508","0.001","25.907","0.003","9.134","0.0001","90","","99.33","0.01","90","","1519.6","0.3","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0771","0.0428","","","0.0783","0.0904","","","","","","1.065","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153896","6.763","0.001","8.187","0.001","13.881","0.001","90","","91.33","0.01","90","","768.37","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0547","0.0386","","","0.0854","0.0936","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153916","10.14509","0.00012","9.34727","0.00009","19.6126","0.0003","90","","101.171","0.0012","90","","1824.61","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 Cl2 N3 O6 -","- C39 H38 Cl2 N3 O6 -","- C78 H76 Cl4 N6 O12 -","2","1","","Tang, Zhongkai; Shi, Yan; Mao, Haibin; Zhu, Xuebin; Li, Weipeng; Cheng, Yixiang; Zheng, Wen-Hua; Zhu, Chengjian","Highly enantioselective synthesis of bisoxindoles with two vicinal quaternary stereocenters via Lewis base mediated addition of oxindoles to isatin-derived ketimines.","Organic & biomolecular chemistry","2014","12","32","6085","6088","10.1039/c4ob01039f","","","1.54184","CuKα","","0.0707","0.0694","","","0.1756","0.1772","","","","","","1.02","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153933","5.9048","0.0014","20.852","0.005","9.218","0.002","90","","94.46","0.004","90","","1131.5","0.5","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C56 H48 O4 S2 -","2","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.0519","0.0471","","","0.1023","0.1055","","","","","","1.079","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153944","8.1091","0.0002","11.2247","0.0003","11.0425","0.0004","90","","106.116","0.001","90","","965.61","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.9 H27.58 Br2 N2 O1.9 -","- C17.888 H27.552 Br2 N2 O1.888 -","- C35.776 H55.104 Br4 N4 O3.776 -","2","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0412","0.0393","","","0.104","0.1051","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153952","11.1108","0.00007","14.8838","0.0001","17.8512","0.0001","90","","90.9022","0.0006","90","","2951.7","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O16 -","- C32 H30 O16 -","- C128 H120 O64 -","4","2","","Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang","Diaporine, a novel endophyte-derived regulator of macrophage differentiation.","Organic & biomolecular chemistry","2014","12","34","6545","6548","10.1039/c4ob01123f","","","1.54184","CuKα","","0.0273","0.027","","","0.073","0.0733","","","","","","1.017","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153968","11.4323","0.0013","9.4544","0.001","11.5317","0.0013","90","","107.545","0.002","90","","1188.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O9 -","- C23 H32 O9 -","- C46 H64 O18 -","2","1","","Pazos, G.; Pérez, M; Gándara, Z; Gómez, G; Fall, Y.","Synthesis of a chiral building block for highly functionalized polycyclic ethers.","Organic & biomolecular chemistry","2014","12","39","7750","7757","10.1039/c4ob01439a","","","0.71073","MoKα","","0.1185","0.087","","","0.2557","0.2876","","","","","","1.067","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153973","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Ma, Xiaofeng; Tang, Qin; Ke, Jun; Zhang, Jichao; Yang, Xinglong; Shen, Xudong; Shao, Huawu","A neighboring group participation strategy: direct and highly diastereoselective synthesis of 2-substituted and 2,2-bisubstituted perhydrofuro[2,3-b]pyran derivatives.","Organic & biomolecular chemistry","2014","12","37","7381","7388","10.1039/c4ob00642a","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153985","7.7003","0.0006","8.1539","0.0007","16.0222","0.0013","90","","91.409","0.003","90","","1005.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0637","0.0448","","","0.101","0.1113","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153999","6.255","0.0018","18.15","0.0012","16.43","0.0012","90","","96.804","0.003","90","","1852.1","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H14 F5 N O2 S2 -","- C12 H14 F5 N O2 S2 -","- C48 H56 F20 N4 O8 S8 -","4","2","","Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Generalized access to fluorinated β-keto amino compounds through asymmetric additions of α,α-difluoroenolates to CF3-sulfinylimine.","Organic & biomolecular chemistry","2014","12","39","7836","7843","10.1039/c4ob01575d","","","0.71073","MoKα","","0.0593","0.0562","","","0.136","0.1362","","","","","","1.091","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154002","5.8687","0.0003","10.7289","0.0006","27.8199","0.0012","90","","95.947","0.003","90","","1742.24","0.15","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O6 -","- C19 H14 I N O6 -","- C76 H56 I4 N4 O24 -","4","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.1246","0.1087","","","0.3129","0.329","","","","","","1.141","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7154005","10.9","0.003","5.5397","0.0012","11.358","0.003","90","","100.555","0.004","90","","674.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71075","MoKα","","0.0406","0.0392","","","0.0917","0.0924","","","","","","1.042","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154022","9.7645","0.0009","7.469","0.0007","11.4907","0.0011","90","","95.351","0.002","90","","834.38","0.14","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C34 H34 N2 O10 S2 -","2","1","","Ge, Li-Shi; Wang, Zheng-Lin; An, Xing-Lan; Luo, Xiaoyan; Deng, Wei-Ping","Direct synthesis of polysubstituted 2-aminothiophenes by Cu(ii)-catalyzed addition/oxidative cyclization of alkynoates with thioamides.","Organic & biomolecular chemistry","2014","12","42","8473","8479","10.1039/c4ob01534g","","","0.71073","MoKα","","0.0362","0.0333","","","0.0841","0.0866","","","","","","1.022","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154073","8.671","0.003","15.948","0.006","15.692","0.006","90","","94.15","0.007","90","","2164.3","1.4","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H21 Br Cl N2 O2 P -","- C22.5 H21 Br Cl N2 O2 P -","- C90 H84 Br4 Cl4 N8 O8 P4 -","4","2","","Kong, Ling-Pei; Li, Nai-Kai; Zhang, Shao-Yun; Chen, Xiang; Zhao, Min; Zhang, Ya-Fei; Wang, Xing-Wang","Highly enantioselective phosphination and hydrophosphonylation of azomethine imines: using chiral squaramide as a hydrogen bonding organocatalyst.","Organic & biomolecular chemistry","2014","12","43","8656","8670","10.1039/c4ob01472c","","","0.71073","MoKα","","0.0812","0.0655","","","0.1762","0.1936","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154078","11.9298","0.0003","5.8381","0.0002","13.6572","0.0003","90","","94.667","0.002","90","","948.03","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","1","","Cheng, Shuanghua; Yu, Shouyun","Enantioselective synthesis of 3-substituted 1,2-oxazinanes via organocatalytic intramolecular aza-Michael addition.","Organic & biomolecular chemistry","2014","12","43","8607","8610","10.1039/c4ob01646g","","","1.54178","CuKα","","0.0701","0.0649","","","0.1697","0.1772","","","","","","1.071","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154089","9.054","0.003","14.587","0.004","12.85","0.004","90","","101.348","0.006","90","","1663.9","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H40 F N3 Ni O5 -","- C36 H40 F N3 Ni O5 -","- C72 H80 F2 N6 Ni2 O10 -","2","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.094","0.0602","","","0.0964","0.1082","","","","","","0.877","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154094","6.3498","0.0003","19.5019","0.0008","9.5651","0.0005","90","","102.297","0.004","90","","1157.3","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N0 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0329","0.031","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154095","8.9982","0.0004","12.36","0.0007","13.3864","0.0008","90","","98.572","0.005","90","","1472.17","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O12.2 -","- C28 H40 O12.2 -","- C56 H80 O24.4 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0826","0.0699","","","0.2008","0.2219","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154105","6.462","0.003","21.405","0.002","11.722","0.004","90","","105.001","0.001","90","","1566.1","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N5 O16 -","- C30 H23 N5 O16 -","- C60 H46 N10 O32 -","2","1","","Coelho, Jaime A. S.; Trindade, Alexandre F.; André, Vânia; Teresa Duarte, M.; Veiros, Luis F.; Afonso, Carlos A. M.","Trienamines derived from 5-substituted furfurals: remote ε-functionalization of 2,4-dienals.","Organic & biomolecular chemistry","2014","12","46","9324","","10.1039/c4ob01759e","","","0.71069","MoKα","","0.0988","0.0544","","","0.1136","0.1284","","","","","","0.967","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154106","10.3833","0.0007","10.5874","0.0007","13.2957","0.0009","90","","111.926","0.003","90","","1355.9","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N5 O7 -","- C27 H33 N5 O7 -","- C54 H66 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0592","0.0432","","","0.1031","0.1153","","","","","","1.034","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154107","10.104","0.0004","15.7277","0.0007","10.7107","0.0004","90","","106.895","0.002","90","","1628.6","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H39 N5 O7 -","- C35 H39 N5 O7 -","- C70 H78 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0585","0.042","","","0.0987","0.1081","","","","","","1.03","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154151","19.8","0.02","5.863","0.006","20.83","0.02","90","","101.188","0.012","90","","2372","4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Br N0 O3 P -","- C24 H32 Br O3 P -","- C96 H128 Br4 O12 P4 -","4","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1719","0.135","","","0.2983","0.3188","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154152","12.436","0.013","5.7781","0.0007","15.9687","0.0016","90","","92.534","0.001","90","","1146.3","1.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 N0 O4 P -","- C25 H30 O4 P -","- C50 H60 O8 P2 -","2","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1811","0.1367","","","0.3229","0.3557","","","","","","1.092","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154178","10.736","0.0003","15.9895","0.0003","11.2155","0.0003","90","","107.652","0.001","90","","1834.64","0.08","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0307","0.0291","","","0.0825","0.084","","","","","","1","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154179","9.3912","0.0005","10.6576","0.0004","18.9928","0.0008","90","","94.82","0.002","90","","1894.22","0.15","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0326","0.0304","","","0.0832","0.0854","","","","","","0.998","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154189","10.9779","0.0007","5.7869","0.0005","12.1402","0.001","90","","92.349","0.004","90","","770.59","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C28 H38 N2 O10 S2 -","2","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0357","0.0325","","","0.068","0.0695","","","","","","1.014","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154194","12.2471","0.0006","5.6271","0.0003","13.2223","0.0006","90","","112.39","0.002","90","","842.53","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","hydroxy(3-nitrophenyl)methyl)phosphinate","","","- C15 H19 N2 O5 P -","- C15 H19 N2 O5 P -","- C30 H38 N4 O10 P2 -","2","1","","Commare, Bruno; Rigault, Delphine; Lemasson, Isabelle A.; Deschamps, Patrick; Tomas, Alain; Roussel, Pascal; Brabet, Isabelle; Goudet, Cyril; Pin, Jean-Philippe; Leroux, Frédéric R; Colobert, Françoise; Acher, Francine C.","Determination of the absolute configuration of phosphinic analogues of glutamate.","Organic & biomolecular chemistry","2015","13","4","1106","1112","10.1039/c4ob01960a","","","0.71073","MoKα","","0.0576","0.0351","","","0.087","0.1123","","","","","","1.106","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154195","7.29191","0.00019","16.5352","0.0004","16.003","0.0004","90","","99.499","0.003","90","","1903.08","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 O12 -","- C42 H38 O12 -","- C84 H76 O24 -","2","1","","Huang, Xin; Fu, Chunling; Ma, Shengming","Palladium(0)-catalyzed synthesis of cyclic glucosides.","Organic & biomolecular chemistry","2015","13","1","248","251","10.1039/c4ob01975j","","","1.54184","CuKα","","0.0383","0.0354","","","0.0945","0.0981","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154207","12.2582","0.0011","16.6588","0.0013","20.6422","0.0017","90","","101.775","0.003","90","","4126.6","0.6","122","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H100 N12 O20 S6 -","- C66 H100 N12 O20 S6 -","- C132 H200 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Nielsen, Bjarne E.; Milhøj, Birgitte O; Sauer, Stephan P. A.; Pittelkow, Michael","Anion binding by biotin[6]uril in water.","Organic & biomolecular chemistry","2015","13","2","369","373","10.1039/c4ob02211d","","","0.71073","MoKα","","0.1368","0.0804","","","0.2055","0.2307","","","","","","0.969","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154259","10.4931","0.0008","11.5171","0.001","28.284","0.002","90","","91.379","0.004","90","","3417.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 O12 S3 -","- C29 H42 O12 S3 -","- C116 H168 O48 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0843","0.0605","","","0.1574","0.1826","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154260","5.227","0.0006","25.122","0.003","16.5667","0.0018","90","","99.08","","90","","2148.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 S3 -","- C17 H24 O10 S3 -","- C68 H96 O40 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0896","0.0674","","","0.1116","0.1632","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154264","12.537","0.003","8.0131","0.0015","12.749","0.004","90","","111.21","0.007","90","","1194","0.5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 S -","- C26 H23 N O6 S -","- C52 H46 N2 O12 S2 -","2","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","1.54187","CuKα","","0.0492","0.0466","","","0.1152","0.1166","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154265","10.418","0.006","14.443","0.007","17.001","0.008","90","","90.66","0.04","90","","2558","2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 B2 Li2 N2 O8 S2 -","- C46 H72 B2 Li2 N2 O8 S2 -","- C92 H144 B4 Li4 N4 O16 S4 -","2","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.7107","MoKα","","0.1114","0.0522","","","0.1198","0.14","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154276","19.9112","0.0005","4.5568","0.0002","21.2328","0.0006","90","","97.948","0.002","90","","1907.97","0.11","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-6-amino-8-(4-methoxystyryl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile","","- C20.5 H17 Cl N2 O4 -","- C20.5 H17 Cl N2 O4 -","- C82 H68 Cl4 N8 O16 -","4","2","","Adili, Alafate; Tao, Zhong-Lin; Chen, Dian-Feng; Han, Zhi-Yong","Quinine-catalyzed highly enantioselective cycloannulation of o-quinone methides with malononitrile.","Organic & biomolecular chemistry","2015","13","8","2247","2250","10.1039/c4ob02602k","","","1.54184","CuKα","","0.0562","0.0484","","","0.1371","0.1466","","","","","","1.054","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7154291","8.106","0.0012","10.5928","0.0016","14.983","0.002","90","","96.273","0.008","90","","1278.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Br N4 O6 S2 -","- C23 H27 Br N4 O6 S2 -","- C46 H54 Br2 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0599","0.0355","","","0.0799","0.0875","","","","","","0.993","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154293","7.7425","0.0004","10.0108","0.0006","13.8284","0.0008","90","","102.033","0.003","90","","1048.27","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C34 H52 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0364","0.0317","","","0.0785","0.0819","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154306","4.1231","0.0013","16.176","0.005","10.044","0.003","90","","94.086","0.007","90","","668.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O S -","- C16 H12 N2 O S -","- C32 H24 N4 O2 S2 -","2","1","","Qiu, Jing-Wen; Hu, Bo-Lun; Zhang, Xing-Guo; Tang, Ri-Yuan; Zhong, Ping; Li, Jin-Heng","Copper-catalyzed ring expansion of 2-aminobenzothiazoles with alkynyl carboxylic acids to 1,4-benzothiazines.","Organic & biomolecular chemistry","2015","13","10","3122","3127","10.1039/c4ob02467b","","","0.71073","MoKα","","0.0755","0.0746","","","0.1705","0.1711","","","","","","1.265","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154319","11.085","0.003","11.91","0.003","15.798","0.004","90","","103.025","0.018","90","","2032","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C42 H39 Br N3 O3 S -","- C42 H39 Br N3 O6 S -","- C84 H78 Br2 N6 O12 S2 -","2","1","","Chen, Jian-Ping; Chen, Wen-Wen; Li, Yi; Xu, Ming-Hua","A highly diastereoselective Friedel-Crafts reaction of indoles with isatin-derived N-sulfinyl ketimines towards the efficient synthesis of chiral tetrasubstituted 3-indolyl-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","11","3363","3370","10.1039/c5ob00063g","","","0.71073","MoKα","","0.1925","0.0992","","","0.2484","0.333","","","","","","0.956","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154320","8.0644","0.0006","11.5331","0.001","8.2552","0.0008","90","","95.154","0.005","90","","764.69","0.11","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O4 S -","- C14 H16 Br N O4 S -","- C28 H32 Br2 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0264","0.026","","","0.0656","0.0659","","","","","","1.166","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154322","8.1106","0.0016","15.869","0.003","13.458","0.003","90","","105.33","0.03","90","","1670.5","0.6","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0536","0.0481","","","0.0998","0.1043","","","","","","1.1","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154325","10.036","0.002","7.3432","0.0015","10.826","0.002","90","","111.23","0.03","90","","743.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C26 H42 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0278","0.0274","","","0.0668","0.0671","","","","","","1.076","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154327","8.116","0.002","14.954","0.005","13.474","0.004","90","","92.642","0.003","90","","1633.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0339","0.0324","","","0.0726","0.0735","","","","","","1.065","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154339","15.3219","0.0004","17.3301","0.0004","17.5462","0.0005","90","","110.858","0.003","90","","4353.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","3-(Hexylamino)-6-iodo-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H25 B F2 I N3 O -","- C22 H25 B F2 I N3 O -","- C176 H200 B8 F16 I8 N24 O8 -","8","4","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0483","0.0323","","","0.0602","0.0674","","","","","","1.057","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154345","10.903","0.004","8.978","0.003","13.171","0.005","90","","108.452","0.012","90","","1223","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl-1-allyl-3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-2-oxoindolin-3-ylcarbamate","","- C25 H25 N3 O5 -","- C25 H25 N3 O5 -","- C50 H50 N6 O10 -","2","1","","Kumar, Akshay; Sharma, Vivek; Kaur, Jasneet; Kumar, Naveen; Chimni, Swapandeep Singh","Maleimide as an efficient nucleophilic partner in the aza-Morita-Baylis-Hillman reaction: synthesis of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","20","5629","5635","10.1039/c5ob00182j","","","0.71073","MoKα","","0.1339","0.0702","","","0.167","0.2062","","","","","","0.973","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154365","7.053","0.004","7.478","0.004","24.426","0.014","90","","89.526","0.015","90","","1288.2","1.2","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O3 -","- C12 Br N O3 -","- C48 Br4 N4 O12 -","4","2","","Zhu, Yadong; Qian, Pengfei; Yang, Jiyang; Chen, Shaohua; Hu, Yanwei; Wu, Ping; Wang, Wei; Zhang, Wei; Zhang, Shilei","Organocatalytic enantioselective Michael addition of cyclic hemiacetals to nitroolefins: a facile access to chiral substituted 5- and 6-membered cyclic ethers.","Organic & biomolecular chemistry","2015","13","16","4769","4775","10.1039/c5ob00202h","","","0.7107","MoKα","","","0.0917","","","","0.0928","","","","","","8.877","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154369","13.568","0.015","7.443","0.007","19.72","0.02","90","","105.441","0.009","90","","1920","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 Cl N6 O11 -","- C34 H55 Cl N6 O11 -","- C68 H110 Cl2 N12 O22 -","2","1","","Aillard, Boris; Kilburn, Jeremy D.; Blaydes, Jeremy P.; Tizzard, Graham J.; Findlow, Stuart; Werner, Jörn M; Bloodworth, Sally","Synthesis and evaluation of a (3R,6S,9S)-2-oxo-1-azabicyclo[4.3.0]nonane scaffold as a mimic of Xaa-trans-Pro in poly-l-proline type II helix conformation.","Organic & biomolecular chemistry","2015","13","15","4562","4569","10.1039/c5ob00180c","","x-ray","0.6889","","","0.1527","0.0833","","","0.1667","0.2067","","","","","","0.954","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154371","10.9877","0.0018","10.2398","0.0016","12.339","0.002","90","","110.739","0.003","90","","1298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 Si -","- C24 H38 O6 Si -","- C48 H76 O12 Si2 -","2","1","","Shing, Tony K. M.; Cheng, Hau M.","Intramolecular direct aldol reactions of sugar 2,7-diketones: syntheses of hydroxylated cycloalka(e)nones.","Organic & biomolecular chemistry","2015","13","16","4795","4802","10.1039/c5ob00253b","","","0.71073","MoKα","","0.1071","0.0622","","","0.1516","0.1848","","","","","","1.008","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154377","7.9008","0.0016","9.2433","0.0018","12.558","0.003","90","","92.35","0.03","90","","916.3","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Li, Pei-Fang; Yi, Cheng-Bo; Qu, Jin","Hot water-promoted cyclopropylcarbinyl rearrangement facilitates construction of homoallylic alcohols.","Organic & biomolecular chemistry","2015","13","17","5012","5021","10.1039/c5ob00305a","","","0.71073","MoKα","","0.0546","0.0352","","","0.0798","0.0885","","","","","","0.941","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154380","8.5053","0.0003","18.3634","0.0005","14.5843","0.0004","90","","106.636","0.002","90","","2182.52","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N O5 -","- C26 H18 Cl N O5 -","- C104 H72 Cl4 N4 O20 -","4","2","","Molleti, Nagaraju; Singh, Vinod K.","Highly enantioselective synthesis of naphthoquinones and pyranonaphthoquinones catalyzed by bifunctional chiral bis-squaramides.","Organic & biomolecular chemistry","2015","13","18","5243","5254","10.1039/c5ob00105f","","","0.71073","MoKα","","0.0438","0.0329","","","0.0939","0.1062","","","","","","1.23","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154388","13.088","0.005","9.287","0.005","16.183","0.005","90","0.005","103.796","0.005","90","0.005","1910.3","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H46 O12 -","- C39 H46 O12 -","- C78 H92 O24 -","2","1","","Vibhute, Amol M.; Konieczny, Vera; Taylor, Colin W.; Sureshan, Kana M.","Triazolophostins: a library of novel and potent agonists of IP3 receptors.","Organic & biomolecular chemistry","2015","13","24","6698","6710","10.1039/c5ob00440c","","","0.71073","MoKα","","0.0788","0.065","","","0.1711","0.1905","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154390","9.0418","0.0019","11.277","0.002","12.649","0.003","90","","110.94","","90","","1204.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 -","- C31 H22 N4 -","- C62 H44 N8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0469","0.038","","","0.0949","0.1191","","","","","","0.511","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154393","8.981","0.0004","11.3115","0.0005","9.4917","0.0007","90","","112.099","0.007","90","","893.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0356","0.0352","","","0.0955","0.0962","","","","","","1.047","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154406","12.0486","0.0015","19.463","0.002","13.053","0.0016","90","","106.16","0.002","90","","2940","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 F N2 O6 -","- C33 H33 F N2 O6 -","- C132 H132 F4 N8 O24 -","4","2","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1289","0.1072","","","0.2579","0.2921","","","","","","1.134","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154413","9.807","0.005","22.782","0.011","10.81","0.005","90","","114.359","0.007","90","","2200.2","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O5 -","- C23 H22 Cl N O5 -","- C92 H88 Cl4 N4 O20 -","4","2","","Xue, Zhi-Yong; Song, Zhi-Min; Wang, Chun-Jiang","Cu(i)/TF-BiphamPhos-catalyzed asymmetric Michael addition of cyclic ketimino esters to alkylidene malonates.","Organic & biomolecular chemistry","2015","13","19","5460","5466","10.1039/c5ob00591d","","","0.71073","MoKα","","0.1441","0.0706","","","0.1427","0.1677","","","","","","1.038","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154419","10.907","0.0003","20.1115","0.0005","11.0941","0.0003","90","","99.508","0.003","90","","2400.13","0.11","180","0.14","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C108 H86 Cl4 F6 O6 P4 Pd2 S2 -","2","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","A general Pd-catalyzed α- and γ-benzylation of aldehydes for the formation of quaternary centers.","Organic & biomolecular chemistry","2015","13","22","6338","6343","10.1039/c5ob00702j","","","1.54184","CuKα","","0.063","0.0605","","","0.1619","0.1652","","","","","","1.059","","","","has coordinates,has disorder","138819","2020-10-21","18:00:00",""
"7154424","5.3827","0.0019","7.108","0.002","20.99","0.007","90","","97.301","0.006","90","","796.6","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl F4 N O2 -","- C15 H18 Cl F4 N O2 -","- C30 H36 Cl2 F8 N2 O4 -","2","1","","Ayoup, Mohammed Salah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine containing amino acids: synthesis and peptide coupling of amino acids containing the all-cis tetrafluorocyclohexyl motif.","Organic & biomolecular chemistry","2015","13","20","5621","5624","10.1039/c5ob00650c","","","1.54187","CuKα","","0.1193","0.0966","","","0.2465","0.2711","","","","","","0.978","","","","has coordinates","138832","2020-10-21","18:00:00",""
"7154441","5.9896","0.0001","11.3423","0.0002","11.1347","0.0002","90","","96.311","0.001","90","","751.86","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0543","0.0462","","","0.1014","0.1097","","","","","","1.061","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154459","8.772","0.006","7.482","0.004","9.64","0.006","90","","113.568","0.015","90","","579.9","0.6","566","2","566","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C20 H30 N2 O12 -","2","1","","Bai, Zhushuang; Ji, Ling; Ge, Zemei; Wang, Xin; Li, Runtao","Asymmetric Michael addition reactions of nitroalkanes to 2-furanones catalyzed by bifunctional thiourea catalysts.","Organic & biomolecular chemistry","2015","13","19","5363","5366","10.1039/c5ob00708a","","","1.54178","CuKα","","0.0424","0.0394","","","0.1053","0.1075","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154464","7.7588","0.0003","5.5583","0.0002","12.2776","0.0006","90","","97.98","0.002","90","","524.35","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol","","- C11 H19 N O -","- C11 H19 N O -","- C22 H38 N2 O2 -","2","1","","Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.","A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.","Organic & biomolecular chemistry","2015","13","28","7633","7642","10.1039/c5ob00525f","","","0.71073","MoKα","","0.0567","0.0445","","","0.1052","0.1097","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154487","8.8516","0.0003","9.08","0.0004","11.1409","0.0008","90","","108.971","0.008","90","","846.79","0.09","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Si, Debjani; Peczuh, Mark W.","Synthesis, structure and reactivity of [15]-macrodilactones.","Organic & biomolecular chemistry","2015","13","23","6463","6467","10.1039/c5ob00809c","","","1.54187","CuKα","","0.0296","0.0251","","","0.0597","0.0623","","","","","","1.066","","","","has coordinates","138853","2020-10-21","18:00:00",""
"7154494","4.709","0.0009","38.306","0.008","11.942","0.002","90","","90.36","0.03","90","","2154.1","0.7","120","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1008","0.084","","","0.2101","0.2231","","","","","","1.127","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154501","7.4874","0.0006","7.3181","0.0004","15.1101","0.0013","90","","103.139","0.005","90","","806.26","0.11","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0534","0.0454","","","0.1092","0.1164","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154507","9.835","0.004","10.412","0.004","10.568","0.004","90","","97.195","0.006","90","","1073.7","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B N O2 -","- C25 H30 B N O2 -","- C50 H60 B2 N2 O4 -","2","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.0909","0.0537","","","0.0798","0.0903","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154534","9.2098","0.0001","8.357","0.0001","14.8849","0.0002","90","","105.378","0.001","90","","1104.62","0.02","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C56 H56 N4 -","2","1","","Gong, Yu-Xin; Wu, Qiong; Zhang, Hong-Hao; Zhu, Qiu-Ning; Shi, Feng","Enantioselective construction of a 2,2'-bisindolylmethane scaffold via catalytic asymmetric reactions of 2-indolylmethanols with 3-alkylindoles.","Organic & biomolecular chemistry","2015","13","29","7993","8000","10.1039/c5ob00815h","","","1.54178","CuKα","","0.0446","0.044","","","0.1186","0.1193","","","","","","1.049","","","","has coordinates","153276","2020-10-21","18:00:00",""
"7154555","7.8734","0.0002","17.4148","0.0005","14.5347","0.0004","90","","91.013","0.003","90","","1992.59","0.09","125","30","125","30","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H38 N O15 -","- C43 H38 N4 O15 -","- C86 H76 N8 O30 -","2","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","","0.71073","MoKα","","0.0554","0.0454","","","0.1004","0.1087","","","","","","1.131","","","","has coordinates","204143","2020-10-21","18:00:00",""
"7154583","12.6814","0.0015","5.7264","0.0006","27.718","0.003","90","","99.174","0.005","90","","1987.1","0.4","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","2","","Veits, Gesine K.; Wenz, Donald R.; Palmer, Leoni I.; St Amant, André H; Hein, Jason E.; Read de Alaniz, Javier","Cascade rearrangement of furylcarbinols with hydroxylamines: practical access to densely functionalized cyclopentane derivatives.","Organic & biomolecular chemistry","2015","13","31","8465","8469","10.1039/c5ob00944h","","","0.71073","MoKα","","0.1211","0.0649","","","0.1268","0.1506","","","","","","1.001","","","","has coordinates","153268","2020-10-21","18:00:00",""
"7154600","10.412","0.003","7.85","0.003","17.427","0.006","90","","105.304","0.006","90","","1373.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C58 H82 N2 O4 Se2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0342","0.032","","","0.0835","0.0902","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154601","5.8067","0.0018","13.672","0.004","13.807","0.004","90","","90.852","0.006","90","","1096","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0302","0.0281","","","0.0747","0.0774","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154604","6.517","0.003","12.303","0.005","12.943","0.005","90","","100.402","0.007","90","","1020.7","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N O2 -","- C22 H35 N O2 -","- C44 H70 N2 O4 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0287","0.0278","","","0.0728","0.0739","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154611","10.2628","0.0005","8.9164","0.0004","18.5939","0.0009","90","","105.023","0.005","90","","1643.32","0.14","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H40 N O9 P S -","- C31 H40 N O9 P S -","- C62 H80 N2 O18 P2 S2 -","2","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.0738","0.0511","","0.0546","0.0436","0.0406","","","","","","1.153","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154622","10.2089","0.0008","6.5207","0.0006","13.9304","0.0011","90","","98.383","0.007","90","","917.43","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6aR,7S,10aS)-2-bromo-7-(4-chlorophenyl)-6a-nitro-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C38 H30 Br2 Cl2 N2 O8 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective cascade double Michael addition of 3-nitro-2H-chromenes and acyclic enones: efficient synthesis of functionalized tricyclic chroman derivatives.","Organic & biomolecular chemistry","2015","13","37","9600","9609","10.1039/c5ob01211b","","","1.54184","CuKα","","0.1151","0.0687","","","0.1488","0.1798","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154625","7.202","0.0009","39.014","0.004","13.9823","0.0017","90","","90.614","0.004","90","","3928.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H66 B2 N2 O2 -","- C43 H66 B2 N2 O2 -","- C172 H264 B8 N8 O8 -","4","2","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0855","0.0639","","","0.1648","0.1817","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154630","8.2681","0.0005","7.5543","0.0005","23.4201","0.0017","90","","96.148","0.003","90","","1454.4","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N O9 -","- C31 H33 N O9 -","- C62 H66 N2 O18 -","2","1","","Zhou, M.-J.; Bouazzaoui, S.; Jones, L. E.; Goodrich, P.; Bell, S. E. J.; Sheldrake, G. N.; Horton, P. N.; Coles, S. J.; Fletcher, N. C.","Isolation and structural determination of non-racemic tertiary cathinone derivatives.","Organic & biomolecular chemistry","2015","13","37","9629","9636","10.1039/c5ob01306b","","","0.71075","MoKα","","0.1535","0.0865","","","0.192","0.231","","","","","","1.037","","","","has coordinates","162181","2020-10-21","18:00:00",""
"7154631","6.306","0.004","8.935","0.006","13.518","0.009","90","","96.662","0.008","90","","756.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C28 H36 N4 O6 S2 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0672","0.0442","","","0.0982","0.104","","","","","","0.912","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154632","11.651","0.004","5.9117","0.0018","14.797","0.005","90","","96.518","0.004","90","","1012.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br2 F O4 -","- C20 H17 Br2 F O4 -","- C40 H34 Br4 F2 O8 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0514","0.0379","","","0.0932","0.0979","","","","","","1.051","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154635","3.7349","0.001","10.508","0.003","12.512","0.003","90","","96.366","0.004","90","","488","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H4 O3 S2 -","- C11 H4 O3 S2 -","- C22 H8 O6 S4 -","2","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0439","0.0417","","","0.1019","0.1035","","","","","","1.136","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154647","12.036","0.005","10.533","0.005","12.239","0.005","90","","94.749","0.01","90","","1546.3","1.2","100","2","100.15","","","","","","","","N/A","4","P 1 21 1","P 2yb","4","Fluoroalkene 11","3-?-(2?, 3?, 4?, 6?-?-Tetra-?-O-?-benzyl-?-α-?-D-?- galactopyranosyl)-?-3-?-R-?-fluoropropene","","- C37 H39 F O5 -","- C37 H39 F O5 -","- C74 H78 F2 O10 -","2","1","","Altiti, Ahmad S.; Bachan, S.; Alrowhani, W.; Mootoo, D. R.","An organocatalytic strategy for the stereoselective synthesis of C-galactosides with fluorine at the pseudoanomeric carbon.","Organic & biomolecular chemistry","2015","13","41","10328","10335","10.1039/c5ob01471a","","","0.71095","MoKα","","0.0928","0.0655","","","0.1604","0.1831","","","","","","0.9821","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7154685","9.528","0.003","7.509","0.002","11.706","0.004","90","","99.729","0.007","90","","825.5","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin; Cheng, Jin-Pei","Highly enantioselective Michael addition reactions of 2-substituted benzofuran-3(2H)-ones to nitroolefins.","Organic & biomolecular chemistry","2015","13","39","9943","9947","10.1039/c5ob01691f","","","0.71075","MoKα","","0.0225","0.0197","","","0.0366","0.0368","","","","","","0.874","","","","has coordinates","162155","2020-10-21","18:00:00",""
"7154689","9.1046","0.0002","10.2134","0.0002","19.7287","0.0005","90","","90.687","0.001","90","","1834.42","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C84 H84 N12 O6 -","6","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0421","0.0367","","","0.0841","0.0931","","","","","","0.959","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154705","6.1577","0.001","7.3665","0.0013","11.253","0.002","90","","91.935","0.005","90","","510.15","0.15","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-(thiophen-3-yl)-1,3-dihydro-2-benzofuran-1-one","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C24 H16 O4 S2 -","2","1","","Yohda, Masaaki; Yamamoto, Yasunori","Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.","Organic & biomolecular chemistry","2015","13","44","10874","10880","10.1039/c5ob01661d","","","0.71075","MoKα","","","0.0442","","","","0.1171","","","","","","0.997","","","","has coordinates","171339","2020-10-21","18:00:00",""
"7154709","13.4675","0.0016","10.3791","0.0012","13.7432","0.0016","90","","95.61","0.002","90","","1911.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","22-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0616","0.0532","","","0.1398","0.1496","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154710","13.5062","0.0016","10.3752","0.0012","13.7885","0.0016","90","","95.675","0.003","90","","1922.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","23-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0561","0.0517","","","0.135","0.139","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154711","13.4731","0.0013","10.3806","0.001","13.7581","0.0014","90","","95.674","0.002","90","","1914.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","24-H2O","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0586","0.0535","","","0.1419","0.1465","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154724","8.708","0.004","6.286","0.003","17.049","0.008","90","","92.583","0.007","90","","932.3","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Zhang, Chun-Lin; Wang, Dong-Ling; Chen, Kun-Quan; Ye, Song","N-Heterocyclic carbene-catalyzed [3 + 3] cyclocondensation of bromoenals with hydrazones: highly enantioselective synthesis of dihydropyridazones.","Organic & biomolecular chemistry","2015","13","46","11255","11262","10.1039/c5ob01748c","","","0.71073","MoKα","","0.0494","0.0452","","","0.1359","0.1396","","","","","","1.016","","","","has coordinates","171326","2020-10-21","18:00:00",""
"7154734","15.2618","0.0006","13.0327","0.0005","17.7452","0.0008","90","","108.078","0.0012","90","","3355.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 Cu N2 O3 -","- C40 H26 Cu N2 O5.5 -","- C160 H104 Cu4 N8 O22 -","4","2","","Naganawa, Yuki; Aoyama, Tomotaka; Nishiyama, Hisao","Cu(ii)-catalyzed enantioselective oxygen atom transfer from oxaziridine to oxindole derivatives with chiral phenanthroline.","Organic & biomolecular chemistry","2015","13","47","11499","11506","10.1039/c5ob01840d","","","0.71073","MoKa","","0.0603","0.0577","","","0.1798","0.1826","","","","","","1.507","","","","has coordinates","171350","2020-10-21","18:00:00",""
"7154737","5.8503","0.0009","11.3224","0.0012","24.444","0.004","90","","90.072","0.013","90","","1619.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N15 O2 -","- C30 H39 N15 O2 -","- C60 H78 N30 O4 -","2","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.1158","0.0719","","","0.1638","0.183","","","","","","0.926","","","","has coordinates","171341","2020-10-21","18:00:00",""
"7154763","5.9435","0.0004","12.4041","0.0008","16.5108","0.0011","90","","92.519","0.004","90","","1216.06","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O8 -","- C24 H26 N4 O8 -","- C48 H52 N8 O16 -","2","1","","Muthukumarasamy, Kalai Mangai; Handore, Kishor L.; Kakade, Dipti N.; Shinde, Madhuri V.; Ranjan, Shashi; Kumar, Naveen; Sehrawat, Seema; Sachidanandan, Chetana; Reddy, D. Srinivasa","Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays.","Organic & biomolecular chemistry","2016","14","5","1569","1578","10.1039/c5ob01594d","","","0.71073","MoKα","","0.0702","0.0545","","","0.1114","0.1181","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154774","5.008","0.002","8.002","0.004","17.346","0.008","90","","95.347","0.005","90","","692.1","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O7 -","- C11 H21 N O7 -","- C22 H42 N2 O14 -","2","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","0.71075","MoKα","","0.037","0.0332","","","0.0851","0.0877","","","","","","1.049","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154775","14.489","0.008","16.788","0.01","15.691","0.009","90","","97.627","0.009","90","","3783","4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C168 H192 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.1542","0.0674","","","0.1246","0.1585","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154776","14.6367","0.0004","17.6967","0.0004","15.064","0.0004","90","","94.45","0.002","90","","3890.13","0.17","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 F3 N6 O3 -","- C42 H45 F3 N6 O3 -","- C168 H180 F12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0788","0.0524","","","0.1087","0.1214","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154777","14.606","0.0004","18.7364","0.0005","14.7922","0.0004","90","","92.42","0.002","90","","4044.48","0.19","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 N6 O3 -","- C42 H45 Cl3 N6 O3 -","- C168 H180 Cl12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0717","0.049","","","0.0997","0.1088","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154778","14.5208","0.0002","19.0262","0.0003","14.9678","0.0002","90","","91.832","0.001","90","","4133.12","0.1","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 O3 -","- C42 H45 Br3 N6 O3 -","- C168 H180 Br12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0257","0.0255","","","0.0672","0.0674","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154788","9.1961","0.0006","9.1334","0.0006","17.5805","0.0011","90","","97.135","0.002","90","","1465.18","0.16","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 F4 O2 -","- C14 H22 F4 O2 -","- C56 H88 F16 O8 -","4","2","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","","0.0495","","","","0.1415","","","","","","1.058","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154790","7.7556","0.0012","10.679","0.0015","9.8996","0.0016","90","","107.033","0.004","90","","783.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C30 H50 N2 O6 -","2","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","0.0485","0.0478","","","0.1168","0.1176","","","","","","0.891","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154791","11.707","0.005","6.566","0.005","12.828","0.005","90","0","102.872","0.005","90","0","961.3","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0277","0.0274","","","0.0691","0.0695","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154792","10.585","0.005","6.81","0.005","13.05","0.005","90","0","109.415","0.005","90","0","887.2","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0266","0.0257","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154793","9.1914","0.0002","17.0779","0.0003","10.5669","0.0002","90","","98.692","0.002","90","","1639.63","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Monomethyl (S)-pyrrolidin-2-ylmethyl 3-bromobenzoate-(1R,2R)-1-(3,4,5-trimethoxyphenyl)-6,7-methylenedioxy-1,2-dihydronaphthalene-2,3-dicarboxylate amide ester","","- C35 H34 Br N O10 -","- C35 H34 Br N O10 -","- C70 H68 Br2 N2 O20 -","2","1","","Lisiecki, Kamil; Krawczyk, Krzysztof K.; Roszkowski, Piotr; Maurin, Jan K.; Czarnocki, Zbigniew","Formal synthesis of (-)-podophyllotoxin through the photocyclization of an axially chiral 3,4-bisbenzylidene succinate amide ester - a flow photochemistry approach.","Organic & biomolecular chemistry","2015","14","2","460","469","10.1039/c5ob01844g","","","1.54184","CuKα","","0.0822","0.059","","","0.1468","0.1643","","","","","","1.032","","","","has coordinates","176143","2020-10-21","18:00:00",""
"7154811","9.547","0.003","7.151","0.0019","12.171","0.003","90","","111.479","0.003","90","","773.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C34 H40 Cl2 N2 -","2","1","","Chen, Yunwei; Sun, Xiang; Wu, Ningjie; Li, Jingbai; Jin, Shengnan; Zhong, Yongliang; Liu, Zirui; Rogachev, Andrey; Chong, Hyun-Soon","Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions.","Organic & biomolecular chemistry","2016","14","3","920","939","10.1039/c5ob01692d","","","0.71073","MoKα","","0.0322","0.0293","","","0.0702","0.0722","","","","","","1.03","","","","has coordinates","176165","2020-10-21","18:00:00",""
"7154837","6.5458","0.0001","8.4459","0.0002","13.2079","0.0003","90","","99.9683","0.0009","90","","719.18","0.03","150","","150","","","","","","","","syn","3","P 1 21 1","P 2yb","4","","","","- C19 H21 N -","- C19 H21 N -","- C38 H42 N2 -","2","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0335","0.0314","","0.0803","0.077","0.0803","","","","","","0.9287","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154845","5.8682","0.0004","15.5218","0.0014","14.1795","0.0013","90","","92.445","0.001","90","","1290.36","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 O2 P S -","- C31 H37 O2 P S -","- C62 H74 O4 P2 S2 -","2","1","","Yao, Lan; Liu, Li-Juan; Xu, Zhong-Yuan; Nie, Shao-Zhen; Xiao, Xiao-Qing; Zhao, Chang-Qiu","Variable mechanism of nucleophilic substitution of P-stereogenic phosphoryl chloride with alkynyl metallic reagents.","Organic & biomolecular chemistry","2016","14","5","1702","1706","10.1039/c5ob01871d","","","0.71073","MoKα","","0.2086","0.1142","","","0.2511","0.3049","","","","","","0.919","","","","has coordinates","176178","2020-10-21","18:00:00",""
"7154872","9.9116","0.0019","24.089","0.004","12.239","0.002","90","","95.877","0.003","90","","2906.8","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-Cbz-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val)2 (Serine-hydroxy)-Dilactone Disulfide","","- C52 H74 N8 O16 S2 -","- C52 H74 N8 O16 S2 -","- C104 H148 N16 O32 S4 -","2","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.1015","0.0604","","","0.0976","0.1139","","","","","","1.079","","","","has coordinates,has disorder","176167","2020-10-21","18:00:00",""
"7154876","9.1585","0.0003","15.4867","0.0004","15.0435","0.0004","90","","107.598","0.003","90","","2033.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0675","0.047","","","0.1211","0.1394","","","","","","1.097","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154891","12.5236","0.0003","7.538","0.0002","12.9539","0.0003","90","","92.676","0.002","90","","1221.55","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0556","0.0482","","","0.1157","0.123","","","","","","1.037","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154892","13.1356","0.0002","7.0352","0.0001","14.6189","0.0002","90","","112.865","0.0008","90","","1244.81","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0546","0.0474","","","0.1106","0.13","","","","","","1.28","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154896","12.1784","0.0003","10.455","0.0002","22.4818","0.0004","90","","99.8798","0.0018","90","","2820.05","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H88 O11 Si -","- C55 H88 O11 Si -","- C110 H176 O22 Si2 -","2","1","","Zhang, Wenxuan; Wu, Jun; Li, Bo; Wu, Hongna; Wang, Liu; Hao, Jie; Wu, Song; Zhou, Qi","Structure-activity & structure-toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives.","Organic & biomolecular chemistry","2016","14","10","2840","2845","10.1039/c5ob02303c","","x-ray","1.54184","CuKα","","0.0541","0.0447","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates","177910","2020-10-21","18:00:00",""
"7154914","14.2003","0.0003","7.6452","0.0002","17.2049","0.0004","90","","113.49","0.001","90","","1713.05","0.07","100.15","","100.15","","","","","","","","Synthesized by the authors. See text.","4","P 1 21 1","P 2yb","4","","","","- C40 H35 N3 O10 -","- C40 H35 N3 O10 -","- C80 H70 N6 O20 -","2","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.54178","CuKα","","0.0693","0.0555","","","0.1381","0.1437","","","","","","0.974","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154916","9.1243","0.0003","11.1741","0.0003","13.3627","0.0005","90","","103.947","0.0013","90","","1322.24","0.08","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4bS,4b1S,6R,7S,7aR,12bS)-7-(benzyloxy)-6-((benzyloxy)methyl)-4b1,6,7,7a,12b,13-hexahydro-4bH-benzo[h]chromeno[2,3,4-de]chromene","","- C33 H31 N O4 -","- C33 H31 N O4 -","- C66 H62 N2 O8 -","2","1","","Moshapo, Paseka T.; Sokamisa, Mokela; Mmutlane, Edwin M.; Mampa, Richard M.; Kinfe, Henok H.","A convenient domino Ferrier rearrangement-intramolecular cyclization for the synthesis of novel benzopyran-fused pyranoquinolines.","Organic & biomolecular chemistry","2016","14","24","5627","5638","10.1039/c5ob02536b","","","0.71073","MoKα","","0.0554","0.0404","","","0.0949","0.106","","","","","","1.097","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154922","9.834","0.0009","8.999","0.0008","14.7646","0.0014","90","","106.422","0.0014","90","","1253.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 I N O6 -","- C27 H26 I N O6 -","- C54 H52 I2 N2 O12 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0352","0.0281","","","0.059","0.0626","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154923","6.5131","0.0013","16.581","0.003","8.9446","0.0018","90","","95.961","0.003","90","","960.7","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N O5 -","- C17 H22 I N O5 -","- C34 H44 I2 N2 O10 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.048","0.0374","","","0.0725","0.0765","","","","","","0.964","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154973","8.3369","0.0004","20.8048","0.001","8.5721","0.0004","90","","112.222","0.003","90","","1376.38","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 N2 O5 Pd S -","- C27 H30 Br2 N2 O5 Pd S -","- C54 H60 Br4 N4 O10 Pd2 S2 -","2","1","","Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.","Organic & biomolecular chemistry","2016","14","11","3159","3169","10.1039/c6ob00107f","","","0.71073","MoKα","","0.0308","0.0262","","","0.0574","0.0592","","","","","","1.025","","","","has coordinates,has disorder","181790","2020-10-21","18:00:00",""
"7154981","8.2334","0.0004","12.873","0.0006","11.1784","0.0005","90","","107.114","0.002","90","","1132.32","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2 R ,3 S )-Methyl 1'-benzyl-3-(4-nitrophenyl)-2',5-dioxo-4,5 -dihydro-3H-spiro[furan-2,3'- indoline]-3-carboxylate","","- C26 H20 N2 O7 -","- C26 H20 N2 O7 -","- C52 H40 N4 O14 -","2","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0544","0.0376","","","0.0644","0.0653","","","","","","1.899","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154986","7.5827","0.0003","5.8864","0.0003","14.3622","0.0007","90","","93.408","0.004","90","","639.92","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 B N -","- C18 H14 B N -","- C36 H28 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0355","0.0343","","","0.0941","0.0957","","","","","","1.045","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154989","7.44538","0.00009","7.11221","0.00008","15.95865","0.00019","90","","94.8062","0.0011","90","","842.089","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0303","0.0296","","","0.0805","0.0811","","","","","","1.042","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154996","12.3871","0.0001","10.734","0.0001","12.8666","0.0001","90","","103.68","","90","","1662.25","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0375","0.0368","","","0.0991","0.1004","","","","","","0.947","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154997","9.7007","0.0002","6.2228","0.0001","13.9225","0.0003","90","","101.87","0.001","90","","822.47","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0851","0.0836","","","0.2171","0.219","","","","","","1.104","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7155002","9.3775","0.0007","11.0241","0.0008","9.5231","0.0006","90","","110.422","0.004","90","","922.61","0.11","","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","pyrido[1,2,a]indole","(4-fluorophenyl)(10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl)methanone","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Dawande, Sudam Ganpat; Lad, Bapurao Sudam; Prajapati, Sunitkumar; Katukojvala, Sreenivas","Rhodium-catalyzed pyridannulation of indoles with diazoenals: a direct approach to pyrido[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5569","5573","10.1039/c6ob00360e","","","0.71073","MoKα","","0.0639","0.0603","","","0.1746","0.1797","","","","","","1.1402","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7155031","8.0511","0.001","13.583","0.016","9.587","0.011","90","","109.73","0.019","90","","986.9","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 N O S -","- C25 H20 N O S -","- C50 H40 N2 O2 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.","Stereoselective synthesis of thiazino[4,3-a]indoles using the thia-Pictet-Spengler reaction of indoles bearing N-tethered thiols and vinylogous thiocarbonates.","Organic & biomolecular chemistry","2016","14","24","5586","5590","10.1039/c6ob00501b","","","0.71075","MoKα","","0.0952","0.0867","","","0.2299","0.2389","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155039","7.6207","0.0007","12.3266","0.0012","11.1367","0.0011","90","","101.726","0.002","90","","1024.32","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O2 -","- C10 H13 N3 O2 -","- C40 H52 N12 O8 -","4","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0407","0.035","","","0.0883","0.0902","","","","","","1.004","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155042","8.2836","0.0009","10.3728","0.0011","19.708","0.003","90","","91.303","0.012","90","","1693","0.4","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 S -","- C18 H22 O3 S -","- C72 H88 O12 S4 -","4","2","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.1001","0.0801","","","0.199","0.2265","","","","","","1.072","","","","has coordinates,has disorder","183753","2020-10-21","18:00:00",""
"7155043","10.664","0.0007","9.233","0.0006","11.347","0.0007","90","","96.158","0.006","90","","1110.79","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0529","0.042","","","0.093","0.1015","","","","","","1.045","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155046","9.8624","0.0006","8.7885","0.0005","10.6755","0.0006","90","","102.966","0.005","90","","901.71","0.09","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14S,15R)-14-deoxyoxacyclododecindione","","- C18 H23 Cl O6 -","- C18 H23 Cl O6 -","- C36 H46 Cl2 O12 -","2","1","","Tauber, Johannes; Rohr, Markus; Walter, Thorsten; Schollmeyer, Dieter; Rahn-Hotze, Karin; Erkel, Gerhard; Opatz, Till","A surprising switch in absolute configuration of anti-inflammatory macrolactones.","Organic & biomolecular chemistry","2016","14","15","3695","3698","10.1039/c6ob00430j","","","0.71073","MoKα","","0.069","0.0449","","","0.1022","0.126","","","","","","1.092","","","","has coordinates","182782","2020-10-21","18:00:00",""
"7155048","11.493","0.002","17.104","0.003","18.432","0.004","90","","103.96","0.03","90","","3516.3","1.2","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N4 O9 -","- C32 H52 N4 O9 -","- C128 H208 N16 O36 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0576","0.0527","","","0.1268","0.1299","","","","","","0.943","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155049","20.9","0.004","12.965","0.003","23.973","0.005","90","","100.04","0.03","90","","6396","2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H104 N8 O14 -","- C58 H104 N8 O14 -","- C232 H416 N32 O56 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0645","0.0632","","","0.1738","0.1757","","","","","","1.023","","","","has coordinates,has disorder","182790","2020-10-21","18:00:00",""
"7155053","8.431","0.002","12.486","0.003","10.251","0.003","90","","90.558","0.005","90","","1079.1","0.5","293","","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0499","0.041","","","0.0925","0.0957","","","","","","0.948","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155073","8.7753","0.0001","21.3925","0.0002","12.0847","0.0001","90","","107.293","0.0012","90","","2166.06","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C72 H114 N6 O24 S6 -","6","3","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Tirfoin, Rémi; Moloney, Mark G.","Chemoselectivity and stereoselectivity of cyclisation pathways leading to bicyclic tetramates controlled by ring-chain tautomerisation in thiazolidines.","Organic & biomolecular chemistry","2016","14","19","4464","4478","10.1039/c6ob00557h","","","1.5418","CuKα","","0.0293","0.0283","","0.0734","0.0723","0.0734","","","","","","0.9994","","","","has coordinates","183785","2020-10-21","18:00:00",""
"7155083","5.813","0.009","9.696","0.014","11.51","0.02","90","","97.53","0.05","90","","643.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0757","0.0604","","","0.139","0.1454","","","","","","1.03","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155089","5.808","0.0007","29.856","0.004","9.5397","0.0011","90","","90.185","0.007","90","","1654.2","0.4","296","2","296","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","triazolyl","triazolyl","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","2","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.0881","0.0478","","","0.0913","0.1066","","","","","","0.989","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155111","10.5253","0.0007","19.4986","0.0012","15.3673","0.001","90","","90.034","0.002","90","","3153.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N2 O2 -","- C38 H42 N2 O2 -","- C152 H168 N8 O8 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.154","0.137","","","0.3205","0.3306","","","","","","1.081","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155122","9.4639","0.0006","18.9173","0.0012","12.0648","0.0008","90","","103.506","0.001","90","","2100.2","0.2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl F3 N2 O3 -","- C18 H16 Cl F3 N2 O3 -","- C72 H64 Cl4 F12 N8 O12 -","4","2","","Zhou, Ding; Yu, Xueting; Zhang, Jian; Wang, Wei; Xie, Hexin","Organocatalytic asymmetric addition of alcohols to cyclic trifluoromethyl ketimines: highly enantioselective synthesis of chiral N,O-ketals.","Organic & biomolecular chemistry","2016","14","26","6193","6196","10.1039/c6ob00890a","","","0.71073","MoKα","","0.0665","0.0564","","","0.1572","0.1661","","","","","","1.058","","","","has coordinates","185632","2020-10-21","18:00:00",""
"7155127","11.689","0.002","17.969","0.004","12.35","0.003","90","","90.44","0.03","90","","2593.9","1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,E)-tert-butyl 3-(4-bromobenzylidene)-4-((S)-1-(4-methoxyphenyl)-2-nitroethyl)-2,5-dioxopyrrolidine-1-carboxylate","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","2","","Zhao, Bo-Liang; Zhang, Dongxiang; Liu, Lei; Du, Da-Ming","Organocatalytic asymmetric Michael addition of α-alkylidene succinimides to nitrostyrenes.","Organic & biomolecular chemistry","2016","14","26","6337","6345","10.1039/c6ob00711b","","","0.71073","MoKα","","0.0632","0.053","","","0.1486","0.1722","","","","","","1.098","","","","has coordinates","185628","2020-10-21","18:00:00",""
"7155128","8.1994","0.0005","5.9821","0.0004","13.9212","0.0009","90","","93.572","0.006","90","","681.5","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 N2 O4 -","- C12 H13 F3 N2 O4 -","- C24 H26 F6 N4 O8 -","2","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0639","0.0547","","","0.1551","0.1662","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155146","10.6209","0.0017","10.0531","0.0016","10.7441","0.0018","90","","97.548","0.004","90","","1137.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F N O3 S -","- C23 H28 F N O3 S -","- C46 H56 F2 N2 O6 S2 -","2","1","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0586","0.0511","","","0.1168","0.1222","","","","","","1.026","","","","has coordinates,has disorder","185637","2020-10-21","18:00:00",""
"7155151","6.49177","0.00015","15.0859","0.0003","7.43648","0.00019","90","","104.76","0.002","90","","704.25","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2?-N,4?-C-(Aminosulfonylmethylene)thymidine","","- C11 H17 N3 O8 S -","- C11 H17 N3 O8 S -","- C22 H34 N6 O16 S2 -","2","1","","Mitsuoka, Yasunori; Aoyama, Hiroshi; Kugimiya, Akira; Fujimura, Yuko; Yamamoto, Tsuyoshi; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Hari, Yoshiyuki; Obika, Satoshi","Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.","Organic & biomolecular chemistry","2016","14","27","6531","6538","10.1039/c6ob01051b","","","1.54187","CuKα","","0.0287","0.0272","","","0.0705","0.0723","","","","","","1.071","","","","has coordinates","185638","2020-10-21","18:00:00",""
"7155182","10.6347","0.0007","5.7454","0.0004","25.1891","0.0015","90","","94.578","0.002","90","","1534.16","0.17","293","2","293","2","","","","","","","man made","5","P 1 21 1","P 2yb","4","no","Dimethyl-2-(1-(4-bromophenyl)allyl)-2-fluoromalonate","","- C14 H14 Br F O4 -","- C14 H14 Br F O4 -","- C56 H56 Br4 F4 O16 -","4","2","","Zhang, Hongbo; Chen, Jiteng; Zhao, Xiao-Ming","Enantioselective synthesis of fluorinated branched allylic compounds via Ir-catalyzed allylations of functionalized fluorinated methylene derivatives.","Organic & biomolecular chemistry","2016","14","30","7183","7186","10.1039/c6ob01246a","","","1.54178","CuKα","","0.0545","0.0519","","","0.1461","0.1493","","","","","","1.056","","","","has coordinates","185625","2020-10-21","18:00:00",""
"7155208","4.9191","0.0002","6.2146","0.0002","13.1151","0.0006","90","","95.211","0.002","90","","399.27","0.03","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","5-bromo-4-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C14 H6 Br2 F2 N2 O6 -","2","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0709","0.0658","","","0.1519","0.1575","","","","","","1.088","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155213","10.8827","0.0002","7.0798","0.0002","15.4121","0.0003","90","","100.53","0.0012","90","","1167.47","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N4 -","- C12 H9 Br N4 -","- C48 H36 Br4 N16 -","4","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0621","0.0522","","","0.1052","0.1128","","","","","","1.039","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155218","14.189","0.003","10.9261","0.0018","14.233","0.003","90","","93.14","0.005","90","","2203.2","0.8","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C94 H66 Br4 Cl6 N4 O12 S4 -","4","2","","Stark, Daniel G.; Young, Claire M.; O'Riordan, Timothy J C; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective isothiourea-catalysed trans-dihydropyridinone synthesis using saccharin-derived ketimines: scope and limitations.","Organic & biomolecular chemistry","2016","14","34","8068","8073","10.1039/c6ob01473a","","","0.71075","MoKα","","0.0565","0.0465","","","0.1089","0.1125","","","","","","0.918","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155225","8.7998","0.0004","13.332","0.0006","12.0001","0.0006","90","","110.314","0.006","90","","1320.28","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0564","0.0434","","","0.0972","0.104","","","","","","1.059","","","","has coordinates","186488","2020-10-21","18:00:00",""
"7155235","13.9411","0.0012","17.726","0.001","14.8278","0.001","90","","109.535","0.009","90","","3453.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H49 N3 O3 P -","- C33 H49 N3 O3 P -","- C132 H196 N12 O12 P4 -","4","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","1.54178","CuKα","","0.1071","0.0858","","","0.2281","0.2522","","","","","","1.038","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155236","13.218","0.002","16.657","0.003","16.344","0.003","90","","92.527","0.003","90","","3595","1.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H32 Br N5 O3 -","- C43 H32 Br N5 O3 -","- C172 H128 Br4 N20 O12 -","4","2","","Xie, Jin; Xing, Xiao-Yu; Sha, Feng; Wu, Zhi-Yan; Wu, Xin-Yan","Enantioselective synthesis of spiro[indoline-3,4'-pyrano[2,3-c]pyrazole] derivatives via an organocatalytic asymmetric Michael/cyclization cascade reaction.","Organic & biomolecular chemistry","2016","14","35","8346","8355","10.1039/c6ob01256f","","","0.71073","MoKα","","0.1338","0.0474","","","0.0811","0.1057","","","","","","0.866","","","","has coordinates","186475","2020-10-21","18:00:00",""
"7155238","11.998","0.003","8.74","0.002","18.751","0.005","90","","104.393","0.006","90","","1904.6","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14R,16R,E)-16-(tert-butyl)-14-methyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","2","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.1626","0.0701","","","0.1336","0.1757","","","","","","0.987","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155240","10.866","0.005","5.196","0.002","18.617","0.01","90","","106.703","0.011","90","","1006.8","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6S,7S,8R)-8-Butyl-7-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Gallantree-Smith, Harrison C; Antonsen, Simen G.; Görbitz, Carl H; Hansen, Trond V.; Nolsøe, Jens M J; Stenstrøm, Yngve H","Total synthesis based on the originally claimed structure of mucosin.","Organic & biomolecular chemistry","2016","14","36","8433","8437","10.1039/c6ob01511e","","","0.71073","MoKα","","0.1009","0.0854","","","0.215","0.2246","","","","","","1.033","","","","has coordinates,has disorder","187190","2020-10-21","18:00:00",""
"7155248","9.2919","0.0004","11.041","0.0005","19.247","0.001","90","","100.12","0.0016","90","","1943.86","0.16","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H50 Cl3 N5 O8 -","- C30 H50 Cl3 N5 O8 -","- C60 H100 Cl6 N10 O16 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1096","0.0638","","","0.169","0.1975","","","","","","1.019","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155250","10.7226","0.0016","10.6558","0.0017","21.682","0.003","90","","91.429","0.005","90","","2476.6","0.6","250","2","250.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 N6 O11 -","- C38 H62 N6 O11 -","- C76 H124 N12 O22 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1625","0.0696","","","0.1443","0.1673","","","","","","0.792","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155262","7.1086","0.0014","6.9376","0.0014","12.442","0.003","90","","94.573","0.003","90","","611.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C26 H26 Cl2 O6 -","2","1","","Subba Reddy, B. V.; Biradar, Dhanraj O.; Vikram Reddy, Y.; Yadav, J. S.; Singarapu, Kiran Kumar; Sridhar, B.","Substitution dependent stereoselective construction of bicyclic lactones and its application to the total synthesis of pyranopyran, tetraketide and polyrhacitide A.","Organic & biomolecular chemistry","2016","14","37","8832","8837","10.1039/c6ob01686c","","","0.71073","MoKα","","0.0535","0.0418","","","0.0965","0.104","","","","","","1.013","","","","has coordinates","188298","2020-10-21","18:00:00",""
"7155274","12.8359","0.0008","4.9611","0.0002","26.202","0.0019","90","","97.21","0.006","90","","1655.35","0.17","130","0.2","130","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4R,5R)-5-Hydroxy-3-oxo-4-(pent-4-enyl)eicosan-2-yl","","- C33 H56 O5 -","- C33 H56 O5 -","- C66 H112 O10 -","2","1","","van der Peet, Phillip L.; Nagata, Masahiro; Shah, Sayali; White, Jonathan M.; Yamasaki, Sho; Williams, Spencer J.","Lipid structure influences the ability of glucose monocorynomycolate to signal through Mincle.","Organic & biomolecular chemistry","2016","14","39","9267","9277","10.1039/c6ob01781a","","","1.5418","CuKα","","0.0865","0.0658","","","0.1806","0.2006","","","","","","1.006","","","","has coordinates","188279","2020-10-21","18:00:00",""
"7155286","12.0073","0.0004","5.9225","0.0002","13.6415","0.0004","90","","109.584","0.001","90","","913.97","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","K071","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Khan, Ismat Ullah; Kattela, Shivashankar; Hassan, Abbas; Correia, Carlos Roque Duarte","Enantioselective total synthesis of the highly selective sphingosine-1-receptor VPC01091 by the Heck desymmetrization of a non-activated cyclopentene-fused spiro-pyrrolidinone.","Organic & biomolecular chemistry","2016","14","40","9476","9480","10.1039/c6ob01892k","","","1.54178","CuKα","","0.0402","0.0402","","","0.098","0.0981","","","","","","1.089","","","","has coordinates,has disorder","188304","2020-10-21","18:00:00",""
"7155307","13.729","0.002","8.3619","0.0009","14.594","0.003","90","","114.96","0.02","90","","1518.9","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H55 N O Se -","- C35 H55 N O Se -","- C70 H110 N2 O2 Se2 -","2","1","","Sidoryk, Katarzyna; Rárová, Lucie; Oklešťková, Jana; Pakulski, Zbigniew; Strnad, Miroslav; Cmoch, Piotr; Luboradzki, Roman","Synthesis of 28a-homoselenolupanes and 28a-homoselenolupane saponins.","Organic & biomolecular chemistry","2016","14","43","10238","10248","10.1039/c6ob01938b","","","1.54184","CuKα","","0.1157","0.0895","","","0.228","0.2644","","","","","","1.046","","","","has coordinates","188293","2020-10-21","18:00:00",""
"7155310","10.8601","0.0016","56.18","0.008","10.8603","0.0016","90","","114.63","0.001","90","","6023.2","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H35 N O6 -","- C37 H35 N O6 -","- C296 H280 N8 O48 -","8","4","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.0312","0.0309","","","0.0783","0.0786","","","","","","1.074","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155323","9.033","0.0005","9.8048","0.0007","12.0153","0.0007","90","","90.156","0.005","90","","1064.15","0.11","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","0.71073","MoKα","","0.0427","0.0362","","","0.0822","0.0857","","","","","","1.048","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155377","6.89706","0.00006","13.34116","0.00017","9.5759","0.00011","90","","94.1494","0.0009","90","","878.815","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0353","0.0343","","","0.0908","0.0927","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155378","6.71157","0.00009","12.95291","0.00017","20.1272","0.0002","90","","97.8329","0.0011","90","","1733.42","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-5-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0506","0.0484","","","0.1327","0.1378","","","","","","1.045","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155379","13.6989","0.0005","7.5129","0.0002","15.8965","0.0005","90","","103.187","0.003","90","","1592.9","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0695","0.0659","","","0.1684","0.1761","","","","","","1.067","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155382","6.71457","0.00006","12.74183","0.00011","19.91482","0.00019","90","","98.6786","0.0009","90","","1684.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0435","0.0411","","","0.1214","0.1225","","","","","","1.129","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155383","13.67692","0.00013","7.47473","0.00008","15.84227","0.00018","90","","103.335","0.001","90","","1575.91","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-6-((3S,4S,5S)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0504","0.0492","","","0.1308","0.1328","","","","","","1.027","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155384","6.89663","0.00007","13.34364","0.00017","9.58347","0.00009","90","","94.1421","0.0009","90","","879.626","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-6-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0473","0.0464","","","0.1191","0.1208","","","","","","1.057","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155395","10.6177","0.0006","12.3153","0.0007","22.9275","0.0013","90","","91.573","0.004","90","","2996.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H80 O12 Si2 -","- C60 H80 O12 Si2 -","- C120 H160 O24 Si4 -","2","1","","Bandara, Mithila D.; Yasomanee, Jagodige P.; Rath, Nigam P.; Pedersen, Christian M.; Bols, Mikael; Demchenko, Alexei V.","Conformationally superarmed S-ethyl glycosyl donors as effective building blocks for chemoselective oligosaccharide synthesis in one pot.","Organic & biomolecular chemistry","2017","15","3","559","563","10.1039/c6ob02498j","","","0.71073","MoKα","","0.1417","0.0616","","","0.1338","0.1714","","","","","","1.017","","","","has coordinates,has disorder","191745","2020-10-21","18:00:00",""
"7155408","11.0208","0.0008","5.0952","0.0004","14.7276","0.0011","90","","103.403","0.006","90","","804.48","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl F6 N2 O6 -","- C10 H17 Cl F6 N2 O6 -","- C20 H34 Cl2 F12 N4 O12 -","2","1","","Kondratov, Ivan S.; Logvinenko, Ivan G.; Tolmachova, Nataliya A.; Morev, Roman N.; Kliachyna, Maria A.; Clausen, Florian; Daniliuc, Constantin G.; Haufe, Günter","Synthesis and physical chemical properties of 2-amino-4-(trifluoromethoxy)butanoic acid - a CF3O-containing analogue of natural lipophilic amino acids.","Organic & biomolecular chemistry","2017","15","3","672","679","10.1039/c6ob02436j","","","1.54178","CuKα","","0.1253","0.0918","","","0.1578","0.169","","","","","","1.191","","","","has coordinates","191741","2020-10-21","18:00:00",""
"7155411","4.3644","0.0003","15.4436","0.001","7.821","0.0006","90","","99.674","0.005","90","","519.66","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H8 Br2 -","- C11 H8 Br2 -","- C22 H16 Br4 -","2","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0451","0.0419","","","0.1405","0.1476","","","","","","0.671","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155431","5.5345","0.0009","10.8618","0.0018","14.707","0.002","90","","99.962","0.007","90","","870.8","0.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O7 -","- C16 H17 Br O7 -","- C32 H34 Br2 O14 -","2","1","","Li, Ji-Yao; Yu, Ke-Wei; Xie, Chao-Chao; Liu, Yan-Kai","Lactols in an asymmetric aldol-desymmetrization sequence: access to tetrahydro-4H-furo[2,3-b]pyran-2-one and tetrahydro-4H-furo[2,3-b]furan-2-one derivatives.","Organic & biomolecular chemistry","2017","15","6","1407","1417","10.1039/c6ob02420c","","","1.54184","CuKα","","0.041","0.0392","","","0.1042","0.1058","","","","","","1.053","","","","has coordinates","193894","2020-10-21","18:00:00",""
"7155434","11.734","0.005","7.397","0.005","12.645","0.005","90","0.005","107.317","0.005","90","0.005","1047.8","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0809","0.0591","","","0.1732","0.1932","","","","","","1.049","","","","has coordinates,has disorder","191748","2020-10-21","18:00:00",""
"7155448","6.0454","0.0006","14.0347","0.0014","7.1416","0.0008","90","","101.033","0.003","90","","594.73","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O7 -","- C10 H13 N O7 -","- C20 H26 N2 O14 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1675","0.1101","","","0.2694","0.3029","","","","","","1.062","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155449","8.1774","0.0004","8.2158","0.0003","15.0345","0.0007","90","","98.231","0.002","90","","999.67","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 Si -","- C19 H27 N O6 Si -","- C38 H54 N2 O12 Si2 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0621","0.0635","","","","","","1.055","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155450","8.2084","0.0014","5.2477","0.0008","24.351","0.004","90","","90.768","0.005","90","","1048.8","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C48 H36 N4 O20 -","4","2","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1589","0.1518","","","0.3679","0.3717","","","","","","1.159","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155454","12.2397","0.0002","7.42711","0.00013","12.5508","0.0002","90","","104.05","0.001","90","","1106.8","0.03","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3,3-dimethyl-2-((S)-4-((E)-styryl)-1-tosylpyrrolidin-3-ylidene)butanenitrile","","- C9 H13 N3 O5 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Amako, Yuka; Arai, Shigeru; Nishida, Atsushi","Transfer of axial chirality through the nickel-catalysed hydrocyanation of chiral allenes.","Organic & biomolecular chemistry","2017","15","7","1612","1617","10.1039/c7ob00047b","","","1.54187","CuKα","","0.0558","0.0403","","","0.0817","0.0971","","","","","","1.087","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155461","7.993","0.004","12.54","0.005","10.604","0.004","90","","102.751","0.008","90","","1036.7","0.8","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(6-Methoxybenzofuran-2-yl)-2-nitroethanol","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","2","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","0.71073","MoKα","","0.0865","0.0657","","","0.1411","0.1532","","","","","","1.015","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155479","9.785","0.002","11.295","0.002","11.879","0.002","90","","97.63","0.03","90","","1301.3","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","2","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0449","0.0438","","","0.1073","0.1085","","","","","","1.071","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155480","7.4743","0.0015","9.2516","0.0019","10.829","0.002","90","","92.25","0.03","90","","748.2","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C30 H32 N4 O12 -","2","1","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0327","0.0322","","","0.0845","0.0853","","","","","","1.055","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155486","9.02","0.004","10.237","0.004","9.318","0.004","90","","117.399","0.006","90","","763.9","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Mukherjee, Subrata; Joseph, Sumi; Bhunia, Anup; Gonnade, Rajesh G.; Yetra, Santhivardhana Reddy; Biju, Akkattu T.","Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of enals with 3-hydroxy oxindoles.","Organic & biomolecular chemistry","2017","15","9","2013","2019","10.1039/c7ob00148g","","","0.71073","MoKα","","0.0691","0.0457","","","0.1121","0.135","","","","","","1.122","","","","has coordinates","193908","2020-10-21","18:00:00",""
"7155496","9.5475","0.0013","4.7592","0.0005","12.4973","0.0018","90","","103.477","0.013","90","","552.22","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.0629","0.0454","","","0.0953","0.1085","","","","","","1.01","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155506","8.496","0.006","11.107","0.008","9.921","0.007","90","","95.155","0.012","90","","932.4","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Li, X.; Reeder, A. T.; Torri, F.; Adams, H.; Jones, S.","Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency.","Organic & biomolecular chemistry","2017","15","11","2422","2435","10.1039/c6ob02537d","","","0.71073","MoKα","","0.064","0.0412","","","0.0819","0.0888","","","","","","1.022","","","","has coordinates","195175","2020-10-21","18:00:00",""
"7155509","6.9949","0.0009","10.2229","0.0014","15.438","0.002","90","","95.443","0.003","90","","1099","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O S -","- C28 H25 N O S -","- C56 H50 N2 O2 S2 -","2","1","","Zhang, Xuxue; Wu, Mingsheng; Zhang, Juan; Cao, Song","Synthesis of N,N-disubstituted 2-aminothiophenes by the cyclization of gem-difluoroalkenes with β-keto thioamides.","Organic & biomolecular chemistry","2017","15","11","2436","2442","10.1039/c7ob00368d","","","0.71073","MoKα","","0.0499","0.0367","","","0.0801","0.0862","","","","","","1.023","","","","has coordinates","195174","2020-10-21","18:00:00",""
"7155510","5.6825","0.0003","14.2013","0.0007","11.4613","0.0006","90","","94.933","0.002","90","","921.49","0.08","150","2","150","2","","","","","","","Sarcophyton stellatum","3","P 1 21 1","P 2yb","4","","(‒)-(2R,7R,8R)-Sarcophytoxide","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Rahelivao, Marie Pascaline; Lübken, Tilo; Gruner, Margit; Kataeva, Olga; Ralambondrahety, Rahanira; Andriamanantoanina, Hanta; Checinski, Marek P.; Bauer, Ingmar; Knölker, Hans-Joachim","Isolation and structure elucidation of natural products of three soft corals and a sponge from the coast of Madagascar.","Organic & biomolecular chemistry","2017","15","12","2593","2608","10.1039/c7ob00191f","","","1.54178","CuKα","","0.0265","0.0264","","","0.0747","0.0747","","","","","","1.048","","","","has coordinates","195180","2020-10-21","18:00:00",""
"7155511","11.8164","0.0018","9.2321","0.0011","11.9043","0.0019","90","","110.492","0.003","90","","1216.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O3 S -","- C12 H14 O3 S -","- C48 H56 O12 S4 -","4","2","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0578","0.0414","","","0.0967","0.1063","","","","","","1.068","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155515","6.2179","0.0003","10.0744","0.0004","10.4155","0.0005","90","","107.042","0.005","90","","623.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O5 S -","- C9 H15 N O5 S -","- C18 H30 N2 O10 S2 -","2","1","","Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; Zhu, Dan; Shi, Lei","Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides.","Organic & biomolecular chemistry","2017","15","12","2647","2654","10.1039/c7ob00021a","","x-ray","0.71073","MoKα","","0.035","0.0325","","","0.0771","0.0791","","","","","","1.066","","","","has coordinates","195184","2020-10-21","18:00:00",""
"7155521","7.1265","0.0007","28.922","0.003","11.2917","0.001","90","","106.228","0.001","90","","2234.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound (+) 14d","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","2","","Carella, Andrea; Ramos Ferronatto, Gabriel; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Paolucci, Claudio","Betti's base for crystallization-induced deracemization of substituted aldehydes: synthesis of enantiopure amorolfine and fenpropimorph.","Organic & biomolecular chemistry","2017","15","14","2968","2978","10.1039/c6ob02765b","","","0.71073","MoKα","","0.1279","0.0933","","","0.246","0.2878","","","","","","0.879","","","","has coordinates","196514","2020-10-21","18:00:00",""
"7155527","10.433","0.002","11.252","0.002","11.15","0.002","90","","101.21","0.03","90","","1283.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0656","0.0514","","","0.1057","0.1141","","","","","","1.05","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155529","10.3207","0.0002","17.168","0.0004","10.4198","0.0002","90","","96.038","0.001","90","","1836","0.07","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl (1-((3r,5r,7r)-adamantan-1-yl)but-3-en-1-yl)carbamate","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","x-ray","1.54178","CuKα","","0.0326","0.0323","","","0.0897","0.09","","","","","","1.058","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155534","12.8722","0.0005","6.6204","0.0002","20.7083","0.0008","90","","92.069","0.002","90","","1763.59","0.11","110.15","","110.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (1aS,2S,3R,3aR,6aS,6bS)-4-oxo-5-tosyloctahydro-2,6a-epoxyoxireno[2,3-e]isoindole-3-carboxylate","","- C18 H19 N O7 S -","- C18 H19 N O7 S -","- C72 H76 N4 O28 S4 -","4","2","","Abbasov, Mikail E.; Hudson, Brandi M.; Kong, Weixu; Tantillo, Dean J.; Romo, Daniel","Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene.","Organic & biomolecular chemistry","2017","15","15","3179","3183","10.1039/c6ob02738e","","","1.54178","CuKα","","0.0428","0.037","","","0.0966","0.1092","","","","","","1.116","","","","has coordinates,has disorder","196518","2020-10-21","18:00:00",""
"7155541","11.776","0.0009","8.4171","0.0006","13.9685","0.0011","90","","114.786","0.003","90","","1257.01","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-dimethoxy-2-((R)-2-nitro-1-phenylethyl)phenyl ((1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C26 H31 N O8 S -","- C26 H31 N O8 S -","- C52 H62 N2 O16 S2 -","2","1","","Han, Xiaoyu; Ye, Can; Chen, Fenfen; Chen, Qu; Wang, Yongjiang; Zeng, Xiaofei","A highly enantioselective Friedel-Crafts reaction of 3,5-dimethoxylphenol with nitroolefins mediated by a bifunctional quinine derived thiourea catalyst.","Organic & biomolecular chemistry","2017","15","16","3401","3407","10.1039/c7ob00372b","","","0.71073","MoKα","","0.0463","0.0428","","","0.103","0.1124","","","","","","1.144","","","","has coordinates","196509","2020-10-21","18:00:00",""
"7155547","8.9022","0.0005","14.9494","0.0008","27.943","0.0016","90","","93.499","0.005","90","","3711.8","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 N O14 -","- C35 H47 N O14 -","- C140 H188 N4 O56 -","4","2","","Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming","Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00614D","","","1.54178","CuKα","","0.1258","0.0937","","","0.2406","0.2635","","","","","","0.999","","","","has coordinates","194752","2020-10-21","18:00:00",""
"7155548","11.8973","0.0001","14.2852","0.0002","11.9193","0.0002","90","","114.749","0.001","90","","1839.68","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O13 -","- C37 H45 N O13 -","- C74 H90 N2 O26 -","2","1","","Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming","Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00614D","","","1.54178","CuKα","","0.046","0.0451","","","0.1188","0.1201","","","","","","1.036","","","","has coordinates","194752","2020-10-21","18:00:00",""
"7155563","12.0052","0.001","9.6664","0.0006","15.8157","0.0012","90","","96.318","0.008","90","","1824.2","0.2","105.3","","105.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0456","0.0404","","","0.107","0.1142","","","","","","1.036","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155564","9.9108","0.0003","9.8191","0.0003","18.3013","0.0006","90","","91.679","0.003","90","","1780.23","0.1","104.6","","104.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0597","0.0579","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155576","10.2079","0.0018","10.4253","0.0016","11.4032","0.0019","90","","97.286","0.006","90","","1203.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H28 Br N O3 S -","- C27 H28 Br N O3 S -","- C54 H56 Br2 N2 O6 S2 -","2","1","","Hou, Longlei; Yuan, Yuejie; Tong, Xiaofeng","Pd(0)-catalysed asymmetric reductive Heck-type cyclization of (Z)-1-iodo-1,6-diene: enantioselective synthesis of quaternary tetrahydropyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00762K","","","0.71073","MoKα","","0.0466","0.0403","","","0.0949","0.0978","","","","","","1.022","","","","has coordinates","195412","2020-10-21","18:00:00",""
"7155580","15.5798","0.0006","15.4279","0.0008","16.6633","0.0007","90","","90.085","0.004","90","","4005.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","4","","Shoji, Taku; Sugiyama, Shuhei; Araki, Takanori; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of 2-amino- and 2-arylazoazulenes via nucleophilic aromatic substitution of 2-chloroazulenes with amines and arylhydrazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00691H","","","0.71075","MoKα","","0.1309","0.0647","","","0.1216","0.1448","","","","","","1.01","","","","has coordinates,has disorder","195415","2020-10-21","18:00:00",""
"7155583","10.8333","0.0004","18.5688","0.0006","11.5795","0.0004","90","","104.444","0.004","90","","2255.72","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C84 H128 N8 O20 -","4","2","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0442","0.041","","","0.109","0.1115","","","","","","1.122","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155600","15.3308","0.0004","11.572","0.0003","15.6536","0.0005","90","","97.625","0.002","90","","2752.52","0.13","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl2 N3 O6 -","- C27 H35 Cl2 N3 O6 -","- C108 H140 Cl8 N12 O24 -","4","2","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.0672","0.0596","","","0.165","0.1748","","","","","","1.043","","","","has coordinates,has disorder","196223","2020-10-21","18:00:00",""
"7155612","8.109","0.0002","9.145","0.0002","9.2939","0.0002","90","","96.4248","0.0006","90","","684.88","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C32 H40 N4 O2 -","2","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0258","0.0254","","","0.0657","0.0662","","","","","","1.045","","","","has coordinates","196255","2020-10-21","18:00:00",""
"7155625","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155642","7.1098","0.001","5.6455","0.0008","14.581","0.002","90","","90.522","0.007","90","","585.23","0.14","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,1,2,2-tetrafluoroethyl)-4-p-tolyl-1H-1,2,3-triazole","","- C11 H9 F4 N3 -","- C11 H9 F4 N3 -","- C22 H18 F8 N6 -","2","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.0887","0.082","","0.1027","0.0921","0.0921","","","","","","1.0405","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155649","8.8749","0.0015","6.3714","0.0012","15.789","0.003","90","","95.698","0.006","90","","888.4","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1,1-dioxido-2,4-thietanediyl)bis{[4-(trifluoromethyl)phenyl]}","","- C19 H12 F6 O4 S -","- C19 H12 F6 O4 S -","- C38 H24 F12 O8 S2 -","2","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0548","0.0461","","","0.1158","0.1203","","","","","","1.038","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155684","10.27418","0.00011","12.53092","0.00012","10.87663","0.00016","90","","107.895","0.001","90","","1332.57","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.0569","0.0559","","","0.1467","0.1483","","","","","","1.042","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155686","6.26417","0.00006","18.04765","0.00014","10.53779","0.0001","90","","91.2643","0.0009","90","","1191.05","0.019","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C54 H72 O16 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.026","0.0255","","","0.0647","0.0652","","","","","","1.028","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155687","9.499","0.0002","10.4196","0.0003","12.8765","0.0005","90","","96.497","0.003","90","","1266.28","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N0 O8 -","- C27 H38 O8 -","- C54 H76 O16 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.0565","0.0452","","","0.1215","0.13","","","","","","1.006","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155689","8.743","0.002","9.675","0.003","15.147","0.004","90","","94.291","0.006","90","","1277.7","0.6","293","2","293","2","","","","","","","organic synthesis","6","P 1 21 1","P 2yb","4","Annulated hydroxycoumarin","(2R,3S)-3-(3-bromophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C27 H19 Br Cl2 N2 O4 -","- C27 H19 Br Cl2 N2 O4 -","- C54 H38 Br2 Cl4 N4 O8 -","2","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.1018","0.0599","","","0.1321","0.1521","","","","","","1.018","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155717","7.0259","0.0003","6.8005","0.0003","14.1172","0.0006","90","","93.843","0.004","90","","673","0.05","111.7","","111.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Zhu, Hui; Yang, Ya-nan; Xu, Kuo; Xie, Jing; Feng, Zi-ming; Jiang, Jian-shuang; Zhang, pei cheng","Sophopterocarpan A, a novel pterocarpine derivative with a benzotetrahydrofuran-fused bicyclo [3.3.1] nonane from Sophora flavescens","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01261F","","","1.5418","CuKα","","0.0364","0.035","","","0.0926","0.0944","","","","","","1.034","","","","has coordinates","198132","2020-10-21","18:00:00",""
"7155731","10.1438","0.0008","19.1936","0.0016","10.2323","0.0008","90","","91.835","0.009","90","","1991.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H30 B2 F20 Li N -","- C42 H30 B2 F20 Li N -","- C84 H60 B4 F40 Li2 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0494","0.038","","","0.0823","0.0869","","","","","","1.029","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155808","11.27","0.002","7.571","0.0015","13.366","0.003","90","","109.99","0.03","90","","1071.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H19 F I N O2 S -","- C22 H19 F I N O2 S -","- C44 H38 F2 I2 N2 O4 S2 -","2","1","","Xi, Yang; Zhu, Guohao; Tang, Luning; Ma, shihan; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","Highly regio- and stereoselective trans-iodofluorination of ynamides enabling the synthesis of (E)-α-fluoro-β-iodoenamides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01470H","","","0.71073","MoKα","","0.069","0.0521","","","0.1334","0.1454","","","","","","1.003","","","","has coordinates","199692","2020-10-21","18:00:00",""
"7155831","8.2887","0.0011","17.918","0.004","12.294","0.002","90","","104.347","0.004","90","","1768.9","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H58 O3 Si2 -","- C31 H58 O3 Si2 -","- C62 H116 O6 Si4 -","2","1","","Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel","Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01665D","","","1.54178","CuKα","","0.1066","0.0969","","","0.2401","0.2533","","","","","","1.087","","","","has coordinates,has disorder","199835","2020-10-21","18:00:00",""
"7155847","14.688","0.0015","5.0342","0.0005","16.7218","0.0015","90","","98.151","0.004","90","","1224","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio","Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02033C","","","0.71073","MoKα","","0.0679","0.0523","","","0.1348","0.1444","","","","","","1.024","","","","has coordinates","199924","2020-10-21","18:00:00",""
"7155848","10.9737","0.0008","4.9511","0.0004","22.0555","0.0019","90","","102.768","0.003","90","","1168.69","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl2 N2 O5 -","- C23 H26 Cl2 N2 O5 -","- C46 H52 Cl4 N4 O10 -","2","1","","HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio","Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02033C","","","0.71073","MoKα","","0.1007","0.0842","","","0.2366","0.2513","","","","","","1.053","","","","has coordinates","199924","2020-10-21","18:00:00",""
"7155865","17.427","0.003","7.3463","0.0011","18.485","0.003","90","","95.213","0.004","90","","2356.7","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","2","","Li, Xiangdong; Zhao, JiDong; Xie, Xin; Liu, Yuanhong","Synthesis of Functionalized Indolizines via Gold(I)-Catalyzed Intramolecular Hydroarylation/aromatization of Pyrrole-Ynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02102J","","","0.71073","MoKα","","0.1552","0.1221","","","0.2902","0.3208","","","","","","1.102","","","","has coordinates","200198","2020-10-21","18:00:00",""
"7155881","10.482","","5.173","","12.755","","90","","98.46","","90","","684.094","","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O -","- C19 H16 O -","- C38 H32 O2 -","2","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","","0.71073","MoKα","","0.0748","0.0455","","","0.1141","0.1341","","","","","","0.875","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155903","10.66","0.004","9.536","0.004","13.873","0.005","90","","107.324","0.007","90","","1346.3","0.9","295","2","295","2","","","","","","","1,3-di-tert-butylpyrimidine-2,4,6(1H,3H,5H)-trione/3-(4-chlorophenyl)-1-(p-tolyl)propan-1-one","5","P 1 21 1","P 2yb","4","1,3-di-tert-butyl-5-(1-(4-chlorophenyl)-3-oxo-3-(p-tolyl)propyl)pyrimidine-2,4,6(1H,3H,5H)-trione","1,3-di-tert-butyl-5-(1-(4-chlorophenyl)-3-oxo-3-(p-tolyl)propyl)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C28 H33 Cl N2 O4 -","- C28 H33 Cl N2 O4 -","- C56 H66 Cl2 N4 O8 -","2","1","","Liu, Ying; Zhang, Yongna; Duan, Hui-Xin; Wanyan, Dong-Yan; Wang, You-Qing","Enantioselective Organocatalytic Michael Additions of N,N'-Dialkylbarbituric Acids to Enones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02116J","","","0.71073","MoKα","","0.085","0.0576","","","0.1078","0.1285","","","","","","1.121","","","","has coordinates","201399","2020-10-21","18:00:00",""
"7155919","13.2852","0.0018","6.7684","0.001","14.0755","0.0019","90","","112.709","0.004","90","","1167.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-benzyl-3-((2-(2-nitrobenzoyl)-1H-indol-3-yl)methyl)piperazine-2,5-dione","","- C27 H22 N4 O5 -","- C27 H22 N4 O5 -","- C54 H44 N8 O10 -","2","1","","Sen, Subhabrata; Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike","A diversity oriented synthesis of natural product inspired molecular libraries","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02230A","","","0.71073","MoKα","","0.1294","0.0652","","","0.153","0.1898","","","","","","1.073","","","","has coordinates","201909","2020-10-21","18:00:00",""
"7155923","9.6708","0.0008","24.094","0.002","15.4897","0.0014","90","","92.783","0.004","90","","3605","0.5","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30.5 H28.5 Br Cl7.5 N O6 S -","- C30.5 H28.5 Br Cl7.5 N O6 S -","- C122 H114 Br4 Cl30 N4 O24 S4 -","4","2","","Dai, Lu; Hou, Yuxuan; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","Construction of Tetrahydropyranoquinoline Derivatives via an Asymmetric Organocatalytic aza-Michael-IED/HAD Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02231J","","","0.71073","MoKα","","0.0744","0.0576","","","0.1143","0.1217","","","","","","1.07","","","","has coordinates,has disorder","201966","2020-10-21","18:00:00",""
"7155924","11.213","0.0004","13.1574","0.0005","14.6972","0.0004","90","","95.529","0.002","90","","2158.25","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H51 N3 O8 S2 -","- C48 H51 N3 O8 S2 -","- C96 H102 N6 O16 S4 -","2","1","","Dai, Lu; Hou, Yuxuan; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","Construction of Tetrahydropyranoquinoline Derivatives via an Asymmetric Organocatalytic aza-Michael-IED/HAD Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02231J","","","0.71073","MoKα","","0.0711","0.0483","","","0.1202","0.1578","","","","","","1.11","","","","has coordinates","201966","2020-10-21","18:00:00",""
"7155972","7.535","0.005","10.972","0.005","9.93","0.005","90","0.005","99.961","0.005","90","0.005","808.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H22 F3 N O3 S -","- C12 H22 F3 N O3 S -","- C24 H44 F6 N2 O6 S2 -","2","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0238","0.0234","","","0.0626","0.0628","","","","","","1.075","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155976","9.212","0.005","9.456","0.005","10.583","0.005","90","0.005","112.258","0.005","90","0.005","853.2","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F3 N O2 S -","- C16 H24 F3 N O2 S -","- C32 H48 F6 N2 O4 S2 -","2","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0206","0.0204","","","0.0552","0.0553","","","","","","0.92","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155981","11.6567","0.0005","12.4748","0.0005","17.6511","0.0006","90","","98.457","0.004","90","","2538.83","0.17","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C104 H96 N16 O48 -","8","4","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0707","0.0496","","","0.1125","0.124","","","","","","1.036","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155992","9.66134","0.00017","5.45597","0.0001","14.8724","0.0002","90","","93.7727","0.0016","90","","782.25","0.02","291.84","0.1","291.84","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0336","0.0332","","","0.0899","0.0904","","","","","","1.049","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7156004","14.9553","0.0002","8.63515","0.00011","19.7885","0.0003","90","","111.869","0.0019","90","","2371.61","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C104 H128 O40 -","8","4","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0468","0.0456","","","0.1279","0.1287","","","","","","1.022","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156005","12.308","0.007","6.22","0.003","13.145","0.007","90","","108.591","0.011","90","","953.8","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0352","0.0332","","","0.0869","0.0881","","","","","","1.047","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156010","7.297","0.002","10.159","0.003","14.198","0.004","90","","97.465","0.004","90","","1043.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0862","0.0463","","","0.0982","0.1229","","","","","","1.005","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156011","18.851","0.005","6.6457","0.0019","20.17","0.006","90","","114.181","0.003","90","","2305.1","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Br N O2 S -","- C22 H28 Br N O2 S -","- C88 H112 Br4 N4 O8 S4 -","4","2","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0702","0.0435","","","0.102","0.1306","","","","","","1.036","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156026","5.9946","0.0002","13.3006","0.0005","13.1317","0.0005","90","","93.111","0.003","90","","1045.47","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-((3R,4S,5S)-4-nitro-2-((2-nitrophenyl)sulfonyl)-3-phenyl-1,2-oxazinan-5-yl)acetate","","- C19 H19 N3 O9 S -","- C19 H19 N3 O9 S -","- C38 H38 N6 O18 S2 -","2","1","","Moczulski, Marek; Drelich, Piotr; Albrecht, Łukasz","Bifunctional catalysis in the stereocontrolled synthesis of tetrahydro-1,2-oxazines.","Organic & biomolecular chemistry","2018","16","3","376","379","10.1039/c7ob02894f","","x-ray","1.54184","CuKα","","0.0633","0.058","","","0.1566","0.1609","","","","","","1.029","","","","has coordinates","230881","2020-10-21","18:00:00",""
"7156063","8.087","0.004","6.124","0.004","13.998","0.007","90","","91.49","0.009","90","","693","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C34 H22 Cl2 O4 -","2","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0395","0.0328","","","0.0829","0.0866","","","","","","1.144","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156079","5.9509","0.0012","7.1789","0.0012","16.121","0.004","90","","90.821","0.018","90","","688.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-1-phenylethyl (2R)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.1041","0.083","","","0.2308","0.256","","","","","","1.096","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156080","5.9238","0.0001","7.1787","0.0001","16.1585","0.0003","90","","90.8223","0.0008","90","","687.07","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-1-phenylethyl (2S)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.0276","0.0268","","","0.0722","0.0729","","","","","","1.025","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156084","11.476","0.0007","10.3255","0.0009","12.5157","0.0012","90","","95.523","0.008","90","","1476.2","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl F3 N3 -","- C26 H19 Cl F3 N3 -","- C52 H38 Cl2 F6 N6 -","2","1","","Rahman, Abdul; Xie, En; Lin, Xufeng","Organocatalytic asymmetric synthesis of benzazepinoindole derivatives with trifluoromethylated quaternary stereocenters by chiral phosphoric acid catalysts.","Organic & biomolecular chemistry","2018","16","8","1367","1374","10.1039/c8ob00055g","","","0.71073","MoKα","","0.0741","0.047","","","0.0917","0.1035","","","","","","0.939","","","","has coordinates","230647","2020-10-21","18:00:00",""
"7156096","12.0777","0.0004","21.0362","0.0006","14.3712","0.0005","90","","107.602","0.003","90","","3480.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N4 O7 -","- C31 H47.5 N4 O7 -","- C124 H190 N16 O28 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.1003","0.0828","","","0.2174","0.236","","","","","","1.059","","","","has coordinates","230594","2020-10-21","18:00:00",""
"7156097","10.958","0.002","16.851","0.003","18.872","0.004","90","","101.84","0.03","90","","3410.6","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 N4 O9 -","- C31 H50 N4 O9 -","- C124 H200 N16 O36 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0367","0.0363","","","0.0962","0.0964","","","","","","1.045","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156098","20.8114","0.0001","12.8324","0.0001","23.6124","0.0002","90","","100.846","0.001","90","","6193.29","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C112 H199 N16 O28 -","- C112 H199 N16 O28 -","- C224 H398 N32 O56 -","2","1","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0803","0.08","","","0.2351","0.2355","","","","","","1.064","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156126","10.4093","0.0012","6.2017","0.0007","15.4242","0.0017","90","","92.398","0.002","90","","994.84","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence.","Organic & biomolecular chemistry","2018","16","10","1751","1759","10.1039/c8ob00306h","","","0.71073","MoKα","","0.0366","0.0345","","","0.0878","0.0895","","","","","","1.002","","","","has coordinates","230591","2020-10-21","18:00:00",""
"7156136","5.5524","0.0017","7.337","0.002","9.871","0.003","90","","91.581","0.007","90","","402","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0478","0.0359","","","0.1198","0.1336","","","","","","1.038","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156137","10.523","0.005","10.046","0.005","11.683","0.005","90","0.005","103.959","0.005","90","0.005","1198.6","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 O3 Si -","- C26 H32 O3 Si -","- C52 H64 O6 Si2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0406","0.0352","","","0.0878","0.0917","","","","","","1.033","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156138","10.558","0.003","39.473","0.012","11.458","0.004","90","","90","","90","","4775","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O2 Si -","- C25 H33 N3 O2 Si -","- C200 H264 N24 O16 Si8 -","8","4","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.158","0.1078","","","0.2381","0.2781","","","","","","1.052","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156140","8.5588","0.0006","6.9137","0.0005","15.0132","0.0011","90","","99.591","0.002","90","","875.96","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl O -","- C20 H29 Cl O -","- C40 H58 Cl2 O2 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0487","0.0364","","","0.0829","0.0885","","","","","","1.019","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156143","7.1254","0.0005","11.6665","0.0008","10.8645","0.0008","90","","103.497","0.002","90","","878.21","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C38 H58 Cl2 O4 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0565","0.0426","","","0.0935","0.1013","","","","","","0.988","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156155","8.2614","0.0001","11.369","0.0002","10.8661","0.0002","90","","106.297","0.0004","90","","979.58","0.03","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O6 S -","- C21 H15 N3 O6 S -","- C42 H30 N6 O12 S2 -","2","1","","K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy","Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.","Organic & biomolecular chemistry","2018","16","14","2522","2526","10.1039/C7OB03198J","","","0.71073","MoKα","","0.0391","0.0363","","","0.099","0.1015","","","","","","1.058","","","","has coordinates","230787","2020-10-21","18:00:00",""
"7156168","7.9327","0.0004","18.8397","0.0009","22.3499","0.0016","90","","100.199","0.005","90","","3287.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Br O4 S Se -","- C33 H33 Br O4 S Se -","- C132 H132 Br4 O16 S4 Se4 -","4","2","","Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong","Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2018","16","16","2893","2901","10.1039/c8ob00359a","","x-ray","0.71073","MoKα","","0.1192","0.0676","","","0.1421","0.1658","","","","","","1.054","","","","has coordinates","230734","2020-10-21","18:00:00",""
"7156195","8.6001","0.0001","17.1655","0.0002","9.5808","0.0001","90","","94.473","0.001","90","","1410.06","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O5 S2 -","- C30 H29 N3 O5 S2 -","- C60 H58 N6 O10 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.031","","","0.0697","0.0704","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156197","14.3941","0.0002","6.9252","0.00011","21.6163","0.0004","90","","94.3263","0.0015","90","","2148.62","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S2 -","- C24 H22 N2 O3 S2 -","- C96 H88 N8 O12 S8 -","4","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0264","0.0253","","","0.0651","0.0657","","","","","","1.038","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156209","12.0625","0.0003","35.0403","0.0008","31.1624","0.0008","90","","100.906","0.003","90","","12933.6","0.6","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C184 H302 N50 O46 -","- C184 H302 N50 O46 -","- C368 H604 N100 O92 -","2","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0902","0.0719","","","0.1899","0.2112","","","","","","1.051","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156212","14.9257","0.0016","5.4551","0.0006","21.093","0.002","90","","95.99","0.007","90","","1708","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H27 N O12 -","- C34 H27 N O12 -","- C68 H54 N2 O24 -","2","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.1668","0.0789","","","0.1695","0.2084","","","","","","1.035","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156220","26.289","0.002","15.6605","0.0014","28.462","0.002","90","","109.794","0.002","90","","11025.4","1.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl2 N4 Ni S2 Si -","- C58 H68 Cl2 N4 Ni S2 Si -","- C464 H544 Cl16 N32 Ni8 S16 Si8 -","8","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1506","0.1419","","","0.3897","0.4066","","","","","","1.646","","","","has coordinates","230727","2020-10-21","18:00:00",""
"7156273","6.2246","0.0002","26.4216","0.0012","8.1454","0.0004","90","","93.774","0.003","90","","1336.72","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S*,2S*,3S*,4S*,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe","Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.","Organic & biomolecular chemistry","2018","16","25","4688","4700","10.1039/c8ob01065j","","","1.54178","CuKα","","0.1035","0.0902","","","0.2406","0.2501","","","","","","1.117","","","","has coordinates","230752","2020-10-21","18:00:00",""
"7156293","7.5213","0.0002","16.0289","0.0005","17.7564","0.0006","90","","91.742","0.003","90","","2139.69","0.11","135","0.1","135","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl Ir N2 -","- C25 H26 Cl Ir N2 -","- C100 H104 Cl4 Ir4 N8 -","4","2","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0358","0.0316","","","0.0487","0.0504","","","","","","1.011","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156315","10.8106","0.001","5.454","0.0005","11.7245","0.001","90","","104.012","0.005","90","","670.72","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.0693","0.0544","","","0.1414","0.155","","","","","","1.1","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156328","7.1313","0.0016","8.764","0.002","17.546","0.004","90","","91.71","0.005","90","","1096.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0517","0.0517","","","0.1368","0.1368","","","","","","1.027","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156336","9.114","0.004","8.76","0.003","11.937","0.005","90","","98.233","0.006","90","","943.2","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C40 H42 Cl2 N4 O6 -","2","1","","Xu, Gang; Tong, Chaodi; Cui, Sunliang; Dai, Liyan","A silver catalyzed domino reaction of N-cyanamide alkenes and 1,3-dicarbonyls for the synthesis of quinazolinones.","Organic & biomolecular chemistry","2018","16","32","5899","5906","10.1039/c8ob01252k","","","0.71073","MoKα","","0.0793","0.0503","","","0.1011","0.1109","","","","","","1.035","","","","has coordinates","230634","2020-10-21","18:00:00",""
"7156358","8.9053","0.0002","29.8896","0.0007","10.0393","0.0002","90","","113.921","0.001","90","","2442.69","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","2","","Cai, Yue; Gu, Qing; You, Shu-Li","Chemoselective N-H functionalization of indole derivatives via the Reissert-type reaction catalyzed by a chiral phosphoric acid.","Organic & biomolecular chemistry","2018","16","33","6146","6154","10.1039/c8ob01863d","","","1.54178","CuKα","","0.0865","0.0698","","","0.1763","0.1981","","","","","","1.026","","","","has coordinates","230654","2020-10-21","18:00:00",""
"7156361","8.863","0.0006","6.941","0.0004","14.038","0.001","90","","104.114","0.007","90","","837.52","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C42 H34 N6 O2 -","2","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0821","0.0838","","","","","","1.067","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156366","13.6734","0.00019","10.41568","0.00013","27.6271","0.0004","90","","103.065","0.0014","90","","3832.73","0.09","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H43 N3 O8 -","- C44 H43 N3 O8 -","- C176 H172 N12 O32 -","4","2","","Knudsen, Ida M. B.; Hedberg, Christinne; Ladefoged, Lucy Kate; Ide, Daisuke; Brinkø, Anne; Eikeland, Espen Z.; Kato, Atsushi; Jensen, Henrik H.","Divergent synthesis of new α-glucosidase inhibitors obtained through a vinyl Grignard-mediated carbocyclisation.","Organic & biomolecular chemistry","2018","16","34","6250","6261","10.1039/c8ob01433g","","x-ray","0.71073","MoKα","","0.0479","0.0381","","","0.0832","0.0889","","","","","","1.06","","","","has coordinates","230862","2020-10-21","18:00:00",""
"7156372","10.811","0.0004","11.3987","0.0003","11.7982","0.0004","90","","104.616","0.004","90","","1406.86","0.08","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-6, 6?-HMSIOL","","","- C29 H42 O3 -","- C29 H42 O3 -","- C58 H84 O6 -","2","1","","Shan, Huanyu; Pan, Rihuang; Lin, Xufeng","Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1'-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes.","Organic & biomolecular chemistry","2018","16","34","6183","6186","10.1039/c8ob01785a","","","1.54184","CuKα","","0.0563","0.0466","","","0.124","0.1356","","","","","","1.029","","","","has coordinates","230860","2020-10-21","18:00:00",""
"7156376","7.5644","0.0002","19.5682","0.0006","9.8133","0.0003","90","","105.002","0.003","90","","1403.07","0.07","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N4 O6 S -","- C31 H26 N4 O6 S -","- C62 H52 N8 O12 S2 -","2","1","","Sharma, Vivek; Kaur, Anmolpreet; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Enantioselective 1,4-Michael addition reaction of pyrazolin-5-one derivatives with 2-enoylpyridines catalyzed by Cinchona derived squaramides.","Organic & biomolecular chemistry","2018","16","35","6470","6478","10.1039/c8ob01588k","","x-ray","0.71073","MoKα","","0.039","0.0331","","","0.0784","0.0819","","","","","","1.041","","","","has coordinates","230847","2020-10-21","18:00:00",""
"7156380","7.53","0.003","5.649","0.002","23.594","0.009","90","","96.387","0.006","90","","997.4","0.7","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 F N O5 -","- C22 H24 F N O5 -","- C44 H48 F2 N2 O10 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0786","0.0768","","","0.2055","0.2068","","","","","","1.196","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156382","6.6706","0.001","25.351","0.004","11.3316","0.0017","90","","89.9","","90","","1916.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Br2 N2 O10 -","- C40 H40 Br2 N2 O10 -","- C80 H80 Br4 N4 O20 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0668","0.0587","","","0.1627","0.1664","","","","","","1.036","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156390","8.8442","0.0002","10.8918","0.0002","11.5077","0.0003","90","","90.266","0.003","90","","1108.52","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O4 -","- C23 H23 Cl N2 O4 -","- C46 H46 Cl2 N4 O8 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","1.54184","CuKα","","0.0535","0.0401","","","0.0909","0.0997","","","","","","1.024","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156401","5.0234","0.0015","12.137","0.004","13.751","0.004","90","","99.8","0.02","90","","826.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,2,4-Trimethylfuran-3-carboxamide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Sultana, Sabera; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Silver(i)/base-promoted propargyl alcohol-controlled regio- or stereoselective synthesis of furan-3-carboxamides and (Z)-enaminones.","Organic & biomolecular chemistry","2018","16","36","6749","6759","10.1039/c8ob01791c","","","0.71073","MoKα","","0.0556","0.0384","","","0.0884","0.1007","","","","","","1.011","","","","has coordinates","230841","2020-10-21","18:00:00",""
"7156405","5.8896","0.0009","10.8408","0.0014","11.3786","0.0015","90","","102.397","0.005","90","","709.56","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H17 O6 -","- C15 H17 O6 -","- C30 H34 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0943","0.0599","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156406","5.072","0.005","10.504","0.005","14.874","0.005","90","0.005","92.305","0.005","90","0.005","791.8","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0809","0.0549","","","0.118","0.1275","","","","","","1.021","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156417","9.8979","0.0003","22.3751","0.0008","16.4276","0.0005","90","","105.896","0.003","90","","3499","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Dimericursone B","","- C82 H92 O8 -","- C82 H92 O8 -","- C164 H184 O16 -","2","1","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.058","0.0496","","","0.1249","0.1344","","","","","","1.031","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156418","9.7271","0.0019","7.2173","0.0014","11.15","0.002","90","","111.74","0.03","90","","727.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 F3 N2 O8 -","- C10 H17 F3 N2 O8 -","- C20 H34 F6 N4 O16 -","2","1","","Voznesenskaia, Natalia G.; Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Enantioselective synthesis of α-perfluoroalkylated prolines, their 6,7-membered homologues and derivatives.","Organic & biomolecular chemistry","2018","16","38","7004","7011","10.1039/c8ob01223g","","","0.9699","synchrotron","","0.0815","0.0562","","","0.1165","0.1365","","","","","","0.91","","","","has coordinates","230875","2020-10-21","18:00:00",""
"7156432","8.0982","0.0007","16.4309","0.0013","10.0674","0.0008","90","","113.247","0.002","90","","1230.82","0.18","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O2 -","- C31 H31 N O2 -","- C62 H62 N2 O4 -","2","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.0686","0.0563","","","0.0942","0.0986","","","","","","1.146","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156443","10.8008","0.0007","7.1714","0.0003","12.5418","0.0007","90","","101.366","0.002","90","","952.4","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Ghorai, Jayanta; Chaitanya, Manthena; Anbarasan, Pazhamalai","Cp*Co(iii)-catalysed selective alkylation of C-H bonds of arenes and heteroarenes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","40","7346","7350","10.1039/c8ob02111b","","x-ray","0.71073","MoKα","","0.0305","0.0283","","","0.0697","0.0718","","","","","","1.029","","","","has coordinates","230781","2020-10-21","18:00:00",""
"7156466","7.2086","0.0002","12.6711","0.0004","8.3699","0.0003","90","","98.408","0.003","90","","756.3","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C40 H26 N2 O6 -","2","1","","Panda, Niranjan; Mattan, Irshad; Ojha, Subhadra; Purohit, Chandra Shekhar","Synthesis of medium-sized (6-7-6) ring compounds by iron-catalyzed C-H activation/annulation [corrected].","Organic & biomolecular chemistry","2018","16","42","7861","7870","10.1039/c8ob01496e","","","1.54184","CuKα","","0.0448","0.0426","","","0.1169","0.1204","","","","","","1.083","","","","has coordinates","230689","2020-10-21","18:00:00",""
"7156500","6.6889","0.0007","20.404","0.002","6.7943","0.0007","90","","102.245","0.009","90","","906.19","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C28 H60 N12 S4 -","4","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0899","0.0707","","","0.1534","0.1693","","","","","","1.097","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156513","9.2784","0.0004","14.1722","0.0006","9.8379","0.0004","90","","114.077","0.001","90","","1181.09","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2,2-trifluoro-1-[1-phenyl-3-(2-phenylethynyl)-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-a]quinolin-2-yl]-1-ethanone","","- C29 H17 F6 N O2 -","- C29 H17 F6 N O2 -","- C58 H34 F12 N2 O4 -","2","1","","Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.; Trofimov, B. A.","Catalyst-free 1 : 2 annulation of quinolines with trifluoroacetylacetylenes: an access to functionalized oxazinoquinolines.","Organic & biomolecular chemistry","2018","16","43","8038","8041","10.1039/c8ob02379d","","","0.71073","MoKα","","0.051","0.0366","","","0.0701","0.0746","","","","","","1.023","","","","has coordinates","230661","2020-10-21","18:00:00",""
"7156536","7.3514","0.0003","7.7395","0.0003","16.0309","0.0006","90","","94.117","0.004","90","","909.74","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54184","CuKα","","0.0332","0.0327","","","0.0855","0.086","","","","","","1.072","","","","has coordinates","230606","2020-10-21","18:00:00",""
"7156544","6.3056","0.0002","17.1631","0.0006","17.9081","0.0007","90","","92.519","0.001","90","","1936.21","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","2","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.0716","0.0705","","","0.1996","0.2013","","","","","","1.089","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156545","6.856","","15.7693","0.0001","9.6944","0.0001","90","","101.609","0.001","90","","1026.66","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C44 H72 O8 -","2","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0279","0.0278","","","0.0735","0.0736","","","","","","1.105","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156558","7.3751","0.0003","15.7593","0.0007","10.1577","0.0004","90","","90.466","0.001","90","","1180.55","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O9 -","- C26 H34 O9 -","- C52 H68 O18 -","2","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.034","0.0339","","","0.0825","0.0825","","","","","","3.155","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156577","10.6362","0.0013","13.222","0.0016","11.2568","0.0014","90","","105.849","0.002","90","","1522.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Br N3 O6 S2 -","- C29 H28 Br N3 O6 S2 -","- C58 H56 Br2 N6 O12 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0735","0.053","","","0.1374","0.1494","","","","","","1.054","","","","has coordinates","230764","2020-10-21","18:00:00",""
"7156580","6.8362","0.0001","15.7227","0.0003","10.0317","0.0001","90","","95.182","0.001","90","","1073.84","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H25 O9 -","- C22 H25 O9 -","- C44 H50 O18 -","2","1","","Nayak, Sabita; Panda, Pravati; Raiguru, Bishnu Prasad; Mohapatra, Seetaram; Purohit, Chandra Shekhar","Base mediated green synthesis of enantiopure 2-C-spiro-glycosyl-3-nitrochromenes.","Organic & biomolecular chemistry","2018","17","1","74","82","10.1039/c8ob02278j","","x-ray","1.54184","CuKα","","0.0502","0.0497","","","0.1455","0.1466","","","","","","1.1","","","","has coordinates","225077","2020-10-21","18:00:00",""
"7156586","8.6715","0.0011","18.093","0.002","22.594","0.003","90","","100.433","0.004","90","","3486.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3R,4R)-4-(2-(4-methoxyphenyl)-2-oxoethyl)-4'-oxo-3'-phenyl-2'-thioxo-1-tosyl-1,4-dihydro-2H-spiro[quinoline-3,5'-thiazolidine]-2-carboxylate","","- C36 H32 N2 O7 S3 -","- C36 H32 N2 O7 S3 -","- C144 H128 N8 O28 S12 -","4","2","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of highly functionalized spirothiazolidinone tetrahydroquinolines via a squaramide-catalyzed cascade reaction.","Organic & biomolecular chemistry","2018","16","48","9390","9401","10.1039/c8ob02731e","","","0.71073","MoKα","","0.0571","0.038","","","0.0789","0.0869","","","","","","1.02","","","","has coordinates,has disorder","230775","2020-10-21","18:00:00",""
"7156588","13.288","0.0005","6.3903","0.0002","14.4021","0.0005","90","","111.827","0.004","90","","1135.27","0.08","297.99","0.11","297.99","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C50 H72 O8 -","2","1","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54184","CuKα","","0.061","0.0521","","","0.1355","0.1488","","","","","","1.114","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156600","11.6212","0.0012","6.9157","0.0008","12.8041","0.0014","90","","109.534","0.003","90","","969.82","0.18","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Motaghi, Milad; Khosravi, Hormoz; Balalaie, Saeed; Rominger, Frank","Catalytic formal [4 + 1] isocyanide-based cycloaddition: an efficient strategy for the synthesis of 1H-cyclopenta[b]quinolin-1-one derivatives.","Organic & biomolecular chemistry","2019","17","2","275","282","10.1039/c8ob02857e","","","0.71073","MoKα","","0.1131","0.0546","","","0.1068","0.1308","","","","","","1.008","","","","has coordinates,has disorder","225143","2020-10-21","18:00:00",""
"7156603","10.8594","0.0004","7.3763","0.0003","15.5152","0.0007","90","","92.469","0.003","90","","1241.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N3 O6 -","- C27 H39 N3 O6 -","- C54 H78 N6 O12 -","2","1","","Alkayar, Ziad T. I.; Coldham, Iain","Cascade cyclization and intramolecular nitrone dipolar cycloaddition and formal synthesis of 19-hydroxyibogamine.","Organic & biomolecular chemistry","2018","17","1","66","73","10.1039/c8ob02839g","","","1.54178","CuKα","","0.0679","0.0451","","","0.0994","0.1112","","","","","","1.011","","","","has coordinates","225080","2020-10-21","18:00:00",""
"7156605","10.5966","0.0001","7.8609","0.0001","11.8783","0.0001","90","","114.143","0.001","90","","902.899","0.018","99.97","0.19","99.97","0.19","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11.5 H10.5 N1.5 O -","- C11.5 H10.5 N1.5 O -","- C46 H42 N6 O4 -","4","2","","Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng","Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.","Organic & biomolecular chemistry","2019","17","5","1053","1057","10.1039/c8ob02775g","","x-ray","1.54184","CuKα","","0.0295","0.0291","","","0.0736","0.0739","","","","","","1.098","","","","has coordinates","225102","2020-10-21","18:00:00",""
"7156617","8.1792","0.0013","22.368","0.004","9.641","0.0015","90","","90.631","0.003","90","","1763.7","0.5","293","","293","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl F O2 -","- C19 H18 Cl F O2 -","- C76 H72 Cl4 F4 O8 -","4","2","","Schlinquer, Claire; Huang, Wei-Sheng; Chen, Ling; Poisson, Thomas; Pannecoucke, Xavier; Charette, André B; Jubault, Philippe","Rhodium catalysed enantioselective synthesis of mono-(halo)-methyl-cyclopropanes.","Organic & biomolecular chemistry","2019","17","3","472","476","10.1039/c8ob03041c","","x-ray","0.71073","MoKα","","0.0872","0.0569","","","0.1388","0.1615","","","","","","1.015","","","","has coordinates","225310","2020-10-21","18:00:00",""
"7156622","7.2468","0.0001","11.3553","0.0002","12.5163","0.0002","90","","98.095","0.001","90","","1019.7","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl O2 Rh -","- C21 H26 Cl O2 Rh -","- C42 H52 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[RhIII(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0222","0.0194","","","0.0479","0.0502","","","","","","1.001","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156624","13.391","0.017","10.239","0.013","21.4","0.03","90","","106.18","0.03","90","","2818","6","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C140 H120 O20 -","- C140 H120 O20 -","- C140 H120 O20 -","1","0.5","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by 1H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0839","0.041","","","0.0633","0.0717","","","","","","0.802","","","","has coordinates,has disorder","225305","2020-10-21","18:00:00",""
"7156637","19.3333","0.0008","13.2563","0.0005","24.6689","0.001","90","","108.952","0.002","90","","5979.6","0.4","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H46 N2 O2 -","- C51 H46 N2 O2 -","- C306 H276 N12 O12 -","6","3","","Gu, Haorui; Huang, Shaoying; Lin, Xufeng","Iron-catalyzed asymmetric intramolecular cyclopropanation reactions using chiral tetramethyl-1,1'-spirobiindane-based bisoxazoline (TMSI-BOX) ligands.","Organic & biomolecular chemistry","2019","17","5","1154","1162","10.1039/c8ob03065k","","","1.54178","CuKα","","0.0863","0.0802","","","0.2172","0.2237","","","","","","1.028","","","","has coordinates","225101","2020-10-21","18:00:00",""
"7156653","9.371","0.0002","13.7203","0.0003","11.5632","0.0003","90","","93.178","0.001","90","","1484.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N P -","- C38 H40 N P -","- C76 H80 N2 P2 -","2","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0509","0.0505","","","0.1229","0.1233","","","","","","1.161","","","","has coordinates,has disorder","225147","2020-10-21","18:00:00",""
"7156671","11.4706","0.0001","12.9944","0.0001","17.0882","0.0001","90","","95.055","0.001","90","","2537.15","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,3aR,9bR)-3a-(2-oxo-2-phenylethyl)-3-phenyl-3,3a,4',5'-tetrahydro-1H,2'H-spiro[chromeno[4,3-b]pyrrole-2,3'-furan]-2',4(9bH)-dione","","- C29 H25 Cl2 N O5 -","- C29 H25 Cl2 N O5 -","- C116 H100 Cl8 N4 O20 -","4","2","","Kowalczyk-Dworak, Dorota; Albrecht, Łukasz","α,β-Unsaturated butenolides in an organocatalytic doubly annulative cascade for the preparation of 3,4-dihydrocoumarins.","Organic & biomolecular chemistry","2019","17","10","2624","2628","10.1039/c9ob00068b","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0866","0.0867","","","","","","0.907","","","","has coordinates","225041","2020-10-21","18:00:00",""
"7156681","9.6654","0.0018","5.3717","0.0012","17.065","0.003","90","","95.42","0.018","90","","882","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O3 -","- C19 H21 Br O3 -","- C38 H42 Br2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1239","0.0709","","","","0.2044","","","","","","1.0588","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156683","9.3718","0.0009","5.8521","0.0004","16.3645","0.0014","90","","106.047","0.009","90","","862.54","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C38 H42 Cl2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0846","0.0634","","","","0.1482","","","","","","1.0266","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156694","6.5334","0.0007","16.5353","0.0019","9.6045","0.0011","90","","99.396","0.004","90","","1023.7","0.2","297","2","297.05","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10.5 H10 N O3.5 -","- C10.5 H10 N O3.5 -","- C42 H40 N4 O14 -","4","2","","Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong","Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.","Organic & biomolecular chemistry","2019","17","11","2883","2886","10.1039/c9ob00330d","","","0.71073","MoKα","","0.0678","0.0663","","","0.1825","0.1842","","","","","","1.071","","","","has coordinates,has disorder","225287","2020-10-21","18:00:00",""
"7156717","5.0331","0.0003","12.9922","0.0008","17.1983","0.0011","90","","93.403","0.002","90","","1122.63","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-5-(3,4-dimethoxybenzylidene)-2-((2-oxo-2-phenylethyl)selanyl)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H22 N2 O4 Se -","- C26 H22 N2 O4 Se -","- C52 H44 N4 O8 Se2 -","2","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0394","0.0335","","","0.0644","0.0658","","","","","","1.077","","","","has coordinates,has disorder","225289","2020-10-21","18:00:00",""
"7156733","5.103","0.0001","24.0246","0.0003","13.7034","0.0002","90","","98.635","0.001","90","","1660.96","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 F N2 O6 -","- C15 H19 F N2 O6 -","- C60 H76 F4 N8 O24 -","4","2","","Zhu, Liping; Xiong, Jiale; An, Junkai; Chen, Nannan; Xue, Jijun; Jiang, Xianxing","Highly efficient regio-selective ring-opening nucleophilic fluorination of aziridines and azetidines: access to β- or γ-fluorinated amino acid derivatives.","Organic & biomolecular chemistry","2019","17","15","3797","3804","10.1039/c9ob00172g","","x-ray","1.54184","CuKα","","0.0375","0.036","","","0.0933","0.0954","","","","","","1.054","","","","has coordinates,has disorder","225242","2020-10-21","18:00:00",""
"7156760","7.92142","0.00004","7.19257","0.00004","11.36141","0.00005","90","","97.7125","0.0004","90","","641.465","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aS,7S,10aR)-2-methoxy-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.0626","0.0626","","","","","","1.006","","","","has coordinates","225138","2020-10-21","18:00:00",""
"7156761","8.5399","0.0001","7.2817","0.0001","10.6201","0.0001","90","","105.546","0.001","90","","636.25","0.013","100","","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aR,7R,10aS)-2-Methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0556","0.0556","","","","","","1.054","","","","has coordinates","225138","2020-10-21","18:00:00",""
"7156778","12.285","0.0004","28.8977","0.0011","25.3483","0.0009","90","","103.049","0.001","90","","8766.5","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95 H95.5 N6.5 O16 -","- C95 H101 N6.5 O16 -","- C380 H404 N26 O64 -","4","2","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156823","12.8895","0.0001","18.6285","0.0002","13.366","0.0001","90","","93.067","0.001","90","","3204.74","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H51 B F24 Ir N2 P -","- C68 H51 B F24 Ir N2 P -","- C136 H102 B2 F48 Ir2 N4 P2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.0281","0.0264","","","0.0671","0.0676","","","","","","1.03","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156824","9.18906","0.00005","17.8998","0.0001","11.33563","0.00006","90","","92.2391","0.0005","90","","1863.09","0.018","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","2","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","1.54184","CuKα","","0.0364","0.0355","","","0.0931","0.0946","","","","","","1.034","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156835","6.6617","0.0005","6.6834","0.0005","22.736","0.002","90","","95.148","0.006","90","","1008.19","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)formamide","","- C10 H10 F3 N O2 -","- C10 H10 F3 N O2 -","- C40 H40 F12 N4 O8 -","4","2","","Otevrel, Jan; Svestka, David; Bobal, Pavel","Bianthryl-based organocatalysts for the asymmetric Henry reaction of fluoroketones.","Organic & biomolecular chemistry","2019","17","21","5244","5248","10.1039/c9ob00884e","","","0.71073","MoKα","","0.0342","0.0315","","","0.0731","0.0748","","","","","","0.965","","","","has coordinates","225258","2020-10-21","18:00:00",""
"7156836","15.676","0.004","5.9027","0.0013","16.875","0.004","90","","104.625","0.007","90","","1510.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H41 N O4 -","- C36 H41 N O4 -","- C72 H82 N2 O8 -","2","1","","Jiang, Chunfeng; Liu, Quan; Liu, Jiaming; Liu, Kaixuan; Tian, Liangliang; Duan, Mingfei; Wang, Ying; Shen, Zhufang; Xu, Youjun","Selective synthesis of 3-deoxy-5-hydroxy-1-amino-carbasugars as potential α-glucosidase inhibitors.","Organic & biomolecular chemistry","2019","17","21","5381","5391","10.1039/c9ob00762h","","","0.71073","MoKα","","0.106","0.0555","","","0.1068","0.1326","","","","","","0.927","","","","has coordinates","225259","2020-10-21","18:00:00",""
"7156837","9.9148","0.0003","10.2958","0.0003","14.4151","0.0005","90","","109.169","0.002","90","","1389.92","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF3-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0275","0.0261","","","0.0595","0.0605","","","","","","1.002","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156838","10.1503","0.0006","7.5835","0.0004","17.626","0.001","90","","93.768","0.002","90","","1353.82","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF3-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0282","0.027","","","0.0612","0.0621","","","","","","1","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156850","9.6921","0.0013","9.8549","0.0012","11.1815","0.0015","90","","107.996","0.004","90","","1015.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 F I O P -","- C22 H19 F I O P -","- C44 H38 F2 I2 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0319","0.0308","","","0.0935","0.0944","","","","","","1.142","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156866","10.9535","0.0005","7.9162","0.0003","11.9942","0.0005","90","","98.836","0.004","90","","1027.68","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C36 H56 F8 O16 -","4","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0477","0.0404","","","0.0907","0.0943","","","","","","1.041","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156888","5.4441","0.0003","18.1287","0.0008","8.5243","0.0004","90","","95.698","0.003","90","","837.14","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C32 H42 N2 O12 -","2","1","","Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.","Organic & biomolecular chemistry","2019","17","25","6251","6268","10.1039/c9ob00940j","","","1.54178","CuKα","","0.0942","0.0645","","","0.1458","0.1886","","","","","","0.873","","","","has coordinates,has disorder","225172","2020-10-21","18:00:00",""
"7156902","9.6819","0.001","9.8937","0.001","25.25","0.003","90","","97.704","0.003","90","","2396.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C114 H114 Br6 O12 -","6","3","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.1161","0.0635","","","0.1258","0.1496","","","","","","1.021","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156916","9.1516","0.0002","5.26734","0.00013","17.986","0.0004","90","","94.683","0.002","90","","864.11","0.03","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Peng, Fei; Tian, Hua; Zhang, Pengxiang; Yang, Haijun; Fu, Hua","Iridium-catalyzed intramolecular enantioselective allylation of quinazolin-4(3H)-one derivatives.","Organic & biomolecular chemistry","2019","17","26","6461","6464","10.1039/c9ob01057b","","x-ray","1.54184","CuKα","","0.0395","0.0363","","","0.0911","0.0936","","","","","","1.053","","","","has coordinates","225121","2020-10-21","18:00:00",""
"7156948","14.23986","0.0002","7.86116","0.00008","19.8448","0.0003","90","","98.1269","0.0012","90","","2199.15","0.05","160","2","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H37 Br2 N3 O11 -","- C42 H37 Br2 N3 O11 -","- C84 H74 Br4 N6 O22 -","2","1","","Wang, Ying; Ren, Jinwei; Li, Honghua; Pan, Yuanyuan; Liu, Xingzhong; Che, Yongsheng; Liu, Gang","The disruption of verM activates the production of gliocladiosin A and B in Clonostachys rogersoniana.","Organic & biomolecular chemistry","2019","17","28","6782","6785","10.1039/c9ob01102a","","","1.54184","CuKα","","0.0686","0.0662","","","0.1938","0.1988","","","","","","1.071","","","","has coordinates,has disorder","225030","2020-10-21","18:00:00",""
"7156953","7.3603","0.0001","16.089","0.0002","16.5566","0.0002","90","","92.3726","0.0008","90","","1958.95","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","2","","Ryder, Greg M.; Wille, Uta; Willis, Anthony C.; Pyne, Stephen G.","1,2-Addition versus homoconjugate addition reactions of indoles and electron-rich arenes to α-cyclopropyl N-acyliminium ions: synthetic and computational studies.","Organic & biomolecular chemistry","2019","17","29","7025","7035","10.1039/c9ob01363f","","","1.54184","CuKα","","0.0324","0.0316","","0.082","0.0811","0.082","","","","","","1.0042","","","","has coordinates","225020","2020-10-21","18:00:00",""
"7157001","17.6143","0.0004","8.8624","0.00016","29.0155","0.0006","90","","98.484","0.002","90","","4479.9","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 S -","- C26 H30 N2 S -","- C208 H240 N16 S8 -","8","4","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0715","0.0514","","","0.1112","0.1208","","","","","","0.961","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157003","9.16773","0.00005","14.33308","0.00008","15.08193","0.00008","90","","104.093","0.0005","90","","1922.15","0.019","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H44 N4 S2 -","- C46 H44 N4 S2 -","- C92 H88 N8 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0271","0.0265","","","0.0677","0.0685","","","","","","1.019","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157008","10.168","0.00005","14.93848","0.00008","16.29099","0.00008","90","","99.1361","0.0005","90","","2443.12","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N3 S2 -","- C27 H27 N3 S2 -","- C108 H108 N12 S8 -","4","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0308","0.0289","","","0.0733","0.0754","","","","","","1.045","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157010","8.81055","0.0001","20.08758","0.00017","9.52368","0.00011","90","","112.355","0.0013","90","","1558.85","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38.32 N4 O0.16 S2 -","- C35 H38.324 N4 O0.162 S2 -","- C70 H76.648 N8 O0.324 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0334","0.032","","","0.0829","0.0852","","","","","","1.037","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157026","11.932","0.002","7.8696","0.0017","16.941","0.004","90","","106.606","0.007","90","","1524.4","0.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N5 O3 -","- C37 H31 N5 O3 -","- C74 H62 N10 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1509","0.0816","","","0.2124","0.2581","","","","","","0.972","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157030","8.1478","0.0003","12.7979","0.0004","15.6927","0.0005","90","","101.559","0.001","90","","1603.17","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl3 N O9 -","- C31 H40 Cl3 N O9 -","- C62 H80 Cl6 N2 O18 -","2","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0725","0.071","","","0.1882","0.19","","","","","","1.101","","","","has coordinates,has disorder","225280","2020-10-21","18:00:00",""
"7157067","10.679","0.0007","12.0178","0.0008","11.2241","0.0007","90","","112.326","0.0014","90","","1332.5","0.15","123","0.1","123","0.1","","","","","","","dichloromethane/pentane","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N O4 P S -","- C25 H38 N O4 P S -","- C50 H76 N2 O8 P2 S2 -","2","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates","225295","2020-10-21","18:00:00",""
"7157089","9.2331","0.0007","9.4073","0.0007","15.2033","0.0012","90","","91.611","0.007","90","","1320.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C64 H58 N2 O8 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0764","0.056","","","0.1297","0.1724","","","","","","1.097","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157090","9.1034","0.0002","9.5264","0.0003","15.9591","0.0004","90","","91.547","0.002","90","","1383.51","0.06","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O5 S -","- C33 H31 N O5 S -","- C66 H62 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0352","0.0324","","","0.0897","0.0933","","","","","","0.927","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157108","9.6143","0.0009","16.0071","0.0015","13.8424","0.0013","90","","94.363","0.001","90","","2124.1","0.3","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Rp,Rp)-1","","- C49 H37 Cl3 Se4 -","- C49 H37 Cl3 Se4 -","- C98 H74 Cl6 Se8 -","2","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0393","0.0335","","","0.081","0.0835","","","","","","1.043","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157112","11.896","0.0007","10.6048","0.0005","13.5243","0.0008","90","","109.984","0.006","90","","1603.42","0.17","125.3","","125.3","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H36 F2 N4 O4 S -","- C35 H36 F2 N4 O4 S -","- C70 H72 F4 N8 O8 S2 -","2","1","","Zhou, Yuxuan; Ma, Fanghui; Lu, Ping; Wang, Yanguang","Preparation of spiro[imidazolidine-4,3'-indolin]-2'-imines via copper(i)-catalyzed formal [2 + 2 + 1] cycloaddition of 3-diazoindolin-2-imines and triazines.","Organic & biomolecular chemistry","2019","17","39","8849","8852","10.1039/c9ob01767d","","","0.71073","MoKα","","0.0591","0.0518","","","0.1269","0.1349","","","","","","1.038","","","","has coordinates","225109","2020-10-21","18:00:00",""
"7157119","6.2833","0.00003","33.99155","0.00012","8.90762","0.00005","90","","107.114","0.0005","90","","1818.25","0.016","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H54 N2 O7 -","- C43 H54 N2 O7 -","- C86 H108 N4 O14 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0674","0.0679","","","","","","1.02","","","","has coordinates","225192","2020-10-21","18:00:00",""
"7157120","6.41147","0.00005","9.65864","0.00005","26.39665","0.00013","90","","91.6151","0.0006","90","","1633.99","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H49 N O6 S -","- C36 H49 N O6 S -","- C72 H98 N2 O12 S2 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.034","0.0334","","","0.0902","0.0908","","","","","","1.042","","","","has coordinates","225192","2020-10-21","18:00:00",""
"7157188","5.845","0.0005","7.6852","0.0006","12.8843","0.001","90","","100.457","0.008","90","","569.15","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C24 H26 Br2 O6 -","2","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.0541","0.0437","","","0.0851","0.093","","","","","","1.029","","","","has coordinates","223424","2020-10-21","18:00:00",""
"7157192","6.2645","0.0006","12.7734","0.0012","10.8124","0.0015","90","","95.177","0.008","90","","861.67","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","","Vazquez-Chavez, Josué; Luna-Morales, Socorro; Cruz-Aguilar, Diego Alfonso; Díaz-Salazar, Howard; Vallejo Narváez, Wilmer Esteban; Silva-Gutiérrez, Rodrigo Salvador; Ortega, Simon Hernandez; Rocha-Rinza, Tomás; Hernández-Rodríguez, Marcos","Effect of chiral N-substituents with methyl or trifluoromethyl groups on the catalytic performance of mono- and bifunctional thioureas.","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01893J","","","1.54178","CuKα","","0.0521","0.0477","","","0.1067","0.1108","","","","","","1.157","","","","has coordinates","225411","2020-10-21","18:00:00",""
"7157212","10.06056","0.00013","8.66685","0.0001","33.764","0.0004","90","","90.1091","0.0012","90","","2943.99","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H66 Br2 N2 O25 -","- C54 H66 Br2 N2 O25 -","- C108 H132 Br4 N4 O50 -","2","1","","Matamoros, Esther; Cintas, Pedro; Light, Mark; Palacios, Juan C.","Electronic effects in tautomeric equilibria: The case of chiral imines from D-glucamine and 2-hydroxyacetophenones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02147G","","x-ray","0.71073","MoKα","","0.0379","0.031","","","0.0636","0.0662","","","","","","1.025","","","","has coordinates","231072","2020-10-21","18:00:00",""
"7157214","11.118","0.002","7.8299","0.0016","11.76","0.002","90","","111.37","0.03","90","","953.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Yang, Lin-Feng; Shimadate, Yuna; Kato, Atsushi; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Synthesis and glycosidase inhibition of N-substituted derivatives of 1,4-dideoxy-1,4-imino-d-mannitol (DIM).","Organic & biomolecular chemistry","2020","18","5","999","1011","10.1039/c9ob02029b","","","0.71073","MoKα","","0.0323","0.0318","","","0.0758","0.0763","","","","","","1.074","","","","has coordinates","249032","2020-10-21","18:00:00",""
"7157216","9.1475","0.0003","22.3413","0.0007","12.6753","0.0004","90","","100.559","0.001","90","","2546.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H97 N7 O6 S -","- C43 H97 N7 O6 S -","- C86 H194 N14 O12 S2 -","2","1","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0308","0.0306","","","0.0811","0.0813","","","","","","1.025","","","","has coordinates","233465","2020-10-21","18:00:00",""
"7157261","6.936","0.0014","15.065","0.003","9.817","0.002","90","","90.38","0.03","90","","1025.8","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Na O9 S -","- C6 H12.3295 Na O9 S -","- C24 H49.318 Na4 O36 S4 -","4","2","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.799895","Synchrotron","","0.0739","0.0713","","","0.1696","0.1718","","","","","","1.069","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157266","11.3526","0.0007","7.2237","0.0003","19.7666","0.0012","90","","104.982","0.006","90","","1565.91","0.16","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C68 H96 O8 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0513","0.0417","","","0.0957","0.1028","","","","","","1.038","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157268","8.4637","0.0004","7.4511","0.0003","47.1253","0.0017","90","","90.048","0.004","90","","2971.9","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C136 H208 O8 -","4","2","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0675","0.0492","","","0.1042","0.1143","","","","","","1.053","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157270","7.4753","0.0005","8.3777","0.0007","23.7615","0.0017","90","","97.224","0.006","90","","1476.27","0.19","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C68 H104 O4 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0736","0.0527","","","0.1152","0.1417","","","","","","1.057","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157342","8.0885","0.0016","14.698","0.003","8.985","0.0018","90","","101.21","0.03","90","","1047.8","0.4","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'S,3R,3'S)-3'-(2-Bromophenyl)-1''-phenyldispiro[indoline-3,1'-cyclopropane-2',3''-pyrrolidine]-2,4'',5''-trione","","- C25 H17 Br N2 O3 -","- C25 H17 Br N2 O3 -","- C50 H34 Br2 N4 O6 -","2","1","","Wen, Jiang-Bo; Du, Da-Ming","Squaramide-catalysed asymmetric cascade reactions of 2,3-dioxopyrrolidines with 3-chlorooxindoles.","Organic & biomolecular chemistry","2020","18","8","1647","1656","10.1039/c9ob02663k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.082","","","","has coordinates","249020","2020-10-21","18:00:00",""
"7157350","6.7495","0.0004","24.3185","0.0012","14.4757","0.0009","90","","95.466","0.003","90","","2365.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","2","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","1.34139","GaKα","","0.0418","0.0317","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157353","10.4497","0.0003","14.6303","0.0004","15.2786","0.0005","90","","108.211","0.002","90","","2218.83","0.12","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 N6 O5 -","- C16 H32 N6 O5 -","- C64 H128 N24 O20 -","4","2","","Tonali, Nicolo; Correia, Isabelle; Lesma, Jacopo; Bernadat, Guillaume; Ongeri, Sandrine; Lequin, Olivier","Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides.","Organic & biomolecular chemistry","2020","18","18","3452","3458","10.1039/c9ob02654a","","","1.54178","CuKα","","0.0371","0.0347","","","0.0939","0.0958","","","","","","1.037","","","","has coordinates","252921","2020-10-21","18:00:00",""
"7157364","15.4706","0.0003","42.34","0.0009","19.1101","0.0004","90","","105.106","0.001","90","","12085.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C262 H220 Cl4 N8 O64 -","- C262 H220 Cl4 N8 O64 -","- C524 H440 Cl8 N16 O128 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1527","0.1097","","","0.3002","0.3468","","","","","","1.065","","","","has coordinates","250356","2020-10-21","18:00:00",""
"7157367","5.3125","0.0002","12.3867","0.0005","13.7161","0.0006","90","","90.529","0.003","90","","902.54","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","{1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol","","- C19 H26 O5 -","- C19 H26 O5 -","- C38 H52 O10 -","2","1","","Huang, Bo-Shun; Lowary, Todd L.","β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor.","Organic & biomolecular chemistry","2020","18","12","2264","2273","10.1039/d0ob00260g","","","1.54178","CuKα","","0.0966","0.0828","","","0.2137","0.2221","","","","","","1.009","","","","has coordinates","250374","2020-10-21","18:00:00",""
"7157381","7.5487","0.0002","6.7333","0.0002","15.8235","0.0005","90","","93.459","0.001","90","","802.81","0.04","100","2","100","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Xylarilongipin A","","- C19 H30 O3 -","- C19 H30 O3 -","- C38 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0338","0.0334","","","0.0956","0.0963","","","","","","1.097","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157383","11.5943","0.0006","6.2502","0.0003","12.5743","0.0007","90","","107.516","0.001","90","","868.97","0.08","152","2","152","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Hymatoxin L","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0308","0.0304","","","0.0799","0.0804","","","","","","1.029","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157406","9.6244","0.0003","9.8943","0.0003","14.3864","0.0005","90","","94.36","0.003","90","","1366","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl N O5 -","- C29 H32 Cl N O5 -","- C58 H64 Cl2 N2 O10 -","2","1","","Zhou, Jing; Bai, Li-Juan; Liang, Guo-Juan; Xu, Qi-Gui; Zhou, Li-Ping; Zhou, Hui","Organocatalytic asymmetric cascade 1,6-addition/hemiketalization/retro-Henry reaction of ortho-hydroxyphenyl-substituted p-QMs with α-nitroketones.","Organic & biomolecular chemistry","2020","18","14","2641","2645","10.1039/d0ob00397b","","x-ray","1.54184","CuKα","","0.0518","0.0467","","","0.1262","0.135","","","","","","1.048","","","","has coordinates","251729","2020-10-21","18:00:00",""
"7157410","10.19377","0.00018","39.0375","0.0007","11.437","0.0002","90","","116.788","0.0008","90","","4062.81","0.13","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H74 Cl2 N8 O2 -","- C105 H74 Cl2 N8 O2 -","- C210 H148 Cl4 N16 O4 -","2","1","","Kubo, Masahiro; Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Solvent-sensitive circularly polarized luminescent compounds bearing a 9,9'-spirobi[fluorene] skeleton.","Organic & biomolecular chemistry","2020","18","15","2866","2876","10.1039/c9ob02681a","","","1.54187","CuKα","","0.0654","0.0619","","","0.1757","0.1809","","","","","","1.109","","","","has coordinates,has disorder","251732","2020-10-21","18:00:00",""
"7157437","5.5623","0.0003","8.7434","0.0004","17.6707","0.0008","90","","96.868","0.002","90","","853.22","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl N O3 S -","- C19 H14 Cl N O3 S -","- C38 H28 Cl2 N2 O6 S2 -","2","1","","Wang, Mei-Xin; Liu, Juan; Liu, Zhen; Wang, Yingcheng; Yang, Qi-Qiong; Shan, Wenyu; Deng, Yu-Hua; Shao, Zhihui","Enantioselective synthesis of chiral α-alkynylated thiazolidones by tandem S-addition/acetalization of alkynyl imines.","Organic & biomolecular chemistry","2020","18","16","3117","3124","10.1039/d0ob00365d","","","1.54178","CuKα","","0.0442","0.0423","","","0.1046","0.1071","","","","","","1.05","","","","has coordinates","251724","2020-10-21","18:00:00",""
"7157440","9.768","0.002","5.0226","0.001","17.193","0.003","90","","95.43","0.03","90","","839.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N2 S -","- C22 H18 N2 S -","- C44 H36 N4 S2 -","2","1","","Jiang, Jingjing; Tuo, Xiaolong; Fu, Zhuquan; Huang, Huawen; Deng, Guo-Jun","Three-component synthesis of 1,4-benzothiazines via iodide-catalyzed aerobic C-H sulfuration with elemental sulfur.","Organic & biomolecular chemistry","2020","18","17","3234","3238","10.1039/d0ob00074d","","","0.71073","MoKα","","0.0813","0.0696","","","0.1288","0.1363","","","","","","1.125","","","","has coordinates","252903","2020-10-21","18:00:00",""
"7157466","7.1117","0.0014","14.251","0.003","7.5497","0.0015","90","","102.83","0.03","90","","746","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5ad","","- C16 H11 N5 O2 -","- C16 H11 N5 O2 -","- C32 H22 N10 O4 -","2","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0631","0.0401","","","0.0721","0.0777","","","","","","1.03","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157481","7.57","0.002","9.753","0.002","13.656","0.003","90","","102.23","0.03","90","","985.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1115","0.0552","","","0.1277","0.1542","","","","","","0.951","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157495","12.5521","0.0012","6.6052","0.0006","12.9824","0.0012","90","","113.567","0.003","90","","986.58","0.16","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zou, Chun-Xin; Hou, Zi-Lin; Bai, Ming; Guo, Rui; Lin, Bin; Wang, Xiao-Bo; Huang, Xiao-Xiao; Song, Shao-Jiang","Highly modified steroids from Inonotus obliquus.","Organic & biomolecular chemistry","2020","18","20","3908","3916","10.1039/d0ob00474j","","","1.34139","GaKα","","0.0311","0.0303","","","0.1055","0.1073","","","","","","0.955","","","","has coordinates,has disorder","252919","2020-10-21","18:00:00",""
"7157519","9.25182","0.00019","14.2225","0.0003","10.38203","0.00019","90","","106.464","0.002","90","","1310.1","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O S -","- C32 H29 N O S -","- C64 H58 N2 O2 S2 -","2","1","","Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong","Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.","Organic & biomolecular chemistry","2020","18","24","4551","4555","10.1039/d0ob00765j","","x-ray","1.54184","CuKα","","0.0369","0.036","","","0.1005","0.1027","","","","","","1.056","","","","has coordinates","253968","2020-10-21","18:00:00",""
"7157522","6.5916","0.0013","4.0692","0.0007","26.512","0.006","90","","94.367","0.009","90","","709.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl0.14 N0.43 O0.29 -","- C2 H2 Cl0.142857 N0.428571 O0.285714 -","- C28 H28 Cl2 N6 O4 -","14","7","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0438","0.0352","","","0.0839","0.0876","","","","","","1.075","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157532","12.2311","0.0004","5.5378","0.0002","13.6984","0.0004","90","","95.773","0.002","90","","923.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 Se -","- C23 H18 O3 Se -","- C46 H36 O6 Se2 -","2","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(i) catalyzed synthesis of selanyl methylene 4-chromanol and aurone derivatives.","Organic & biomolecular chemistry","2020","18","24","4619","4627","10.1039/d0ob00632g","","","0.71073","MoKα","","0.0238","0.0211","","","0.0487","0.0498","","","","","","1.033","","","","has coordinates","253976","2020-10-21","18:00:00",""
"7157534","5.2366","0.0001","35.3229","0.0003","14.5684","0.0001","90","","95.522","0.001","90","","2682.24","0.06","120","2","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl N3 O14 S -","- C59 H56 Cl N3 O14 S -","- C118 H112 Cl2 N6 O28 S2 -","2","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0415","0.0396","","","0.104","0.1051","","","","","","1.115","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157542","10.8248","0.0001","16.4407","0.0001","12.0407","0.0001","90","","109.771","0.001","90","","2016.53","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 N2 O4 -","- C20 H14 Cl4 N2 O4 -","- C80 H56 Cl16 N8 O16 -","4","2","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.058","0.0585","","","","","","1.031","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157554","7.9726","0.0002","30.0112","0.0008","11.2602","0.0003","90","","100.176","0.003","90","","2651.82","0.12","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","2","","Young, Matthew J.; Akien, Geoffrey R.; Evans, Nicholas H.","An amide hydrogen bond templated [1]rotaxane displaying a peptide motif - demonstrating an expedient route to synthetic mimics of lasso peptides.","Organic & biomolecular chemistry","2020","18","27","5203","5209","10.1039/d0ob01190h","","x-ray","1.54184","CuKα","","0.0667","0.0639","","","0.1809","0.1835","","","","","","1.074","","","","has coordinates,has disorder","255089","2020-10-21","18:00:00",""
"7157567","6.155","0.0005","15.283","0.0011","10.6069","0.0009","90","","94.491","0.006","90","","994.69","0.14","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C50 H38 F2 N4 O4 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Sushmita, ?; Verma, Akhilesh K.","Synthesis of cyclopentaquinolinone and cyclopentapyridinone from ortho-alkynyl-N-arylaldehyde via superbase-promoted C-N, C-O and C-C bond formation.","Organic & biomolecular chemistry","2020","18","29","5594","5601","10.1039/d0ob01281e","","","0.71073","MoKα","","0.0987","0.0579","","","0.1079","0.1348","","","","","","1.007","","","","has coordinates","255081","2020-10-21","18:00:00",""
"7157570","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol solvate","2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol solvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates","257924","2020-10-21","18:00:00",""
"7157575","9.2914","0.0001","14.7113","0.0002","9.9029","0.0001","90","","94.55","0.001","90","","1349.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1S,2R)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2-fluorophenyl)-2-phenylethyl)furan-3-carbaldehyde","","- C33 H35 F O3 -","- C33 H35 F O3 -","- C66 H70 F2 O6 -","2","1","","Przydacz, Artur; Dyguda, Mateusz; Topolska, Aleksandra; Skrzyńska, Anna; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Doubly vinylogous and doubly rearomative functionalization of 2-alkyl-3-furfurals.","Organic & biomolecular chemistry","2020","18","30","5816","5821","10.1039/d0ob00788a","","x-ray","1.54184","CuKα","","0.032","0.0313","","","0.0927","0.0931","","","","","","1.079","","","","has coordinates","257912","2020-10-21","18:00:00",""
"7157625","9.2129","0.0004","40.7685","0.0017","12.8563","0.0005","90","","90.32","0.003","90","","4828.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C136 H176 N48 O88 -","8","4","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0741","0.0499","","","0.1143","0.1318","","","","","","1.015","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157626","12.9906","0.0004","11.1438","0.0004","14.8377","0.0007","90","","103.257","0.004","90","","2090.73","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 F3 N8 O13 -","- C37 H39 F3 N8 O13 -","- C74 H78 F6 N16 O26 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0802","0.0533","","","0.1204","0.1378","","","","","","1.031","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157627","7.7778","0.0005","13.2995","0.001","11.4128","0.0006","90","","91.458","0.005","90","","1180.17","0.13","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C34 H44 N12 O22 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0617","0.041","","","0.0881","0.0994","","","","","","1.047","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157628","9.6273","0.0012","8.8714","0.001","16.549","0.002","90","","101.469","0.011","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C40 H54 N14 O24 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1129","0.0495","","","0.0969","0.1215","","","","","","0.95","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157682","4.7625","0.0002","13.0451","0.0008","13.8262","0.001","90","","95.126","0.005","90","","855.55","0.09","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Nathanael, Joses G.; White, Jonathan M.; Richter, Annika; Nuske, Madison R.; Wille, Uta","Oxidative damage of proline residues by nitrate radicals (NO3˙): a kinetic and product study.","Organic & biomolecular chemistry","2020","18","35","6949","6957","10.1039/d0ob01337d","","x-ray","1.54184","CuKα","","0.0555","0.0447","","","0.1079","0.1183","","","","","","1.07","","","","has coordinates","258974","2020-11-06","13:13:41",""
"7157702","14.4086","0.0001","13.7833","0.0001","14.4694","0.0001","90","","110.157","0.001","90","","2697.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","PF1022A","","- C53 H80 N4 O13 -","- C53 H80 N4 O13 -","- C106 H160 N8 O26 -","2","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0695","0.0699","","","","","","1.073","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157710","9.4888","0.0005","7.2783","0.0003","12.988","0.0007","90","","97.094","0.005","90","","890.12","0.08","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 1 21 1","P 2yb","4","","Aleuritin","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of Aleurites moluccanus with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.0646","0.0504","","","0.1141","0.1229","","","","","","1.044","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157717","3.9404","0.0001","16.0925","0.0003","9.1575","0.0002","90","","90.254","0.001","90","","580.68","0.02","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","","","0.0298","0.0292","","","0.081","0.0817","","","","","","1.07","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157726","9.0751","0.0005","6.1933","0.0003","15.1581","0.0007","90","","98.79","0.004","90","","841.95","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C34 H46 F4 N2 O6 -","2","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0435","0.0392","","","0.0916","0.095","","","","","","1.099","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157734","9.6261","0.00009","6.61723","0.00011","14.2237","0.0002","90","","98.0027","0.0011","90","","897.2","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-tert-butyl 4-((R)-2-(4-chlorophenyl)-5-oxo-2,5-dihydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C38 H40 Cl2 N2 O10 -","2","1","","Romaniszyn, Marta; Sieroń, Lesław; Albrecht, Łukasz","Asymmetric vinylogous Michael addition of 5-substituted-furan-2(3H)-ones to an α,β-unsaturated-γ-lactam.","Organic & biomolecular chemistry","2020","18","42","8633","8637","10.1039/d0ob01750g","","x-ray","1.54184","CuKα","","0.0225","0.0225","","","0.0589","0.0589","","","","","","1.055","","","","has coordinates","258955","2020-11-06","13:09:02",""
"7157742","5.4142","0.0007","20.89","0.003","8.3858","0.0011","90","","92.126","0.004","90","","947.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F N3 O -","- C24 H20 F N3 O -","- C48 H40 F2 N6 O2 -","2","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0936","0.0692","","","0.1444","0.157","","","","","","1.055","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157757","11.3621","0.0009","11.4447","0.0009","11.5177","0.0009","90","","119.266","0.001","90","","1306.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chiral Iridicyle 1","Chiral Iridicyle 1","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C62 H62 Cl2 Ir2 N2 O2 -","2","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0442","0.0445","","","","","","0.748","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157775","12.2886","0.0002","7.0684","0.0001","13.9005","0.0002","90","","104.496","0.0013","90","","1168.97","0.03","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated N-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.048","0.0478","","0.134","0.1339","0.134","","","","","","1.0042","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157776","10.6602","0.0005","8.6837","0.0003","12.1854","0.0005","90","","92.849","0.003","90","","1126.61","0.08","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated N-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","0.71073","MoKα","","0.0461","0.0418","","0.096","0.0935","0.096","","","","","","1.0171","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157777","9.2571","0.0001","8.0452","0.0001","16.5061","0.0001","90","","98.63","0.0008","90","","1215.38","0.02","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated N-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0403","0.0401","","0.1072","0.1066","0.1072","","","","","","1.0007","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157778","7.702","0.0001","11.2053","0.0002","14.0796","0.0002","90","","90.9742","0.0014","90","","1214.94","0.03","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated N-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0524","0.0512","","0.1395","0.138","0.1395","","","","","","1.0009","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157779","11.0485","0.0006","7.5574","0.0003","14.9506","0.0007","90","","108.179","0.005","90","","1186.03","0.1","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated N-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0598","0.0555","","0.1504","0.1436","0.1504","","","","","","0.9961","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157798","8.8532","0.0001","13.7373","0.0002","11.5286","0.0002","90","","107.761","0.002","90","","1335.27","0.04","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O6 -","- C28 H26 F3 N3 O6 -","- C56 H52 F6 N6 O12 -","2","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF3 appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0885","0.0893","","","","","","1.095","","","","has coordinates","260817","2021-01-07","07:07:20",""
"7157806","8.1617","0.0004","24.6313","0.0011","11.5178","0.0007","90","","91.993","0.005","90","","2314.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","2","","Liu, Shuai-Jiang; Mao, Qing; Zhan, Gu; Qin, Rui; Chen, Ben-Hong; Xue, Jing; Luo, Meng-Lan; Zhao, Qian; Han, Bo","Stereoselective synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam through the organocatalytic cascade reaction of 3-((2,2,2-trifluoroethyl)amino)indolin-2-one.","Organic & biomolecular chemistry","2021","19","2","467","475","10.1039/d0ob02166k","","x-ray","0.71073","MoKα","","0.0763","0.0505","","","0.1091","0.122","","","","","","1.026","","","","has coordinates","261761","2021-02-04","23:30:52",""
"7157828","8.3","0.002","6.2591","0.0006","9.34","0.002","90","","108.02","0.02","90","","461.42","0.16","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","","0.71073","MoKα","","0.0378","0.0302","","","0.0742","0.076","","","","","","1.054","","","","has coordinates","262710","2021-03-05","02:23:51",""
"7157831","7.9985","0.0006","10.3197","0.0006","22.414","0.0014","90","","93.464","0.002","90","","1846.7","0.2","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hygrophorone A12","","- C18 H32 O4 -","- C18 H32 O4 -","- C72 H128 O16 -","4","2","","Das, Sayani; Dalal, Anu; Gholap, Shivajirao L.","Stereoselective total syntheses of (-)-hygrophorone A12, 4-O-acetyl-hygrophorone A12 and (+)-hygrophorone B12.","Organic & biomolecular chemistry","2021","19","5","1100","1108","10.1039/d0ob02303e","","","0.71073","MoKα","","0.0862","0.0501","","","0.1023","0.1169","","","","","","1.025","","","","has coordinates","262706","2021-03-05","02:23:26",""
"7157835","12.14946","0.00015","6.86531","0.00007","15.15149","0.00018","90","","108.158","0.0013","90","","1200.85","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0843","0.0849","","","","","","1.026","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157839","8.1897","0.0003","12.2546","0.0005","10.5538","0.0004","90","","90.193","0.003","90","","1059.19","0.07","295.1","0.4","295.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C48 H40 N4 O4 S2 -","2","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals via cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0531","0.0492","","","0.1245","0.1319","","","","","","1.033","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157846","6.1764","0.0002","22.3986","0.0006","16.9215","0.0005","90","","94.563","0.001","90","","2333.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","2","","Chen, Yan-Ni; Ding, Xiao; Li, Dong-Mei; Sun, Mao; Yang, Lei; Zhang, Yu; Di, Ying-Tong; Fang, Xin; Hao, Xiao-Jiang","Diterpenoids with an unprecedented ring system from Euphorbia peplus and their activities in the lysosomal-autophagy pathway.","Organic & biomolecular chemistry","2021","19","7","1541","1545","10.1039/d0ob02414g","","","1.54178","CuKα","","0.0288","0.0285","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates,has disorder","262723","2021-03-05","02:26:19",""
"7157850","4.7659","0.0003","12.6787","0.0007","11.0168","0.0006","90","","95.803","0.002","90","","662.28","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Dong, Sanfeng; Zhao, Yitian; Shi, Yulong; Xu, Zhijian; Shen, Jingshan; Jia, Qi; Li, Yiming; Chen, Kaixian; Li, Bo; Zhu, Weiliang","One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-cis glycosylamines bearing various protected groups.","Organic & biomolecular chemistry","2021","19","7","1580","1588","10.1039/d0ob02477e","","","1.54184","CuKα","","0.0293","0.0279","","","0.0652","0.0663","","","","","","1.042","","","","has coordinates","262722","2021-03-05","02:26:12",""
"7157894","8.6212","0.0009","11.7654","0.0012","12.0329","0.0012","90","","100.743","0.005","90","","1199.1","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl N O2 -","- C28 H26 Cl N O2 -","- C56 H52 Cl2 N2 O4 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0861","0.0511","","","0.1545","0.1678","","","","","","1.059","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157895","11.768","0.003","8.713","0.004","12.22","0.004","90","","96.67","0.02","90","","1244.5","0.8","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C58 H58 N2 O6 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0467","0.0415","","","0.1152","0.1222","","","","","","1.046","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157919","10.14","0.0008","4.0229","0.0004","10.8744","0.0012","90","","98.89","0.007","90","","438.26","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0998","0.063","","","0.1466","0.1688","","","","","","1.058","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157930","6.7974","0.0012","13.92","0.002","9.9497","0.0018","90","","91.655","0.006","90","","941","0.3","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","tk287","","","- C18 H19 N9 O2 -","- C18 H19 N9 O2 -","- C36 H38 N18 O4 -","2","1","","Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas","Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.","Organic & biomolecular chemistry","2021","19","13","2907","2911","10.1039/d1ob00083g","","","0.71073","MoKα","","0.073","0.0486","","","0.1241","0.1413","","","","","","0.866","","","","has coordinates","264947","2021-05-05","09:03:26",""
"7157940","5.1792","0.0001","13.1666","0.0003","6.8217","0.0002","90","","97.057","0.002","90","","461.664","0.019","150","","150","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C20 H20 Cl2 N2 O2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0411","0.0407","","0.1067","0.1061","0.1067","","","","","","0.9111","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157973","15.2574","0.0002","8.055","0.0001","18.4264","0.0004","90","","96.396","0.002","90","","2250.48","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl2 N4 O4 -","- C55 H46 Cl2 N4 O4 -","- C110 H92 Cl4 N8 O8 -","2","1","","Wei, Ran; Gao, Li; Li, Gaihui; Tang, Li; Zhang, Guoshun; Zheng, Feilang; Song, Heng; Li, Qingshan; Ban, Shurong","Squaramide-catalysed asymmetric Friedel-Crafts alkylation of naphthol and unsaturated pyrazolones.","Organic & biomolecular chemistry","2021","19","15","3370","3373","10.1039/d1ob00347j","","","1.54178","CuKα","","0.0711","0.0613","","","0.1605","0.168","","","","","","1.082","","","","has coordinates","264962","2021-05-05","09:05:21",""
"7158000","10.5703","0.0002","18.2177","0.0004","13.5717","0.0003","90","","98.191","0.001","90","","2586.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","2","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0285","0.0282","","","0.0727","0.0731","","","","","","1.04","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158051","11.3249","0.00016","10.11966","0.00012","11.47015","0.00015","90","","106.002","0.0014","90","","1263.59","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C58 H58 F2 N4 O6 -","2","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0709","","","","","","1.039","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158053","12.4146","0.0006","9.1711","0.0005","13.5882","0.0008","90","","105.086","0.005","90","","1493.77","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Nipate, Dhananjay S.; Shinde, Vikki N.; Rangan, Krishnan; Kumar, Anil","Switchable regioselective hydroalkylation of 2-arylindoles with maleimides.","Organic & biomolecular chemistry","2021","19","22","4910","4921","10.1039/d1ob00690h","","x-ray","1.54184","CuKα","","0.0903","0.0862","","","0.2693","0.2721","","","","","","1.094","","","","has coordinates","267233","2021-07-05","18:11:49",""
"7158082","10.7761","0.0005","8.5009","0.0004","11.6925","0.0005","90","","112.539","0.002","90","","989.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H16 Cl N O S -","- C24 H16 Cl N O S -","- C48 H32 Cl2 N2 O2 S2 -","2","1","","Meng, Beibei; Shi, Qian; Meng, Yuan; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu","Asymmetric catalytic alkynylation of thiazolones and azlactones for synthesis of quaternary α-amino acid precursors.","Organic & biomolecular chemistry","2021","19","23","5087","5092","10.1039/d1ob00582k","","","1.54178","CuKα","","0.0229","0.0227","","","0.0607","0.0609","","","","","","1.038","","","","has coordinates","267251","2021-07-05","18:15:01",""
"7158117","9.4481","0.0004","10.3898","0.0005","17.997","0.0009","90","","96.944","0.004","90","","1753.7","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","2","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones via rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0629","0.0477","","","0.138","0.1557","","","","","","1.071","","","","has coordinates,has disorder","268938","2021-09-06","12:29:22",""
"7158157","8.6611","0.0003","13.0943","0.0003","10.2975","0.0003","90","","110.729","0.003","90","","1092.25","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0275","0.0262","","","0.0617","0.0626","","","","","","1.035","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158162","9.0334","0.0002","8.7125","0.0002","12.1508","0.0003","90","","94.034","0.002","90","","953.94","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N5 O2 S2 -","- C17 H19 N5 O2 S2 -","- C34 H38 N10 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","0.71073","MoKα","","0.0452","0.0401","","","0.103","0.1091","","","","","","1.054","","","","has coordinates","268910","2021-09-06","12:22:33",""
"7158163","10.1096","0.0003","8.1557","0.0002","10.7216","0.0004","90","","110.545","0.004","90","","827.78","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C30 H32 N8 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","1.54184","CuKα","","0.0388","0.0379","","","0.0952","0.0965","","","","","","1.042","","","","has coordinates,has disorder","268910","2021-09-06","12:22:37",""
"7158164","12.3447","0.001","5.563","0.0005","17.4342","0.0015","90","","104.256","0.002","90","","1160.4","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.0859","0.0472","","","0.1126","0.127","","","","","","0.989","","","","has coordinates","268908","2021-09-06","12:19:38",""
"7158211","11.359","0.003","12.15","0.003","19.406","0.005","90","","94.359","0.007","90","","2670.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3'R,4'S)-3'-(3,4-dimethoxyphenyl)-1''-phenyl-5'-thioxodispiro[indene-2,2'-pyrrolidine-4',3''-pyrrolidine]-1,4'',5''(3H)-trione","","- C29 H24 N2 O5 S -","- C29 H24 N2 O5 S -","- C116 H96 N8 O20 S4 -","4","2","","Hou, Xi-Qiang; Wen, Jiang-Bo; Yan, Li; Du, Da-Ming","Squaramide-catalysed asymmetric Michael addition/cyclization cascade reaction of 4-arylmethylidene-2,3-dioxopyrrolidines with 2-isothiocyanato-1-indanones.","Organic & biomolecular chemistry","2021","19","33","7181","7185","10.1039/d1ob01223a","","","0.71073","MoKα","","0.0998","0.0674","","","0.1654","0.18","","","","","","0.966","","","","has coordinates","268932","2021-09-06","12:28:11",""
"7158217","4.9824","0.0002","11.7685","0.0005","10.6674","0.0005","90","","101.617","0.002","90","","612.67","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","Rupestine D","Rupestine D","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0395","0.0383","","","0.1012","0.1025","","","","","","1.073","","","","has coordinates","268924","2021-09-06","12:26:11",""
"7158218","11.7384","0.001","5.679","0.005","12.3352","0.001","90","","116.405","0.018","90","","736.5","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 B F N2 O2 -","- C17 H14 B F N2 O2 -","- C34 H28 B2 F2 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0468","0.0381","","","0.1074","0.1424","","","","","","1.052","","","","has coordinates","268951","2021-09-06","12:33:28",""
"7158223","9.206","0.013","20.92","0.05","13.58","0.02","90","","98.09","0.17","90","","2589","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H69 B F N3 O6 -","- C44 H69 B F N3 O6 -","- C88 H138 B2 F2 N6 O12 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.0603","0.0544","","","0.1517","0.1714","","","","","","1.159","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158247","10.913","0.004","7.442","0.003","16.072","0.005","90","","101.62","0.03","90","","1278.5","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C68 H56 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54178","CuKα","","0.2178","0.1184","","","0.2748","0.3523","","","","","","0.933","","","","has coordinates","269789","2021-10-06","16:17:28",""
"7158265","8.8556","0.0003","6.92143","0.00019","9.428","0.0003","90","","111.887","0.004","90","","536.22","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0404","0.0399","","","0.1079","0.1086","","","","","","1.054","","","","has coordinates","268952","2021-09-06","12:33:37",""
"7158268","6.8325","0.0003","15.642","0.0008","8.9374","0.0005","90","","92.861","0.005","90","","953.98","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C48 H36 N4 O2 S2 -","2","1","","Li, Chen-Yi; Xiang, Min; Zhang, Jian; Li, Wen-Sheng; Zou, Ying; Tian, Fang; Wang, Li-Xin","Organocatalytic enantioselective aza-Friedel-Crafts reaction between benzothiazolimines and 2-naphthols for the preparation of chiral 2'-aminobenzothiazolomethyl naphthols.","Organic & biomolecular chemistry","2021","19","35","7690","7694","10.1039/d1ob01443a","","x-ray","1.54184","CuKα","","0.0676","0.0566","","","0.1347","0.1433","","","","","","1.048","","","","has coordinates","269788","2021-10-06","16:16:55",""
"7158283","8.2775","0.0007","5.2464","0.0005","17.4065","0.0011","90","","92.906","0.007","90","","754.94","0.11","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O -","- C17 H17 Br O -","- C34 H34 Br2 O2 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed para-selective allylation of phenols: access to 4-[(E)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.122","0.0554","","","0.1538","0.2172","","","","","","0.977","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158287","6.59045","0.00005","19.69096","0.00012","23.49012","0.00017","90","","90","","90","","3048.37","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H23 Br O6 -","- C35 H23 Br O6 -","- C140 H92 Br4 O24 -","4","2","","Yan, Juzhang; Zheng, Xiurong; Zheng, Yangqing; Zhan, Ruoting; Huang, Huicai","Asymmetric Michael reaction of 3-homoacyl coumarins with chromone-fused dienes toward enantioenriched coumarin chromone skeletons.","Organic & biomolecular chemistry","2021","19","37","8102","8107","10.1039/d1ob01200b","","x-ray","1.54184","CuKα","","0.0467","0.0453","","","0.1279","0.1293","","","","","","1.045","","","","has coordinates","269777","2021-10-06","16:14:21",""
"7158329","11.1401","0.0003","28.7617","0.0007","11.7457","0.0003","90","","90.521","0.001","90","","3763.26","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","4","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0343","0.0324","","","0.0805","0.0817","","","","","","1.025","","","","has coordinates,has disorder","270497","2021-11-06","20:40:58",""
"7158385","7.7803","0.0002","9.3559","0.0003","14.8204","0.0004","90","","90.009","0.003","90","","1078.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N3 O4 -","- C22 H20 Cl N3 O4 -","- C44 H40 Cl2 N6 O8 -","2","1","","Kaur, Banni Preet; Sharma, Vivek; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Low catalyst loading enabled organocatalytic synthesis of chiral bis-heterocyclic frameworks containing pyrazole and isoxazole.","Organic & biomolecular chemistry","2021","19","45","9910","9924","10.1039/d1ob01313k","","x-ray","0.71073","MoKα","","0.0806","0.0561","","","0.1366","0.17","","","","","","1.087","","","","has coordinates","271230","2021-12-07","03:55:56",""
"7158403","4.5957","0.0003","22.3241","0.0011","14.097","0.0009","90","","92.802","0.003","90","","1444.55","0.15","99.99","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N9 O3 -","- C32 H33 N9 O3 -","- C64 H66 N18 O6 -","2","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic vs. [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0508","0.0434","","","0.1097","0.115","","","","","","1.054","","","","has coordinates","271221","2021-12-07","03:53:28",""
"7158422","8.9945","0.0002","8.987","0.0002","14.4355","0.0003","90","","94.766","0.001","90","","1162.84","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N2 O6 P -","- C21 H29 N2 O6 P -","- C42 H58 N4 O12 P2 -","2","1","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","0.71073","MoKα","","0.0359","0.032","","","0.0848","0.0888","","","","","","1.054","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158438","8.37408","0.00012","26.0423","0.0003","13.33213","0.00018","90","","94.8115","0.0014","90","","2897.23","0.07","112.65","0.1","112.65","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H28 N2 O9 -","- C37 H28 N2 O9 -","- C148 H112 N8 O36 -","4","2","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[d][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.041","0.0392","","","0.0956","0.0977","","","","","","1.022","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158451","11.3198","0.0004","16.1408","0.0004","12.8871","0.0006","90","","112.596","0.0009","90","","2173.86","0.14","220","2","220","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H56 N4 O12 S2 -","- C38 H56 N4 O12 S2 -","- C76 H112 N8 O24 S4 -","2","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a cis-4-aminopiperidine-3-carboxylic acid (cis-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.71073","MoKα","","0.0597","0.038","","","0.0725","0.0796","","","","","","1.023","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158459","14.1584","0.0016","4.6034","0.0005","14.9562","0.0016","90","","113.249","0.005","90","","895.64","0.17","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from Aspergillus ustus 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0964","0.0851","","","0.2271","0.237","","","","","","1.064","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158461","14.126","0.004","4.5761","0.0013","14.955","0.005","90","","113.28","0.012","90","","888","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from Aspergillus ustus 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0572","0.0435","","","0.105","0.1169","","","","","","1.097","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158462","8.5427","0.0004","15.2194","0.0008","14.1219","0.0007","90","","91.418","0.002","90","","1835.49","0.16","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from Aspergillus ustus 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0392","0.0351","","","0.0896","0.097","","","","","","1.094","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158481","7.2736","0.0009","19.217","0.002","19.825","0.002","90","","91.946","0.005","90","","2769.5","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 O4 S Si -","- C28 H42 O4 S Si -","- C112 H168 O16 S4 Si4 -","4","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0841","0.0711","","","0.1814","0.1919","","","","","","1.099","","","","has coordinates,has disorder","272755","2022-02-04","19:59:51",""
"7158490","7.8605","0.0005","11.7131","0.001","13.7225","0.0007","90","","94.58","0.005","90","","1259.41","0.15","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 F2 O4 -","- C31 H22 F2 O4 -","- C62 H44 F4 O8 -","2","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0627","0.0534","","","0.1404","0.1473","","","","","","1.011","","","","has coordinates","273420","2022-03-04","22:24:07",""
"7158503","8.2614","0.0003","13.2824","0.0005","8.9573","0.0003","90","","110.019","0.001","90","","923.51","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Mao, Guoliang; Meng, Chenxiang; Cheng, Fangyuan; Wu, Wenbo; Gao, Yuan-Yuan; Li, Gao-Wei; Liu, Lantao","A palladium-catalyzed sequential Heck coupling/C-C bond activation approach to oxindoles with all-carbon-quaternary centers.","Organic & biomolecular chemistry","2022","20","8","1642","1646","10.1039/d1ob02440j","","","0.71073","MoKα","","0.046","0.0378","","","0.0959","0.1035","","","","","","1.032","","","","has coordinates","273414","2022-03-04","22:23:17",""
"7158509","10.8331","0.0004","24.5894","0.001","13.8643","0.0005","90","","107.06","0.001","90","","3530.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H45 N O3 Si -","- C41 H45 N O3 Si -","- C164 H180 N4 O12 Si4 -","4","2","","He, Xuefeng; Buchotte, Marie; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","A case study of the MAC (masked acyl cyanide) oxyhomologation of N,N-dibenzyl-L-phenylalaninal with anti diastereoselectivity: preparation of (2S,3S)-allophenylnorstatin esters.","Organic & biomolecular chemistry","2022","20","8","1769","1781","10.1039/d1ob02411f","","x-ray","1.54178","CuKα","","0.0318","0.0308","","","0.0787","0.0793","","","","","","1.024","","","","has coordinates","273415","2022-03-04","22:23:24",""
"7158514","11.849","0.004","8.586","0.003","12.73","0.005","90","","94.872","0.014","90","","1290.4","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","2","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.082","0.0791","","","0.1732","0.1783","","","","","","1.086","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158525","14.8186","0.0004","6.1275","0.0002","17.0159","0.0004","90","","103.869","0.003","90","","1500.02","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-nor-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0443","0.041","","","0.1022","0.1045","","","","","","1.037","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158539","10.3357","0.0003","7.9301","0.0002","13.6175","0.0004","90","","107.526","0.003","90","","1064.32","0.05","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diethyl 2-(tert-butylcarboxyamino)-2-(1-methylindol-3-yl)propanedioate","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","","Asahara, Haruyasu; Bonkohara, Atsushi; Takagi, Masaya; Iwai, Kento; Ito, Akitaka; Yoshioka, Kotaro; Tani, Shinki; Umezu, Kazuto; Nishiwaki, Nagatoshi","Development of synthetic equivalent of α,α-dicationic acetic acid leading to unnatural amino acid derivatives via tetrafunctionalized methanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02482E","","","0.71073","MoKα","","0.0486","0.0443","","","0.1137","0.1163","","","","","","1.046","","","","has coordinates","273174","2022-02-26","01:34:50",""
"7158548","11.56","0.0002","7.67541","0.00019","16.0245","0.0003","90","","105.743","0.002","90","","1368.48","0.05","199.99","0.1","199.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H30 N2 O3 -","- C35 H30 N2 O3 -","- C70 H60 N4 O6 -","2","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.0331","0.0326","","","0.0881","0.0889","","","","","","1.059","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158551","8.14005","0.00014","15.6385","0.0002","10.95867","0.00019","90","","99.0409","0.0017","90","","1377.69","0.04","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O3 -","- C30 H48 O3 -","- C60 H96 O6 -","2","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.0332","0.0319","","","0.0845","0.0853","","","","","","1.064","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158558","12.4129","0.0001","6.4432","0.0001","24.3361","0.0003","90","","101.14","0.001","90","","1909.7","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C80 H96 Cl4 N4 O16 -","4","2","","Yan, Jiahang; Zhang, Wenting; He, Qiaoqiao; Hou, Jun; Zeng, Hongxin; Wei, Hongbo; Xie, Weiqing","Enantioselective direct vinylogous Michael addition for constructing enantioenriched γ,γ-dialkyl substituted butyrolactams and octahydroindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00112H","","x-ray","1.54184","CuKα","","0.0315","0.0299","","","0.0866","0.0878","","","","","","1.078","","","","has coordinates","273519","2022-03-08","01:32:52",""
"7158562","9.3537","0.0003","12.1471","0.0004","11.0218","0.0003","90","","104.661","0.003","90","","1211.53","0.07","299","","299","","","","100","","","","","4","P 1 21 1","P 2yb","4","","(+)-4b","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.0421","0.037","","0.0943","0.0886","0.0943","","","","","","0.9451","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158565","7.1449","0.0009","15.429","0.003","11.89","0.002","90","","99.952","0.015","90","","1291","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 I2 N8 O12 -","- C16 H26 I2 N8 O12 -","- C32 H52 I4 N16 O24 -","2","1","","Mathe-Allainmat, Monique; LeBreton, Jacques; Sierocki, Pierre; Guillemont, Jerome; Tessier, Arnaud; Arzel, Laurence; Grosse, Sandrine; Gaillard, Krystal; Arellano-Reyes, Ruben Arturo; Lambert, Emilie; Donnard, Chloe","Synthesis of novel C-nucleoside analogues bearing an anomeric cyano and a 1,2,3-triazole nucleobase as potential antiviral agents","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02451E","","","1.54184","CuKα","","0.0904","0.0641","","","0.1486","0.1763","","","","","","0.997","","","","has coordinates","273580","2022-03-10","01:37:24",""
"7158573","9.6028","0.0009","14.6741","0.0013","16.227","0.0015","90","","95.398","0.002","90","","2276.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 B O P -","- C24 H33 B O P -","- C96 H132 B4 O4 P4 -","4","2","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.1054","0.0608","","","0.1396","0.1599","","","","","","0.958","","","","has coordinates","273767","2022-03-18","01:38:04",""
"7158598","10.091","0.003","6.9401","0.0017","13.251","0.003","90","","93.847","0.01","90","","925.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0591","0.045","","","0.0988","0.1064","","","","","","1.055","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158599","9.675","0.002","8.97","0.002","11.079","0.003","90","","112.311","0.009","90","","889.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0331","0.031","","","0.0784","0.0799","","","","","","1.002","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158600","9.705","0.003","8.9445","0.0019","11.226","0.002","90","","110.39","0.004","90","","913.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0579","0.0428","","","0.0913","0.0974","","","","","","1.049","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158605","6.1605","0.0012","9.3672","0.0016","32.178","0.007","90","","94.85","0.008","90","","1850.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","2","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0692","0.0512","","","0.0985","0.106","","","","","","1.01","","","","has coordinates,has disorder","274092","2022-03-30","00:22:35",""
"7158619","10.537","0.006","10.802","0.006","15.329","0.008","90","","94.978","0.015","90","","1738.2","1.7","303","2","302.81","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.1727","0.0933","","","0.1758","0.2079","","","","","","1.045","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158620","10.7002","0.0011","6.0652","0.0007","11.85","0.0012","90","","99.659","0.003","90","","758.15","0.14","126","2","126.44","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H25 N O5 -","- C13 H25 N O5 -","- C26 H50 N2 O10 -","2","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.054","0.0525","","","0.1359","0.1366","","","","","","1.157","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158625","10.4688","0.0001","15.0424","0.0001","14.4588","0.0001","90","","104.344","0.001","90","","2205.93","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H34 Cl2 I2 N2 O4 -","- C51 H34 Cl2 I2 N2 O4 -","- C102 H68 Cl4 I4 N4 O8 -","2","1","","Wang, Ying; Yang, Yang; Xu, Shiyu; Huang, Aima; Chen, Lu; Xie, Yubao; Liu, Pengyutian; Hong, Liang; Li, Guofeng","Organocatalytic enantioselective construction of axially chiral (1H)-isochromen-1-imines.","Organic & biomolecular chemistry","2022","20","16","3277","3282","10.1039/d2ob00379a","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0663","0.0698","","","","","","1.095","","","","has coordinates","275062","2022-05-05","20:55:02",""
"7158668","13.9823","0.0004","7.7311","0.0002","17.3343","0.0005","90","","92.675","0.003","90","","1871.77","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin","Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00585A","","x-ray","1.54184","CuKα","","0.0894","0.0811","","","0.202","0.2126","","","","","","1.041","","","","has coordinates","275091","2022-05-06","00:29:58",""
"7158686","9.7252","0.0004","7.2357","0.0003","10.0005","0.0004","90","","98.737","0.002","90","","695.56","0.05","170","2","170.04","","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-avicenine A","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from Zanthoxylum avicennae.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0401","0.0351","","","0.0812","0.0869","","","","","","1.051","","","","has coordinates","275826","2022-06-06","02:05:54",""
"7158687","8.5948","0.0003","8.5216","0.0003","18.7212","0.0006","90","","100.035","0.001","90","","1350.19","0.08","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-Myrtopsine","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from Zanthoxylum avicennae.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0361","0.0331","","","0.0843","0.0874","","","","","","1.065","","","","has coordinates","275826","2022-06-06","02:05:56",""
"7158692","10.8392","0.001","6.9083","0.0006","13.2119","0.0011","90","","108.035","0.003","90","","940.71","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O4 -","- C21 H14 N2 O4 -","- C42 H28 N4 O8 -","2","1","","Naharwal, Sushma; Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Bajaj, Kiran; Mandal, Sanjay; Sakhuja, Rajeev","Ruthenium-Catalyzed (Spiro)Annulation of N-Aryl-2,3-dihydrophthalazine-1,4-diones with Quinones to Access Pentacyclic Spiro-Indazolones and Fused-Cinnolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00493C","","","0.71073","MoKα","","0.1613","0.1454","","","0.3853","0.4103","","","","","","1.706","","","","has coordinates","275355","2022-05-12","00:35:57",""
"7158724","9.0271","0.0006","10.9083","0.0006","11.1404","0.0008","90","","105.79","0.007","90","","1055.6","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 Cl2 N3 O2 S2 -","- C22 H17 Cl2 N3 O2 S2 -","- C44 H34 Cl4 N6 O4 S4 -","2","1","","Liu, Ren-Ming; Zhang, Min; Han, Xiao-Xue; Liu, Xiong-Li; Pan, Bo-Wen; Tian, You-Ping; Peng, Li-Jun; Yuan, Weicheng","Catalytic asymmetric Michael/cyclization of 3 isothiocyanato thiobutyrolactone: an approach to the construction of a library of bispiro[pyrazolone-thiobutyrolactone] skeletons","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00773H","","x-ray","0.71073","MoKα","","0.0416","0.0359","","","0.0685","0.0709","","","","","","0.978","","","","has coordinates","275935","2022-06-09","00:42:51",""
"7158760","10.2003","0.0006","9.935","0.0005","19.3125","0.001","90","","97.101","0.001","90","","1942.12","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2'R,3S,4'S)-di-tert-butyl 6-chloro-4'-((3-methyl-4-nitroisoxazol-5-yl)methyl)-2-oxo-1'-tosyl-2',4'-dihydro-1'H-spiro[indoline-3,3'-quinoline]-1,2'-dicarboxylate","","- C38 H39 Cl N4 O10 S -","- C38 H39 Cl N4 O10 S -","- C76 H78 Cl2 N8 O20 S2 -","2","1","","Li, Tong-Hao; Niu, Cheng; Du, Da-Ming","Enantioselective synthesis of isoxazole-containing spirooxindole tetrahydroquinolines via squaramide-catalysed cascade reactions.","Organic & biomolecular chemistry","2022","20","28","5582","5588","10.1039/d2ob00864e","","","0.71073","MoKα","","0.0997","0.0758","","","0.2016","0.2268","","","","","","1.006","","","","has coordinates,has disorder","277144","2022-08-06","12:03:26",""
"7158786","8.4928","0.0004","22.3408","0.0009","9.675","0.0004","90","","90.005","0.002","90","","1835.7","0.14","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C56 H118 O43 Si4 -","- C56 H118 O43 Si4 -","- C56 H118 O43 Si4 -","1","0.5","","Choutka, Jan; Kratochvíl, Michal; Císařová, Ivana; Pohl, Radek; Kaminský, Jakub; Parkan, Kamil","Silicon-bridged (1→ 1)-disaccharides: an umpoled glycomimetic scaffold.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01161a","","","0.71073","MoKα","","0.0293","0.029","","","0.0815","0.0816","","","","","","1.041","","","","has coordinates","276873","2022-07-23","02:29:53",""
"7158804","10.2351","0.0003","8.1643","0.0002","20.5765","0.0005","90","","98.163","0.001","90","","1702","0.08","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N O4 P -","- C15 H24 N O4 P -","- C60 H96 N4 O16 P4 -","4","2","","Sun, Jian-Ting; Li, Xin; Yang, Tian-Yu; Lv, Min; Chen, Ling-Yan; Wei, Bang-Guo","In(OTf)3-catalyzed N-α phosphonylation of N,O-acetals with triethyl phosphite","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01196D","","","0.71073","MoKα","","0.0588","0.0536","","","0.1411","0.1477","","","","","","1.049","","","","has coordinates,has disorder","277010","2022-07-30","00:35:22",""
"7158820","8.7602","0.0018","10.6","0.002","10.571","0.002","90","","111.369","0.006","90","","914.1","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.1197","0.0534","","","0.1244","0.1511","","","","","","0.986","","","","has coordinates","277204","2022-08-11","00:39:07",""
"7158836","9.3139","0.0003","10.3854","0.0003","24.6159","0.0007","90","","90.422","0.002","90","","2381","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-isobutyl ACPC tetramer","","- C46 H78 F3 N5 O7 -","- C46 H78 F3 N5 O7 -","- C92 H156 F6 N10 O14 -","2","1","","Kim, Jungyeon; Kobayashi, Hiroka; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Takeuchi, Koh; Umezawa, Koji; Kuroda, Daisuke; Tsumoto, Kouhei; Morimoto, Jumpei; Sando, Shinsuke","Residue-based program of a β-peptoid twisted strand shape via a cyclopentane constraint","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01300B","","","1.54184","CuKα","","0.0393","0.0363","","","0.0943","0.0963","","","","","","1.0556","","","","has coordinates","277353","2022-08-23","00:31:39",""
"7158848","9.2538","0.0003","9.4315","0.0003","11.3689","0.0003","90","","95.714","0.001","90","","987.32","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O7 -","- C20 H31 N O7 -","- C40 H62 N2 O14 -","2","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","1.54178","CuKα","","0.025","0.0246","","","0.064","0.0645","","","","","","1.047","","","","has coordinates","277406","2022-08-26","00:32:39",""
"7158849","7.881","0.0006","27.687","0.002","7.9772","0.0006","90","","100.257","0.003","90","","1712.8","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl4 N2 O11 -","- C36 H44 Cl4 N2 O11 -","- C72 H88 Cl8 N4 O22 -","2","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","1.54178","CuKα","","0.1136","0.1085","","","0.2935","0.3041","","","","","","1.571","","","","has coordinates","277406","2022-08-26","00:32:39",""
"7158859","16.4016","0.0006","7.9236","0.0002","21.2919","0.0007","90","","98.009","0.003","90","","2740.1","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H88 N6 -","- C62 H88 N6 -","- C124 H176 N12 -","2","1","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","0.71073","MoKα","","0.0757","0.0523","","","0.0961","0.106","","","","","","1.028","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158861","6.3881","0.0004","11.947","0.0007","15.7014","0.0009","90","","98.325","0.003","90","","1185.68","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N O6 -","- C28 H35 N O6 -","- C56 H70 N2 O12 -","2","1","","He, Juan; Yu, Wei-Wei; Isaka, Masahiko; Cox, Russell J.; Liu, Ji-Kai; Feng, Tao","Antroxazole A, an oxazole-containing chamigrane dimer from the fungus Antrodiella albocinnamomea with immunosuppressive activity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01443B","","","1.54178","CuKα","","0.0482","0.041","","","0.1094","0.1168","","","","","","0.85","","","","has coordinates","277528","2022-09-01","00:52:11",""
"7158866","7.5487","0.0003","9.0604","0.0003","19.9497","0.0008","90","","99.087","0.004","90","","1347.32","0.09","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48.8 O -","- C30 H48.8 O -","- C60 H97.6 O2 -","2","1","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0473","0.045","","","0.1169","0.12","","","","","","1.072","","","","has coordinates,has disorder","277701","2022-09-07","00:35:15",""
"7158880","10.892","0.0003","9.1572","0.0003","20.2956","0.0006","90","","92.65","0.002","90","","2022.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0885","0.0662","","","0.1643","0.1822","","","","","","1.025","","","","has coordinates,has disorder","277745","2022-09-09","00:36:23",""
"7158900","7.2094","0.0004","7.5386","0.0003","19.1587","0.0008","90","","98.214","0.003","90","","1030.57","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N4 O9 -","- C19 H20 N4 O9 -","- C38 H40 N8 O18 -","2","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0565","0.0528","","","0.1483","0.1521","","","","","","1.06","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158928","7.8108","0.0002","6.5963","0.0002","13.6805","0.0004","90","","96.914","0.002","90","","699.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Bannykh, Anton; Levashova, Ekaterina; Bakulina, Olga; Krasavin, Mikhail","New Reagent Space and New Scope for the Castagnoli-Cushman Reaction of Oximes and 3-Arylglutaconic anhydrides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01675C","","x-ray","1.54184","CuKα","","0.0328","0.0322","","","0.0834","0.084","","","","","","1.064","","","","has coordinates","278601","2022-10-15","00:43:29",""
"7158938","11.5874","0.0003","6.3337","0.0002","15.8579","0.0004","90","","92.194","0.001","90","","1162.98","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 N O3 Si -","- C24 H35 N O3 Si -","- C48 H70 N2 O6 Si2 -","2","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","0.71073","MoKα","","0.0308","0.0274","","","0.0657","0.0686","","","","","","1.044","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158947","10.21076","0.00011","11.6131","0.00012","11.52057","0.00012","90","","101.561","0.001","90","","1338.38","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O5 S -","- C29 H32 N2 O5 S -","- C58 H64 N4 O10 S2 -","2","1","","Kumar, Dharmendra; Chaudhary, Dhananjay; Km, Ishu; Yadav, Suman; Maurya, Naveen Kumar; Kant, Ruchir; Kuram, Malleswara Rao","Copper-catalyzed cascade reaction of tryptamines with diazo compounds to access hexahydropyrroloindoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01635D","","","1.54184","CuKα","","0.0613","0.0549","","","0.1261","0.1292","","","","","","1.093","","","","has coordinates","278644","2022-10-20","00:40:49",""
"7158959","6.573","0.0002","14.9361","0.0004","8.6462","0.0002","90","","91.596","0.001","90","","848.51","0.04","170","2","169.97","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.032","0.0295","","","0.0724","0.0744","","","","","","1.052","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158963","8.9073","0.0002","10.3176","0.0002","19.2439","0.0004","90","","98.151","0.001","90","","1750.69","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.54178","CuKα","","0.0376","0.037","","","0.1007","0.1015","","","","","","1.084","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158969","11.4056","0.0003","7.6851","0.0001","13.5446","0.0003","90","","112.632","0.003","90","","1095.81","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl3 N2 O S -","- C21 H21 Cl3 N2 O S -","- C42 H42 Cl6 N4 O2 S2 -","2","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0562","0.0537","","","0.1525","0.1561","","","","","","1.059","","","","has coordinates","278922","2022-11-03","01:44:18",""
"7158994","7.6334","0.0003","5.7702","0.0002","11.1406","0.0005","90","","100.426","0.001","90","","482.6","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 F O3 -","- C10 H15 F O3 -","- C20 H30 F2 O6 -","2","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0487","0.0394","","","0.0832","0.0871","","","","","","1.054","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7159012","9.84115","0.00018","34.7841","0.0006","10.1782","0.00018","90","","117.487","0.008","90","","3090.8","0.2","133","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H91 Cl3 N6 O9 -","- C55 H91 Cl3 N6 O9 -","- C110 H182 Cl6 N12 O18 -","2","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0941","0.0677","","","0.1326","0.1437","","","","","","1.082","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159013","5.83","0.0005","16.7011","0.0012","8.443","0.0006","90","","90.811","0.005","90","","821.99","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","45.10F2","45.10F2","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Balo, Rosalino; Fernández, Alberto G.; Chopdat, Adam; Ayadi, Soufian El; Kato, Atsushi; Estévez, Ramón J.; Fleet, George W. J.; Estévez, Juan C.","Stable d-xylose ditriflate in divergent syntheses of dihydroxy prolines, pyrrolidines, tetrahydrofuran-2-carboxylic acids, and cyclic β-amino acids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01255C","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0736","0.0801","","","","","","0.951","","","","has coordinates","279452","2022-11-22","01:38:16",""
"7159019","6.6976","0.0004","10.7016","0.0006","11.0783","0.0006","90","","94.076","0.001","90","","792.03","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0311","0.031","","","0.0923","0.0925","","","","","","1.064","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159021","9.4013","0.0005","26.2244","0.0016","12.2587","0.0007","90","","90.836","0.002","90","","3022","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N O11 -","- C27 H39 N O11 -","- C108 H156 N4 O44 -","4","2","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0549","0.049","","","0.1472","0.1512","","","","","","1.098","","","","has coordinates,has disorder","281548","2023-03-04","18:37:46",""
"7159023","11.2594","0.0006","17.7861","0.0011","17.1349","0.001","90","","92.839","0.002","90","","3427.2","0.3","297","2","297","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H35 Br F N3 O4 S -","- C38 H35 Br F N3 O4 S -","- C152 H140 Br4 F4 N12 O16 S4 -","4","2","","Prasad, Madavi S.; Sivaprakash, Murugesan","Asymmetric synthesis of the perhydroepoxyethanoindole core via sequential [4 + 2]-addition/reduction/fluoroannulation reactions.","Organic & biomolecular chemistry","2023","21","2","339","344","10.1039/d2ob02058k","","","0.71073","MoKα","","0.0718","0.0463","","","0.0849","0.0942","","","","","","1.007","","","","has coordinates","281577","2023-03-04","18:41:35",""
"7159026","10.0208","0.0005","9.4096","0.0005","12.163","0.0007","90","","93.034","0.002","90","","1145.26","0.11","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B F N O3 -","- C23 H29 B F N O3 -","- C46 H58 B2 F2 N2 O6 -","2","1","","Li, Meng; Peng, Guang-Rui; Yang, Xuan; Ma, Zhen-Ning; Xie, Jian-Bo","Enantio- and diastereoselective boron conjugate addition to α-alkyl α,β-unsaturated esters.","Organic & biomolecular chemistry","2022","21","1","53","58","10.1039/d2ob01928k","","","1.34139","GaKα","","0.0609","0.0577","","","0.1624","0.1659","","","","","","1.039","","","","has coordinates,has disorder","281549","2023-03-04","18:37:52",""
"7159029","5.759","0.002","16.083","0.006","10.639","0.004","90","","97.483","0.004","90","","977","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 F3 N O0 Se -","- C23 H16 F3 N Se -","- C46 H32 F6 N2 Se2 -","2","1","","Wei, Guangming; Zhang, Jiajun; Wang, Haoyuan; Chen, Zhengkai; Wu, Xiao-Feng","Radical selenylative cyclization of trifluoromethyl propargyl imines for the synthesis of trifluoromethyl- and seleno-azaspiro[4,5]-tetraenones and quinolines.","Organic & biomolecular chemistry","2023","21","2","284","288","10.1039/d2ob02033e","","","0.71073","MoKα","","0.0612","0.0456","","","0.1106","0.129","","","","","","0.978","","","","has coordinates","281576","2023-03-04","18:41:28",""
"7159032","5.9143","0.0013","10.376","0.002","7.9856","0.0018","90","","105.79","0.006","90","","471.56","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C18 H32 N2 O4 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.081","0.0857","","","","","","1.134","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159043","5.1663","0.0002","14.7442","0.0005","12.9318","0.0005","90","","98.432","0.004","90","","974.41","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C42 H50 Br2 O8 -","2","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0679","0.0544","","","0.1328","0.1402","","","","","","1.041","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159055","12.4038","0.0019","6.0006","0.0009","18.43","0.003","90","","105.886","0.004","90","","1319.4","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","van der Loo, Cornelis H. M.; Schim van der Loeff, Rutger; Martín, Avelino; Gomez-Sal, Pilar; Borst, Mark L. G.; Pouwer, Kees; Minnaard, Adriaan J.","π-Facial selectivity in the Diels-Alder reaction of glucosamine-based chiral furans and maleimides.","Organic & biomolecular chemistry","2023","21","9","1888","1894","10.1039/d2ob02221d","","","0.71073","MoKα","","0.0859","0.0452","","","0.0804","0.0962","","","","","","1.035","","","","has coordinates","283461","2023-05-05","03:19:40",""
"7159070","8.012","0.0001","11.4236","0.0002","18.6445","0.0003","90","","101.794","0.002","90","","1670.43","0.05","104.3","0.8","104.3","0.8","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 N O5 Si2 -","- C32 H53 N O5 Si2 -","- C64 H106 N2 O10 Si4 -","2","1","","Earl, Andrew D. W.; Li, Freda F.; Ma, Chao; Furkert, Daniel P.; Brimble, Margaret A.","Stereoselective synthesis of the spirocyclic core of 13-desmethyl spirolide C using an aza-Claisen rearrangement and an exo-selective Diels-Alder cycloaddition.","Organic & biomolecular chemistry","2023","21","6","1222","1234","10.1039/d2ob01992b","","x-ray","1.54184","CuKα","","0.034","0.0311","","","0.0735","0.0747","","","","","","1.037","","","","has coordinates","281583","2023-03-04","18:42:22",""
"7159073","14.5446","0.0012","7.9372","0.0006","15.4692","0.0013","90","","107.17","0.003","90","","1706.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H35 Cl N2 O7 S -","- C36 H35 Cl N2 O7 S -","- C72 H70 Cl2 N4 O14 S2 -","2","1","","Prasad, Madavi S.; Sivaprakash, Murugesan; Bharani, Sankar; Chowhan, L. Raju","Trienamine catalysed unprecedented remote olefin E/Z isomerisation/[4 + 2]-cycloaddition reaction to access spirooxindole hexahydroindoles.","Organic & biomolecular chemistry","2023","21","5","945","949","10.1039/d2ob02228a","","","0.71073","MoKα","","0.0898","0.0542","","","0.1133","0.1314","","","","","","1.033","","","","has coordinates","281564","2023-03-04","18:40:07",""
"7159084","10.206","0.0005","11.4624","0.0006","12.4467","0.0006","90","","106.937","0.002","90","","1392.92","0.12","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O3 Si -","- C27 H44 N2 O3 Si -","- C54 H88 N4 O6 Si2 -","2","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF6-catalyzed C3 aza-Friedel-Crafts alkylation of N,O-acetals with indoles for the synthesis of N-α indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0435","0.04","","","0.1032","0.1071","","","","","","1.044","","","","has coordinates,has disorder","281585","2023-03-04","18:42:45",""
"7159086","13.5849","0.0003","10.6443","0.0003","15.6105","0.0004","90","","100.498","0.001","90","","2219.52","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 F3 N O4 -","- C25 H30 F3 N O4 -","- C100 H120 F12 N4 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.058","","","0.0986","0.1151","","","","","","1.008","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159088","7.0711","0.0013","10.67","0.002","15.423","0.003","90","","100.581","0.004","90","","1143.9","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 F3 N O4 -","- C26 H32 F3 N O4 -","- C52 H64 F6 N2 O8 -","2","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","x-ray","0.71073","MoKα","","0.0518","0.0414","","","0.1015","0.1102","","","","","","1.044","","","","has coordinates,has disorder","281587","2023-03-04","18:43:32",""
"7159090","10.0899","0.0007","7.6365","0.0005","26.1261","0.0017","90","","98.814","0.003","90","","1989.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.0997","","","0.2873","0.29","","","","","","1.457","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159125","8.681","0.0017","20.795","0.004","17.362","0.004","90","","91.3","0.03","90","","3133.4","1.1","100","","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N2 O6 -","- C34 H34 N2 O6 -","- C136 H136 N8 O24 -","4","2","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0879","0.0801","","","0.2142","0.228","","","","","","1.037","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39",""
"7159128","9.1606","0.0002","24.5485","0.0006","9.1691","0.0002","90","","100.233","0.002","90","","2029.14","0.08","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H96 N16 O20 -","- C84 H96 N16 O20 -","- C84 H96 N16 O20 -","1","0.5","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.1611","0.1315","","","0.3082","0.3433","","","","","","1.289","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159130","5.4722","0.0005","12.8218","0.0009","8.8354","0.0009","90","","105.364","0.01","90","","597.77","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0801","0.0767","","","0.2031","0.2065","","","","","","1.106","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159150","5.107","0.004","24.81","0.02","9.865","0.008","90","","92.955","0.017","90","","1248.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","2","","Aich, Shobhon; Nandi, Rajesh; Chatterjee, Nirbhik; Gayen, Krishnanka S.; Pal, Subhasis; Maiti, Dilip K.","Catalytic I2-moist DMSO-mediated synthesis of valuable α-amidohydroxyketones and unsymmetrical gem-bisamides from benzimidates.","Organic & biomolecular chemistry","2023","21","12","2524","2530","10.1039/d3ob00165b","","","0.71073","MoKα","","0.1834","0.0829","","","0.1819","0.2395","","","","","","1.028","","","","has coordinates","283480","2023-05-05","03:24:52",""
"7159153","10.6287","0.0009","11.9136","0.0007","12.2552","0.0009","90","","113.667","0.01","90","","1421.3","0.2","200","16","200","16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Br N O5 -","- C34 H26 Br N O5 -","- C68 H52 Br2 N2 O10 -","2","1","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones via [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.1056","0.0474","","","0.0706","0.0886","","","","","","1.002","","","","has coordinates","281596","2023-03-04","18:44:57",""
"7159160","7.0317","0.0004","18.8318","0.0012","8.3435","0.0006","90","","99.423","0.002","90","","1089.93","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1154","0.051","","","0.1175","0.1502","","","","","","0.968","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159173","5.5304","0.0001","8.5314","0.0002","10.1412","0.0002","90","","93.371","0.002","90","","477.655","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-(4-chlorophenyl)-4-methyloxazolidin-2-one","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C20 H20 Cl2 N2 O4 -","2","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0199","0.0197","","","0.0521","0.0523","","","","","","1.054","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159181","13.57868","0.00007","5.12531","0.00003","17.35284","0.00009","90","","97.9746","0.0005","90","","1195.99","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Jiang, Yaqin; Chen, Chunmei; Zhu, Hucheng; Li, Qin; Mao, Lina; Liao, Hong; Nan, Yiyang; Wang, Zhiping; Zhou, Hongjian; Zhou, Qun; Zhang, Yonghui","An indole diketopiperazine alkaloid and a bisabolane sesquiterpenoid with unprecedented skeletons from Aspergillus fumigatus.","Organic & biomolecular chemistry","2023","21","10","2236","2242","10.1039/d2ob02220f","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0713","0.0714","","","","","","1.048","","","","has coordinates","283430","2023-05-05","03:09:50",""
"7159218","7.5237","0.0001","22.9939","0.0002","9.7103","0.0001","90","","90.13","0.001","90","","1679.87","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0433","0.0422","","","0.1129","0.1143","","","","","","1.095","","","","has coordinates","283466","2023-05-05","03:21:37",""
"7159223","11.38512","0.00006","9.48447","0.00004","15.80604","0.00008","90","","110.665","0.0006","90","","1596.95","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0276","0.0275","","","0.073","0.0731","","","","","","1.04","","","","has coordinates","283448","2023-05-05","03:15:28",""
"7159226","11.68226","0.00012","9.54123","0.00006","15.99352","0.00016","90","","110.869","0.0011","90","","1665.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0548","0.0548","","","0.1411","0.1412","","","","","","1.067","","","","has coordinates","283448","2023-05-05","03:15:50",""
"7159232","6.6858","0.0004","26.274","0.0017","11.3518","0.0007","90","","102.219","0.003","90","","1948.9","0.2","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C58 H104 N8 O12 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1138","0.0505","","","0.1282","0.1644","","","","","","0.9893","","","","has coordinates","283438","2023-05-05","03:11:34",""
"7159233","13.65","0.013","9.887","0.01","15.827","0.016","90","","112.53","0.03","90","","1973","3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H52 N6 O7 -","- C39 H52 N6 O7 -","- C78 H104 N12 O14 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1539","0.0736","","","0.1508","0.1957","","","","","","1.0396","","","","has coordinates","283438","2023-05-05","03:11:34",""
"7159261","8.4743","0.0001","10.547","0.0001","12.4447","0.0001","90","","98.883","0.001","90","","1098.95","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.066","0.0662","","","","","","1.059","","","","has coordinates","283439","2023-05-05","03:12:17",""
"7159265","7.856","0.0001","18.388","0.0002","8.8363","0.0001","90","","98.51","0.001","90","","1262.4","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C68 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0314","0.0307","","","0.08","0.0808","","","","","","1.021","","","","has coordinates","283439","2023-05-05","03:12:54",""
"7159280","6.3656","0.00004","17.75841","0.00012","9.71022","0.00007","90","","90.3845","0.0006","90","","1097.65","0.013","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O3 -","- C9 H16 Cl N O3 -","- C36 H64 Cl4 N4 O12 -","4","2","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0293","0.0273","","","0.071","0.0722","","","","","","1.059","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159282","11.5597","0.0001","10.5831","0.0001","13.6952","0.0001","90","","108.399","0.001","90","","1589.79","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O6 Si -","- C33 H41 N O6 Si -","- C66 H82 N2 O12 Si2 -","2","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0323","0.0296","","","0.0748","0.0786","","","","","","1.044","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159286","10.469","0.006","9.455","0.006","11.567","0.006","90","","110.556","0.014","90","","1072.1","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 F5 N O4 -","- C22 H20 F5 N O4 -","- C44 H40 F10 N2 O8 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1674","0.0687","","","0.1476","0.2072","","","","","","0.893","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159287","6.216","0.003","5.362","0.003","28.415","0.013","90","","95.424","0.012","90","","942.8","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1436","0.0899","","","0.211","0.2324","","","","","","1.085","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159297","11.7216","0.001","7.9879","0.0006","13.3513","0.0014","90","","113.311","0.012","90","","1148.1","0.2","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O6 Si -","- C21 H29 N O6 Si -","- C42 H58 N2 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0594","0.0436","","0.1173","0.1001","0.1173","","","","","","1.0019","","","","has coordinates,has disorder","284309","2023-06-05","04:51:14",""
"7159299","10.4727","0.0001","8.76","0.0001","28.8275","0.0003","90","","94.2357","0.0009","90","","2637.44","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N O6 Si -","- C27 H33 N O6 Si -","- C108 H132 N4 O24 Si4 -","4","2","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.032","0.0308","","0.0832","0.0816","0.0832","","","","","","1.0042","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159321","7.0003","0.0005","7.5875","0.0003","9.1343","0.0007","90","","106.874","0.007","90","","464.28","0.05","102","4","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6d","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","1.54184","CuKα","","0.042","0.0418","","","0.1152","0.1154","","","","","","1.071","","","","has coordinates,has disorder","284311","2023-06-05","04:51:36",""
"7159322","7.1914","0.0004","10.5484","0.0005","24.6032","0.0013","90","","91.051","0.004","90","","1866.03","0.17","100","0.11","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 O5 Si -","- C18 H28 O5 Si -","- C72 H112 O20 Si4 -","4","2","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","0.71073","MoKα","","0.0667","0.0481","","","0.0988","0.1049","","","","","","1.012","","","","has coordinates","284311","2023-06-05","04:51:36",""
"7159324","6.8198","0.0002","11.6463","0.0004","12.6683","0.0005","90","","99.955","0.003","90","","991.04","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N Si -","- C25 H23 N Si -","- C50 H46 N2 Si2 -","2","1","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0547","0.0532","","","0.1464","0.1483","","","","","","1.1","","","","has coordinates","284318","2023-06-05","04:52:42",""
"7159335","9.35263","0.00013","15.2684","0.0002","9.55302","0.00017","90","","90.5004","0.0015","90","","1364.12","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O6 -","- C30 H40 O6 -","- C60 H80 O12 -","2","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0389","0.0378","","","0.0955","0.0972","","","","","","1.059","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159356","6.4411","0.0008","30.63","0.004","8.013","0.0009","90","","101.461","0.006","90","","1549.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","2","","Mortensen, Kim T.; Wong, Denedy S. Y.; King, Thomas A.; Sore, Hannah F.; Spring, David R.","Synthesis of sp3-rich heterocyclic frameworks by a divergent synthesis strategy.","Organic & biomolecular chemistry","2023","21","22","4591","4595","10.1039/d3ob00351e","","","1.54178","CuKα","","0.1657","0.0748","","","0.1326","0.1673","","","","","","1.006","","","","has coordinates","284962","2023-07-05","10:52:03",""
"7159367","8.6369","0.0001","15.1727","0.0002","13.7486","0.0002","90","","92.342","0.001","90","","1800.18","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(1R,2R)-N,N?-Bis(salicylidene)-1,2-cyclohexanediaminoiron(III) chloride","","- C20 H20 Cl Fe N2 O2 -","- C20 H20 Cl Fe N2 O2 -","- C80 H80 Cl4 Fe4 N8 O8 -","4","2","","Hansen, Nicolai S. B.; Monda, Fabrizio; Bro, Frederik Simonsen; Liu, Xiyue; Ahlquist, Mårten S G; Madsen, Robert","Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(III) salen catalyst.","Organic & biomolecular chemistry","2023","21","23","4794","4800","10.1039/d3ob00466j","","x-ray","1.54184","CuKα","","0.0279","0.0266","","","0.0682","0.0691","","","","","","1.037","","","","has coordinates","284973","2023-07-05","10:58:18",""
"7159368","8.6002","0.0016","15.401","0.003","10.5083","0.0019","90","","92.277","0.005","90","","1390.7","0.5","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N O P -","- C34 H32 N O P -","- C68 H64 N2 O2 P2 -","2","1","","Su, Qin; Hou, Chuan-Jin; Wei, De-Quan; Qin, Hao; Liang, Ding-Hua; Hu, Xiang-Ping","New P,Nsp3 ligands for palladium-catalyzed asymmetric allylic substitutions.","Organic & biomolecular chemistry","2023","21","23","4874","4880","10.1039/d3ob00519d","","","1.54178","CuKα","","0.0291","0.0289","","","0.0788","0.079","","","","","","1.039","","","","has coordinates","284972","2023-07-05","10:57:47",""
"7159389","5.5623","0.0011","18.321","0.003","9.2234","0.0017","90","","91.534","0.016","90","","939.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O -","- C10 H8 F3 N O -","- C40 H32 F12 N4 O4 -","4","2","","Wang, Nana; Du, Youlong; Mei, Haibo; Escorihuela, Jorge; Han, Jianlin","A Cu-promoted reaction of β-keto trifluoromethyl amines enabling stereoselective synthesis of trifluoromethylated aziridines.","Organic & biomolecular chemistry","2023","21","24","4988","4992","10.1039/d3ob00714f","","x-ray","0.71073","MoKα","","0.1106","0.0903","","","0.2458","0.2699","","","","","","1.053","","","","has coordinates","284955","2023-07-05","10:48:26",""
"7159412","8.6585","0.001","6.8558","0.0008","12.0392","0.0014","90","","103.052","0.004","90","","696.2","0.14","149.77","","149.77","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Šlachtová, Veronika; Casaretto, Nicolas; Brulíková, Lucie; Six, Yvan","Bicyclic N-dihalocyclopropylamide derivatives as precursors of nitrogen-containing fused polycyclic systems.","Organic & biomolecular chemistry","2023","21","31","6325","6341","10.1039/d3ob00643c","","","0.71073","MoKα","","0.0631","0.0491","","","0.1262","0.1352","","","","","","1.037","","","","has coordinates,has disorder","286192","2023-09-05","20:23:12",""
"7159417","6.1674","0.0001","28.3059","0.0004","7.817","0.0001","90","","111.001","0.002","90","","1274","0.04","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N2 O7 -","- C27 H38 N2 O7 -","- C54 H76 N4 O14 -","2","1","","Xiao, Wen; Wang, Su-Jing; Yu, Ming-Zhu; Zhang, Xue-Jie; Xiang, Zheng","Chemoenzymatic synthesis of (+)-isoagatholactone, (+)-spongian-16-one, and 3-deoxychavalone A via biocatalytic polyene cyclization.","Organic & biomolecular chemistry","2023","21","27","5527","5531","10.1039/d3ob00206c","","","1.54184","CuKα","","0.0408","0.039","","","0.1066","0.1111","","","","","","1.056","","","","has coordinates","285515","2023-08-05","09:31:28",""
"7159421","6.0206","0.0004","18.0652","0.0012","9.4916","0.0007","90","","100.221","0.003","90","","1015.96","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C40 H58 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0355","0.0318","","","0.0769","0.0804","","","","","","1.047","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159424","5.8356","0.0004","19.1473","0.0011","9.4506","0.0007","90","","98.968","0.004","90","","1043.06","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C44 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1072","0.0734","","","0.1251","0.1377","","","","","","1.149","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159425","5.7979","0.0003","11.3878","0.0006","13.236","0.0007","90","","99.733","0.002","90","","861.33","0.08","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H25 N O2 S2 -","- C15 H25 N O2 S2 -","- C30 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0315","0.0292","","","0.0728","0.0743","","","","","","1.092","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159427","6.0258","0.0004","17.9919","0.0012","9.501","0.0006","90","","99.556","0.002","90","","1015.76","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 S2 -","- C20 H29 N O3 S2 -","- C40 H58 N2 O6 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0617","0.0437","","","0.0818","0.0907","","","","","","1.068","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159435","12.6204","0.0008","6.6213","0.0003","22.7235","0.0014","90","","95.562","0.003","90","","1889.91","0.19","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","2","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0713","0.0594","","","0.1306","0.135","","","","","","1.09","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159459","7.2137","0.0005","6.6371","0.0005","20.4802","0.0015","90","","95.575","0.002","90","","975.91","0.12","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","ortho-[1-(p-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.0736","0.0681","","","0.1838","0.1882","","","","","","1.133","","","","has coordinates","285501","2023-08-05","09:28:57",""
"7159466","7.6869","0.0002","5.978","0.0001","10.041","0.0002","90","","95.575","0.002","90","","459.224","0.017","373","2","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br O3 -","- C9 H11 Br O3 -","- C18 H22 Br2 O6 -","2","1","","Ding, Xiao-Bo; Wung, Alexander; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of the spiroimine fragment of portimines A and B.","Organic & biomolecular chemistry","2023","21","29","6008","6017","10.1039/d3ob00998j","","","1.54184","CuKα","","0.0168","0.0167","","","0.0447","0.0447","","","","","","0.977","","","","has coordinates","285502","2023-08-05","09:29:06",""
"7159479","13.3948","0.0003","6.5207","0.00014","13.5565","0.0003","90","","111.239","0.008","90","","1103.65","0.07","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O -","- C27 H40 O -","- C54 H80 O2 -","2","1","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-epi-habiterpenol via redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.0969","0.0712","","","0.1478","0.1608","","","","","","1.041","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159492","6.0743","0.0001","7.2917","0.0001","12.6835","0.0002","90","","100.602","0.001","90","","552.187","0.015","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H13 N -","- C16 H13 N -","- C32 H26 N2 -","2","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0294","0.0292","","","0.08","0.0801","","","","","","1.09","","","","has coordinates","286793","2023-10-06","00:46:26",""
"7159512","7.3197","0.0001","7.1491","0.0001","10.908","0.0002","90","","96.041","0.002","90","","567.638","0.015","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A cis-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","1.54184","CuKα","","0.0366","0.0355","","","0.0937","0.0951","","","","","","1.064","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159515","11.3533","0.0002","5.068","0.0001","13.1835","0.0002","90","","101.957","0.002","90","","742.1","0.02","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C36 H26 N2 O6 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0369","0.0329","","","0.0854","0.0893","","","","","","1.052","","","","has coordinates","286195","2023-09-05","20:23:41",""
"7159516","12.1758","0.0003","5.3402","0.0001","21.8778","0.0006","90","","101.147","0.003","90","","1395.68","0.06","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H20 Cl4 N2 O2 -","- C30 H20 Cl4 N2 O2 -","- C60 H40 Cl8 N4 O4 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1139","0.1205","","","","","","1.045","","","","has coordinates","286195","2023-09-05","20:23:41",""
"7159517","10.3685","0.0001","10.752","0.0001","15.8732","0.0001","90","","99.443","0.001","90","","1745.6","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","2","","Wang, Xilong; Luo, Yu; Zhao, Jiaji; Luo, Shuang","CPA-catalyzed asymmetric domino thia-Michael/aldol reactions for simultaneous chiral center and axial chirality formation.","Organic & biomolecular chemistry","2023","21","33","6697","6701","10.1039/d3ob01087b","","x-ray","1.54184","CuKα","","0.0385","0.0373","","","0.0998","0.1008","","","","","","1.126","","","","has coordinates","286185","2023-09-05","20:21:52",""
"7159518","5.4603","0.0002","20.5881","0.0009","12.9406","0.0006","90","","93.864","0.002","90","","1451.44","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","2","","Zhao, Jianbo; Wu, Min; Luo, Jiamin; Shi, Lei; Li, Hao","N-Heterocyclic carbene-catalyzed enantioselective annulation of 2-amino-1H-indoles and bromoenals for the synthesis of chiral 2-aryl-2,3-dihydropyrimido[1,2-a]indol-4 (1H)-ones.","Organic & biomolecular chemistry","2023","21","33","6675","6680","10.1039/d3ob01006f","","","1.54178","CuKα","","0.0812","0.0644","","","0.1718","0.1932","","","","","","1.053","","","","has coordinates","286187","2023-09-05","20:22:06",""
"7159538","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Lobanova, Natal'ya A.; Ushakov, Igor A.; Bagryanskaya, Irina Yu; Trofimov, Boris A.","Rapid, room-temperature self-organization of polyarylated 1H-pyrroles from acetylenes and nitriles in the KOBut/DMSO system.","Organic & biomolecular chemistry","2023","21","35","7209","7218","10.1039/d3ob01311a","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286800","2023-10-06","00:47:37",""
"7159560","4.9174","0.0003","16.0704","0.0009","11.619","0.0007","90","","90.199","0.003","90","","918.18","0.09","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ukaji 4a","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C40 H40 N8 O6 -","2","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of C,N-cyclic-N'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0573","0.0562","","","0.1587","0.1597","","","","","","1.075","","","","has coordinates,has disorder","287415","2023-11-06","08:21:58",""
"7159562","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Xie, Xin; Huang, He; Fan, Yu; Luo, Yuan; Pang, Qiwen; Li, Xiang; Huang, Wei","Assembly of spirocyclic pyrazolone-pyrrolo[4,3,2-de]quinoline skeleton via cascade [1,5] hydride transfer/cyclization by C(sp3)-H functionalization.","Organic & biomolecular chemistry","2023","21","36","7300","7304","10.1039/d3ob01063e","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286791","2023-10-06","00:46:06",""
"7159586","7.7332","0.0003","8.4891","0.0004","24.0949","0.0009","90","","95.619","0.002","90","","1574.18","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","relB82 - 17ECA001","","","- C32 H47 N O5 Si -","- C32 H47 N O5 Si -","- C64 H94 N2 O10 Si2 -","2","1","","Reza, David; Balo, Rosalino; Otero, José M; Fletcher, Ai M.; García-Fandino, Rebeca; Sánchez-Pedregal, Víctor M; Davies, Stephen G.; Estévez, Ramón J; Estévez, Juan C","β-Peptides incorporating polyhydroxylated cyclohexane β-amino acid: synthesis and conformational study.","Organic & biomolecular chemistry","2023","21","42","8535","8547","10.1039/d3ob00906h","","","0.71073","MoKα","","0.051","0.0424","","","0.0817","0.0849","","","","","","1.052","","","","has coordinates","287411","2023-11-06","08:21:09",""
"7159589","6.0452","0.0003","10.044","0.0005","9.6566","0.0004","90","","90.901","0.002","90","","586.26","0.05","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0386","0.0369","","","0.0915","0.0936","","","","","","1.057","","","","has coordinates","288873","2024-01-06","09:28:59",""
"7159599","10.047","0.0008","4.9832","0.0004","11.8477","0.001","90","","104.242","0.002","90","","574.94","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C24 H24 N8 O4 -","2","1","","Arandhara, Pallav Jyoti; Behera, Bipin Kumar; Biswas, Subhamoy; Saikia, Anil K.","Synthesis of 1,2,3-triazole-fused N-heterocycles from N-alkynyl hydroxyisoindolinones and sodium azide via the Huisgen reaction.","Organic & biomolecular chemistry","2023","21","43","8772","8781","10.1039/d3ob01498c","","","0.71073","MoKα","","0.0405","0.0357","","","0.102","0.1103","","","","","","0.715","","","","has coordinates","288872","2024-01-06","09:28:43",""
"7159609","7.415","0.004","10.967","0.005","15.805","0.007","90","","99.819","0.017","90","","1266.4","1.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B via a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","0.71073","","","0.0958","0.0514","","","0.1024","0.1174","","","","","","0.997","","","","has coordinates","288889","2024-01-06","09:39:53",""
"7159615","8.7371","0.0004","13.1143","0.0005","8.7598","0.0004","90","","107.946","0.003","90","","954.87","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C46 H54 F4 N2 O8 -","2","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0802","0.0565","","","0.117","0.1279","","","","","","1.027","","","","has coordinates,has disorder","288901","2024-01-06","09:46:31",""
"7159640","11.4154","0.0014","8.0858","0.001","11.9564","0.0014","90","","99.308","0.002","90","","1089.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N3 O4 -","- C24 H29 N3 O4 -","- C48 H58 N6 O8 -","2","1","","Zhan, Guanqun; Zhang, Fuxin; Yang, Kailing; Yang, Tao; Zhou, Ruixi; Chen, Wenwen; Zhang, Jingwei; Zhang, Xinxin; Guo, Zengjun","Alscholarines A and B, two rearranged monoterpene indole alkaloids from Alstonia scholaris.","Organic & biomolecular chemistry","2023","21","40","8190","8196","10.1039/d3ob01424j","","x-ray","1.34138","Synchrotron","GaKα","0.0401","0.04","","","0.106","0.1061","","","","","","1.05","","","","has coordinates","287284","2023-11-05","12:53:34",""
"7159641","10.3124","0.0004","6.3748","0.0003","12.1798","0.0006","90","","100.745","0.005","90","","786.65","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C30 H38 N2 O8 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0419","0.0334","","","0.0731","0.0777","","","","","","1.037","","","","has coordinates","288879","2024-01-06","09:32:15",""
"7159644","9.9519","0.0005","5.9259","0.0003","12.0663","0.0006","90","","90.859","0.004","90","","711.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0889","0.0933","","","","","","1.052","","","","has coordinates","288879","2024-01-06","09:32:46",""
"7159646","10.004","0.0003","6.04477","0.00015","14.4466","0.0004","90","","105.076","0.003","90","","843.54","0.04","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 S -","- C14 H23 N O5 S -","- C28 H46 N2 O10 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0421","0.035","","","0.0908","0.0963","","","","","","1.02","","","","has coordinates,has disorder","288879","2024-01-06","09:33:08",""
"7159649","5.6555","0.0003","8.2434","0.0003","14.8956","0.0007","90","","100.631","0.005","90","","682.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C28 H34 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0565","0.039","","","0.0798","0.0888","","","","","","1.056","","","","has coordinates","288879","2024-01-06","09:33:29",""
"7159650","14.7795","0.0002","8.01466","0.00011","15.01","0.0003","90","","107.478","0.0018","90","","1695.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C60 H102 N6 O12 S6 -","6","3","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0273","0.025","","","0.0628","0.0641","","","","","","1.06","","","","has coordinates","288879","2024-01-06","09:33:33",""
"7159658","21.16","0.008","5.022","0.002","21.185","0.008","90","","119.93","0.02","90","","1951","1.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C72 H78 Cl6 N12 O18 -","6","3","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2453","0.148","","","0.2933","0.3466","","","","","","1.039","","","","has coordinates","288878","2024-01-06","09:31:42",""
"7159659","11.837","0.0018","22.263","0.004","14.667","0.002","90","","91.31","0.004","90","","3864.1","1.1","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 Br N4 Ni O4 -","- C37 H33 Br N4 Ni O4 -","- C148 H132 Br4 N16 Ni4 O16 -","4","2","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2411","0.0703","","","0.1422","0.1916","","","","","","0.854","","","","has coordinates","288878","2024-01-06","09:31:51",""
"7159661","9.065","0.0002","25.6508","0.0007","12.7514","0.0003","90","","97.158","0.002","90","","2941.9","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 I N2 O2 -","- C33 H27 I N2 O2 -","- C132 H108 I4 N8 O8 -","4","2","","Uchikura, Tatsuhiro; Takahashi, Kazuki; Oishi, Tatsushi; Akiyama, Takahiko","Visible-light-driven enantioselective intermolecular [2 + 2] photocyclization utilizing bathochromic excitation mediated by a chiral phosphoric acid.","Organic & biomolecular chemistry","2023","21","46","9138","9142","10.1039/d3ob01425h","","x-ray","1.54184","CuKα","","0.1336","0.1288","","","0.3507","0.3535","","","","","","1.053","","","","has coordinates","288876","2024-01-06","09:30:22",""
"7159664","4.5378","0.0003","10.6153","0.0007","13.1018","0.0009","90","","91.716","0.003","90","","630.83","0.07","164","2","164","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-hydroxy-4-methylbenzo[e][1,2]oxaphosphinine 2-oxide","","- C14 H10 Cl O3 P -","- C14 H10 Cl O3 P -","- C28 H20 Cl2 O6 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0281","0.0278","","","0.0711","0.0712","","","","","","1.138","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159675","9.0882","0.0005","15.9008","0.0008","10.1768","0.0005","90","","96.1407","0.0017","90","","1462.21","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C72 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.0651","0.04","","","0.0789","0.0879","","","","","","1.025","","","","has coordinates","288887","2024-01-06","09:38:08",""
"7159687","11.682","0.0002","16.385","0.0003","15.2184","0.0003","90","","103.063","0.002","90","","2837.57","0.09","99.99","0.14","99.99","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","H2NAib4-L-AlaNHtBu","","- C23 H46 N6 O6 -","- C23 H46 N6 O6 -","- C92 H184 N24 O24 -","4","2","","Tilly, David P.; McColl, Catherine; Hu, Mingda; Vitórica-Yrezábal, Iñigo J; Webb, Simon J.","Enantioselective conjugate addition to nitroolefins catalysed by helical peptides with a single remote stereogenic centre.","Organic & biomolecular chemistry","2023","21","48","9562","9571","10.1039/d3ob01594g","","x-ray","1.54184","CuKα","","0.0485","0.0384","","","0.0912","0.0972","","","","","","1.06","","","","has coordinates","288896","2024-01-06","09:43:41",""
"7159688","11.6688","0.0004","7.6572","0.0002","13.4891","0.0004","90","","101.345","0.002","90","","1181.71","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C54 H56 N4 O12 -","2","1","","Denhez, Clément; Lameiras, Pedro; Berber, Hatice","Atropisomerism about aryl-C(sp3) bonds: chemically driven rotational pathway in cannabidiol derivatives.","Organic & biomolecular chemistry","2023","21","48","9572","9582","10.1039/d3ob01617j","","","1.54178","CuKα","","0.0403","0.0347","","","0.0783","0.0822","","","","","","1.021","","","","has coordinates","288895","2024-01-06","09:43:22",""
"7159722","5.1341","0.0001","8.4181","0.0002","13.3376","0.0003","90","","93.235","0.001","90","","575.52","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N3 O7 -","- C9 H15 N3 O7 -","- C18 H30 N6 O14 -","2","1","","Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.","Two short approaches to the COVID-19 drug β-D-N4-hydroxycytidine and its prodrug molnupiravir.","Organic & biomolecular chemistry","2024","22","4","735","740","10.1039/d3ob02039h","","","1.54178","CuKα","","0.0288","0.0281","","","0.0745","0.0747","","","","","","1.051","","","","has coordinates","289620","2024-02-04","12:28:23",""
"7159725","6.2516","0.0002","12.1242","0.0004","19.5002","0.0007","90","","91.0124","0.0009","90","","1477.8","0.09","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C64 H44 F12 N8 O4 -","4","2","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4H)-ones via tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1941","0.0743","","","0.1227","0.1574","","","","","","1.044","","","","has coordinates,has disorder","289625","2024-02-04","12:29:09",""
"7159727","7.5355","0.0003","7.5626","0.0002","11.2958","0.0003","90","","103.257","0.003","90","","626.57","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-seco-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0525","0.0493","","","0.1294","0.1341","","","","","","1.049","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159728","5.1299","0.0004","14.7848","0.001","9.1241","0.0006","90","","90.366","0.007","90","","692","0.08","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-seco-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0482","0.0436","","","0.1038","0.1073","","","","","","1.054","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159750","7.7704","0.0004","11.2784","0.0005","11.4173","0.0008","90","","107.296","0.007","90","","955.34","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H25 N -","- C25 H25 N -","- C50 H50 N2 -","2","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0849","0.0684","","","0.1702","0.1947","","","","","","1.042","","","","has coordinates","288699","2024-01-05","12:56:42",""
"7159759","4.3756","0.0004","10.0848","0.0009","14.3422","0.0012","90","","98.393","0.008","90","","626.1","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11-methylbenzo[a]phenazine","","- C17 H12 N2 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0662","0.0373","","","0.0967","0.1122","","","","","","1.01","","","","has coordinates,has disorder","290266","2024-03-04","20:42:08",""
"7159761","9.5508","0.0006","4.7677","0.0003","12.4996","0.0009","90","","103.508","0.007","90","","553.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-chloro-2-phenylquinoxaline","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0427","0.0295","","","0.0539","0.0573","","","","","","1.1208","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159762","9.6512","0.0005","4.9125","0.0002","12.4349","0.0009","90","","104.633","0.006","90","","570.43","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C28 H18 Br2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0338","0.024","","","0.04","0.0419","","","","","","1.0575","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159763","7.3206","0.0004","9.0166","0.0004","16.8696","0.0008","90","","97.364","0.005","90","","1104.33","0.09","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Antony Haritha Mercy, A.; Padma Priya, V. R.; Hariprasad, R.; Gayathri, K.; Ravindra, S.; Chandra Nandi, Ganesh; Kataria, Ramesh","Facile synthesis of N-(α-furanyl) alkyl sulfoximines via gold catalyzed Michael addition/cyclization of enynones and sulfoximines.","Organic & biomolecular chemistry","2024","22","5","945","949","10.1039/d3ob01631e","","x-ray","0.71073","MoKα","","0.0615","0.0426","","","0.0869","0.0956","","","","","","0.961","","","","has coordinates","289618","2024-02-04","12:28:12",""
"7159817","14.4485","0.0012","8.609","0.0007","16.5929","0.0014","90","","101.029","0.004","90","","2025.8","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H46 Cl3 F3 N2 O6 -","- C41 H46 Cl3 F3 N2 O6 -","- C82 H92 Cl6 F6 N4 O12 -","2","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from Pseudeurotium bakeri and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.1005","0.0889","","","0.2401","0.25","","","","","","1.058","","","","has coordinates,has disorder","291051","2024-04-05","00:12:23",""
"7159836","8.252","0.007","10.441","0.011","12.226","0.01","90","","100.816","0.01","90","","1034.7","1.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl F2 N O4 -","- C20 H24 Cl F2 N O4 -","- C40 H48 Cl2 F4 N2 O8 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0416","0.0347","","","0.0751","0.0794","","","","","","1.025","","","","has coordinates","290071","2024-03-04","14:33:58",""
"7159852","5.16094","0.00017","12.6912","0.0004","8.2512","0.0003","90","","92.987","0.003","90","","539.71","0.03","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4,5-Trihydroxy-6-(hydroxymethyl)-1-(3-hydroxypropanoyl)piperidin-2-one","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen R.; Nabarro, Joe; Whitwood, Adrian C.; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William P.","Expanding the scope of the successive ring expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams.","Organic & biomolecular chemistry","2024","22","15","2985","2991","10.1039/d4ob00285g","","x-ray","1.54184","CuKα","","0.0326","0.0292","","","0.0651","0.0674","","","","","","1.044","","","","has coordinates","291691","2024-05-05","04:03:13",""
"7159857","10.184","0.0005","14.8969","0.0007","14.107","0.0007","90","","108.171","0.001","90","","2033.44","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H66 O11 -","- C43 H66 O11 -","- C86 H132 O22 -","2","1","","Li, Man; Feng, Ling; Zhang, Han; Liu, Yan-Chun; Zhou, Ting-Ting; Zheng, Yu; Guo, Kai; Liu, Yan; Li, Sheng-Hong","Unusual immunosuppressive pyridine-containing bisnor- (c23), tetranor- (c21) and pentanor- (c20) sesterterpenoids from Tibetan Leucosceptrum canum.","Organic & biomolecular chemistry","2024","22","15","3019","3024","10.1039/d4ob00334a","","","1.54178","CuKα","","0.0539","0.0536","","","0.1405","0.1408","","","","","","1.054","","","","has coordinates","291693","2024-05-05","04:04:02",""
"7159862","11.55","0.004","19.972","0.01","14.943","0.007","90","","95.194","0.011","90","","3433","3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O6 -","- C38 H52 N2 O6 -","- C152 H208 N8 O24 -","4","2","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.0831","0.048","","","0.114","0.1313","","","","","","1.034","","","","has coordinates","291687","2024-05-05","04:00:50",""
"7159865","13.6252","0.0016","18.037","0.002","27.681","0.004","90","","98.174","0.003","90","","6733.7","1.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C304 H400 N16 O48 -","8","4","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.1899","0.0826","","","0.166","0.2156","","","","","","1.054","","","","has coordinates","291687","2024-05-05","04:00:56",""
"7159891","9.7763","0.0012","14.2275","0.0014","12.0706","0.0016","90","","107.436","0.014","90","","1601.8","0.4","297.6","0.6","297.6","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","2","","Nanda, Samik; Barik, Rasmita","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, F and 2,9-humuladien-6-ol-8-one","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00393D","","x-ray","0.71073","MoKα","","0.4427","0.164","","","0.3375","0.4664","","","","","","0.994","","","","has coordinates","291171","2024-04-11","00:52:41",""
"7159894","11.6092","0.0005","15.2706","0.0007","15.2983","0.0007","90","","102.064","0.001","90","","2652.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C84 H96 N48 O48 -","12","6","","Gerasimova, Tatiana; Zagidullin, Almaz; Nikolaeva, Anastasiya; Fayzullin, Robert R.; Saitova, Alya; Miluykov, Vasily; Grimme, Stefan; Katsyuba, Sergey","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00404C","","x-ray","0.71073","MoKα","","0.0677","0.0509","","","0.1269","0.1401","","","","","","1.044","","","","has coordinates","291173","2024-04-11","00:53:25",""
"7159899","3.7249","0.0002","9.6327","0.0004","12.9466","0.0005","90","","92.843","0.003","90","","463.96","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00387J","","x-ray","0.71073","MoKα","","0.0384","0.0349","","","0.0981","0.0999","","","","","","1.11","","","","has coordinates","291218","2024-04-16","00:58:45",""
"7159900","3.7817","0.0002","9.718","0.0006","12.9407","0.0006","90","","92.15","0.005","90","","475.24","0.04","299.5","0.18","299.5","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00387J","","x-ray","0.71073","MoKα","","0.0688","0.0466","","","0.1192","0.1294","","","","","","1.043","","","","has coordinates","291218","2024-04-16","00:58:46",""
"7159914","10.7916","0.0004","6.2242","0.0002","11.7768","0.0004","90","","108.897","0.002","90","","748.4","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C28 H44 N4 O2 S2 -","2","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","0.71073","MoKα","","0.0347","0.0316","","","0.075","0.0767","","","","","","1.039","","","","has coordinates","291331","2024-04-23","01:13:29",""
"7159920","11.0543","0.0016","7.6061","0.0011","18.348","0.003","90","","97.582","0.003","90","","1529.2","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","2","","Gallardo-Rosas, David; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Toscano, Ruben Alfredo; López-Cortés, Jose G.; Ortega-Alfaro, M. Carmen","Structure and isomerization behavior relationships of new push–pull azo-pyrrole photoswitches","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00417E","","","0.71073","MoKα","","0.1416","0.0604","","","0.1182","0.1567","","","","","","0.998","","","","has coordinates","291425","2024-05-01","00:34:02",""
"7159929","8.0358","0.0003","10.9125","0.0004","12.2549","0.0005","90","","90.715","0.001","90","","1074.56","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","You, Pengyuan; Liu, Minjie; Zhang, Ke; Yang, Fan; Tan, Zequn; Chen, Fener","Highly Enantio- and Diastereoselective Construction of Spirocyclic Oxindoles via a Palladium-Catalyzed Decarboxylative Asymmetric [4 + 2] Annulation Strategy","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00518J","","","1.34139","GaKα","","0.0305","0.0295","","","0.078","0.0793","","","","","","1.059","","","","has coordinates,has disorder","291454","2024-05-02","00:37:22",""
"7159938","8.3489","0.0004","5.0069","0.0002","18.757","0.0007","90","","91.038","0.002","90","","783.95","0.06","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8.5 H10 O3 -","- C8.5 H10 O3 -","- C34 H40 O12 -","4","2","","Pocock, Ian A.; Doulcet, Julien; Rice, Craig; Sweeney, Joseph B.; Gill, Duncan Michael","Stereocontrolled synthesis of the aconitine D ring from D-glucose","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00561A","","","1.54178","CuKα","","0.0946","0.0881","","","0.2285","0.2359","","","","","","1.0507","","","","has coordinates","291487","2024-05-04","00:43:35",""
"7159940","7.4391","0.0003","15.3129","0.0006","10.5379","0.0004","90","","96.299","0.003","90","","1193.17","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C62 H48 N4 O12 -","2","1","","Eguchi, Shiori; Naoe, Mami; Kageyama, Asako; Imai, Yoshitane; Tonai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; TAKASHIMA, HIROSHI","Circularly polarised luminescence from intramolecular excimer emission of bis-1,8-naphthalimide derivatives","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00413B","","","1.54184","CuKα","","0.0553","0.0521","","","0.1308","0.1338","","","","","","1.011","","","","has coordinates","291788","2024-05-09","00:45:34",""
"7200218","12.4505","0.0015","24.448","0.003","19.153","0.002","90","","104.069","0.004","90","","5655.1","1.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C240 H288 N24 O48 -","12","6","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1856","0.0636","","","0.1519","0.1978","","","","","","0.947","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200241","6.9541","0.0002","15.216","0.0006","7.0195","0.0003","90","","118.59","","90","","652.19","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","Adenine 2,6-dihydroxybenzoate hydrate","","- C12 H13 N5 O5 -","- C12 H13 N5 O5 -","- C24 H26 N10 O10 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0565","0.0541","","","0.1583","0.1598","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200306","8.5289","0.0015","6.0505","0.001","14.924","0.002","90","","96.613","0.002","90","","765","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H13 Cd N O6 S2 -","- C12 H13 Cd N O6 S2 -","- C24 H26 Cd2 N2 O12 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0216","0.0204","","","0.0494","0.0503","","","","","","1.049","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200307","10.7419","0.0008","11.0361","0.0008","11.7804","0.0009","90","","115.396","0.001","90","","1261.6","0.16","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cd N3 O7 S2 -","- C22 H23 Cd N3 O7 S2 -","- C44 H46 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0252","0.023","","","0.0513","0.0522","","","","","","1.039","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200308","10.543","0.007","4.99","0.003","18.508","0.013","90","","95.337","0.01","90","","969.5","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 Cd N3 O7 S2 -","- C15 H19 Cd N3 O7 S2 -","- C30 H38 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.1027","0.0857","","","0.2143","0.2359","","","","","","1.04","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200392","8.054","0.002","10.367","0.003","9.995","0.003","90","","108.174","0.011","90","","792.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.058","0.0505","","","0.1373","0.1437","","","","","","1.035","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200415","17.342","0.006","17.226","0.018","17.589","0.017","90","","103.71","0.06","90","","5105","8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","ssh0471","","","- C96 H112 Br4 Cu2 N24 O8 -","- C96 H112 Br4 Cu2 N24 O8 -","- C192 H224 Br8 Cu4 N48 O16 -","2","1","","Piepenbrock, Marc-Oliver M.; Anderson, Kirsty M.; Sansam, Benedict C. R.; Clarke, Nigel; Steed, Jonathan W.","Structural similarity of hydrogen-bonded and metal-coordinated abiotic base pairs allows oligonucleotide-like mutual stacking,","CrystEngComm","2009","11","1","118","","10.1039/b815252g","","","0.6941","synchrotron","","0.1358","0.1071","","","0.27","0.2887","","","","","","1.052","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200451","16.312","0.008","7.247","0.003","16.383","0.008","90","","90.243","0.007","90","","1936.7","1.6","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C108 H96 O6 -","6","3","","Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A.","Probing weak non-covalent interactions in solution and solid states with designed molecules","Physical Chemistry Chemical Physics","2009","11","1","97","100","10.1039/b815906h","","","0.6751","synchrotron","","0.0791","0.0678","","","0.1699","0.1837","","","","","","1.054","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200463","9.4203","0.0019","17.1223","0.0036","9.8809","0.0023","90","","116.939","0.007","90","","1420.8","0.5","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","BzMe3N(cdm)","Benzyltrimethylammonium Carbamoyldicyanomethanide","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0614","0.0549","","","0.1225","0.1295","","","","","","1.075","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200474","7.6207","0.001","20.686","0.003","11.6092","0.0016","90","","97.296","0.002","90","","1815.3","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 Cu4 N2 O28 -","- C24 H29 Cu4 N2 O29 -","- C48 H58 Cu8 N4 O58 -","2","1","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0309","0.0279","","","0.0644","0.0657","","","","","","1.015","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200543","16.2898","0.0008","7.7309","0.0004","22.0964","0.0011","90","","104.532","0.002","90","","2693.7","0.2","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H68 Cu2 N4 O14 -","- C60 H68 Cu2 N4 O14 -","- C120 H136 Cu4 N8 O28 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0667","0.03","","0.0558","0.031","0.031","","","","","","1.1162","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200544","5.5583","0.0002","20.5367","0.0006","10.824","0.0003","90","","103.482","0.001","90","","1201.5","0.07","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Cu N3 O5 -","- C26 H33 Cu N3 O5 -","- C52 H66 Cu2 N6 O10 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0328","0.0227","","0.0273","0.024","0.024","","","","","","1.085","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200556","10.8599","0.0005","11.5232","0.0004","11.6934","0.0006","90","","114.691","0.002","90","","1329.54","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H14 Cl2 In2 N4 O8 -","- C24 H14 Cl2 In2 N4 O8 -","- C48 H28 Cl4 In4 N8 O16 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0178","0.0173","","","0.0445","0.0447","","","","","","1.072","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200581","12.9861","0.0017","12.1989","0.0016","13.2626","0.0017","90","","95.072","0.002","90","","2092.8","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H34 F12 O16 Zn2 -","- C35 H34 F12 O16 Zn2 -","- C70 H68 F24 O32 Zn4 -","2","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0482","0.0357","","","0.0693","0.0746","","","","","","1.002","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200617","6.3238","0.0005","4.9208","0.0004","13.0318","0.0012","90","","101.132","0.009","90","","397.9","0.06","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C6 H10 N18 O6 -","2","1","","Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias","Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials","Journal of Materials Chemistry","2009","19","15","2240","","10.1039/b818925k","","x-ray","0.71073","MoKα","","0.0611","0.0343","","","0.0503","0.0589","","","","","","1.015","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200640","12.7667","0.0015","46.043","0.005","14.9592","0.0015","90","","94.385","0.005","90","","8767.5","1.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumba te(ii) dihydrate","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumbate(II) dihydrate","","- C119 H276 Cl31 N17 O2 Pb7 -","- C119 H276 Cl31 N17 O2 Pb7 -","- C238 H552 Cl62 N34 O4 Pb14 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0684","0.0457","","","0.0983","0.1069","","","","","","0.933","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200767","8.7021","0.0017","34.037","0.006","9.6217","0.0018","90","","93.538","0.003","90","","2844.5","0.9","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Cu(terpyPh)2](PF6)2.4DMF","","","- C54 H58 Cu F12 N10 O4 P2 -","- C54 H58 Cu F12 N10 O4 P2 -","- C108 H116 Cu2 F24 N20 O8 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0529","0.0492","","","0.1034","0.1054","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200796","12.705","0.003","6.1713","0.0012","19.492","0.004","90","","108.72","0.03","90","","1447.4","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(R-N-(1-naphthyl)ethyl-2,5-dihydropyrrolo)tetrathiafulvalene","","- C34 H30 N2 S4 -","- C34 H30 N2 S4 -","- C68 H60 N4 S8 -","2","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1236","0.0796","","","0.1344","0.1555","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200829","7.7818","0.0004","4.9567","0.0003","34.4265","0.0016","90","","91.993","0.003","90","","1327.1","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H47 N O3 -","- C28 H47 N O3 -","- C56 H94 N2 O6 -","2","1","","Bastiat, Guillaume; Leroux, Jean-Christophe","Pharmaceutical organogels prepared from aromatic amino acid derivatives","Journal of Materials Chemistry","2009","19","23","3867","","10.1039/b822657a","","","1.54178","CuKα","","0.0832","0.0502","","","0.1126","0.1216","","","","","","1.173","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200830","7.7987","0.0003","4.9374","0.0002","34.757","0.0014","90","","93.642","0.002","90","","1335.63","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H47 N O4 -","- C28 H47 N O4 -","- C56 H94 N2 O8 -","2","1","","Bastiat, Guillaume; Leroux, Jean-Christophe","Pharmaceutical organogels prepared from aromatic amino acid derivatives","Journal of Materials Chemistry","2009","19","23","3867","","10.1039/b822657a","","","1.54178","CuKα","","0.0395","0.0369","","","0.0999","0.1016","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200840","7.8746","0.0016","21.825","0.004","17.83","0.004","90","","99.62","0.03","90","","3021.2","1.1","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","(1-(((R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl))-a-(2-(1-hydroxy- 1-methylethyl)\ phenylethyl)-benzylthio)methyl)cyclopropane acetic acid","(1-{[(R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl)]-a-[2-(1-hydroxy-1-methylethyl)\ phenylethyl]-benzylthio}methyl)cyclopropane acetic acid","","- C35 H36 Cl N O3 S -","- C35 H36 Cl N O3 S -","- C140 H144 Cl4 N4 O12 S4 -","4","2","","Thun, Juergen; Milius, Wolfgang; Wedel, Bastian; Ridder, Andre; Moersdorf, Peter; Breu, Josef","The crystal structure of the API Montelukast","CrystEngComm","2009","11","7","1306","","10.1039/b822821c","","","0.71073","MoKα","","0.0983","0.0619","","","0.1115","0.1239","","","","","","1.035","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7200844","15.9084","0.0006","14.3646","0.0006","16.7141","0.0008","90","","116.386","0.002","90","","3421.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H66 N29 O35 Re U -","- C42 H66 N29 O35 Re U -","- C84 H132 N58 O70 Re2 U2 -","2","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0633","0.0471","","","0.1205","0.1247","","","","","","1.029","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200873","8.7612","0.0003","7.0756","0.0001","9.6622","0.0002","90","","95.644","0.001","90","","596.06","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.032","0.03","","","0.071","0.073","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200876","8.617","0.0002","12.0528","0.0003","13.793","0.0003","90","","90.446","0.001","90","","1432.48","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H40 N2 O4 Zn -","- C33 H40 N2 O4 Zn -","- C66 H80 N4 O8 Zn2 -","2","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0334","0.0297","","","0.0646","0.0663","","","","","","1.044","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200878","14.1674","0.0002","11.491","0.0002","14.8774","0.0003","90","","113.205","0.001","90","","2226.07","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H36 N2 O4 Zn -","- C23 H36 N2 O4 Zn -","- C92 H144 N8 O16 Zn4 -","4","2","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0693","0.0475","","","0.0951","0.1044","","","","","","1.035","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200918","8.0141","0.0017","5.8339","0.0012","16.979","0.004","90","","97.228","0.003","90","","787.5","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C42 H28 O4 S2 -","2","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0458","0.0402","","","0.0933","0.0968","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200982","4.9409","0.0007","33.746","0.005","5.7154","0.0009","90","","101.967","0.009","90","","932.3","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C40 H52 O14 -","2","1","","Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian","Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture","Journal of Materials Chemistry","2009","19","26","4587","","10.1039/b902064k","","","0.71073","MoKα","","0.0437","0.0376","","","0.0962","0.0997","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201023","19.292","0.008","7.694","0.003","19.957","0.008","90","","117.454","0.007","90","","2628.7","1.8","291","2","291","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","(6-ammoniohexyl)ammonium bislithocholate","","- C54 H96 N2 O6 -","- C54 H96 N2 O6 -","- C108 H192 N4 O12 -","2","1","","Pal, Asish; Basit, Hajra; Sen, Saikat; Aswal, Vinod K.; Bhattacharya, Santanu","Structure and properties of two component hydrogels comprising lithocholic acid and organic amines","Journal of Materials Chemistry","2009","19","25","4325","","10.1039/b903407b","","","0.71073","MoKa","","0.1654","0.0666","","","0.1028","0.1325","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201065","9.15","0.018","13.76","0.03","10.229","0.019","90","","93.17","0.04","90","","1286","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C56 H32 N8 O16 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1108","0.0707","","","0.1523","0.1816","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201069","8.5257","0.0017","8.5083","0.0016","19.23","0.004","90","","95.224","0.009","90","","1389.1","0.5","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(2,6-di(pyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.0545","0.0368","","","0.0958","0.1046","","","","","","1.043","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201090","16.602","0.002","18.921","0.002","23.048","0.003","90","","108.427","0.002","90","","6868.8","1.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H204 N16 O88 P16 -","- C72 H148 N16 O88 P16 -","- C144 H296 N32 O176 P32 -","2","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1533","0.11","","","0.2334","0.259","","","","","","0.947","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201094","12.615","0.002","11.356","0.002","17.992","0.003","90","","107.62","0.02","90","","2456.5","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H57 B N6 Ni O3 -","- C57 H57 B N6 Ni O3 -","- C114 H114 B2 N12 Ni2 O6 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0399","0.0327","","","0.07","0.0727","","","","","","1.03","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201111","7.7153","0.0006","5.4523","0.0005","12.7639","0.0011","90","","94.607","0.002","90","","535.19","0.08","98","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanine alaninium nitrate","","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C12 H30 N6 O14 -","2","1","","Hudson, Matthew R.; Allis, Damian G.; Ouellette, Wayne; Hudson, Bruce S.","Inelastic neutron scattering and Raman spectroscopic investigation of l-alanine alaninium nitrate, a homologue of a ferroelectric material","Physical Chemistry Chemical Physics","2009","11","41","9474","9483","10.1039/b905070a","","x-ray","0.71073","MoKα","","0.0515","0.0508","","","0.1177","0.1181","","","","","","1.253","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201286","7.989","0.004","15.006","0.007","8.168","0.004","90","","109.145","0.008","90","","925","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 Ni O8 S -","- C17 H18 N2 Ni O8 S -","- C34 H36 N4 Ni2 O16 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.028","0.027","","","0.0662","0.0668","","","","","","0.88","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201302","5.8432","0.0001","9.2266","0.0002","18.6853","0.0005","90","","91.103","0.001","90","","1007.19","0.04","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Cd Cl2 O10 P2 -","- C13 H18 Cd Cl2 O10 P2 -","- C26 H36 Cd2 Cl4 O20 P4 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0201","0.0198","","","0.0499","0.0502","","","","","","1.035","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201482","6.1615","0.0005","16.4514","0.0013","15.1503","0.0012","90","","99.433","0.001","90","","1514.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 Cd N4 O6 S -","- C34 H26 Cd N4 O6 S -","- C68 H52 Cd2 N8 O12 S2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0299","0.0266","","","0.0634","0.0655","","","","","","1.004","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201521","7.6704","0.0004","25.4797","0.0013","12.463","0.0007","90","","96.488","0.001","90","","2420.2","0.2","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H33 Cl Cu2 F8 N6 O18 -","- C46 H33 Cl Cu2 F8 N6 O18 -","- C92 H66 Cl2 Cu4 F16 N12 O36 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0502","0.0395","","","0.07","0.0725","","","","","","0.85","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201553","5.4206","0.0015","6.258","0.0017","15.534","0.004","90","","97.454","0.005","90","","522.5","0.2","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1272","0.0635","","","0.0931","0.1116","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201581","10.1288","0.0006","21.0031","0.0014","16.3702","0.001","90","","90.961","0.002","90","","3482","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H90 Cu2 N12 O13 -","- C68 H88 Cu2 N12 O13 -","- C136 H176 Cu4 N24 O26 -","2","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.1517","0.0972","","","0.1741","0.1855","","","","","","1.206","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201583","8.3067","0.0009","9.7312","0.0012","10.7272","0.0013","90","","106.181","0.008","90","","832.77","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 O7 U -","- C5 H6 O7 U -","- C20 H24 O28 U4 -","4","2","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0384","0.0342","","","0.0815","0.0837","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201684","7.598","0.0005","20.5971","0.0014","13.8222","0.0009","90","","105.038","0.002","90","","2089.1","0.2","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.048","0.0437","","","0.0934","0.0956","","","","","","1.018","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201686","11.6452","0.0013","14.3172","0.0013","12.0277","0.0013","90","","96.018","0.004","90","","1994.3","0.4","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0928","0.0602","","","0.0954","0.1055","","","","","","0.999","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201692","11.889","0.0002","7.4118","0.0001","15.6083","0.0002","90","","103.661","0.002","90","","1336.48","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0531","0.043","","","0.1193","0.1309","","","","","","1.085","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201790","8.2078","0.0002","24.8368","0.0007","9.4738","0.0003","90","","111.853","0.001","90","","1792.51","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","","- C42 H33 Cl2 N O5 -","- C42 H33 Cl2 N O5 -","- C84 H66 Cl4 N2 O10 -","2","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1424","0.0584","","","0.1317","0.1565","","","","","","0.819","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201791","9.4204","0.0001","41.0982","0.0006","10.1701","0.0002","90","","91.8046","0.0007","90","","3935.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1674","0.0744","","","0.1915","0.2211","","","","","","1.025","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201796","9.4158","0.0002","40.9669","0.001","10.249","0.0003","90","","91.7547","0.0016","90","","3951.56","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane, 1- (phenylglyoxylyl)piperidine clathrate","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3- dioxolane, 1-(phenylglyoxylyl)piperidine clathrate","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1436","0.0527","","","0.118","0.1543","","","","","","0.773","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201799","3.7455","0.0019","7.257","0.004","11.424","0.006","90","","95.881","0.009","90","","308.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","1","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.0706","0.0525","","","0.1262","0.1345","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202204","7.9727","0.0017","22.654","0.005","8.7259","0.0019","90","","105.636","0.002","90","","1517.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H28 Cu I2 N2 O5 -","- C33 H28 Cu I2 N2 O5 -","- C66 H56 Cu2 I4 N4 O10 -","2","1","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","synchrotron","","0.0573","0.0527","","","0.1336","0.1361","","","","","","1.077","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202249","10.47","0.003","13.926","0.003","10.476","0.003","90","","109.048","0.004","90","","1443.8","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 O12 Zn2 -","- C24 H38 O12 Zn2 -","- C48 H76 O24 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6904","Synchrotron","","0.0853","0.0711","","","0.1736","0.1813","","","","","","0.985","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202250","7.539","0.004","13.843","0.008","12.155","0.007","90","","90.19","0.009","90","","1268.5","1.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O11 Zn2 -","- C21 H27 O11 Zn2 -","- C42 H54 O22 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.846","Synchrotron","","0.1663","0.0872","","","0.1646","0.2006","","","","","","0.973","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202270","16.653","0.001","13.4462","0.0005","19.299","0.001","90","","106.527","0.002","90","","4142.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cole02","","","- C78 H106 N4 O38 P4 -","- C78 H106 N4 O38 P4 -","- C156 H212 N8 O76 P8 -","2","1","","Suwinska, Kinga; Coleman, Anthony W.","Structure of the kanamycin‒calix[4]arene di-O-phosphonate salt","CrystEngComm","2008","10","10","1302","","10.1039/b808568d","","","0.71073","MoKα","","0.103","0.064","","","0.152","0.168","","","","","","0.95","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202311","9.6633","0.0004","6.3731","0.0003","19.721","0.0007","90","","96.041","0.002","90","","1207.78","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0412","0.0329","","","0.0813","0.0881","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202312","9.6656","0.0012","6.3707","0.0009","19.708","0.002","90","","96.025","0.007","90","","1206.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.1241","0.0579","","","0.0942","0.1167","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202350","12.211","0.005","6.166","0.002","17.398","0.007","90","","102.607","0.007","90","","1278.4","0.8","298","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","3beta-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","3β-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","","- C27 H35 Cl3 O3 -","- C27 H28 Cl3 O3 -","- C54 H56 Cl6 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.2232","0.1066","","","0.2241","0.2848","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202351","6.3022","0.0004","10.2952","0.0006","41.964","0.003","90","","91.032","0.001","90","","2722.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cholesterol-4iodophenol(2:1) cocrystal","Cholesterol-4iodophenol(2:1) cocrystal","","- C60 H97 I O3 -","- C60 H92 I O3 -","- C120 H184 I2 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0477","0.0438","","","0.1011","0.103","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202352","8.6899","0.001","7.2501","0.0009","18.504","0.002","90","","92.506","0.002","90","","1164.7","0.2","298","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine + Zidovudine hydrate","Lamivudine + Zidovudine hydrate","","- C18 H26 N8 O8 S -","- C18 H26 N8 O8 S -","- C36 H52 N16 O16 S2 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0408","0.0374","","","0.0965","0.0993","","","","","","1.034","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202390","3.8267","0.0003","23.26","0.002","7.6502","0.0001","90","","104.372","0.007","90","","659.63","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0551","0.0433","","","0.1141","0.1235","","","","","","0.953","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202407","6.5652","0.0001","17.7228","0.0004","11.8193","0.0002","90","","91.01","0.001","90","","1375.01","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0228","0.0219","","","0.0519","0.0523","","","","","","1.015","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202586","9.994","0.0005","7.8004","0.0004","15.8597","0.0008","90","","106.301","0.001","90","","1186.68","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-(4- (methylthio)phenyl)propan-2-aminium (1R,3R)-2,2-dimethyl-3-(2- methylprop-1-enyl)-cyclopropanecarboxylate","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-[4-(methylthio)phenyl]propan- 2-aminium (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)- cyclopropanecarboxylate","","- C22 H35 N O4 S -","- C22 H35 N O4 S -","- C44 H70 N2 O8 S2 -","2","1","","Rosini, Goffredo; Ayoub, Claudia; Borzatta, Valerio; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo","The same and not the same. Similarities and differences in the resolution of trans-chrysanthemic acid of industrial origin by the enantiomers of some threo-1-aryl-2-dimethylamino-1,3-propanediols","Green Chemistry","2007","9","5","441","","10.1039/b615785h","","","0.71073","MoKα","","0.0567","0.0528","","","0.1548","0.1599","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202591","9.1901","0.0002","5.9097","0.0001","16.013","0.0003","90","","103.107","0.001","90","","847.02","0.03","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H21 Cd Cl2 N O9 P2 -","- C7 H21 Cd Cl2 N O9 P2 -","- C14 H42 Cd2 Cl4 N2 O18 P4 -","2","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0247","0.0224","","","0.0479","0.0487","","","","","","1.055","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202620","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202683","7.475","0.002","11.848","0.003","12.856","0.003","90","","103.12","0.03","90","","1108.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","brucinium bromide dihydrate","","- C23 H31 Br N2 O6 -","- C23 H31 Br N2 O6 -","- C46 H62 Br2 N4 O12 -","2","1","","Agata Białońska; Zbigniew Ciunik","Intermolecular hinge?a new function of the C?H?? hydrogen bond","CrystEngComm","2007","9","7","570","","10.1039/b700211d","","","0.71073","MoKα","","0.078","0.0409","","","0.0703","0.0774","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202728","33.056","0.022","7.485","0.004","5.876","0.003","90","","96.16","0.03","90","","1445.5","1.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","5,5'-bis-4-(6-hydroxyhexyloxy)-phenyl-2,2'-bithiophene","5,5'-bis-4-(6-hydroxyhexyloxy)-phenyl-2,2'-bithiophene","","- C32 H38 O4 S2 -","- C64 H76 O8 S4 -","- C64 H76 O8 S4 -","","","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","1.2084","synchrotron","","","","","","","","","","","","","","","","","has coordinates","277887","2022-09-15","15:15:13",""
"7202918","12.2472","0.0013","5.6733","0.0006","20.771","0.002","90","","105.388","0.002","90","","1391.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0649","0.0547","","","0.1117","0.117","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203044","9.5358","0.0006","23.642","0.0017","12.0899","0.0008","90","","98.904","0.003","90","","2692.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-leucyl-L-leucyl-L-leucine - 4-methylpyridine clathrate (1:1:0.14)","","","- C24 H42.28 N4 O4.14 -","- C24 H42 N4 O4.14 -","- C96 H168 N16 O16.56 -","4","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0691","0.0436","","","0.0985","0.1129","","","","","","1.032","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203059","6.0507","0.001","9.6244","0.0011","7.9662","0.0006","90","","109.273","0.01","90","","437.91","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C18 H16 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0583","0.0562","","","0.1452","0.1476","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203085","9.632","0.004","13.811","0.007","11.323","0.005","90","","107.433","0.007","90","","1437.1","1.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N8 Ni O11 -","- C19 H28 N8 Ni O11 -","- C38 H56 N16 Ni2 O22 -","2","1","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0757","0.0627","","","0.1484","0.1517","","","","","","1.017","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203089","14.5255","0.0005","7.921","0.0003","14.9241","0.0005","90","","98.607","0.003","90","","1697.78","0.1","0","","293","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C34 H65 N O6 -","- C34 H65 N O6 -","- C68 H130 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","0.0628","0.0488","","","0.1402","0.1517","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203090","18.291","0.007","7.973","0.003","20.566","0.007","90","","95.049","0.003","90","","2987.6","1.9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H111 N O12 -","- C60 H89 N O12 -","- C120 H178 N2 O24 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54184","CuKα","","","0.0896","","","","0.294","","","","","","1.052","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203091","14.6044","0.0007","7.9746","0.0004","17.2816","0.0007","90","","102.785","0.003","90","","1962.79","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H73 N O6 -","- C38 H73 N O6 -","- C76 H146 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","","0.0725","","","","0.191","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203092","14.593","0.004","7.99","0.002","18.702","0.008","90","","109.52","0.03","90","","2055.3","1.2","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H77 N O6 -","- C40 H77 N O6 -","- C80 H154 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.5412","CuKα","","","0.0726","","","","0.2303","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203093","8.3621","0.0004","11.0698","0.0005","9.8203","0.0005","90","","101.459","0.003","90","","890.91","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Au2 Cu N6 -","- C12 H18 Au2 Cu N6 -","- C24 H36 Au4 Cu2 N12 -","2","1","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0536","0.0434","","0.06","0.0558","0.0558","","","","","","0.9877","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203127","7.2325","0.0014","5.0006","0.0005","17.966","0.003","90","","96.189","0.003","90","","645.99","0.18","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S)-(-)-tetramethylene bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","1","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0447","0.0421","","","0.1123","0.1142","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203139","9.7269","0.0008","8.6585","0.0007","24.853","0.002","90","","100.872","0.002","90","","2055.6","0.3","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 N2 O4 P2 S4 Zn -","- C36 H54 N2 O4 P2 S4 Zn -","- C72 H108 N4 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.1","0.078","","","0.209","0.223","","","","","","1.08","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203163","7.5255","0.001","12.0556","0.0015","18.597","0.002","90","","96.238","0.01","90","","1677.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","","- C35 H51 N3 O10 -","- C35 H51 N3 O10 -","- C70 H102 N6 O20 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.047","0.0391","","","0.0859","0.0899","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203167","5.028","0.002","9.68","0.004","5.246","0.002","90","","118.522","0.007","90","","224.34","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 Cl N2 -","- C2 H5 Cl N2 -","- C4 H10 Cl2 N4 -","2","1","","Wishkerman, Sara; Bernstein, Joel","Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph","CrystEngComm","2006","8","3","245","","10.1039/b515447b","","","0.71073","MoKα","","0.0377","0.037","","","0.0874","0.0883","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203177","5.37","0.003","6.213","0.003","12.481","0.004","90","","102.31","0.03","90","","406.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-NITROPHENYL PHOSPHORIC ACID","4-NITROPHENYL PHOSPHORIC ACID","","- C6 H6 N O6 P -","- C6 H6 N O6 P -","- C12 H12 N2 O12 P2 -","2","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0279","0.0268","","","0.0691","0.0698","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203216","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203252","10.441","0.01","16.283","0.015","10.634","0.004","90","","100.42","0.05","90","","1778","2","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Cl2 N5 -","- C36 H48 Br Cl2 N5 -","- C72 H96 Br2 Cl4 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0924","0.0603","","","0.1247","0.1368","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203253","10.4518","0.0005","16.2074","0.0008","10.5977","0.0003","90","","99.626","0.002","90","","1769.94","0.13","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl3 N5 -","- C37 H50 Cl3 N5 -","- C74 H100 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0877","0.0575","","","0.1417","0.1582","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203255","10.3713","0.0004","16.0168","0.0006","10.5997","0.0002","90","","99.974","0.002","90","","1734.16","0.1","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C36 H48 Cl3 N5 -","- C36 H48 Cl3 N5 -","- C72 H96 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0708","0.0432","","","0.0825","0.0917","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203264","8.6464","0.0003","5.6435","0.0001","10.8654","0.0004","90","","109.451","0.001","90","","499.93","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Isopropyl-(S)-(-)-3,3,3-trichlorolactate","","","- C6 H9 Cl3 O3 -","- C6 H9 Cl3 O3 -","- C12 H18 Cl6 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0271","0.0266","","","0.0657","0.0659","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203266","9.2129","0.0001","6.6622","0.0002","12.5141","0.0003","90","","103.89","0.002","90","","745.63","0.03","296","1","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-(S)-1-Phenylethylammonium-(S)-3,3,3-trichlorolactate","","","- C11 H14 Cl3 N O3 -","- C11 H14 Cl3 N O3 -","- C22 H28 Cl6 N2 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0726","0.0607","","","0.1499","0.1562","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203302","10.9364","0.0006","8.8819","0.0005","19.9898","0.0007","90","","101.773","0.003","90","","1900.88","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H27 Mn N4 O8 -","- C48 H27 Mn N4 O8 -","- C96 H54 Mn2 N8 O16 -","2","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1035","0.064","","","0.1347","0.155","","","","","","1.033","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203326","13.02","0.0009","14.0538","0.001","16.5587","0.0012","90","","100.253","0.001","90","","2981.5","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H44 Mn4 N32 O6 -","- C48 H44 Mn4 N32 O6 -","- C96 H88 Mn8 N64 O12 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0948","0.0674","","","0.179","0.1962","","","","","","1.074","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203339","7.478","0.001","25.381","0.005","13.776","0.003","90","","90.7","0.02","90","","2614.5","0.8","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O10 -","- C57 H92 O10 -","- C114 H184 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0659","","","","0.168","","","","","","1.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203340","7.465","0.0001","25.3714","0.0005","13.7625","0.0003","90","","90.605","0.001","90","","2606.44","0.08","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Cl O10 -","- C56 H89 Cl O10 -","- C112 H178 Cl2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0994","","","","0.2495","","","","","","2.539","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203341","7.463","0.001","25.378","0.003","13.764","0.002","90","","90.63","0.01","90","","2606.7","0.6","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0826","","","","0.217","","","","","","2.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203342","7.453","0.001","25.368","0.004","13.763","0.002","90","","90.51","0.02","90","","2602","0.7","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0636","","","","0.166","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203343","7.475","0.002","25.385","0.007","13.809","0.004","90","","90.67","0.02","90","","2620.1","1.3","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Br O10 -","- C55 H86 Br O10 -","- C110 H172 Br2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0924","","","","0.2567","","","","","","2.594","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203344","13.625","0.003","7.745","0.001","15.218","0.003","90","","112.357","0.008","90","","1485.2","0.5","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O5 -","- C32 H51 N O5 -","- C64 H102 N2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.104","","","","0.2842","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203345","11.9707","0.0009","8.069","0.0005","16.22","0.001","90","","111.245","0.002","90","","1460.24","0.17","198.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0793","","","","0.1951","","","","","","1.377","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203346","12.078","0.001","8.0989","0.0009","16.226","0.002","90","","111.031","0.006","90","","1481.5","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Cl O5 -","- C24 H40 O5 -","- C48 H80 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.1995","","","","0.4387","","","","","","3.447","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203347","12.083","0.002","8.1351","0.0005","16.265","0.001","90","","111.618","0.006","90","","1486.3","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0831","","","","0.2202","","","","","","1.986","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203348","13.3968","0.0005","8.0808","0.0004","14.0372","0.0006","90","","104.763","0.002","90","","1469.46","0.11","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0798","","","","0.1913","","","","","","1.575","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203349","11.9681","0.0006","8.1491","0.0003","16.3101","0.0007","90","","111.379","0.002","90","","1481.25","0.11","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Br O5 -","- C32 H49 Br O5 -","- C64 H98 Br2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0592","","","","0.1436","","","","","","1.569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203350","7.3178","0.0002","25.8105","0.0006","13.6157","0.0003","90","","90.889","0.001","90","","2571.37","0.11","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O8 -","- C57 H92 O8 -","- C114 H184 O16 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.094","","","","0.2027","","","","","","1.374","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203354","7.4288","0.0008","10.2892","0.0011","22.174","0.002","90","","97.553","0.002","90","","1680.2","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H62 O5 -","- C38 H62 O5 -","- C76 H124 O10 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0648","0.053","","","0.1105","0.1168","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203355","9.4045","0.0009","7.9586","0.0008","11.6746","0.0012","90","","111.274","0.002","90","","814.26","0.14","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Androsterone","Androsterone","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0438","0.041","","","0.1023","0.1049","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203396","7.892","0.005","10.861","0.006","10.786","0.006","90","","109.986","0.008","90","","868.8","0.9","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C44 H40 F2 N2 O2 -","2","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0283","0.0274","","","0.0723","0.0729","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203397","10.5513","0.0019","15.868","0.002","10.5844","0.0019","90","","100.578","0.006","90","","1742","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H49 Cl3 N6 -","- C35 H49 Cl3 N6 -","- C70 H98 Cl6 N12 -","2","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.71073","MoKα","","0.1819","0.0932","","","0.1866","0.2228","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203408","7.3346","0.0003","13.6142","0.0003","7.9365","0.0003","90","","97.519","0.003","90","","785.68","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O10 -","- C10 H18 Cu N2 O10 -","- C20 H36 Cu2 N4 O20 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0504","0.0367","","","0.0786","0.0829","","","","","","1.046","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203508","11.221","0.002","5.4718","0.0011","30.459","0.006","90","","93.79","0.03","90","","1866.1","0.6","100","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","2","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.062","0.0564","","","0.1217","0.1243","","","","","","1.13","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203515","7.76154","0.00025","5.51328","0.00018","13.0011","0.0006","90","","98.597","0.013","90","","550.09","0.04","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.61 O7 Ti2 Y0.35 -","- La1.6058 O7 Ti2 Y0.3482 -","- La6.4232 O28 Ti8 Y1.3928 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203517","7.7865","0.00022","5.53083","0.00015","13.0051","0.0006","90","","98.617","0.012","90","","553.75","0.04","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203519","7.80068","0.00021","5.54031","0.00014","13.0072","0.0005","90","","98.633","0.012","90","","555.78","0.03","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.41","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203520","7.80896","0.0001","5.54608","0.00007","13.01425","0.00022","90","","98.658","0.004","90","","557.213","0.015","","","","","","","","","","","Synthetic","3","P 1 21 1","P 2yb","4","Lanthanum Titanate","Lanthanum Titanate","","- La1.94 O7 Ti2.07 -","- La1.94416 O7 Ti2.07313 -","- La7.77664 O28 Ti8.29252 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","2.19","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203527","7.77611","0.00019","5.52192","0.00014","13.0062","0.0004","90","","98.573","0.009","90","","552.23","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La6.6 O28 Ti8 Y1.4 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203529","7.77648","0.00025","5.52235","0.00018","13.0065","0.0005","90","","98.628","0.007","90","","552.24","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La6.8 O28 Ti8 Y1.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203531","7.7756","0.0004","5.52257","0.00027","13.0015","0.0007","90","","98.586","0.009","90","","552.04","0.05","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La7 O28 Ti8 Y -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203533","7.7821","0.0004","5.52664","0.00025","13.0058","0.0007","90","","98.62","0.01","90","","553.05","0.05","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.8 O7 Ti2 Y0.2 -","- La1.8 O7 Ti2 Y0.2 -","- La7.2 O28 Ti8 Y0.8 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203534","7.7889","0.0004","5.53193","0.00026","13.0091","0.0009","90","","98.649","0.019","90","","554.16","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203535","7.7953","0.0004","5.53702","0.00028","13.0114","0.0009","90","","98.626","0.018","90","","555.25","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203609","7.1234","0.0005","18.3038","0.0014","12.4646","0.0009","90","","99.972","0.001","90","","1600.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Mn N4 O13 S -","- C27 H36 Mn N4 O13 S -","- C54 H72 Mn2 N8 O26 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0595","0.0502","","","0.0886","0.0933","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203610","11.7049","0.0007","7.2824","0.0004","13.4553","0.0008","90","","114.163","0.001","90","","1046.44","0.11","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Mn N2 O10 S -","- C17 H22 Mn N2 O10 S -","- C34 H44 Mn2 N4 O20 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0353","0.0351","","","0.0851","0.0853","","","","","","1.121","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203659","6.894","0.0001","17.476","0.0004","14.21","0.0003","90","","103.18","0.001","90","","1666.92","0.06","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0705","0.0466","","","0.1206","0.1313","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203660","10.8207","0.0016","13.254","0.002","11.8837","0.0018","90","","103.423","0.002","90","","1657.8","0.4","240","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.0946","0.0888","","","0.2392","0.2469","","","","","","1.006","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203666","10.383","0.003","9.893","0.001","13.212","0.003","90","","98.41","0.01","90","","1342.5","0.5","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C70 H48 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.042","","","","0.051","","","","","","1.58","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203719","11.2787","0.0012","11.699","0.0013","11.696","0.0013","90","","115.519","0.002","90","","1392.7","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 O2 Sn -","- C32 H39 O2 Sn -","- C64 H78 O4 Sn2 -","2","1","","John Fawcett; Eric G. Hope; Alison M. Stuart; Andrew J. West","Recycling of a perfluoroalkylated BINOL ligand using fluorous solid-phase extraction","Green Chemistry","2005","7","5","316","","10.1039/b418039a","","","0.71073","MoKα","","0.0459","0.045","","","0.1199","0.1205","","","","","","1.076","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203734","8.7533","0.001","8.9226","0.001","19.8607","0.0023","90","0.005","99.557","0.005","90","0.005","1529.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ru(terpy)(terpyOH)](BF4)2.H2O","","- C30 H22 B2 F8 N6 O2 Ru -","- C30 H22 B2 F8 N6 O2 Ru -","- C60 H44 B4 F16 N12 O4 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71069","MoKα","","0.0406","0.0401","","","0.1094","0.1099","","","","","","1.065","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203736","8.806","0.002","9.047","0.001","20.163","0.004","90","","98.38","0.01","90","","1589.2","0.5","294","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Cu F8 N6 O3 -","- C30 H21 B2 Cu F8 N6 O3 -","- C60 H42 B4 Cu2 F16 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.051","","","","0.068","","","","","","1.27","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203776","7.811","0.003","11.056","0.002","8.938","0.001","90","","98.02","0.02","90","","764.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0738","0.0353","","","0.0725","0.0809","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203777","7.6924","0.0006","10.9917","0.0008","8.9403","0.0007","90","","97.213","0.001","90","","749.94","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0223","0.0222","","","0.0578","0.0579","","","","","","1.081","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203778","7.701","0.003","10.977","0.002","8.943","0.005","90","","97.15","0.02","90","","750.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 Co N4 -","- C14 H14 Cl2 Co N4 -","- C28 H28 Cl4 Co2 N8 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0292","0.0286","","","0.0712","0.0716","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203834","6.584","0.003","5.827","0.002","9.948","0.004","90","","97.2312","0.0016","90","","378.6","0.3","93.15","","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H12 F4 N2 O2 V -","- C2 H12 F4 N2 O2 V -","- C4 H24 F8 N4 O4 V2 -","2","1","","Stephens, Nicholas F.; Buck, Manfred; Lightfoot, Philip","Polar ordering of polar octahedra in [C2N2H10][VOF4(H2O)]","Journal of Materials Chemistry","2005","15","40","4298","","10.1039/b508959j","","","0.7107","MoKα","","0.0228","0.0223","","","0.0525","0.0527","","","","","","1.041","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203841","9.9758","0.0007","7.6623","0.0003","12.8922","0.0009","90","","112.418","0.005","90","","910.97","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 O4 S5 -","- C18 H14 O4 S5 -","- C36 H28 O8 S10 -","2","1","","Spencer, Howard J.; Skabara, Peter J.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.","The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDTT by analogy with well-defined EDTT‒EDOT copolymers","Journal of Materials Chemistry","2005","15","45","4783","","10.1039/b511075k","","","0.71073","MoKα","","0.0294","0.0265","","","0.06","0.0615","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203853","9.965","0.001","8.132","0.001","17.301","0.002","90","","90.9","0.01","90","","1401.8","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H49 N O8 S -","- C26 H42 N O8 S -","- C52 H84 N2 O16 S2 -","2","1","","Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio","On the role of hydronium ions in the protonated micellar aggregates of bile salts","J. Chem. Soc., Perkin Trans. 2","2000","","2","403","407","10.1039/a902558h","","","1.54178","CuKα","","","0.066","","","0.083","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203854","9.659","0.003","8.334","0.002","17.308","0.005","90","","91.18","0.02","90","","1393","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H49 N O8 S -","- C26 H49 N O8 S -","- C52 H98 N2 O16 S2 -","2","1","","Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio","On the role of hydronium ions in the protonated micellar aggregates of bile salts","J. Chem. Soc., Perkin Trans. 2","2000","","2","403","407","10.1039/a902558h","","","0.71069","MoKα","","","0.036","","","0.046","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203859","9.923","0.01","7.658","0.01","15.573","0.01","90","","107.02","0.1","90","","1132","2","293","2","293","2","","","","","","","preparation","4","P 1 21 1","P 2yb","4","d-trans chrysanthemic acid DMAD salt","(1R,3R)-2,2-dimethyl-3-(methylpropenyl)-cyclopropanecarboxylic acid (1R,2R)-1-(4-nitrophenyl)- -2-dimethylamino-1,3-propanediol salt","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C42 H64 N4 O12 -","2","1","","Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér","Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","149","","10.1039/a904682h","","","0.71069","MoKα","","0.1323","0.0989","","0.3124","0.2649","","","","1.017","1.105","1.105","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203863","12.121","0.004","6.319","0.002","10.882","0.004","90","0","102.69","0.03","90","0","813.1","0.5","293","","","","","","","","","","Saigo laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.061","","","0.075","","","","","1.16","1.16","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203864","12.294","0.005","6.388","0.004","11.134","0.005","90","0","103.71","0.03","90","0","849.5","0.7","293","","","","","","","","","","Saigo laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.086","","","0.086","","","","","1.051","1.051","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203865","14.584","0.004","6.175","0.003","10.852","0.003","90","0","107.8","0.02","90","0","930.5","0.6","293","","","","","","","","","","Saigol laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H25 N O5 -","- C38 H50 N2 O10 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.045","","","0.057","","","","","1.146","1.146","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203866","12.351","0.003","6.17","0.002","11.431","0.002","90","0","99.1","0.02","90","0","860.1","0.4","293","","","","","","","","","","Saigo laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.043","","","0.047","","","","","1.05","1.05","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203867","16.848","0.004","5.947","0.002","8.58","0.002","90","0","101.75","0.02","90","0","841.7","0.4","293","","","","","","","","","","Saigol laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.101","","","0.132","","","","","1.767","1.767","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203870","15.787","0.002","6.3359","0.0008","9.353","0.001","90","0","99.428","0.008","90","0","922.9","0.19","293","","","","","","","","","","Saigo laboratory","5","P 1 21 1","P 2yb","4","","","","?","- C19 H20 F3 N O4 -","- C38 H40 F6 N2 O8 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.047","","","0.056","","","","","1.017","1.017","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203877","5.3472","0.0003","7.3229","0.0006","12.1705","0.0007","90","","102.379","0.005","90","","465.48","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","L-p-boronophenylalanine","","- C9 H12 B N O4 -","- C9 H12 B N O4 -","- C18 H24 B2 N2 O8 -","2","1","","Shull, Brian K.; Spielvogel, David E.; Gopalaswamy, Ramesh; Sankar, Sabapathy; Boyle, Paul D.; Head, Gerald; Devito, Kevin","Evidence for spontaneous, reversible paracyclophane formation. Aprotic solution structure of the boron neutron capture therapy drug, L-p-boronophenylalanine","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","557","","10.1039/a906038c","","","0.71073","MolybdenumKα","","0.031","0.031","","0.043","0.043","","","","","1.6","1.6","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203916","5.1195","0.001","9.171","0.0018","21.063","0.004","90","","92.94","0.03","90","","987.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C46 H40 N8 O4 -","2","1","","Darkins, Paul; Groarke, Michelle; McKervey, M. Anthony; Moncrieff, Hazel M.; McCarthy, Noreen; Nieuwenhuyzen, Mark","Enantiopure N-protected α-amino glyoxals 1. Synthesis from α-amino acids and some condensation reactions with amines","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","381","","10.1039/a907948c","","","1.54178","CuKα","","0.0609","0.0483","","","0.1119","0.1196","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203935","6.1029","0.0016","13.105","0.002","14.153","0.002","90","","94.418","0.015","90","","1128.6","0.4","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 F O6 -","- C25 H31 F O6 -","- C50 H62 F2 O12 -","2","1","","Keith Biggadike; Sean M. Lynn; Panayiotis A. Procopiou; Rupert E. Shaw; Christopher Williamson","Novel glucocorticoid antedrugs possessing a C16,17-fused γ-lactone ring","J. Chem. Soc., Perkin Trans. 1","2000","","5","813","818","10.1039/a908358h","","","1.54184","CuKα","","0.1104","0.073","","0.1973","0.1707","","","","1.043","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203938","9.907","0.007","5.888","0.004","12.317","0.006","90","","103.06","0.05","90","","699.9","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S2 -","- C13 H16 O4 S2 -","- C26 H32 O8 S4 -","2","1","","Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M.","Concerning the synthesis and enantioselective rearrangements of episulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","153","","10.1039/a908391j","","","0.71073","MoKα","","0.0298","0.0264","","0.0641","0.0611","","","","1.118","1.096","1.096","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203939","6.101","0.002","8.826","0.004","7.894","0.003","90","","98.54","0.03","90","","420.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 S -","- C8 H12 O2 S -","- C16 H24 O4 S2 -","2","1","","Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M.","Concerning the synthesis and enantioselective rearrangements of episulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","153","","10.1039/a908391j","","","0.71073","MoKα","","0.0567","0.0522","","","0.1364","0.142","","","","","","1.075","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203943","6.093","0.003","7.5041","0.0008","9.297","0.004","90","","108.35","0.02","90","","403.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 N6 O3 -","- C6 N6 O3 -","- C12 N12 O6 -","2","1","","Barbieux-Flammang, Monique; Vandevoorde, Séverine; Flammang, Robert; Wong, Ming Wah; Bibas, Hervé; Kennard, Colin H. L.; Wentrup, Curt","Monomer, dimers and trimers of cyanogen N-oxide, NC‒CN→O. An X-ray, FVT-MS/IR and theoretical investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","473","","10.1039/a908653f","","","0.71073","MoKα","","0.0616","0.0569","","","0.1483","0.1547","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203959","13.66","0.002","10.601","0.002","12.34","0.002","90","","112.086","0.011","90","","1655.83","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H40 N4 Ni O2 -","- C36 H40 N4 Ni O2 -","- C72 H80 N8 Ni2 O4 -","2","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","0.0509","0.0352","","0.0632","0.0568","","","","1.076","1.115","1.115","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204117","6.225","0.001","15.209","0.002","6.766","0.001","90","","96.65","0.01","90","","636.27","0.16","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodo-4',5,5'-trimethyltetrathiafulvalene","","- C9 H9 I S4 -","- C8.742 H8.325 I0.999 S4 -","- C17.484 H16.65 I1.998 S8 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.1238","0.0782","","0.2208","0.1643","","","","1.272","1.243","1.243","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204171","17.014","0.0004","11.214","0.0003","18.405","0.0004","90","","112.716","0.002","90","","3239.19","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-deoxy-3',5'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O4 Si2 -","- C28 H53 N5 O4 Si2 -","- C112 H212 N20 O16 Si8 -","4","2","","Takafumi Sato; Masayuki Seko; Ryoichi Takasawa; Isao Yoshikawa; Koji Araki","Mesoscopic-scale sheet-like assembly: critical role of inter-tape hydrogen bonds in the organogel formation and gel‒liquid crystal transition of an alkylsilylated deoxyguanosine‒dodecane system","J. Mater. Chem.","","11","12","3018","3022","10.1039/b105000c","","","1.54184","CuKα","","0.0552","0.0547","","","0.1514","0.1535","","","","","","1.052","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204184","7.715","0.0006","8.0282","0.0006","10.0287","0.0008","90","","109.876","0.002","90","","584.15","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.031","0.0298","","","0.0799","0.0807","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204185","10.5447","0.001","9.5411","0.0009","14.7057","0.0013","90","","94.006","0.002","90","","1475.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","2","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.0495","0.0349","","","0.0735","0.0786","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204194","7.1388","0.0005","7.9552","0.0005","9.4073","0.0006","90","","96.849","0.003","90","","530.43","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(N,N-Dimethylamino-phenyl-methylene)propanedinitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar","The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","404","","10.1039/b105532c","","","0.71073","MoKα","","0.0334","0.0286","","","0.0696","0.0724","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204200","9.649","0.002","9.283","0.006","15.152","0.005","90","","96.69","0.01","90","","1347.9","1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O4 Si -","- C27 H35 N3 O4 Si -","- C54 H70 N6 O8 Si2 -","2","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.0698","0.045","","0.0994","0.0883","","","","1.031","1.05","1.05","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204219","5.634","0.007","16.312","0.006","11.909","0.006","90","","94.2","0.09","90","","1091.5","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","","Charrier, Jean-Damien; Duffy, James E. S.; Hitchcock, Peter B.; Young, Douglas W.","Unusual stereoselectivity in the alkylation of pyroglutamate ester urethanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2367","","10.1039/b106451g","","","0.71073","MoKα","","0.0769","0.0603","","0.1694","0.1514","","","","1.095","1.092","1.092","","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204268","6.6813","0.0006","13.75","0.002","7.4108","0.0006","90","","106.179","0.006","90","","653.85","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H10 Cr O6 -","- C12 H10 Cr O6 -","- C24 H20 Cr2 O12 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","0.71073","MoKα","","0.0498","0.0396","","0.0972","0.09","","","","1.043","1.056","1.056","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204280","12.192","0.008","7.217","0.003","13.224","0.006","90","","117.23","0.05","90","","1034.6","1","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C29 H24 -","- C29 H24 -","- C58 H48 -","2","1","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","0.71073","MoKα","","0.165","0.0618","","0.1664","0.1208","","","","1.008","1.149","1.149","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204301","9.0926","0.0004","9.1306","0.0004","12.1838","0.0005","90","","98.03","0.001","90","","1001.59","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O7 -","- C24 H18 N2 O7 -","- C48 H36 N4 O14 -","2","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.0962","0.0652","","","0.1623","0.2037","","","","","","0.941","","","","has coordinates","274634","2022-04-22","15:35:50",""
"7204312","13.373","0.007","5.3282","0.0011","8.926","0.004","90","0.02","100.65","0.04","90","0.02","625.1","0.5","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K1.33 O32 P4 W8 -","- K1.30688 O32 P4 W8 -","- K1.30688 O32 P4 W8 -","1","0.5","","Dusek, Michal; Lüdecke, Jens; van Smaalen, Sander","Crystal structure of monophosphate tungsten bronze K1.33P4W8O32 at 110 K","Journal of Materials Chemistry","2002","12","5","1408","","10.1039/b109982p","","x-ray","0.59","synchrotron","","0.0507","0.0283","","","0.053","0.0597","","","","2.48","2.48","2.19","","","","has coordinates","190383","2020-10-21","18:00:00",""
"7204334","7.147","0.001","6.349","0.001","11.384","0.001","90","","106.03","0.02","90","","496.48","0.12","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O5 -","- C7 H12 N4 O5 -","- C14 H24 N8 O10 -","2","1","","Daniel D. Long; Martin D. Smith; Angeles Martín; Joseph R. Wheatley; David G. Watkin; Mattaius Müller; George W. J. Fleet","Complex tetrahydrofurans from carbohydrate lactones: THF amino acids as building blocks for unnatural biopolymers","J. Chem. Soc., Perkin Trans. 1","2002","","17","1982","1998","10.1039/b111258a","","","1.5418","CuKα","","","0.0275","","","","0.023","","","","","","0.9856","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204351","6.696","0.007","10.816","0.008","9.659","0.007","90","","93.54","0.07","90","","698.2","1","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23 Cl Sn -","- C12 H23 Cl Sn -","- C24 H46 Cl2 Sn2 -","2","1","","Helliwell, Madeleine; Thomas, Eric J.; Townsend, Linda A.","Synthesis of chiral organotin reagents: synthesis of enantiomerically enriched bicyclo[2.2.1]hept-2-yl tin hydrides from camphor. X-Ray crystal structures of (dimethyl)[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]tin chloride and methyl(phenyl)bis[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]stannane","Journal of the Chemical Society, Perkin Transactions 1","2002","","10","1286","","10.1039/b200317c","","","0.7107","MoKα","","0.1071","0.0714","","0.0435","0.0423","","","","2.607","2.97","2.97","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7204352","6.949","0.002","14.011","0.004","12.055","0.003","90","","93.6","0.02","90","","1171.4","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","2","","Davison, Edwin C.; Fox, Martin E.; Holmes, Andrew B.; Roughley, Stephen D.; Smith, Catherine J.; Williams, Geoffrey M.; Davies, John E.; Raithby, Paul R.; Adams, Joseph P.; Forbes, Ian T.; Press, Neil J.; Thompson, Mervyn J.","Nitrone dipolar cycloaddition routes to piperidines and indolizidines. Part 9. Formal synthesis of (‒)-pinidine and total synthesis of (‒)-histrionicotoxin, (+)-histrionicotoxin and (‒)-histrionicotoxin 235A","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1494","1514","10.1039/b200328g","","","0.71073","MoKα","","0.0719","0.0647","","","0.1493","0.1552","","","","","","1.273","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204355","5.1675","0.0002","10.5383","0.0006","16.2748","0.0009","90","","98.367","0.002","90","","876.84","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O8 -","- C21 H18 O8 -","- C42 H36 O16 -","2","1","","Tero Kunnari; Karel D. Klika; Gloria Blanco; Carmen Méndez; Pekka Mäntsälä; Juha Hakala; Reijo Sillanpää; Petri Tähtinen; Jose Salas; Kristiina Ylihonko","Hybrid compounds generated by the introduction of a nogalamycin-producing plasmid into Streptomyces argillaceus","J. Chem. Soc., Perkin Trans. 1","2002","","15","1818","1825","10.1039/b200444p","","x-ray","0.71073","MoKα","","0.1416","0.0711","","","0.1098","0.1324","","","","","","1.064","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204358","6.436","0.001","10.547","0.002","8.763","0.002","90","","105.899","0.003","90","","572.08","0.19","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5S)-1-N-Acetyl-4,5-isopropylidene-3-methyl-hexahydropyridazine","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C20 H36 N4 O6 -","2","1","","Jensen, Henrik H.; Jensen, Astrid; Hazell, Rita G.; Bols, Mikael","Synthesis and investigation of L-fuco- and D-glucurono-azafagomine","Journal of the Chemical Society, Perkin Transactions 1","2002","","9","1190","","10.1039/b200884j","","","0.71073","MoKα","","","0.039","","","","0.046","","","","","","1.37","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7204362","7.5576","0.0005","7.5977","0.0003","10.969","0.0007","90","","109.847","0.003","90","","592.43","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(8-methoxynaphth-1-yl)propynoate","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.0531","0.0463","","0.1271","0.1221","","","","1.155","1.186","1.186","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204371","10.759","0.006","10.339","0.006","22.581","0.007","90","","103.56","0.04","90","","2442","2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 N O3 P -","- C28 H26 N O3 P -","- C112 H104 N4 O12 P4 -","4","2","","Feeder, Neil; Fox, David J.; Medlock, Jonathan A.; Warren, Stuart","Synthesis, X-ray crystal structures and Horner‒Wittig addition reactions of some protected β-aminophosphine oxides","Journal of the Chemical Society, Perkin Transactions 1","2002","","9","1175","","10.1039/b201680j","","","1.54178","CuKα","","0.1188","0.0619","","","0.1308","0.1543","","","","","","1.031","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204380","8.5854","0.0007","8.3775","0.0007","12.428","0.001","90","","103.395","0.009","90","","869.56","0.13","253","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Benningshof, Jorg C. J.; Blaauw, Richard H.; van Ginkel, Angeline E.; van Maarseveen, Jan H.; Rutjes, Floris P. J. T.; Hiemstra, Henk","Studies towards the total synthesis of solanoeclepin A: synthesis of the 7-oxabicyclo[2.2.1]heptane moiety and attempted seven-membered ring formation","Journal of the Chemical Society, Perkin Transactions 1","2002","","14","1693","","10.1039/b201987f","","","1.5418","MoKα","","0.066","0.06","","0.07","","0.068","","","0.989","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204381","14.412","0.003","9.096","0.002","14.908","0.003","90","","117.43","0.03","90","","1734.6","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H24 Cl4 O9 S -","- C34 H22 Cl4 O9 S -","- C68 H44 Cl8 O18 S2 -","2","1","","Cai, Yudong; Roberts, Brian P.; Tocher, Derek A.","Carbohydrate-derived thiols as protic polarity-reversal catalysts for enantioselective radical-chain reactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","11","1376","","10.1039/b202022j","","","0.71073","MoKα","","0.0628","0.049","","0.141","0.1232","","","","1.015","1.02","1.02","","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204396","11.5114","0.0009","10.7109","0.0009","12.4297","0.001","90","","100.909","0.001","90","","1504.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O5 S -","- C33 H42 N2 O5 S -","- C66 H84 N4 O10 S2 -","2","1","","Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist","Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates","J. Chem. Soc., Perkin Trans. 1","2002","","16","1911","1919","10.1039/b202321k","","","0.71073","MoKα","","0.08","0.0748","","","0.211","0.2177","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204398","10.0165","0.0015","12.3521","0.0015","10.5145","0.0016","90","","115.807","0.016","90","","1171.2","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N3 O5 S -","- C22 H33 N3 O5 S -","- C44 H66 N6 O10 S2 -","2","1","","Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist","Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates","J. Chem. Soc., Perkin Trans. 1","2002","","16","1911","1919","10.1039/b202321k","","","0.71073","MoKα","","0.0518","0.037","","","0.0826","0.0871","","","","","","0.915","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204423","5.092","0.0002","28.9279","0.0009","5.7024","0.0002","90","","90.021","0.002","90","","839.97","0.05","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","","Kundu, Sandip Kumar; Mazumdar, Pooja Anjali; Das, Amit Kumar; Bertolasi, Valerio; Pramanik, Animesh","Parallel ??-sheet assemblage in a model dipeptide: an X-ray diffraction study","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1602","","10.1039/b203164g","","","0.71069","MoKα","","0.0376","0.0333","","","0.0872","0.0905","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204433","10.483","0.003","10.019","0.002","13.104","0.004","90","","90.12","0.02","90","","1376.3","0.6","295","","295","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","19b","","","- C26 H41 N O4 -","- C26 H41 N O4 -","- C52 H82 N2 O8 -","2","1","","Oishi, Shinya; Niida, Ayumu; Kamano, Takae; Miwa, Yoshihisa; Taga, Tooru; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Yamamoto, Mikio; Ajito, Keiichi; Tamamura, Hirokazu; Otaka, Akira; Fujii, Nobutaka","Regio- and stereoselective ring-opening of chiral 1,3-oxazolidin-2-one derivatives by organocopper reagents provides novel access to di-, tri- and tetra-substituted alkene dipeptide isosteresElectronic supplementary information (ESI) available: synthetic procedures and characterization for 4a,b, 5a,b, 7b, 8a,b, 9a,b, 10b, 11a,b, 12b,c, 13b, 14a,b, 15, 16a,b, 17a,b, 18, 19b, 20b. See http://www.rsc.org/suppdata/p1/b2/b203482d/","Journal of the Chemical Society, Perkin Transactions 1","2002","","15","1786","","10.1039/b203482d","","","1.54051","CU","","","0.061","","","0.077","","","","","1.15","1.15","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204453","12.82","0.01","6.658","0.006","14.427","0.012","90","","97.78","0.06","90","","1220.1","1.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-(triphenylstannyl)-alpha- D-xylofuranose","","- C26 H28 O4 Sn -","- C26 H28 O4 Sn -","- C52 H56 O8 Sn2 -","2","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0889","0.0679","","","0.1513","0.1659","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204488","9.2257","0.0012","6.1948","0.0008","9.5781","0.0012","90","","108.22","0.002","90","","519.96","0.12","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C24 H28 O8 -","2","1","","Ravindra Babu, B.; Prasad, Ashok K.; Trikha, Smriti; Thorup, Niels; Parmar, Virinder S.; Wengel, Jesper","Conformationally locked aryl C-nucleosides: synthesis of phosphoramidite monomers and incorporation into single-stranded DNA and LNA (locked nucleic acid)1","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2509","","10.1039/b206626b","","","0.71073","MoKα","","0.0405","0.0346","","","0.0823","0.0853","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204500","7.309","0.00014","12.0081","0.0004","13.0629","0.0003","90","","90.441","0.002","90","","1146.46","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4R)-piperidinium (S)-Mosher carboxylate","","- C23 H27 F4 N O4 -","- C23 H27 F4 N O4 -","- C46 H54 F8 N2 O8 -","2","1","","Hana Navrátilová; René de Gelder; Zdeněk Kříž","Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid","J. Chem. Soc., Perkin Trans. 2","2002","","12","2093","2099","10.1039/b207176b","","","1.54184","CuKα","","0.0495","0.0468","","0.1573","0.1535","0.1573","","","1.153","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204501","8.9615","0.0002","8.97716","0.00019","14.7286","0.0007","90","","101.862","0.005","90","","1159.6","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R,4S)-piperidinium (S)-Mosher carboxylate","","- C23 H27 F4 N O4 -","- C23 H27 F4 N O4 -","- C46 H54 F8 N2 O8 -","2","1","","Hana Navrátilová; René de Gelder; Zdeněk Kříž","Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid","J. Chem. Soc., Perkin Trans. 2","2002","","12","2093","2099","10.1039/b207176b","","","1.54184","CuKα","","0.0359","0.0337","","0.0936","0.0911","0.0936","","","1.036","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204515","7.0991","0.0015","6.3581","0.0014","16.766","0.003","90","","90.415","0.005","90","","756.7","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(E)-1-Fluoro-2-phenylseleno-cycloundecene","(E)-1-Fluoro-2-phenylseleno-cycloundecene","","- C17 H23 F Se -","- C17 H23 F Se -","- C34 H46 F2 Se2 -","2","1","","Poleschner, Helmut; Seppelt, Konrad","PhSeOTf???Et3N??3HF and PhSeSbF6???Et3N??3HF as new PhSe???F equivalents in the fluoroselenenylation of acetylenes","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2668","","10.1039/b207886b","","","0.71073","MoKα","","0.0676","0.0646","","","0.1738","0.1789","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204532","5.7982","0.0009","21.474","0.003","8.7813","0.0013","90","","106.221","0.002","90","","1049.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O -","- C28.003 H25 N1.003 O -","- C56.006 H50 N2.006 O2 -","2","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.0592","0.049","","","0.1217","0.1273","","","","","","1.057","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204534","7.2981","0.0006","10.1999","0.0009","8.6263","0.0008","90","","107.65","0.002","90","","611.91","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.0305","0.0295","","","0.0787","0.0798","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204552","6.983","0.0011","16.174","0.0017","12.36","0.004","90","","99.31","0.02","90","","1377.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-hydroxyquinolinium salicylate","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","2","","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound","CrystEngComm","2003","5","11","58","","10.1039/b210197c","","","1.5418","CuKα","","0.0367","0.0344","","","0.0998","0.1027","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204560","5.2725","0.0005","15.204","0.0015","13.9432","0.0013","90","","99.532","0.002","90","","1102.3","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H28 B2 Cu F8 N8 O2 -","- C12 H28 B2 Cu F8 N8 O2 -","- C24 H56 B4 Cu2 F16 N16 O4 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","Synchrotron","","0.0508","0.0456","","","0.1135","0.1152","","","","","","1.074","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204608","9.8539","0.0001","9.2288","0.0001","33.0868","0.0005","90","","92.658","0.0007","90","","3005.67","0.06","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C144 H152 O24 -","4","2","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","0.71073","MoKα","","0.0387","0.0328","","","0.0656","0.0673","","","","","","1.048","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204630","7.5296","0.0009","6.6592","0.0008","10.1513","0.0012","90","","94.46","0.002","90","","507.46","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","pyridinium trivanadate heptaoxide","","- C5 H6 N O7 V3 -","- C5 H6 N O7 V3 -","- C10 H12 N2 O14 V6 -","2","1","","Lutta, Samuel T.; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","Solvothermal synthesis and characterization of a layered pyridinium vanadate, (C5H6N)V3O7","Journal of Materials Chemistry","2003","13","6","1424","","10.1039/b302534a","","","0.71073","MoKα","","0.0491","0.0406","","","0.0934","0.0984","","","","","","1.018","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204680","8.422","0.007","4.965","0.004","8.645","0.007","90","","109.79","0.013","90","","340.1","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-iodoaniline","4-iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C12 H12 I2 N2 -","2","1","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0423","0.0391","","","0.0958","0.0974","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204693","5.7222","0.0005","4.9314","0.0003","6.8872","0.0004","90","","98.786","0.004","90","","192.07","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","zn2(oh)bo3","","","- B H O4 Zn2 -","- B O4 Zn2 -","- B2 O8 Zn4 -","2","1","","Yu, Zhen-Tao; Xu, Jin-Jie; Jiang, Yu-Sheng; Shi, Zhan; Guo, Ying; Wang, De-Jun; Chen, Jie-Sheng","Photoluminescent and photovoltaic properties observed in a zinc borate Zn2(OH)BO3Electronic supplementary information (ESI) available: Crystallographic details and ORTEP plot of the asymmetric unit of Zn2(OH)BO3. XPS and IR spectra and DT?TGA curves for Zn2(OH)BO3. See http://www.rsc.org/suppdata/jm/b3/b305968e/","Journal of Materials Chemistry","2003","13","9","2227","","10.1039/b305968e","","","0.71073","MoKα","","0.029","0.0287","","","0.0714","0.0716","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204828","5.4266","0.0003","9.1466","0.0008","26.211","0.002","90","","92.904","0.005","90","","1299.31","0.17","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C58 H78 N2 O8 -","2","1","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71073","MoKα","","0.1682","0.0823","","","0.1258","0.1522","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204844","7.381","0.0005","14.5798","0.001","8.6905","0.0006","90","","103.661","0.001","90","","908.76","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(ethylpyridinium) tetrachlorocobaltate(ii)","Bis(ethylpyridinium) tetrachlorocobaltate(II)","","- C14 H20 Cl4 Co N2 -","- C14 H20 Cl4 Co N2 -","- C28 H40 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0403","0.0364","","","0.0855","0.087","","","","","","0.982","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204908","5.767","0.001","7.971","0.001","13.462","0.001","90","","91.47","0.01","90","","618.63","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-propanoyl-alpha-D-galactopyranoside","","- C10 H18 O7 -","- C10 H18 O7 -","- C20 H36 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0481","0.0432","","0.115","0.1122","","","","1.037","1.068","1.068","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204909","5.77","0.001","7.973","0.001","15.451","0.001","90","","93.69","0.01","90","","709.34","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-pentanoyl-alpha-D-galactopyranoside","","- C12 H22 O7 -","- C12 H22 O7 -","- C24 H44 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0618","0.0533","","0.1503","0.1438","","","","1.01","1.063","1.063","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204910","5.775","0.001","7.946","0.001","17.883","0.001","90","","97.15","0.01","90","","814.24","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-heptanoyl-alpha-D-galactopyranoside","","- C14 H26 O7 -","- C14 H26 O7 -","- C28 H52 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0583","0.0436","","0.1247","0.1025","","","","1.033","1.036","1.036","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204911","5.768","0.001","7.903","0.001","20.114","0.001","90","","96.63","0.01","90","","910.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-nonanoyl-alpha-D-galactopyranoside","","- C16 H30 O7 -","- C16 H30 O7 -","- C32 H60 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0701","0.0515","","0.1337","0.1078","","","","1.06","1.085","1.085","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204912","5.778","0.001","7.903","0.001","22.326","0.001","90","","92.83","0.01","90","","1018.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-undecanoyl-alpha-D-galactopyranoside","","- C18 H34 O7 -","- C18 H34 O7 -","- C36 H68 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0783","0.053","","0.1398","0.1092","","","","1.017","1.062","1.062","","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7204913","7.932","0.001","7.101","0.001","10.984","0.001","90","","101.11","0.01","90","","607.08","0.13","293","2","293","2","","","","","","","114.85","3","P 1 21 1","P 2yb","4","","methyl 6-O-propanoyl-beta-D-glucopyranoside","","- C10 H18 O7 -","- C10 H18 O7 -","- C20 H36 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0445","0.0375","","0.0977","0.0932","","","","1.068","1.08","1.08","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204914","7.906","0.001","7.459","0.001","14.218","0.001","90","","102.63","0.01","90","","818.16","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-heptanoyl-beta-D-glucopyranoside","","- C14 H26 O7 -","- C14 H26 O7 -","- C28 H52 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0615","0.045","","0.1226","0.1112","","","","1.026","1.071","1.071","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204915","7.922","0.001","7.45","0.001","15.815","0.001","90","","100.01","0.01","90","","919.18","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-nonanoyl-beta-D-glucopyranoside","","- C16 H30 O7 -","- C15.99 H29.981 O6.998 -","- C31.98 H59.962 O13.996 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0776","0.05","","0.1322","0.1054","","","","1.064","1.111","1.111","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204916","7.923","0.001","7.437","0.001","17.217","0.001","90","","92.626","0.001","90","","1013.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-undecanoyl-beta-D-glucopyranoside","","- C18 H34 O7 -","- C17.988 H33.977 O6.998 -","- C35.976 H67.954 O13.996 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.06","0.0508","","0.1319","0.1259","","","","0.992","1.068","1.068","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204935","11.415","0.0007","10.6973","0.0005","16.935","0.002","90","","102.638","0.009","90","","2017.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C84 H90 N18 O12 -","6","3","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0635","0.0501","","0.1288","0.1186","","","","0.661","0.713","0.713","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204936","8.979","0.001","15.977","0.002","9.41","0.002","90","","96.52","0.01","90","","1341.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","2","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0643","0.0481","","0.1351","0.1101","","","","0.942","1.029","1.029","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204954","9.2994","0.0004","9.751","0.0004","14.3348","0.0006","90","","90.974","0.001","90","","1299.67","0.09","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H27 N4 O21 P5 Zn5 -","- C6 H27 N4 O21 P5 Zn5 -","- C12 H54 N8 O42 P10 Zn10 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0306","0.028","","0.0646","0.0636","","","","1.051","1.068","1.068","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204980","10.158","0.002","9.524","0.002","12.5834","0.0015","90","","97.301","0.012","90","","1207.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E,3S,4S,1'S)-1-Allyl-3-[1-(benzyloxycarbonylamino)-2-methylpropyl]- 4-(2-phenylethenyl)-azetidin-2-one","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C52 H60 N4 O6 -","2","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.0575","0.0437","","0.1285","0.1119","","","","1.074","1.113","1.113","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204981","12.3571","0.0006","9.1315","0.0009","19.0056","0.0008","90","","94.281","0.004","90","","2138.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4R,1'S)-4-Acetoxy-1-benzyl-3-[1-(benzyloxycarbonylamino)ethyl]- azetidin-2-one","","- C22 H24 N2 O5 -","- C22 H24 N2 O5 -","- C88 H96 N8 O20 -","4","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","1.54178","CuKα","","0.0795","0.058","","0.1908","0.1553","","","","1.099","1.127","1.127","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204983","9.2101","0.0005","20.7429","0.001","11.5524","0.0006","90","","90.117","0.005","90","","2207","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4-(2-thienyl)- azetidin-2-one","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","1.54178","CuKα","","0.0944","0.079","","0.2715","0.2244","","","","1.169","1.206","1.206","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204991","9.6451","0.0007","9.5458","0.0007","9.9442","0.0008","90","","99.358","0.002","90","","903.38","0.12","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","","","4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","69","","10.1039/b108059h","","","0.71073","MoKα","","0.0844","0.0515","","","0.0957","0.108","","","","","","0.921","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205038","8.0799","0.0005","13.4532","0.0007","9.692","0.0004","90","","97.948","0.003","90","","1043.41","0.1","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 As N O -","- C27 H20 As N O -","- C54 H40 As2 N2 O2 -","2","1","","Mitsumoto, Yuhki; Nitta, Makoto","Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2268","","10.1039/b205612g","","","0.7107","MoKα","","","0.036","","","","0.103","","","","","","1.527","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205075","11.8981","0.0005","18.8195","0.0007","12.6","0.0005","90","","105.865","0.001","90","","2713.88","0.19","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C72 H70 Cu6 Mo10 N36 O50 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0597","0.0451","","","0.0764","0.0851","","","","","","1.001","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205327","7.8327","0.0016","19.556","0.004","12.624","0.003","90","","97.82","0.03","90","","1915.7","0.7","164","2","164","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cu2 F6 N6 O10 S2 -","- C30 H34 Cu2 F6 N6 O10 S2 -","- C60 H68 Cu4 F12 N12 O20 S4 -","2","1","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","","","0.71073","MoKα","","0.1413","0.0783","","","0.1564","0.1743","","","","","","0.998","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205372","7.6688","0.0003","15.188","0.0006","11.8332","0.0005","90","","101.347","0.0011","90","","1351.32","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-(dimethylamino)styryl)-1-(2,5-dimethylbenzyl)pyridinium 4-methylbenzenesulfonate","","- C31 H34 N2 O3 S -","- C31 H34 N2 O3 S -","- C62 H68 N4 O6 S2 -","2","1","","Kim, Pil-Joo; Jeong, Jae-Hyeok; Jazbinsek, Mojca; Kwon, Seong-Ji; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Baek, In-Hyung; Rotermund, Fabian; Günter, Peter; Kwon, O-Pil","Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state","CrystEngComm","2011","13","2","444","","10.1039/c0ce00456a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0823","0.0969","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205404","7.161","0.002","22.009","0.004","10.675","0.003","90","","102.56","0.03","90","","1642.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Cu2 N4 O15 -","- C28 H36 Cu2 N4 O15 -","- C56 H72 Cu4 N8 O30 -","2","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0646","0.0387","","","0.0844","0.0926","","","","","","0.894","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205440","10.0502","0.0002","5.6882","0.0002","19.3565","0.0004","90","","97.058","0.002","90","","1098.18","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N4 O5 S -","- C22 H17 F3 N4 O5 S -","- C44 H34 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0419","0.038","","","0.0927","0.0954","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205445","19.0132","0.0004","4.519","0.0001","26.8556","0.0004","90","","98.814","0.001","90","","2280.2","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C92 H76 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.091","0.0651","","","0.1546","0.1712","","","","","","1.034","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205451","9.287","0.003","7.0017","0.0019","13.168","0.004","90","","91.941","0.004","90","","855.8","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0354","0.0292","","","0.0772","0.0974","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205452","9.291","0.005","7.006","0.003","13.182","0.006","90","","91.935","0.007","90","","857.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0425","0.0336","","","0.0854","0.1136","","","","","","0.962","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205478","10.214","0.0009","10.5245","0.0009","11.245","0.001","90","","97.857","0.001","90","","1197.46","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Co N4 O9 -","- C24 H26 Co N4 O9 -","- C48 H52 Co2 N8 O18 -","2","1","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0399","0.0394","","","0.1061","0.1066","","","","","","1.178","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205482","6.0278","0.0003","12.0022","0.0006","9.2687","0.0004","90","","97.549","0.004","90","","664.75","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 Ni O6 -","- C10 H14 N2 Ni O6 -","- C20 H28 N4 Ni2 O12 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54184","CuKα","","0.0428","0.0388","","","0.1009","0.1039","","","","","","1.104","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205518","15.7432","0.0003","22.136","0.0004","15.9373","0.0003","90","","90.294","0.001","90","","5553.94","0.18","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H82 O9 -","- C62 H82 O9 -","- C248 H328 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0672","0.0551","","","0.1531","0.1723","","","","","","1.051","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205519","15.6344","0.0006","22.1572","0.0007","15.8763","0.0005","90","","91.049","0.002","90","","5498.9","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H84 O9 -","- C62 H84 O9 -","- C248 H336 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0861","0.0524","","","0.15","0.1668","","","","","","1.015","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205520","15.6509","0.0004","25.0523","0.0006","15.9443","0.0004","90","","90.258","0.001","90","","6251.6","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H98 O9 -","- C70 H98 O9 -","- C280 H392 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0758","0.0433","","","0.1126","0.1485","","","","","","1.04","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205521","15.6292","0.0003","23.7075","0.0005","16.6136","0.0004","90","","92.02","0.001","90","","6152","0.2","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H94 O9 -","- C70 H94 O9 -","- C280 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1199","0.0862","","","0.2346","0.2824","","","","","","1.043","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205522","15.9123","0.0011","24.6729","0.0016","16.1465","0.001","90","","90.295","0.004","90","","6339.1","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C74 H94 O9 -","- C74 H94 O9 -","- C296 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1068","0.0713","","","0.2116","0.2327","","","","","","1.091","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205534","7.7354","0.0011","5.7181","0.0008","13.3641","0.0018","90","","93.737","0.002","90","","589.86","0.14","102","2","102","2","","","","","","","","3","P 1 21 1","P 2yb","4","Naproxen","Naproxen","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","King, Matthew D.; Buchanan, William D.; Korter, Timothy M.","Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals.","Physical chemistry chemical physics : PCCP","2011","13","10","4250","4259","10.1039/c0cp01595d","","","0.71073","MoKα","","0.0367","0.0343","","","0.0941","0.0976","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205591","9.3699","0.0014","32.679","0.005","10.0882","0.0015","90","","93.835","0.004","90","","3082.1","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate","","- C36 H39 N O5 -","- C36 H39 N O5 -","- C144 H156 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0603","0.0398","","","0.0785","0.0851","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205592","9.3986","0.001","33.587","0.004","10.0932","0.001","90","","94.981","0.002","90","","3174.1","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMA solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0813","0.0469","","","0.0924","0.104","","","","","","1.133","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205612","8.7005","0.0019","5.9331","0.0013","10.929","0.002","90","","94.65","0.004","90","","562.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0481","0.0419","","","0.0951","0.0982","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205655","10.8413","0.0004","10.7317","0.0003","12.404","0.0004","90","","112.033","0.004","90","","1337.75","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 N4 O12 -","- C32 H16 N4 O12 -","- C64 H32 N8 O24 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","1.54184","CuKα","","0.0622","0.0388","","","0.0924","0.104","","","","","","0.833","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205667","9.41","0.001","13.033","0.001","15.183","0.002","90","","103.112","0.009","90","","1813.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43 N3 O8 S -","- C41 H43 N3 O8 S -","- C82 H86 N6 O16 S2 -","2","1","","Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia","Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution","CrystEngComm","2011","13","7","2310","","10.1039/c0ce00595a","","","0.71073","MoKα","","0.0671","0.041","","","0.0763","0.0834","","","","","","0.84","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205685","6.9147","0.0005","36.1972","0.0011","9.4766","0.0008","90","","92.126","0.003","90","","2370.3","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","2","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach","CrystEngComm","2011","13","9","3213","","10.1039/c0ce00657b","","","0.71073","MoKα","","0.0749","0.0748","","0.0816","0.0806","0.0806","","","","","","0.94","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205766","6.273","0.0005","27.265","0.002","10.4419","0.0008","90","","90.432","0.002","90","","1785.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclododecylammonium).(benzoate)","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0642","0.0559","","","0.1338","0.1384","","","","","","1.011","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205807","14.7258","0.0007","20.1708","0.0008","20.1033","0.0007","90","","104.689","0.001","90","","5776.1","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H114 N16 O27 S6 -","- C120 H114 N16 O27 S6 -","- C240 H228 N32 O54 S12 -","2","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1144","0.0588","","","0.1041","0.1235","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205855","14.0543","0.0003","6.1624","0.0002","15.0156","0.0005","90","","111.797","0.001","90","","1207.5","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","2","magnesium naproxen monohydrate","","- C28 H28 Mg O7 -","- C28 H28 Mg O7 -","- C56 H56 Mg2 O14 -","2","1","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","","","0.71073","MoKα","","0.0593","0.0438","","","0.0838","0.0914","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205871","15.993","0.002","5.3401","0.0007","18.709","0.002","90","","101.289","0.002","90","","1566.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 Er N8 O8 -","- C32 H20 Br Cu2 Er N8 O8 -","- C64 H40 Br2 Cu4 Er2 N16 O16 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0342","0.0295","","","0.0634","0.0655","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205872","16.1117","0.0014","5.3028","0.0005","18.7099","0.0017","90","","101.111","0.001","90","","1568.6","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 N8 O8 Yb -","- C32 H20 Br Cu2 N8 O8 Yb -","- C64 H40 Br2 Cu4 N16 O16 Yb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0335","0.0307","","","0.0679","0.0692","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205895","7.0688","0.0011","7.4648","0.0012","21.049","0.004","90","","96.734","0.004","90","","1103","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 Ni O7 -","- C23 H26 N2 Ni O7 -","- C46 H52 N4 Ni2 O14 -","2","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0558","0.0472","","","0.0992","0.1039","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205896","6.9571","0.0005","7.5601","0.0005","41.523","0.003","90","","93.349","0.001","90","","2180.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N Ni O8.5 -","- C21 H26 N Ni O8.5 -","- C84 H104 N4 Ni4 O34 -","4","2","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0452","0.0422","","","0.0958","0.0971","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205913","7.591","0.006","10.23","0.008","8.184","0.006","90","","92.799","0.011","90","","634.8","0.8","298","11","298","11","","","","","","","","4","P 1 21 1","P 2yb","4","Cu(ii)malate enantiomer D","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","1","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0243","0.024","","","0.0659","0.0661","","","","","","1.054","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205914","7.584","0.004","10.214","0.005","8.169","0.004","90","","92.778","0.007","90","","632.1","0.6","298","11","298","11","","","","","","","","4","P 1 21 1","P 2yb","4","Cu(ii)malate enantiomer L","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","1","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0245","0.0241","","","0.0663","0.0666","","","","","","1.024","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206056","5.9075","0.001","7.3979","0.0013","28.899","0.003","90","","90.592","0.001","90","","1262.9","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H48 Br N O2 -","- C22 H48 Br N O2 -","- C44 H96 Br2 N2 O4 -","2","1","","Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie","Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group","Journal of Materials Chemistry","2011","21","19","6875","","10.1039/c1jm10236b","","","0.71073","MoKα","","0.1723","0.0692","","","0.1202","0.1386","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206057","5.6382","0.0006","7.2724","0.0007","26.007","0.002","90","","93.778","0.002","90","","1064.05","0.17","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H42 Br N -","- C19 H42 Br N -","- C38 H84 Br2 N2 -","2","1","","Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie","Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group","Journal of Materials Chemistry","2011","21","19","6875","","10.1039/c1jm10236b","","","0.71073","MoKα","","0.1109","0.0903","","","0.2336","0.26","","","","","","1.003","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206079","5.977","0.002","17.481","0.006","14.845","0.005","90","","93.708","0.006","90","","1547.8","0.9","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1369","0.0668","","","0.1467","0.1957","","","","","","0.85","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206208","9.3455","0.0007","6.7383","0.0004","14.6868","0.0012","90","","101.529","0.004","90","","906.21","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0494","","","","0.122","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206209","11.3857","0.0009","6.7698","0.0003","12.7237","0.0009","90","","103.73","0.003","90","","952.7","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0403","","","","0.0991","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206378","9.2326","0.0004","14.0836","0.0004","9.4162","0.0004","90","","105.661","0.004","90","","1178.92","0.08","294","2","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","NomM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1375","0.0292","","","0.0362","0.0446","","","","","","0.667","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206392","6.5447","0.0002","7.4781","0.0003","8.7578","0.0003","90","","93.8955","0.0014","90","","427.63","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H8 Er N O8 -","- C4 H8 Er N O8 -","- C8 H16 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0532","0.0541","","","","","","0.997","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206393","6.6118","0.0001","7.5662","0.0002","9.2756","0.0002","90","","99.8267","0.0012","90","","457.215","0.017","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H10 Er N O8 -","- C5 H10 Er N O8 -","- C10 H20 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0232","0.0214","","","0.0488","0.0492","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206397","6.6349","0.0002","8.6371","0.0003","9.6727","0.0003","90","","102.101","0.002","90","","541.99","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O8 -","- C6 H12 Er N O8 -","- C12 H24 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0339","0.0252","","","0.0443","0.0455","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206398","6.6243","0.0002","8.6345","0.0003","9.7545","0.0002","90","","102.599","0.0014","90","","544.5","0.03","293","2","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O9 -","- C6 H12 Er N O9 -","- C12 H24 Er2 N2 O18 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.025","0.0204","","","0.0387","0.0395","","","","","","0.994","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206471","11.264","0.004","6.189","0.002","17.301","0.006","90","","102.785","0.007","90","","1176.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Br N O -","- C27 H34 Br N O -","- C54 H68 Br2 N2 O2 -","2","1","","Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei","Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases","Journal of Materials Chemistry","2011","21","38","14599","","10.1039/c0jm03461d","","","0.71073","MoKα","","0.0875","0.0526","","","0.1142","0.1191","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206472","11.158","0.0017","6.2046","0.001","17.347","0.003","90","","101.49","0.003","90","","1176.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C54 H68 N4 O6 -","2","1","","Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei","Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases","Journal of Materials Chemistry","2011","21","38","14599","","10.1039/c0jm03461d","","","0.71073","MoKα","","0.1393","0.047","","","0.0867","0.0986","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206476","12.5384","0.0001","24.4794","0.0004","14.7686","0.0002","90","","110.433","0.0015","90","","4247.76","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H132 Cu6 I9 N3 -","- C60 H132 Cu6 I9 N3 -","- C120 H264 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0324","0.0324","","","0.0641","0.0649","","","","0.74","0.74","0.74","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206523","7.2182","0.0002","19.7365","0.0004","11.3467","0.0003","90","","90.404","0.001","90","","1616.43","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21 1","P 2yb","4","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C48 H76 B40 N4 O4 -","4","2","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0619","0.054","","","0.1172","0.1231","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206615","8.324","0.0008","6.4377","0.0004","11.3504","0.0008","90","","101.988","0.009","90","","594.97","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 Zn -","- C11 H11 N O5 Zn -","- C22 H22 N2 O10 Zn2 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0724","0.0475","","","0.0969","0.1018","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206673","11.7271","0.0002","11.7707","0.0002","18.2633","0.0004","90","","98.704","0.001","90","","2491.96","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","catena-((mu4-phenyl-1,2,4,5-tetracarboxylate) -bis(mu2-1,3,5- triaza-7-phosphaadamantane) -bis(mu3-1,3,5-triaza-7-phosphaadamantane) - tetrasilver(i)-octahydrate)","catena-((μ4-phenyl-1,2,4,5-tetracarboxylate) -bis(μ2-1,3,5-triaza-7-phosphaadamantane) -bis(μ3-1,3,5-triaza-7-phosphaadamantane) -tetrasilver(I)-octahydrate)","","- C34 H50 Ag4 N12 O8 P4 -","- C34 H50 Ag4 N12 O8 P4 -","- C68 H100 Ag8 N24 O16 P8 -","2","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71069","MoKα","","0.0457","0.0376","","","0.1035","0.1085","","","","","","0.999","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206735","8.308","0.0005","5.4673","0.0004","12.057","0.0013","90","","97.814","0.011","90","","542.57","0.08","295","2","295","2","","","100","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1776","0.1021","","","0.2432","0.287","","","","","","1.07","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206736","8.1397","0.0014","5.2541","0.0009","11.853","0.004","90","","98.2","0.03","90","","501.7","0.2","295","2","295","2","","","600000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.203","0.1185","","","0.2773","0.3446","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206737","8.953","0.0018","3.865","0.0008","13.081","0.003","90","","90.47","0.03","90","","452.63","0.17","295","2","295","2","","","1000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1197","0.0745","","","0.1431","0.1658","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206738","9.047","0.0005","3.6626","0.0002","12.7481","0.0015","90","","92.304","0.01","90","","422.07","0.06","295","2","295","2","","","2000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1058","0.062","","","0.1389","0.1595","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206739","9.0625","0.0006","3.5605","0.0002","12.5539","0.0017","90","","92.541","0.011","90","","404.68","0.07","295","2","295","2","","","3500000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1081","0.0618","","","0.1343","0.1613","","","","","","1.08","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206740","9.0721","0.0017","3.4383","0.0006","12.285","0.005","90","","92.72","0.03","90","","382.77","0.18","295","2","295","2","","","6200000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.0729","0.0494","","","0.1133","0.1258","","","","","","1.078","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206784","11.7534","0.0016","5.5051","0.0008","12.7118","0.0018","90","","103.726","0.001","90","","799","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 S3 -","- C20 H12 S3 -","- C40 H24 S6 -","2","1","","Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua","Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors","Journal of Materials Chemistry","2011","21","44","17612","","10.1039/c1jm14383b","","","0.71073","MoKα","","0.0238","0.0224","","","0.0619","0.0633","","","","","","1.019","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206785","7.5473","0.0019","5.8673","0.0015","21.88","0.006","90","","95.38","0.004","90","","964.6","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 S3 -","- C24 H16 S3 -","- C48 H32 S6 -","2","1","","Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua","Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors","Journal of Materials Chemistry","2011","21","44","17612","","10.1039/c1jm14383b","","","0.71073","MoKα","","0.0479","0.0445","","","0.1133","0.1156","","","","","","1.05","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206828","5.4867","0.0002","42.1629","0.0016","9.0036","0.0003","90","","90.131","0.004","90","","2082.84","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0682","0.0648","","","0.1597","0.1614","","","","","","1.109","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206829","5.22808","0.00005","9.49693","0.00009","16.70757","0.00016","90","","95.6549","0.0009","90","","825.506","0.014","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N4 O2 -","- C16 H26 N4 O2 -","- C32 H52 N8 O4 -","2","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0286","0.0271","","","0.0705","0.0717","","","","","","1.047","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206942","13.0132","0.0008","4.8558","0.0003","16.371","0.001","90","","109.235","0.003","90","","976.73","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0288","0.0263","","","0.0683","0.0795","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206945","12.513","0.001","4.9317","0.0005","16.282","0.001","90","","97.159","0.006","90","","996.94","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1314","0.047","","","0.0842","0.1076","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207004","8.9695","0.0005","15.7723","0.0009","12.5159","0.0007","90","","98.588","0.001","90","","1750.77","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 Cu N8 O11 -","- C26.723 H42.892 Cl2 Cu N8 O10.723 -","- C53.446 H85.784 Cl4 Cu2 N16 O21.446 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.046","0.0419","","","0.106","0.1198","","","","","","1.093","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207005","8.9908","0.0013","15.88","0.002","12.7955","0.0018","90","","100.11","0.003","90","","1798.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 Cu N8 O11 -","- C28 H46 Cl2 Cu N8 O11 -","- C56 H92 Cl4 Cu2 N16 O22 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0506","0.047","","","0.1128","0.1158","","","","","","1.041","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207021","11.5358","0.0008","8.9425","0.0006","12.825","0.0009","90","","101.533","0.001","90","","1296.3","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cd N5 O10 -","- C24 H22 Cd N5 O10 -","- C48 H44 Cd2 N10 O20 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.0187","0.0183","","","0.0531","0.0536","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207094","10.988","0.002","14.253","0.003","11.358","0.002","90","","108.93","0.03","90","","1682.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0593","0.043","","","0.0919","0.1102","","","","","","1.006","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207097","10.991","0.002","14.254","0.003","11.361","0.002","90","","108.93","0.03","90","","1683.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn -","- C72 H68 N4 O16 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0632","0.0463","","","0.1043","0.1225","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207193","9.621","0.007","15.234","0.011","13.948","0.01","90","","93.849","0.014","90","","2040","3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 S2 -","- C20 H24 N2 O5 S2 -","- C80 H96 N8 O20 S8 -","4","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0713","0.0637","","","0.1321","0.1368","","","","","","1.091","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207221","9.607","0.002","5.9725","0.0014","13.838","0.004","90","","110.434","0.003","90","","744","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0479","0.0463","","","0.1182","0.1198","","","","","","1.046","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7207251","15.262","0.003","13.046","0.003","13.058","0.003","90","","102.54","0.03","90","","2537.9","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cu N10 O5 -","- C22 H26 Cu N10 O5 -","- C88 H104 Cu4 N40 O20 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Huang, Yun-Chieh; Lu, Kuang-Lieh","Hydrogen bond-organized two-fold interpenetrating homochiral pcu net","CrystEngComm","2012","14","4","1189","","10.1039/c2ce06055h","","","0.71073","MoKα","","0.0739","0.0456","","","0.0931","0.112","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207262","10.6142","0.0002","5.8945","0.0001","11.1109","0.0002","90","","90.093","0.002","90","","695.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0371","0.033","","","0.0832","0.0843","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207318","7.521","0.012","17.21","0.03","19.15","0.03","90","","95.26","0.02","90","","2468","7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H64 Co2 N12 O16 -","- C44 H58 Co2 N12 O16 -","- C88 H116 Co4 N24 O32 -","2","1","","Yang, Peng; He, Xiang; Li, Ming-Xing; Ye, Qiong; Ge, Jia-Zhen; Wang, Zhao-Xi; Zhu, Shou-Rong; Shao, Min; Cai, Hong-Ling","The first homochiral coordination polymer with temperature-independent piezoelectric and dielectric properties","Journal of Materials Chemistry","2012","22","6","2398","","10.1039/c2jm14961c","","","0.71073","MoKα","","0.1661","0.0738","","","0.1243","0.1502","","","","","","1.035","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207337","7.6366","0.0007","15.5557","0.0014","15.0141","0.0014","90","","90.395","0.001","90","","1783.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1182","0.0989","","","0.2711","0.2891","","","","","","1.054","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207348","10.0853","0.0005","15.7875","0.0008","10.31","0.0005","90","","104.334","0.002","90","","1590.47","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 I4 O4 Tl4 -","- C24 H16 I4 O4 Tl4 -","- C48 H32 I8 O8 Tl8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0297","0.0269","","","0.0573","0.0582","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207441","13.597","0.004","14.351","0.004","17.818","0.005","90","","91.466","0.005","90","","3475.7","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4(6),5-O-PENTA ACETYL 6(4)-O-CAMPHORSULFONYL MYO-INOSITOL","","- C28.25 H40.5 O14.75 S -","- C28.25 H40.5 O14.755 S -","- C113 H162 O59.02 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1702","0.1845","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207442","13.857","0.003","14.298","0.003","17.717","0.004","90","","90.651","0.004","90","","3510","1.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26.75 H36.75 Cl2.5 O14 S -","- C26.75 H36.75 Cl2.25 O14 S -","- C107 H147 Cl9 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0804","0.064","","","0.1726","0.1894","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207443","13.39","0.02","14.35","0.03","17.54","0.03","90","","91.55","0.02","90","","3369","10","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H40 Cl2 O14 S -","- C28 H40 Cl2.005 O14 S -","- C112 H160 Cl8.02 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0684","0.0519","","","0.1233","0.1301","","","","","","0.982","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207444","13.463","0.002","14.451","0.003","17.848","0.003","90","","91.363","0.003","90","","3471.4","1.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H38 Cl2 O14 S -","- C27 H38 Cl2 O14 S -","- C108 H152 Cl8 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0966","0.0785","","","0.2091","0.2286","","","","","","1.022","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207465","5.1625","0.0003","9.7839","0.0006","14.709","0.0013","90","","90.773","0.006","90","","742.87","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Cu O6 P -","- C14 H11 Cu O6 P -","- C28 H22 Cu2 O12 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0442","0.0394","","","0.0676","0.0709","","","","","","0.993","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207515","5.9241","0.0001","9.4808","0.0002","18.5568","0.0004","90","","91.192","0.002","90","","1042.02","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","doxycycline monohydrate","6-Deoxy-5-oxytetracycline monohydrate","","- C22 H26 N2 O9 -","- C22 H26 N2 O9 -","- C44 H52 N4 O18 -","2","1","","Legendre, Alexandre O.; Silva, Laila R. R.; Silva, Douglas M.; Rosa, Iara M. L.; Azarias, Lilian C.; de Abreu, Polyana J.; de Araújo, Magali B.; Neves, Person P.; Torres, Claudia; Martins, Felipe T.; Doriguetto, Antonio C.","Solid state chemistry of the antibiotic doxycycline: structure of the neutral monohydrate and insights into its poor water solubility","CrystEngComm","2012","14","7","2532","","10.1039/c1ce06181j","","","0.71073","MoKα","","0.0413","0.0369","","","0.0918","0.0945","","","","","","1.051","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207531","5.3101","0.0007","15.741","0.001","8.506","0.0001","90","","105.2","0.01","90","","686.11","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diacetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C12 H7 Cu N6 O2 -","- C12 H7 Cu N6 O2 -","- C24 H14 Cu2 N12 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0338","0.0305","","","0.0836","0.0854","","","","","","1.066","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207547","5.706","0.0002","11.967","0.0005","8.3401","0.0004","90","","104.273","0.002","90","","551.91","0.04","298","2","298","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0438","0.0365","","","0.0896","0.0943","","","","","","1.03","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207548","5.2927","0.0002","17.2524","0.0012","6.8518","0.0004","90","","98.865","0.003","90","","618.18","0.06","298","1","298","1","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0528","0.0364","","","0.0754","0.0823","","","","","","1.039","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207549","5.652","0.0003","11.924","0.0006","8.322","0.0006","90","","104.76","0.003","90","","542.35","0.06","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0667","0.0497","","","0.114","0.1239","","","","","","0.994","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207550","5.2554","0.0001","17.1944","0.0006","6.821","0.0002","90","","98.774","0.002","90","","609.16","0.03","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0529","0.05","","","0.1137","0.1166","","","","","","1.058","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207551","9.5767","0.0012","12.7646","0.0017","13.9388","0.0018","90","","90.758","0.002","90","","1703.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Antipyrine)(4-Aminobenzoic acid)","Antipyrine 4-Aminobenzoic acid (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","2","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0731","0.0482","","","0.1071","0.1191","","","","","","1.016","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207593","6.80704","0.00007","20.73858","0.00018","6.449","0.00006","90","","76.4302","0.0005","90","","884.981","0.015","298","2","298","","","","","","","","","3","P 1 21 1","P 2yb","4","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3- one","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3-one","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Gomez, Ariel; Antonio, Selma Gutierrez; Barros de Araujo, Gabriel Lima; Ferreira, Fabio Furlan; Paiva-Santos, Carlos Oliveira","Crystal structure of isotibolone: a major degradation product of tibolone","CrystEngComm","2012","14","8","2826","","10.1039/c2ce06504e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.845","","","","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207635","9.4455","0.0003","7.8767","0.0002","17.2532","0.0005","90","","98.352","0.002","90","","1270.01","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil methylparaben","","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0864","0.0888","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207636","9.3357","0.0002","8.3056","0.0002","17.3542","0.0005","90","","90.854","0.002","90","","1345.47","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil propylparaben","","","- C32 H31 N3 O7 -","- C32 H31 N3 O7 -","- C64 H62 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0478","0.041","","","0.0963","0.1002","","","","","","1.035","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207637","9.5476","0.0012","8.1881","0.001","16.673","0.002","90","","96.305","0.009","90","","1295.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil hydrocinnamic acid","","","- C31 H29 N3 O6 -","- C31 H29 N3 O6 -","- C62 H58 N6 O12 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0514","0.042","","","0.0957","0.1007","","","","","","0.98","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207677","7.4253","0.0004","18.6837","0.0011","7.9579","0.0005","90","","96.325","0.006","90","","1097.3","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 B F2 N5 -","- C23 H26 B F2 N5 -","- C46 H52 B2 F4 N10 -","2","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad.","Physical chemistry chemical physics : PCCP","2012","14","13","4447","4456","10.1039/c2cp23868c","","","0.71073","MoKα","","0.0896","0.0455","","","0.0973","0.1053","","","","","","0.873","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207815","7.1106","0.0014","18.31","0.004","12.36","0.003","90","","100.11","0.03","90","","1584.2","0.6","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 N4 O13 S Zn -","- C27 H36 N4 O13 S Zn -","- C54 H72 N8 O26 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1156","0.0534","","","0.1212","0.19","","","","","","1.048","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207921","6.5672","0.0004","8.5035","0.0006","9.6637","0.0006","90","","101.351","0.004","90","","529.11","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba3 F2 O11 -","- B6 Ba3 F2 O11 -","- B12 Ba6 F4 O22 -","2","1","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Su, Xin; Zhang, Fangfang","A novel deep UV nonlinear optical crystal Ba3B6O11F2, with a new fundamental building block, B6O14 group","Journal of Materials Chemistry","2012","22","19","9665","","10.1039/c2jm16058g","","","0.71073","MoKα","","0.0263","0.0259","","","0.0632","0.0637","","","","","","1.056","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208004","8.8921","0.0012","5.775","0.0008","26.92","0.004","90","","95.899","0.003","90","","1375.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium hydrogen bis(naproxate) methanol solvate","","","- C30 H35 Na O8 -","- C30 H35 Na O8 -","- C60 H70 Na2 O16 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0497","0.0374","","","0.0903","0.0957","","","","","","1.037","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208005","8.5777","0.0012","5.8968","0.0008","16.506","0.002","90","","92.35","0.002","90","","834.19","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Naproxen sodium mono salt DMF solvate","","","- C17 H20 N Na O4 -","- C17 H20 N Na O4 -","- C34 H40 N2 Na2 O8 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0354","0.0315","","","0.0813","0.0837","","","","","","1.05","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208049","8.3238","0.0005","20.5408","0.0011","9.6118","0.0005","90","","102.496","0.005","90","","1604.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H35 Cu3 La O34 -","- C9 Cu3 La O34 -","- C18 Cu6 La2 O68 -","2","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","MoKα","","0.0621","0.0454","","","0.0946","0.1014","","","","","","1.088","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208094","7.0066","0.0006","6.2397","0.0005","19.8205","0.0017","90","","96.494","0.002","90","","860.97","0.13","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0473","0.0431","","","0.0994","0.1021","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208095","7.0662","0.0008","6.1893","0.0007","29.342","0.004","90","","90.006","0.002","90","","1283.3","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C60 H64 N4 O8 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0564","0.0535","","","0.125","0.127","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208096","7.357","0.002","6.1288","0.0017","20.081","0.006","90","","91.129","0.005","90","","905.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71075","MoKα","","0.0333","0.0328","","","0.0869","0.0874","","","","","","0.971","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208120","9.254","0.0019","10.25","0.002","11.625","0.002","90","","104.4","0.003","90","","1068","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Ag Cl N4 O5 -","- C18 H26 Ag Cl N4 O5 -","- C36 H52 Ag2 Cl2 N8 O10 -","2","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.0762","0.0738","","","0.1717","0.1729","","","","","","1.087","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208140","12.4152","0.0005","24.9244","0.0012","16.7445","0.0005","90","","91.503","0.011","90","","5179.7","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H144 Ir2 N6 O2 -","- C122 H144 Ir2 N6 O2 -","- C244 H288 Ir4 N12 O4 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","","0.71073","MoKα","","0.0954","0.051","","","0.1093","0.1337","","","","","","0.664","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208141","12.5082","0.0007","24.97","0.0013","16.8684","0.001","90","","91.23","0.03","90","","5267.3","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C122 H140 F4 Ir2 N6 O2 -","- C122 H138 F4 Ir2 N6 O2 -","- C244 H276 F8 Ir4 N12 O4 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","","0.71073","MoKα","","0.0429","0.0339","","","0.0729","0.0767","","","","","","1.051","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208172","3.7849","0.0001","7.6754","0.0003","18.1962","0.0006","90","","94.825","0.002","90","","526.74","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((4-(hydrazinylcarbonyl)pyridinium)?(but-2-yn-1-olate)","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C20 H22 N6 O6 -","2","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.0335","0.0316","","","0.0904","0.093","","","","","","0.964","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208238","15.74","0.0004","15.1252","0.0004","10.9849","0.0003","90","","94.104","0.001","90","","2608.48","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","2-((1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'- dimethyl -16'-oxo-5',7'-dioxaspiro(cyclopentane-1,6'-pentacyclo (10.8.0.02,9.04,8.013,18)icosane)-14',17'-dien-8'-yl)-2-oxoethyl acetate","2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl -16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo [10.8.0.02,9.04,8.013,18]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Pagola, Silvina; Stephens, Peter W.","Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide","CrystEngComm","2012","14","16","5349","","10.1039/c2ce25274k","powder diffraction","","0.69733","synchrotron","","","","","","","","","0.0611","1.46","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208316","11.6891","0.0008","14.1824","0.0013","12.0379","0.0008","90","","92.574","0.006","90","","1993.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Cu2 F2 N4 O10 -","- C42 H38 Cu2 F2 N4 O10 -","- C84 H76 Cu4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.1007","0.076","","","0.1962","0.2188","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208317","11.6305","0.0017","14.158","0.002","12.0363","0.0017","90","","94.73","0.003","90","","1975.2","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 F2 N4 Ni2 O10 -","- C42 H38 F2 N4 Ni2 O10 -","- C84 H76 F4 N8 Ni4 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0527","0.0433","","","0.1072","0.1128","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208318","11.553","0.0017","14.24","0.002","12.0157","0.0018","90","","95.639","0.003","90","","1967.2","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Co2 F2 N4 O10 -","- C42 H38 Co2 F2 N4 O10 -","- C84 H76 Co4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0829","0.0595","","","0.1036","0.115","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208405","8.922","0.004","13.157","0.006","13.644","0.006","90","","92.214","0.008","90","","1600.4","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Mo2 N4 O17 -","- C22 H40 Mo2 N4 O17 -","- C44 H80 Mo4 N8 O34 -","2","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0307","0.0301","","","0.0804","0.0812","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208519","7.7749","0.0005","9.8014","0.0007","9.2097","0.0006","90","","101.56","0.003","90","","687.59","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D5 2-aminopyrazine, HOOC-(CH2)6-COOH","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0716","0.051","","","0.1419","0.1544","","","","","","1.099","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208649","9.6544","0.0019","20.825","0.004","10.138","0.002","90","","117.47","0.03","90","","1808.5","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O5 -","- C19 H17 Co N3 O5 -","- C76 H68 Co4 N12 O20 -","4","2","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.1267","0.0715","","","0.132","0.1519","","","","","","1.013","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208681","6.037","0.002","11.169","0.004","16.091","0.006","90","","95.612","0.004","90","","1079.8","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O7 -","- C20 H29 N3 O7 -","- C40 H58 N6 O14 -","2","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1451","","","","","","1.108","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208695","11.6416","0.0011","32.87","0.003","12.0455","0.001","90","","90.578","0.006","90","","4609.1","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H100 Ce2 O64 S8 U -","- C56 H40 Ce2 O64 S8 U -","- C112 H80 Ce4 O128 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0899","0.0756","","","0.1803","0.1886","","","","","","1.029","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208744","8.41","0.0008","9.2205","0.001","15.1951","0.0017","90","","93.107","0.005","90","","1176.6","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 Cu N2 O9 S2 -","- C18 H24 Cl2 Cu N2 O9 S2 -","- C36 H48 Cl4 Cu2 N4 O18 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0533","0.052","","","0.1456","0.147","","","","","","1.03","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208752","10.343","0.0011","10.4839","0.0011","11.3463","0.0012","90","","91.229","0.003","90","","1230.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0534","0.0468","","","0.1211","0.126","","","","","","1.027","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208789","7.6843","0.0005","5.5794","0.0004","9.4459","0.0007","90","","100.949","0.004","90","","397.61","0.05","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-H-Tetrazole, 1-(Phenylmethyl)","1-H-Tetrazole, 1-(Phenylmethyl)","","- C8 H8 N4 -","- C8 H8 N4 -","- C16 H16 N8 -","2","1","","Spencer, John; Patel, Hiren; Deadman, John J.; Palmer, Rex A.; Male, Louise; Coles, Simon J.; Uzoh, Ogaga G.; Price, Sarah L.","The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole","CrystEngComm","2012","14","20","6441","","10.1039/c2ce25940k","","","0.71073","MoKα","","0.0694","0.0447","","","0.0786","0.087","","","","","","1.081","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208804","10.152","0.003","17.953","0.006","18.062","0.006","90","","94.62","0.01","90","","3281.3","1.8","115","2","388","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H57 Co4 N4 O36 -","- C48 H57 Co4 N4 O35.5 -","- C48 H57 Co4 N4 O35.5 -","1","0.5","","Zou, Yang; Yu, Chaoyong; Li, Yuanyuan; Lah, Myoung Soo","A 3-dimensional coordination polymer with a rare lonsdaleite topology constructed from a tetrahedral ligand","CrystEngComm","2012","14","21","7174","","10.1039/c2ce26109j","","","0.71073","MoKα","","0.1503","0.102","","","0.2662","0.2951","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208847","7.2406","0.0014","6.3111","0.0011","16.211","0.003","90","","98.719","0.007","90","","732.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 I N4 O2 -","- C13 H7 F4 I N4 O2 -","- C26 H14 F8 I2 N8 O4 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0265","0.0261","","","0.0618","0.0621","","","","","","1.051","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208965","10.282","0.0005","14.1275","0.0006","11.8374","0.0005","90","","96.725","0.002","90","","1707.66","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","2","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.169","0.0681","","","0.0893","0.1143","","","","","","1.005","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208966","10.3597","0.0005","13.9938","0.0007","11.8314","0.0006","90","","97.721","0.003","90","","1699.67","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O12 S2 -","- C36 H34 N2 O12 S2 -","- C72 H68 N4 O24 S4 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0773","0.0542","","","0.1225","0.1364","","","","","","1.047","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7209015","5.9118","0.0012","13.36","0.003","10.963","0.002","90","","105.11","0.03","90","","835.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-m-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C32 H28 N8 S8 -","4","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0371","0.0362","","","0.0935","0.0945","","","","","","1.048","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209017","7.7097","0.0011","19.332","0.002","9.3678","0.0012","90","","93.144","0.009","90","","1394.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","2","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0582","0.0359","","","0.0767","0.0864","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209020","9.6636","0.0024","23.3522","0.0052","11.4105","0.0027","90","","114.896","0.0147","90","","2335.7","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O -","- C11 H15 Br O -","- C88 H120 Br8 O8 -","8","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0931","0.0435","","","0.0813","0.0937","","","","","","0.936","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209024","4.0517","0.0004","13.9045","0.0014","10.2601","0.0011","90","","94.72","0.004","90","","576.06","0.1","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C22 H26 N6 O6 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0396","0.0363","","","0.0957","0.0995","","","","","","1.072","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209061","13.292","0.003","15.146","0.003","19.946","0.004","90","","102.23","0.03","90","","3924.4","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H55 B N10 Ni2 O47 W12 -","- C50 H40 B N10 Ni2 O47 W12 -","- C100 H80 B2 N20 Ni4 O94 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0993","0.0646","","","0.127","0.1468","","","","","","1.067","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209062","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Cl2 N10 Ni2 O43 Si W12 -","- C50 H40 Cl2 N10 Ni2 O43 Si W12 -","- C100 H80 Cl4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.119","0.0698","","","0.1645","0.2042","","","","","","1.034","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209063","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Br2 N10 Ni2 O43 Si W12 -","- C50 H40 Br2 N10 Ni2 O43 Si W12 -","- C100 H80 Br4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1266","0.0772","","","0.1844","0.2161","","","","","","1.049","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209087","11.858","0.003","4.8452","0.0009","16.785","0.003","90","","102.47","0.02","90","","941.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C42 H36 Cl2 N2 O12 -","2","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","","","0.71073","MoKα","","0.1903","0.0882","","","0.1219","0.1598","","","","","","0.998","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209118","7.8586","0.0005","8.0818","0.0005","7.8918","0.0005","90","","116.29","0.004","90","","449.38","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0308","0.023","","","0.0453","0.0459","","","","","","0.864","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209154","11.0361","0.0011","7.7101","0.0007","17.9654","0.0018","90","","105.75","0.002","90","","1471.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","propylammonium deoxycholate acetone clathrate","propylammonium deoxycholate acetone clathrate","","- C30 H55 N O5 -","- C30 H55 N O5 -","- C60 H110 N2 O10 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0554","0.0408","","","0.095","0.1023","","","","","","1.022","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209156","14.043","0.003","7.8258","0.0016","14.055","0.003","90","","100.94","0.03","90","","1516.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","di-n-butylammonium deoxycholate","di-n-butylammonium deoxycholate","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0633","0.0413","","","0.0941","0.1028","","","","","","1.03","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209158","10.1547","0.0011","7.5678","0.0008","17.645","0.002","90","","90.915","0.003","90","","1355.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-butylammonium deoxycholate","(S)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C56 H102 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0492","0.0403","","","0.0986","0.1046","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209159","11.501","0.002","7.7042","0.0015","17.175","0.003","90","","106.19","0.03","90","","1461.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-3-methyl-2-butylammonium deoxycholate","(R)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0869","0.0494","","","0.1192","0.138","","","","","","1.006","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209160","11.026","0.002","7.5245","0.0015","17.6","0.004","90","","105.26","0.03","90","","1408.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-3-methyl-2-butylammonium deoxycholate","(S)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0938","0.0425","","","0.0869","0.0989","","","","","","0.964","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209166","8.628","0.0017","14.716","0.003","9.834","0.002","90","","111.82","0.03","90","","1159.2","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N5 S -","- C11 H11 N5 S -","- C44 H44 N20 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.024","0.0238","","","0.0595","0.0596","","","","","","1.07","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209206","18.8281","0.000026","7.19429","0.000018","5.73035","0.000014","90","","95.9613","0.0001","90","","772.006","0.003","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","","- C14 H21 N O7 -","- C14 H21 N O7 -","- C28 H42 N2 O14 -","2","1","","Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.","Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate","CrystEngComm","2013","15","10","1853","","10.1039/c2ce26097b","powder diffraction","","0.826146","synchrotron","","","","","","","","","","1.874","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209248","4.634","0.001","5.292","0.001","13.943","0.003","90","","95.57","0.03","90","","340.31","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-phenylurea","N-phenylurea","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C14 H16 N4 O2 -","2","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.04","0.028","","","","","2.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209290","7.577","0.003","6.894","0.002","8.927","0.004","90","","102.174","0.005","90","","455.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Imidazolium L-Tartrate","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C14 H20 N4 O12 -","2","1","","Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun","Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold","CrystEngComm","2013","15","11","2157","","10.1039/c3ce26942f","","","0.71073","MoKα","","0.0257","0.0246","","","0.0635","0.0641","","","","","","1.041","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209725","7.3335","0.0006","5.8827","0.0004","12.8465","0.0009","90","","99.79","0.007","90","","546.14","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0508","0.0337","","","0.0585","0.0606","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209752","10.133","0.002","8.776","0.0018","16.458","0.003","90","","92.6","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol- 1-yl)ethanone-2-naphthol co-crystal","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1318","0.0651","","","0.1142","0.1343","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209753","5.6999","0.0002","6.5428","0.0003","23.1874","0.001","90","","94.835","0.004","90","","861.66","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - S-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0411","0.0389","","","0.1136","0.1168","","","","","","1.097","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209754","5.7713","0.0002","6.252","0.0003","23.8346","0.0011","90","","92.047","0.004","90","","859.46","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - R-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0658","0.0642","","","0.1795","0.1811","","","","","","1.064","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209756","13.122","0.002","5.898","0.001","24.075","0.003","90","","95.56","0.005","90","","1854.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","0.71073","MoKα","","0.05","0.0421","","","0.1052","0.1124","","","","","","0.832","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209818","8.1051","0.0003","7.1178","0.0003","12.2732","0.0005","90","","103.646","0.004","90","","688.06","0.05","298","2","298","2","","","","","","","Synthetic Product","6","P 1 21 1","P 2yb","4","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bonfilio, Rudy; Rosa, Iara M. L.; Santos, Leandro M.; Santos, Olimpia M. M.; Araújo, Magali B.; Doriguetto, Antônio C.","The form II of the antihypertensive drug chlorthalidone","CrystEngComm","2013","15","19","3767","","10.1039/c3ce40303c","","","0.71073","MoKα","","0.0306","0.028","","","0.063","0.0645","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209865","7.705","0.018","7.191","0.018","12.34","0.03","90","","92.39","0.07","90","","683","3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","? 4-(3-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0845","0.0697","","","0.1752","0.1845","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209873","5.4744","0.0014","11.366","0.003","11.235","0.003","90","","93.816","0.004","90","","697.5","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0293","","","0.0743","0.0749","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209899","6.2576","0.0013","14.176","0.003","9.4606","0.0019","90","","107.55","0.03","90","","800.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0952","0.0623","","","0.1382","0.1542","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209901","6.0703","0.0013","14.175","0.003","9.5289","0.0019","90","","105.04","0.03","90","","791.8","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0991","0.0638","","","0.1525","0.1774","","","","","","1.026","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209918","10.2863","0.0003","4.1579","0.0001","16.339","0.0005","90","","98.83","0.003","90","","690.53","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B La Mo O6 -","- B La Mo O6 -","- B6 La6 Mo6 O36 -","6","3","","Yu, Yan; Li, Lingyun; Lin, Zhoubin; Wang, Guofu","Growth, structure and optical properties of a nonlinear optical crystal α-LaBMoO6","CrystEngComm","2013","15","26","5245","","10.1039/c3ce40364e","","","0.71073","MoKα","","0.0382","0.03","","","0.0707","0.079","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209937","7.0267","0.0005","19.4733","0.0015","10.9698","0.0008","90","","102.362","0.003","90","","1466.23","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-phenylpyridinium gallate","4-phenylpyridinium gallate","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0378","0.036","","","0.0993","0.101","","","","","","1.05","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209950","12.144","0.003","7.893","0.002","34.093","0.005","90","","90.63","0.03","90","","3267.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3-nitrobenzoy)-(D~0.55~L~0.45~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0909","0.0828","","","0.2016","0.2066","","","","","","1.172","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209962","9.644","0.0019","9.592","0.0019","11.141","0.002","90","","109.71","0.03","90","","970.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H20 Co K O22 Ru2 -","- C4 H20 Co K O22 Ru2 -","- C8 H40 Co2 K2 O44 Ru4 -","2","1","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0389","0.0338","","","0.0717","0.0735","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210016","6.8143","0.0014","22.419","0.005","8.8759","0.0018","90","","101.85","0.03","90","","1327.1","0.5","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","2","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0565","0.053","","","0.1358","0.1402","","","","","","1.052","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210035","10.01","0.002","6.179","0.0013","12.767","0.003","90","","107.203","0.003","90","","754.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C36 H32 F2 N2 O4 -","2","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0388","0.0374","","","0.0915","0.0927","","","","","","1.059","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210089","4.537803","","19.75839","","19.85653","","90","","95.3888","","90","","1772.46","","","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","2","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","powder diffraction","","1.541","X-rays","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7210157","5.4942","0.0004","15.1735","0.001","10.498","0.0007","90","","101.707","0.001","90","","856.97","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0249","0.0241","","","0.0681","0.0688","","","","","","1.058","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210159","5.5319","0.0005","15.2012","0.0015","10.6928","0.001","90","","104.581","0.002","90","","870.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0391","0.0372","","","0.0993","0.101","","","","","","1.069","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210160","5.4588","0.0004","15.0882","0.0012","10.8815","0.0009","90","","104.21","0.001","90","","868.82","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.03","0.0277","","","0.0714","0.0729","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210161","11.367","0.002","3.8092","0.0007","13.278","0.003","90","","112.892","0.003","90","","529.65","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-Aminopyridine 4-nitrophenol","3-Aminopyridine 4-nitrophenol","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C22 H22 N6 O6 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0579","0.0527","","","0.1347","0.1393","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210167","10.066","0.003","10.325","0.003","14.786","0.005","90","","91.456","0.005","90","","1536.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H38 Al2 B10 N6 O24 -","- C8 H38 Al2 B10 N6 O24 -","- C16 H76 Al4 B20 N12 O48 -","2","1","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.0592","0.0509","","","0.1305","0.1603","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210185","6.5711","0.0002","7.2502","0.0002","19.0229","0.0005","90","","99.665","0.001","90","","893.42","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 I2 S6 -","- C11 H10 I2 S6 -","- C22 H20 I4 S12 -","2","1","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0373","0.026","","","0.0495","0.053","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210328","12.589","0.002","5.9903","0.0009","14.136","0.002","90","","115.801","0.002","90","","959.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0707","0.0536","","","0.1115","0.1201","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210336","12.358","0.003","8.354","0.002","18.078","0.002","90","","101.94","0.03","90","","1826","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-asparaginate ethanol solvate hydrate","","- C36 H44 N6 O14 -","- C36 H43.9998 N6 O14 -","- C72 H87.9996 N12 O28 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1125","0.0766","","","0.1959","0.212","","","","","","1.037","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210388","5.311","0.0005","21.103","0.002","33.059","","90","","94.675","0.006","90","","3692.9","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","lamivudine hydrogen hemihydrate phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen hemihydrate phthalate","","- C16 H18 N3 O7.5 S -","- C16 H18 N3 O7.5 S -","- C128 H144 N24 O60 S8 -","8","4","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","","0.71073","MoKα","","0.1503","0.065","","","0.1757","0.2532","","","","","","0.99","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210396","9.3958","0.0019","26.777","0.005","10.69","0.002","90","","100.54","0.03","90","","2644.1","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu5]","","","- C40 H47 Cl2 Cu5 N12 O20 -","- C40 H47 Cl2 Cu5 N12 O20 -","- C80 H94 Cl4 Cu10 N24 O40 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0746","0.0482","","","0.0686","0.0758","","","","","","0.963","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210417","8.2402","0.0004","18.2164","0.0014","14.1658","0.0011","90","","91.122","0.004","90","","2126","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H32 Cu2 N6 O23 U2 -","- C34 H30 Cu2 N6 O23 U2 -","- C68 H60 Cu4 N12 O46 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.061","0.0545","","","0.1444","0.1483","","","","","","1.051","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210466","9.3786","0.0017","23.547","0.004","18.543","0.003","90","","90.617","0.003","90","","4094.8","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","","- C28 H22 N2 -","- C28 H22 N2 -","- C224 H176 N16 -","8","4","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0954","0.0627","","","0.1473","0.2046","","","","","","1.117","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210494","10.568","0.002","13.363","0.003","13.111","0.003","90","","112.4","0.03","90","","1711.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H47 Co2 N4 O9.5 -","- C34 H47 Co2 N4 O9.5 -","- C68 H94 Co4 N8 O19 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.044","0.0355","","","0.0913","0.1054","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210495","7.4338","0.0006","20.8333","0.0016","22.0157","0.0015","90","","90.768","0.001","90","","3409.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 Cd N4 O8 -","- C34 H46 Cd N4 O8 -","- C136 H184 Cd4 N16 O32 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0681","0.0544","","","0.1394","0.169","","","","","","1.092","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210496","7.146","0.0004","20.3903","0.0011","22.8153","0.0012","90","","91.79","0.004","90","","3322.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 N4 O8 Zn -","- C34 H46 N4 O8 Zn -","- C136 H184 N16 O32 Zn4 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.1072","0.0636","","","0.1593","0.1924","","","","","","1.028","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210498","12.623","0.003","12.253","0.003","18.244","0.004","90","","95.69","0.03","90","","2807.9","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H34 N4 O7 Zn2 -","- C26 H34 N4 O7 Zn2 -","- C104 H136 N16 O28 Zn8 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0642","0.0487","","","0.129","0.1475","","","","","","1.058","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210567","9.5475","0.0003","11.44","0.0003","13.2092","0.0004","90","","109.974","0.001","90","","1355.97","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H32 Ag4 N6 O12 P2 S4 -","- C12 H32 Ag4 N6 O12 P2 S4 -","- C24 H64 Ag8 N12 O24 P4 S8 -","2","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0161","0.016","","","0.0401","0.0402","","","","","","1.034","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210584","9.6874","0.0007","18.8238","0.0014","10.3652","0.0006","90","","102.994","0.007","90","","1841.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 Mo3 N12 O9 -","- C30 H36 Mo3 N12 O9 -","- C60 H72 Mo6 N24 O18 -","2","1","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0973","0.0599","","","0.078","0.0867","","","","","","1","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210605","11.364","0.005","6.636","0.003","12.345","0.005","90","","106.424","0.004","90","","893","0.7","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F3 N O3 -","- C18 H20 F3 N O3 -","- C36 H40 F6 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji","Crystal structures of Mosher's salt and ester elucidated by X-ray crystallography","CrystEngComm","2013","15","40","8088","","10.1039/c3ce41160e","","","0.7107","MoKα","","","0.0371","","","","0.0896","","","","","","1.105","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210694","9.2965","0.0012","8.9901","0.0012","16.812","0.002","90","","96.943","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 O10 -","- C34 H26 N2 O10 -","- C68 H52 N4 O20 -","2","1","","Jana, Poulami; Maity, Suman Kumar; Bera, Santu; Ghorai, Pradip Kumar; Haldar, Debasish","Hierarchical self-assembly of naphthalene bisimides to fluorescent microspheres and fluoride sensing","CrystEngComm","2013","15","13","2512","","10.1039/c3ce26700h","","","1.54178","CuKα","","0.0359","0.0319","","","0.0782","0.0807","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210868","20.0954","0.0003","29.8975","0.0005","24.9908","0.0004","90","","110.867","0.002","90","","14029.7","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C435 H519 Cl40 Cu20 N113 O61 -","2","1","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.1028","0.074","","","0.1983","0.2182","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210872","8.413","0.0012","5.334","0.0007","13.284","0.0014","90","","97.52","0.013","90","","590.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C28 H18 Cu2 N2 O10 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0737","0.0528","","","0.0926","0.106","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210900","8.3395","0.0002","15.7388","0.0004","12.694","0.0004","90","","105.565","0.001","90","","1605.03","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N8 O10 Zn2 -","- C30 H28 N8 O10 Zn2 -","- C60 H56 N16 O20 Zn4 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0401","0.0339","","","0.0782","0.0813","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210914","8.867","0.004","6.102","0.003","15.553","0.007","90","","103.913","0.011","90","","816.8","0.7","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H9 F4 I2 N O S -","- C13 H9 F4 I2 N O S -","- C26 H18 F8 I4 N2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0355","0.032","","","0.0752","0.0769","","","","","","1.036","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210931","12.395","0.003","18.092","0.004","14.144","0.003","90","","115.46","0.03","90","","2863.8","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 Co2 N10 O33 P2 -","- C38 H74 Co2 N10 O33 P2 -","- C76 H148 Co4 N20 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0892","0.0611","","","0.1137","0.1273","","","","","","1.015","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210933","12.387","0.003","18.193","0.004","14.163","0.003","90","","115.87","0.03","90","","2871.9","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 N10 Ni2 O33 P2 -","- C38 H74 N10 Ni2 O33 P2 -","- C76 H148 N20 Ni4 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0998","0.0673","","","0.1197","0.1379","","","","","","1.064","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211038","10.3697","0.0004","12.6801","0.0003","7.7756","0.0002","90","","109.059","0.004","90","","966.36","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","2","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0315","0.029","","","0.0797","0.0931","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211052","12.7023","0.0017","9.2602","0.0012","13.3792","0.0017","90","","117.315","0.002","90","","1398.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Ag2 Cl2 N10 O13 -","- C16 H22 Ag2 Cl2 N10 O13 -","- C32 H44 Ag4 Cl4 N20 O26 -","2","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71073","MoKα","","0.0416","0.0399","","","0.1036","0.1056","","","","","","1.066","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211064","4.7841","0.0002","9.317","0.0003","18.9162","0.0003","90","","92.498","0.002","90","","842.36","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C36 H34 N10 O6 -","2","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0652","0.0537","","","0.1438","0.1656","","","","","","1.062","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211192","9.6275","0.0002","9.2206","0.0002","19.3389","0.0004","90","","91.532","0.002","90","","1716.13","0.06","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 Cu2 N8 S5 -","- C32 H30 Cu2 N8 S5 -","- C64 H60 Cu4 N16 S10 -","2","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.7107","MoKα","","0.0448","0.0344","","","0.0651","0.0691","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211270","8.9539","0.0002","37.2276","0.0006","9.1021","0.0002","90","","90.1219","0.0016","90","","3034.02","0.11","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","1-butyl-3-methylimidazolium tetrakis(hexafluoroisopropoxy)borate","[C4MIM][B(hfip)4]","","- C20 H19 B F24 N2 O4 -","- C20 H19 B F24 N2 O4 -","- C80 H76 B4 F96 N8 O16 -","4","2","","Beichel, Witali; Yu, Yang; Dlubek, Günter; Krause-Rehberg, Reinhard; Pionteck, Jürgen; Pfefferkorn, Dirk; Bulut, Safak; Bejan, Dana; Friedrich, Christian; Krossing, Ingo","Free volume in ionic liquids: a connection of experimentally accessible observables from PALS and PVT experiments with the molecular structure from XRD data.","Physical chemistry chemical physics : PCCP","2013","15","22","8821","8830","10.1039/c3cp43306d","","x-ray","0.71073","MoKα","K-L~3~","0.0671","0.0468","","","0.1146","0.1294","","","","","","1.142","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7211280","9.049","0.004","11.691","0.006","14.982","0.007","90","","96.088","0.009","90","","1576","1.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 Ni O5 S5 -","- C27 H33 N4 Ni O5 S5 -","- C54 H66 N8 Ni2 O10 S10 -","2","1","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.71075","MoKα","","0.0933","0.0662","","","0.1017","0.1129","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211286","5.7787","0.0002","17.0131","0.0007","7.9775","0.0002","90","","90.043","0.002","90","","784.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C4 H9 O3 Re S -","- C4 H9 O3 Re S -","- C16 H36 O12 Re4 S4 -","4","2","","Saleh, Nidal; Zrig, Samia; Roisnel, Thierry; Guy, Laure; Bast, Radovan; Saue, Trond; Darquié, Benoît; Crassous, Jeanne","A chiral rhenium complex with predicted high parity violation effects: synthesis, stereochemical characterization by VCD spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2013","15","26","10952","10959","10.1039/c3cp50199j","","x-ray","0.71073","MoKα","","0.0504","0.0355","","","0.084","0.0944","","","","","","1.025","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211300","7.8984","0.0007","7.0663","0.0006","7.4985","0.0006","90","","93.339","0.004","90","","417.8","0.06","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B3 H16 Li3 N2 -","- B3 H16 Li3 N2 -","- B6 H32 Li6 N4 -","2","1","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.11371","","1.15","","","","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211323","10.28","0.002","16.992","0.003","11.204","0.002","90","","97.87","0.03","90","","1938.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 O6 Pr -","- C26 H42 Mo N14 O6 Pr -","- C52 H84 Mo2 N28 O12 Pr2 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0554","0.0514","","","0.1275","0.1303","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211324","10.257","0.002","16.936","0.003","11.176","0.002","90","","98.09","0.03","90","","1922.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 Nd O6 -","- C26 H42 Mo N14 Nd O6 -","- C52 H84 Mo2 N28 Nd2 O12 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0541","0.0481","","","0.102","0.1051","","","","","","1.006","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211370","10.923","0.004","10.889","0.004","12.814","0.004","90","","102.503","0.017","90","","1488","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N3 O6 -","- C29 H39 N3 O6 -","- C58 H78 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1235","0.128","","","","","","1.067","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211371","12.575","0.004","10.973","0.003","13.526","0.005","90","","105.577","0.009","90","","1797.8","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.1863","0.0993","","","0.2502","0.2947","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211426","11.3111","0.0002","13.8834","0.0003","16.8506","0.0003","90","","99.992","0.001","90","","2606.02","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cd N4 O10 -","- C25 H26 Cd N4 O10 -","- C100 H104 Cd4 N16 O40 -","4","2","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.1255","0.0579","","","0.0658","0.0806","","","","","","0.993","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211599","5.725","0.002","48.556","0.019","11.522","0.004","90","","103.316","0.008","90","","3117","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N O2 -","- C17.9875 H21.9625 N O2 -","- C143.9 H175.7 N8 O16 -","8","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2585","0.1314","","","0.2787","0.3532","","","","","","0.972","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211600","5.7654","0.0004","48.7","0.003","11.5146","0.0007","90","","103.684","0.001","90","","3141.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0418","0.0376","","","0.1083","0.1196","","","","","","0.878","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211676","5.6061","0.0002","15.8135","0.0006","14.0347","0.0005","90","","97.281","0.002","90","","1234.17","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N9 O4 -","- C26 H23 N9 O4 -","- C52 H46 N18 O8 -","2","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.083","0.0519","","","0.1135","0.1445","","","","","","0.98","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211879","5.1889","0.0016","6.1177","0.0019","16.787","0.005","90","","97.195","0.012","90","","528.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Caesium nonafluorobutylsulfonate","","- C4 Cs F9 O3 S -","- C4 Cs F9 O3 S -","- C8 Cs2 F18 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0276","0.0249","","","0.0589","0.0601","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211938","7.536","0.0004","14.218","0.0008","9.716","0.0006","90","","96.571","0.003","90","","1034.2","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutaric Acid & 4-Methylimidazole","Glutaric Acid & 4-Methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.098","0.0559","","","0.0977","0.1108","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212033","14.8259","0.0005","7.8389","0.0002","16.1032","0.0005","90","","108.651","0.0016","90","","1773.21","0.09","273.1","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 F N O5 -","- C39 H54 F N O5 -","- C78 H108 F2 N2 O10 -","2","1","","Nakano, Kazunori; Akita, Shigendo; Murai, Taketoshi; Liu, Wen-Tzu; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Selective guest retention in thermal guest-release process in sandwich-type inclusion crystal of cholic acid","CrystEngComm","2010","12","5","1461","","10.1039/b918639e","","","1.54187","CuKα","","","0.0623","","","","0.1922","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212131","10.4406","0.0004","14.5752","0.0007","18.1024","0.001","90","","94.02","0.003","90","","2747.9","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H27 Cr N Na O14 S24 -","- C37 H27 Cr N Na O14 S24 -","- C74 H54 Cr2 N2 Na2 O28 S48 -","2","1","","Martin, Lee; Day, Peter; Horton, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Chiral conducting salts of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","Journal of Materials Chemistry","2010","20","14","2738","","10.1039/b920224b","","","0.71073","MoKα","","0.1494","0.0972","","","0.1898","0.2191","","","","","","1.104","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212157","11.746","0.0008","7.1253","0.0005","12.3756","0.0009","90","","96.584","0.001","90","","1028.93","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C46 H46 N2 O4 S4 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0512","0.0429","","","0.0953","0.0991","","","","","","1.046","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212234","10.035","0.002","21.349","0.004","11.489","0.002","90","","105.67","0.03","90","","2369.9","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H60 Br Cu2 K N4 O9 -","- C49 H60 Br Cu2 K N4 O9 -","- C98 H120 Br2 Cu4 K2 N8 O18 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0482","0.0475","","","0.1195","0.1204","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212236","11.2594","0.0004","26.5238","0.0009","16.2911","0.0006","90","","103.393","0.002","90","","4732.9","0.3","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C192 H224 Cl8 Cs4 Cu12 N16 O32 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.025","0.0205","","0.0298","0.0226","0.0223","","","","","","1.0968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212237","13.795","0.003","13.814","0.003","15.431","0.003","90","","104.92","0.03","90","","2841.5","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H32 Ca Cu N4 O11 -","- C25 H32 Ca Cu N4 O11 -","- C100 H128 Ca4 Cu4 N16 O44 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0275","0.0268","","","0.0717","0.0722","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212239","18.444","0.004","14.311","0.003","21.715","0.004","90","","95.94","0.03","90","","5701","2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C99 H125 Ba2 Cu4 I8 N8 O19.5 -","- C99 H124 Ba2 Cu4 I8 N8 O19.5 -","- C198 H248 Ba4 Cu8 I16 N16 O39 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0522","0.0511","","","0.1408","0.1422","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212267","11.037","0.003","7.1184","0.0019","11.835","0.003","90","","108.271","0.004","90","","882.9","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N5 O5 -","- C19 H15 N5 O5 -","- C38 H30 N10 O10 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0706","0.0436","","","0.0705","0.0763","","","","","","1.001","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212271","10.351","0.003","6.9394","0.0018","13.099","0.003","90","","108.018","0.004","90","","894.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C38 H28 N8 O14 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0497","0.0415","","","0.0857","0.0902","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212281","8.4078","0.0008","8.3744","0.0008","11.4399","0.001","90","","98.698","0.004","90","","796.22","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume","Solvent-free microwave-assisted Meyers’ lactamization","Green Chemistry","2010","12","6","961","","10.1039/b924111f","","","0.71073","MoKα","","0.0506","0.0392","","0.0746","0.0441","0.0431","","","","","","1.1559","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7212320","15.007","0.005","14.443","0.003","21.342","0.006","90","","95.48","0.005","90","","4605","2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H57 Cl4 N5 O23 S0 -","- C33 H49 Cl4 N5 O23 -","- C132 H196 Cl16 N20 O92 -","4","2","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0711","","","0.1806","0.2326","","","","","","1.088","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212344","5.905","0.002","7.947","0.004","16.797","0.009","90","","97.611","0.015","90","","781.3","0.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0622","0.0454","","","0.0818","0.0874","","","","","","1.076","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212355","6.337","0.004","19.79","0.005","6.947","0.005","90","","95.21","0.03","90","","867.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 Cl6 N2 O4 -","- C9 H14 Cl6 N2 O4 -","- C18 H28 Cl12 N4 O8 -","2","1","","Cai, Hong-Ling; Zhang, Tong; Chen, Li-Zhuang; Xiong, Ren-Gen","The first homochiral compound with temperature-independence of piezoelectric properties","Journal of Materials Chemistry","2010","20","10","1868","","10.1039/b926053f","","","0.71073","MoKα","","0.0882","0.0588","","","0.1196","0.1381","","","","","","1.058","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212367","12.559","0.002","7.069","0.002","35.388","0.004","90","","92.13","0.03","90","","3139.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.055","0.0405","","","0.0803","0.0837","","","","","","1.003","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212368","17.561","0.004","12.479","0.003","23.694","0.004","90","","101.91","0.03","90","","5081","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","","- C34.67 H46 N4 O13.33 -","- C34.6667 H46 N4 O13.3333 -","- C208 H276 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.079","0.0587","","","0.1267","0.1344","","","","","","1.061","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212372","7.85","0.002","12.477","0.002","33.105","0.004","90","","92.58","0.03","90","","3239.2","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate 3.25-hydrate","","- C33 H42.5 N4 O13.25 -","- C33 H42.5 N4 O13.25 -","- C132 H170 N16 O53 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1103","0.0467","","","0.0828","0.0964","","","","","","0.895","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212373","7.371","0.003","12.151","0.004","19.098","0.005","90","","91.31","0.03","90","","1710.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H46 N4 O14.5 -","- C33 H40.832 N4 O14.5 -","- C66 H81.664 N8 O29 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1519","0.0904","","","0.2477","0.2762","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212374","7.996","0.003","33.138","0.005","12.679","0.003","90","","93.59","0.03","90","","3353","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-L-serinate tetrahydrate","","- C33 H44 N4 O14 -","- C33 H41.9185 N4 O14.0415 -","- C132 H167.674 N16 O56.166 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0725","0.0587","","","0.1493","0.1566","","","","","","1.046","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212375","17.499","0.004","12.426","0.004","23.627","0.005","90","","102.14","0.03","90","","5023","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","","- C33.44 H43.54 N4 O13.33 -","- C33.4453 H35 N4 O13.3333 -","- C200.672 H210 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.2349","0.1028","","","0.1803","0.2203","","","","","","1.004","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212388","11.548","0.001","7.886","0.001","13.048","0.001","90","","94.15","0.01","90","","1185.1","0.2","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 Er O6 -","- C27 H21 Er O6 -","- C54 H42 Er2 O12 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.022","","","","0.027","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212389","11.544","0.001","7.9169","0.0009","13.071","0.002","90","","94.136","0.002","90","","1191.5","0.2","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 Ho O6 -","- C27 H21 Ho O6 -","- C54 H42 Ho2 O12 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.021","","","","0.026","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212390","11.574","0.002","7.848","0.002","13.043","0.003","90","","94.384","0.003","90","","1181.3","0.5","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 O6 Yb -","- C27 H21 O6 Yb -","- C54 H42 O12 Yb2 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.03","","","","0.037","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212391","11.5429","0.001","7.9186","0.0007","13.0625","0.0011","90","","94.139","0.002","90","","1190.85","0.18","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 O6 Y -","- C27 H21 O6 Y -","- C54 H42 O12 Y2 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.029","","","","0.028","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212392","11.564","0.001","7.8702","0.0009","13.042","0.002","90","","94.28","0.002","90","","1183.7","0.2","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 O6 Tm -","- C27 H21 O6 Tm -","- C54 H42 O12 Tm2 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.02","","","","0.021","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212393","11.5204","0.0011","7.9361","0.0007","13.0778","0.0012","90","","94.049","0.002","90","","1192.68","0.19","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 Dy O6 -","- C27 H21 Dy O6 -","- C54 H42 Dy2 O12 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.019","","","","0.023","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212398","11.589","0.002","7.817","0.002","13.021","0.003","90","","94.354","0.003","90","","1176.2","0.5","301","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 Lu O6 -","- C27 H21 Lu O6 -","- C54 H42 Lu2 O12 -","2","1","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.033","","","","0.041","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212424","12.03","0.002","13.949","0.003","12.384","0.003","90","","91.3","0.03","90","","2077.6","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 N4 O10 Zn2 -","- C42 H40 N4 O10 Zn2 -","- C84 H80 N8 O20 Zn4 -","2","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1234","0.0728","","","0.1771","0.2011","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212433","8.1016","0.0003","5.30912","0.00018","16.8806","0.0005","90","","97.057","0.003","90","","720.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0363","0.0348","","","0.0957","0.0977","","","","","","1.084","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212443","7.0952","0.0003","12.2671","0.0005","8.6368","0.0004","90","","94.274","0.002","90","","749.64","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C32 H36 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0405","0.0319","","","0.0783","0.081","","","","","","1.095","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212468","8.6159","0.0013","13.762","0.002","9.6961","0.0014","90","","111.258","0.002","90","","1071.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","zinc sulfate","","","- C4 H12 N2 O8 S2 Zn -","- C4 H12 N2 O8 S2 Zn -","- C16 H48 N8 O32 S8 Zn4 -","4","2","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0925","0.0543","","","0.0864","0.1005","","","","","","1.01","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212482","7.7056","0.0015","11.588","0.002","17.604","0.004","90","","102.37","0.03","90","","1535.4","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","2","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1068","0.076","","","0.1744","0.1943","","","","","","1.027","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212499","16.561","0.003","12.656","0.003","17.176","0.003","90","","113.54","0.03","90","","3300.4","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 Co N4 O2 -","- C38 H43 Co N4 O2 -","- C152 H172 Co4 N16 O8 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1186","0.0676","","","0.1525","0.1825","","","","","","0.959","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212500","15.312","0.007","12.191","0.005","18.927","0.008","90","","96.983","0.007","90","","3507","3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 Mn N4 O4 -","- C39 H42 Mn N4 O4 -","- C156 H168 Mn4 N16 O16 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1303","0.0867","","","0.1964","0.2325","","","","","","0.986","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212501","11.564","0.002","18.821","0.004","17.117","0.003","90","","100.68","0.03","90","","3660.9","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H88 N8 Ni2 O6 -","- C76 H84 N8 Ni2 O6 -","- C152 H168 N16 Ni4 O12 -","2","1","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0915","0.0553","","","0.1249","0.1414","","","","","","1.021","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212502","9.7901","0.0011","10.4305","0.0012","32.683","0.004","90","","97.74","0.001","90","","3307","0.7","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 N4 O2 Zn -","- C38 H42 N4 O2 Zn -","- C152 H168 N16 O8 Zn4 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0733","0.0433","","","0.0847","0.0964","","","","","","0.959","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212509","20.424","0.004","11.568","0.002","21.291","0.004","90","","112.26","0.03","90","","4655.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0597","0.051","","","0.1424","0.1514","","","","","","0.962","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212510","20.443","0.004","11.573","0.002","21.276","0.004","90","","112.15","0.03","90","","4662.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0387","0.0354","","","0.0948","0.0982","","","","","","1.045","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212511","15.314","0.003","15.585","0.003","16.984","0.003","90","","104.48","0.03","90","","3924.8","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H65 Mo18 N6 O86.5 P2 -","- C12 H20 Mo18 N6 O86.5 P2 -","- C24 H40 Mo36 N12 O173 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0677","0.0651","","","0.1681","0.1695","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212518","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.1177","0.0868","","","0.236","0.256","","","","","","0.987","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212521","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0999","0.0722","","","0.2056","0.2218","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212567","4.1069","0.0003","5.9634","0.0007","13.395","0.003","90","","93.949","0.012","90","","327.28","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0523","0.0429","","","0.106","0.1123","","","","","","1.217","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212602","12.424","0.003","27.645","0.006","14.359","0.003","90","","93.55","0.03","90","","4922.3","1.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C92 H88 F12 N6 O22 Ru4 S4 -","- C92 H84 F12 N6 O22 Ru4 S4 -","- C184 H168 F24 N12 O44 Ru8 S8 -","2","1","","Linares, Fátima; Procopio, Elsa Quartapelle; Galindo, Miguel A.; Romero, M. Angustias; Navarro, Jorge A. R.; Barea, Elisa","Molecular architecture of redox-active half-sandwich Ru(ii) cyclic assemblies. Interactions with biomolecules and anticancer activity","CrystEngComm","2010","12","8","2343","","10.1039/c002411b","","","0.71073","MoKα","","0.0664","0.0541","","","0.1387","0.1519","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212667","16.2891","0.0003","43.0728","0.0006","19.5152","0.0003","90","","90.418","0.002","90","","13691.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","25,26,27,28-tetradodecoxycalix(4)arene","","","- C76 H120 O4 -","- C76 H120 O4 -","- C608 H960 O32 -","8","4","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.1027","0.0894","","","0.234","0.255","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212710","9.8965","0.0001","4.6963","0.0001","16.1188","0.0001","90","","106.989","0.001","90","","716.46","0.018","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-norvaline:D-methionine","S-2-aminopentanoic acid : R-methionine (1:1)","","- C10 H22 N2 O4 S -","- C10 H22 N2 O4 S -","- C20 H44 N4 O8 S2 -","2","1","","Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.","Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.","Physical chemistry chemical physics : PCCP","2010","12","30","8466","8477","10.1039/c004055j","","","0.71073","MoKα","","0.0568","0.0413","","","0.1074","0.1163","","","","","","1.053","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212782","10.882","0.002","7.4911","0.0015","12.618","0.003","90","","110.599","0.003","90","","962.8","0.3","293","1","293","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","TADDOL FORM B","TADDOL FORM B","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0398","0.0342","","","0.0784","0.0815","","","","","","1.057","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212788","20.364","0.0005","7.789","0.0002","31.103","0.0007","90","","91.8689","0.0014","90","","4930.8","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Co-crystal of lithocholic acid and lithocholic acid-melamine salt","","","- C51 H86 N6 O6 -","- C51 H86 N6 O6 -","- C204 H344 N24 O24 -","4","2","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.1566","0.079","","","0.1419","0.1708","","","","","","1.03","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212846","10.206","0.002","14.185","0.003","10.777","0.002","90","","93.69","0.03","90","","1557","0.5","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H43 Cu2 Mo N15 O4 -","- C20 H43 Cu2 Mo N15 O4 -","- C40 H86 Cu4 Mo2 N30 O8 -","2","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0231","0.0218","","","0.0484","0.0486","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212888","9.8604","0.0015","14.374","0.002","10.3111","0.0016","90","","95.065","0.003","90","","1455.7","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N16 O8 Zn2 -","- C20 H28 N16 O8 Zn2 -","- C40 H56 N32 O16 Zn4 -","2","1","","Liang, Xiao-Qiang; Jia, Jiang-Tao; Wu, Tao; Li, Dong-Ping; Liu, Lei; Tsolmon,; Zhu, Guang-Shan","A spontaneously resoluted zinc‒organic framework with nonlinear optical and ferroelectric properties generated from tetrazolate-ethyl ester ligand","CrystEngComm","2010","12","11","3499","","10.1039/c0ce00329h","","","0.71073","MoKα","","0.0583","0.0553","","","0.1428","0.1441","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212890","9.5298","0.0002","17.3699","0.0004","10.4197","0.0003","90","","94.017","0.001","90","","1720.55","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","artemisinin-resorcinol 2/1","artemisinin-resorcinol 2/1","","- C36 H50 O12 -","- C36 H50 O12 -","- C72 H100 O24 -","2","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0421","0.0385","","","0.0984","0.1016","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212894","12.499","0.005","6.8934","0.0015","13.411","0.006","90","","113.73","0.03","90","","1057.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium).(2-(2-(2,6-dichlorophenylamino)phenyl)acetate)","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C44 H44 Cl4 N4 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0353","0.029","","","0.0662","0.0691","","","","","","1.022","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212895","12.4158","0.0006","5.5535","0.0002","28.1619","0.0014","90","","94.203","0.002","90","","1936.57","0.15","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium)). (2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate)","","- C21 H20 F3 N3 O2 -","- C21 H20 F3 N3 O2 -","- C84 H80 F12 N12 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0539","0.0423","","","0.0985","0.1045","","","","","","0.992","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212937","12.01","0.001","6.0745","0.0004","15.626","0.002","90","","104.14","0.01","90","","1105.45","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 S6 -","- C24 H14 S6 -","- C48 H28 S12 -","2","1","","Piron, Flavia; Leriche, Philippe; Grosu, Ion; Roncali, Jean","Electropolymerizable 3Dπ-conjugated architectures with ethylenedioxythiophene (EDOT) end-groups as precursors of electroactive conjugated networks","Journal of Materials Chemistry","2010","20","45","10260","","10.1039/c0jm01873b","","x-ray","0.71073","MoKα","","","0.0462","","","","0.1424","","","","","","1.022","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212967","9.556","0.003","6.038","0.002","9.994","0.004","90","","103.69","0.03","90","","560.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R)-3-Phenyl-3,4,6,8-tetrahydro-1H-furo[3,4-b]pyrrole[1,2-6]thiazole","","- C14 H13 N O S -","- C14 H13 N O S -","- C28 H26 N2 O2 S2 -","2","1","","M. V. D. Pinho e Melo, Teresa; M. Barbosa, Dália; J. R. S. Ramos, Paulo; M. d’A. Rocha Gonsalves, António; L. Gilchrist, Thomas; M. Beja, Ana; A. Paixão, José; R. Silva, Manuela; Alte da Veiga, Luiz","Intramolecular dipolar cycloaddition reaction of 5H,7H-thiazolo[3,4-c]oxazol-4-ium-1-olates: synthesis of chiral 1H-pyrrolo[1,2-c]thiazole derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","9","1219","","10.1039/a807678b","","","0.71073","MoKα","","0.0264","0.0254","","","0.0687","0.0694","","","","","","1.063","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212968","10.217","0.002","11.655","0.002","10.936","0.002","90","","117.38","0.03","90","","1156.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C44 H64 O14 -","2","1","","Aggarwal, Varinder K.; Masters, Susannah J.; Adams, Harry; Spey, Sharon E.; Brown, George R.; Foubister, Alan J.","The effects of different ester and ketal protecting groups on the reactivity and selectivity of tartrate-derived silylketene acetals","Journal of the Chemical Society, Perkin Transactions 1","1999","","2","155","","10.1039/a807863g","","","0.71073","MoKα","","0.0628","0.0495","","0.1816","0.1253","","","","1.107","1.002","1.002","","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212975","7.987","0.0002","12.6805","0.0004","8.1337","0.0003","90","","105.788","0.002","90","","792.7","0.04","123","2","123","2","","","","","","","","2","P 1 21 1","P 2yb","4","","14,17-Dimethyl-[2](1,3)azuleno[2]paracyclophane","","- C22 H22 -","- C22 H22 -","- C44 H44 -","2","1","","Grimme, Stefan; Mennicke, Wolfram; Vögtle, Fritz; Nieger, Martin","Experimental and theoretical studies of a chiral azulenophane: synthesis, structure and circular dichroism spectra of 14,17-dimethyl[2](1,3)azuleno[2]paracyclophane","Journal of the Chemical Society, Perkin Transactions 2","1999","","3","521","","10.1039/a808320g","","","0.71073","MoKα","","0.047","0.0413","","","0.0965","0.0981","","","","","","1.044","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212977","13.11","0.004","18.355","0.003","11.861","0.01","90","","97.92","0.04","90","","2827","3","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H74 O9 -","- C62 H74 O9 -","- C124 H148 O18 -","2","1","","Kim, Jong Seung; Pang, Jin Hyun; Yu, Ill Yong; Lee, Won Ku; Suh, Il Hwan; Kim, Jong Kuk; Cho, Moon Hwan; Kim, Eun Tae; Ra, Do Young","Calix[4]arene dibenzocrown ethers as caesium selective extractants","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","837","","10.1039/a808499h","","","0.71073","MoKα","","0.2116","0.0619","","","0.0873","0.1554","","","","","","0.872","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213012","13.322","0.005","6.274","0.002","13.281","0.005","90","","107.9","0.02","90","","1056.3","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H9 N3 O6 S -","- C7 H9 N3 O6 S -","- C28 H36 N12 O24 S4 -","4","2","","Betts, Michael J.; Pritchard, Robin G.; Schofield, Anthony; Stoodley, Richard J.; Vohra, Shaheen","‘Hidden’ axial chirality as a stereodirecting element in reactions involving enol(ate) intermediates. Part 2.† Cyclisation reactions of methyl (4R)-3-(2-diazo-3-oxobutanoyl)-1,1-dioxo-1λ6,3- (and 1-oxo-1λ4,3-) thiazolidine-4-carboxylates","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","1067","","10.1039/a900280d","","","0.71069","MoKα","","0.1352","0.0414","","","0.0953","0.125","","","","","","0.981","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213023","12.2876","0.0005","9.1876","0.0004","24.399","0.001","90","","90.518","0.001","90","","2754.4","0.2","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 Br2 Mn N3 O2 -","- C28 H34 Br2 Mn N3 O2 -","- C112 H136 Br8 Mn4 N12 O8 -","4","2","","Svenstrup, Niels; Bøgevig, Anders; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective α-amination of ketones mediated by chiral nitridomanganese(V) complexes using ammonia as the terminal nitrogen source","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1559","","10.1039/a900358d","","","0.71073","MoKα","","","0.06","","","0.068","","","","","0.745","0.745","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213027","4.911","0.004","16.391","0.005","9.146","0.003","90","","97.44","0.04","90","","730","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-methyl-6-(2-chloroethyl)-8-(2-deoxy-beta-D-ribofuranosyl)-1,2,4,- triazolo[1,5-c]pyrimidin-5-one","","- C13 H17 Cl N4 O4 -","- C13 H17 Cl N4 O4 -","- C26 H34 Cl2 N8 O8 -","2","1","","Loakes, David; Brown, Daniel M.; Salisbury, Stephen A.","A Dimroth rearrangement of pyrimidine nucleosides","Journal of the Chemical Society, Perkin Transactions 1","1999","","10","1333","","10.1039/a900748b","","","0.71069","MoKα","","0.0431","0.037","","0.1028","0.0966","","","","0.937","0.934","0.934","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213034","5.939","0.004","14.95","0.007","11.748","0.007","90","","91.14","0.06","90","","1042.9","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 O4 S -","- C24 H28 O4 S -","- C48 H56 O8 S2 -","2","1","","Lam, Hon Wai; Cooke, Paul A.; Pattenden, Gerald; Bandaranayake, Wickramasinghe M.; Wickramasinghe, Wasantha A.","Structure and total synthesis of benzylthiocrellidone, a novel dimedone-based vinyl sulfide from the sponge Crella spinulata","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","847","","10.1039/a901323g","","","0.71073","MoKα","","0.1605","0.0988","","","0.1951","0.2436","","","","","","1.195","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213036","8.3838","0.001","6.638","0.001","10.58","0.002","90","","93.35","0.02","90","","587.79","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C24 H22 N10 O2 -","2","1","","Booth, Brian L.; Costa, Flora A. T.; Mahmood, Zahid; Pritchard, Robin G.; Proença, M. Fernanda","Synthesis of (Z )-N-(2-amino-1,2-dicyanovinyl)formamide O-alkyloximes and a study of their cyclization in the presence of base","Journal of the Chemical Society, Perkin Transactions 1","1999","","13","1853","","10.1039/a901332f","","","0.71069","MoKα","","0.0434","0.0343","","","0.1057","0.1151","","","","","","0.964","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213054","8.2588","0.0002","13.6878","0.0001","24.1712","0.0004","90","","96.55","0.001","90","","2714.59","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C104 H152 N16 O24 -","4","2","","Efskind, Jon; Rømming, Christian; Undheim, Kjell","Ru(II)-Catalysis in preparation of sterically congested and stereochemically homogeneous heterospiranes","Journal of the Chemical Society, Perkin Transactions 1","1999","","12","1677","","10.1039/a901913h","","","0.71073","MoKα","","0.131","0.0802","","0.2912","0.2187","","","","1.151","1.163","1.163","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213062","7.4889","0.0012","8.9188","0.0012","16.948","0.002","90","","101.972","0.017","90","","1107.4","0.3","213","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O4 S -","- C22 H34 N2 O4 S -","- C44 H68 N4 O8 S2 -","2","1","","Alves, M. José; Bickley, Jamie F.; Gilchrist, Thomas L.","Diastereoselectivity in the addition and cycloaddition reactions of a chiral ester of 2H-azirine-3-carboxylic acid","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1399","","10.1039/a902182e","","","0.71073","MoKα","","0.0616","0.0524","","","0.1246","0.1289","","","","","","0.978","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213097","9.8331","0.001","10.3392","0.001","10.5216","0.0012","90","","99.957","0.012","90","","1053.58","0.19","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O3 -","- C24 H28 O3 -","- C48 H56 O6 -","2","1","","Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.","Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2061","","10.1039/a903961i","","","1.54184","CuKα","","0.0453","0.045","","","0.1266","0.1269","","","","","","1.055","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213098","10.0392","0.0008","7.6254","0.0006","13.2278","0.0011","90","","107.559","0.007","90","","965.45","0.14","160","2","160","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O8 -","- C18 H28 O8 -","- C36 H56 O16 -","2","1","","Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.","Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2061","","10.1039/a903961i","","","1.54184","CuKα","","0.042","0.0409","","","0.1086","0.1101","","","","","","1.056","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213103","9.621","0.01","9.499","0.011","10.262","0.007","90","","115.39","0.06","90","","847.3","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.1071","0.0843","","0.2268","0.2071","","","","1.007","1.156","1.156","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213133","8.639","0.003","7.619","0.004","9.731","0.004","90","","97.22","0.03","90","","635.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 I N -","- C12 H18 I N -","- C24 H36 I2 N2 -","2","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.0127","0.0125","","","0.0317","0.0318","","","","","","1.085","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213137","10.118","0.001","10.114","0.002","11.853","0.001","90","","104.2","0.3","90","","1175.9","1.6","298","","298","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo","Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2029","","10.1039/a905040j","","","1.54178","CuKα","","","0.04","","","0.0482","","","","","0.9783","0.9783","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213155","6.581","0.006","8.758","0.009","10.333","0.008","90","","93.88","0.08","90","","594.2","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Cr O3 S -","- C12 H10 Cr O3 S -","- C24 H20 Cr2 O6 S2 -","2","1","","Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.","The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3177","","10.1039/a905610f","","","0.71073","MoKα","","0.0287","0.0283","","","0.0777","0.0785","","","","","","1.127","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213165","11.639","0.004","6.617","0.004","13.03","0.008","90","","92.439","0.004","90","","1002.6","0.9","298","","298","","","","","","","","see paper","5","P 1 21 1","P 2yb","4","","","","- C21 H24 I N O2 -","- C21 H24 I N O2 -","- C42 H48 I2 N2 O4 -","2","1","","Davies, Stephen G.; Smyth, G. Darren; Chippindale, Ann M.","Syntheses of derivatives of L-daunosamine and its C-3 epimer employing as the key step the asymmetric conjugate addition of a homochiral lithium amide to tert-butyl (E,E )-hexa-2,4-dienoate","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3089","","10.1039/a907017f","","","0.71073","MoKα","","","0.0266","","","0.0293","","","","","1.0983","1.0983","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213169","9.087","0.003","7.841","0.004","10.648","0.003","90","","111.95","0.02","90","","703.7","0.5","293.2","","293.2","","","","","","","","-","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C28 H32 N4 O2 S2 -","2","1","","Hunt, James C. A.; Lloyd, Cephas; Moody, Christopher J.; Slawin, Alexandra M. Z.; Takle, Andrew K.","Chiral oxime ethers in asymmetric synthesis. Part 4. Asymmetric synthesis of N-protected amines and β-amino acids by the addition of organometallic reagents to ROPHy/SOPHy-derived aldoximes","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3443","","10.1039/a907186e","","","1.5418","CuKα","","0.0386","0.0386","","0.0254","","0.0254","","","2.836","","","2.836","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213176","7.99","0.01","15.168","0.002","9.7127","0.0013","90","","106.69","0.06","90","","1127.5","1.5","293","2","293","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","2,6,9,13-tetraazabicyclo[12.4.0]octadecane-2,6,9,13-tetraium tetrabromide","","- C14 H36 Br4 N4 O -","- C14 H36 Br4 N4 O -","- C28 H72 Br8 N8 O2 -","2","1","","Alfonso, Ignacio; Astorga, Covadonga; Rebolledo, Francisca; Gotor, Vicente; García-Granda, Santiago; Tesouro, Ana","Structural studies of two protonated forms of a C2 symmetrical optically active cyclam derivative","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","899","","10.1039/a904998c","","","0.71073","MoKα","","0.145","0.0467","","0.132","0.0971","","","","1.037","1.065","1.065","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213178","7.5589","0.0008","9.3566","0.0015","9.4213","0.0009","90","","96.521","0.008","90","","662.02","0.14","293","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O2 -","- C14 H16 Cl N O2 -","- C28 H32 Cl2 N2 O4 -","2","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.0355","0.027","","","0.0611","0.0643","","","","","","1.072","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213183","3.78","0.001","7.621","0.001","10.581","0.002","90","0.01","90.2","0.01","90","0.01","304.81","0.11","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C14 H12 O6 -","2","1","","Sarma, Jagarlapudi A. R. P.; Nagaraju, Akula; Majumdar, Kanak K.; Samuel, Purnima M.; Das, Indira; Roy, Sujit; McGhie, Alistair J.","Solid state nuclear bromination with N-bromosuccinimide. Part 2. Experimental and theoretical studies of reactions with some substituted benzaldehydes †","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1119","","10.1039/a905468e","","","0.7107","MoKα","","0.0399","0.0399","","0.0307","","0.0307","","","2.777","","","2.777","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213185","9.733","","15.587","","5.722","","90","","99.184","0.002","90","","856.947","0.005","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","4,7-dimethylcoumarin anti-HT photodimer","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1095","","10.1039/a906041c","","","0.71073","MoKα","","0.1746","0.119","","","0.2829","0.3015","","","","","","2.218","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213197","6.6666","0.0004","12.1266","0.0005","11.6697","0.0006","90","","96.744","0.003","90","","936.89","0.08","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 F N O2 P -","- C21 H21 F N O2 P -","- C42 H42 F2 N2 O4 P2 -","2","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0393","0.0328","","","0.0771","0.08","","","","","","1.05","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213199","9.9593","0.0007","6.5312","0.0003","12.2863","0.0009","90","","92.346","0.003","90","","798.51","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 F N O2 P -","- C17 H19 F N O2 P -","- C34 H38 F2 N2 O4 P2 -","2","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0416","0.0366","","","0.0915","0.0937","","","","","","1.034","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213209","11.431","0.005","6.047","0.001","18.286","0.006","90","","96.69","0.07","90","","1255.4","0.7","120","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C64 H60 O8 -","2","1","","Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid","Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","1053","","10.1039/a908657i","","","0.71073","MoKα","","0.1431","0.0478","","","0.1083","0.1443","","","","","","0.876","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213219","9.392","0.002","10.962","0.002","17.823","0.004","90","","94.29","0.03","90","","1829.8","0.7","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","2","","Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian","Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","913","","10.1039/a909259e","","","1.54178","CuKα","","0.0642","0.0554","","0.1571","0.1413","","","","0.942","0.941","0.941","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213248","10.08","0.002","17.853","0.003","10.185","0.002","90","","107.8","0.1","90","","1745.1","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Z-L-(alphaMe)Val-(L-Ala)2-L-(alphaMe)Val-L-Ala-OMe methanol solvate","","- C31 H51 N5 O9 -","- C31 H51 N5 O9 -","- C62 H102 N10 O18 -","2","1","","Lapeña, Yolanda; Lopez, Pilar; Cativiela, Carlos; Kaptein, Bernard; Broxterman, Quirinus B.; Kamphuis, Johan; Mossel, Eric; Peggion, Cristina; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio","Comparative conformational analysis of peptides based on the two Cα-tetrasubstituted, Cβ-branched, chiral α-amino acids (αMe)Dip and (αMe)Val †","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","631","","10.1039/a909856i","","","1.5418","CuKα","","0.0396","0.0349","","0.1079","0.1057","","","","1.074","1.098","1.098","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213251","8.5035","0.0005","10.0704","0.0009","17.6777","0.0006","90","","103.768","0.003","90","","1470.31","0.17","291","2","291","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C29 H39 N O7 Se -","- C29 H39 N O7 Se -","- C58 H78 N2 O14 Se2 -","2","1","","Kocienski, Philip; Narquizian, Robert; Raubo, Piotr; Smith, Christopher; Farrugia, Louis J.; Muir, Kenneth; Boyle, F. Thomas","Synthetic studies on the pederin family of antitumour agents. Syntheses of mycalamide B, theopederin D and pederin","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2357","","10.1039/a909898d","","","0.71073","MoKα","","0.1014","0.0361","","","0.0626","0.0774","","","","","","1.001","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213265","9.358","0.002","11.813","0.003","9.917","0.003","90","","114.44","0.02","90","","998.1","0.5","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","RWX0255/Wilson/NW-C083/5107/24-4-97.","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C48 H54 N2 O4 -","2","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.","Atropisomeric diastereoisomers from nucleophilic attack on 8-acyl-1-naphthamides","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1379","","10.1039/b000670j","","","0.71073","MoKα","","0.0279","0.0274","","","0.0726","0.0734","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213293","7.776","0.004","5.832","0.003","14.092","0.008","90","","97.65","0.05","90","","633.4","0.6","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Bhat, J. Ishwara; Clegg, William; Maskill, Howard; Elsegood, Mark R. J.; Menneer, Iain D.; Miatt, Peter C.","N-Nitroso-N,O-dialkylhydroxylamines: preparation, structure, and mechanism of the hydronium ion catalysed solvolytic nitrous oxide extrusion reaction","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1435","","10.1039/b001688h","","","0.71073","MoKα","","0.0588","0.0523","","","0.1111","0.1158","","","","","","1.298","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213303","9.7253","0.0002","8.7384","0.0002","10.9031","0.0002","90","","109.013","0.001","90","","876.03","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C32 H56 N4 O8 -","2","1","","Hammer, Kristin; Wang, Jing; Falck-Pedersen, Mette Lene; Rømming, Christian; Undheim, Kjell","Stereoselectivity in the synthesis of conformationally constrained vicinally dihydroxylated cyclic α-amino acids","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1691","","10.1039/b001779p","","","0.71073","MoKα","","0.0659","0.06","","","0.1684","0.1777","","","","","","1.084","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213307","13.724","0.003","14.03","0.004","17.657","0.005","90","","110.19","0.02","90","","3190.9","1.5","293","2","173","2","","","","","","","commercial (Fluka Chemical)","5","P 1 21 1","P 2yb","4","vinblastine sulfate","","","- C46 H58 N4 O32 S -","- C46 H58 N4 O32 S -","- C92 H116 N8 O64 S2 -","2","1","","Bau, Robert; Jin, Kevin Kai","Crystal structure of vinblastine","Journal of the Chemical Society, Perkin Transactions 1","2000","","13","2079","","10.1039/b001855o","","","0.70926","MoKα","","0.0615","0.0534","","0.1515","0.1425","","","","0.584","0.606","0.606","","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213311","5.4491","0.0011","8.7088","0.0015","14.951","0.003","90","","94.31","0.03","90","","707.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C34 H34 N2 O4 S2 -","2","1","","Ali, Akbar; Uddin Ahmad, Viqar; Leistner, Joachim; Liebscher, Jürgen","Optically active 1,5-benzothiazepin-4-ones by ring transformation of 5-ylidene-1,3-dioxan-4-ones with 2-aminothiophenol","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1897","","10.1039/b001928n","","","0.71073","MoKα","","0.0353","0.0328","","","0.0793","0.0804","","","","","","1.009","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213326","7.1046","0.0007","7.2949","0.0005","13.3142","0.0014","90","","93.036","0.012","90","","689.07","0.11","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Maison, Wolfgang; Lützen, Arne; Kosten, Marc; Schlemminger, Imre; Westerhoff, Ole; Saak, Wolfgang; Martens, Jürgen","Multicomponent synthesis of tripeptides containing pipecolic acid derivatives: selective induction of cis- and trans-imide bonds into peptide backbones","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1867","","10.1039/b002258f","","","0.71073","MoKα","","0.0348","0.0319","","","0.0837","0.0855","","","","","","1.04","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213338","8.4008","0.0005","9.9077","0.0006","11.8739","0.0008","90","","97.278","0.004","90","","980.33","0.11","200","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C38 H60 Br2 N2 O4 -","2","1","","Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony","π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2175","","10.1039/b002525i","","","0.71073","MoKα","","0.062","0.042","","0.064","0.045","0.063","","","1.179","1.129","1.129","1.129","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213355","10.571","0.0002","19.569","0.0008","13.084","0.0005","90","","101.141","0.002","90","","2655.6","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H68 Li3 N3 O20 P6 -","- C38 H68 Li3 N3 O20 P6 -","- C76 H136 Li6 N6 O40 P12 -","2","1","","Iorga, Bogdan; Ricard, Louis; Savignac, Philippe","Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3311","","10.1039/b003371p","","","0.7107","MoKα","","0.0513","0.0408","","","0.11","0.1158","","","","","","1.032","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213369","7.955","0.002","18.21","0.005","10.141","0.002","90","","90.93","0.02","90","","1468.8","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3(S)-(Acetyl-amino)-8(R)-carboxy-azacane-2-one methy ester","","- C11.5 H18.5 Cl1.5 N2 O4 -","- C11.5 H18.5 Cl1.5 N2 O4 -","- C46 H74 Cl6 N8 O16 -","4","2","","Derrer, Sam; Davies, John E.; Holmes, Andrew B.","Synthesis and conformational analysis of a type VIb β-turn mimetic based on an eight-membered lactam","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2957","","10.1039/b003791p","","","1.54178","CuKα","","0.0588","0.0513","","0.1419","0.1344","","","","1.039","1.055","1.055","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213408","8.12","0.021","12.457","0.019","12.139","0.019","90","","101.18","0.17","90","","1205","4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C50 H58 N2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.","Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3397","","10.1039/b005285j","","","0.71073","MoKα","","0.2036","0.1013","","","0.2435","0.3195","","","","","","0.945","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213416","7.15","0.009","9.834","0.011","12.116","0.013","90","","94.66","0.01","90","","849.1","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H25 N O3 Si -","- C14 H25 N O3 Si -","- C28 H50 N2 O6 Si2 -","2","1","","Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D.","A novel approach to bis-isoxazolines using a latent form of cyclopentadienone","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3592","","10.1039/b005520o","","","0.71073","MoKα","","0.0964","0.0645","","","0.1513","0.165","","","","","","1.066","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213432","6.423","0.003","11.868","0.003","14.006","0.003","90","","93.3","0.03","90","","1065.9","0.6","173.2","","173.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C42 H60 O10 Si2 -","2","1","","Banwell, Martin; Hockless, David; Jarrott, Bevyn; Kelly, Brian; Knill, Andrew; Longmore, Robert; Simpson, Gregory","Chemoenzymatic approaches to the decahydro-as-indacene cores associated with the spinosyn class of insecticide","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3555","","10.1039/b006759h","","","1.5418","CuKα","","0.0973","0.0551","","0.0538","","0.0501","","","1.964","","","2.227","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213439","10.023","0.002","11.832","0.002","10.575","0.002","90","","108.29","0.01","90","","1190.8","0.4","293","","193.2","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C21 H34 Br N O4 -","- C21 H34 Br N O4 -","- C42 H68 Br2 N2 O8 -","2","1","","Banwell, Martin G.; Ebenbeck, Wolfgang; Edwards, Alison J.","Ring-fused gem-dibromocyclopropanes as precursors to enantiomerically pure D- and L-series 3-deoxy- and 2-amino-2,3-dideoxyaldohexose derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","114","","10.1039/b008146i","","","1.5418","CuKα","","","0.036","","","","0.0421","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213444","11.362","0.001","4.873","0.0005","13.98","0.0008","90","","100.937","0.006","90","","759.97","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Boesen, Thomas; Feeder, Neil; Eastgate, Martin D.; Fox, David J.; Medlock, Jonathan A.; Tyzack, Charles R.; Warren, Stuart","The chemistry of lithiated phosphine oxides: the stereoselective synthesis of alkene-4,5-diols","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","118","","10.1039/b008500f","","","0.7107","MoKα","","0.0551","0.0425","","0.1003","0.0932","","","","1.058","1.073","1.073","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213472","10.765","0.004","9.013","0.004","12.835","0.005","90","","111.43","0.03","90","","1159.2","0.8","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Alexander (née Gillon), Karen; Cook, Stuart; Gibson, Colin L.; Kennedy†, Alan R.","Highly effective and recyclable chiral auxiliaries: a study of the synthesis and use of three 4-isopropyl-5,5-diaryloxazolidin-2-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1538","","10.1039/b102020j","","","0.71069","MoKα","","0.1243","0.0635","","","0.1583","0.189","","","","","","1.018","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213474","9.866","0.002","13.168","0.003","11.968","0.002","90","","92.55","0.03","90","","1553.3","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H38 B Fe N O2 -","- C40 H38 B Fe N O2 -","- C80 H76 B2 Fe2 N2 O4 -","2","1","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0356","0.031","","0.0728","0.0707","","","","1.036","1.048","1.048","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213477","7.3162","0.0015","11.887","0.002","12.622","0.003","90","","104.73","0.03","90","","1061.6","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H32 B Fe N O2 -","- C23 H32 B Fe N O2 -","- C46 H64 B2 Fe2 N2 O4 -","2","1","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0503","0.0447","","0.1111","0.1077","","","","1.037","1.055","1.055","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213484","15.0943","0.001","10.1836","0.0007","17.828","0.0011","90","","96.189","0.003","90","","2724.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5S)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-4'-[2R,5R)-2,5-dihydro-2- isopropyl-3,6-dimethoxypyrazine-5-spiro(cyclo-2'-penten-2'-yl]pyrazine-5- spiro(cyclo-3'-hexene)","","- C27 H40 N4 O4 -","- C27 H40 N4 O4 -","- C108 H160 N16 O16 -","4","2","","Efskind, Jon; Römming, Christian; Undheim, Kjell","Stereocontrolled construction of rigid tricyclic bis(α-amino acid) derivatives by Ru(Ii)-catalyzed cascade and Diels–Alder reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2697","","10.1039/b103254m","","","0.71073","MoKα","","0.0645","0.042","","","0.0909","0.0994","","","","","","0.953","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213507","5.9","0.002","10.151","0.003","12.088","0.003","90","","100.64","0.03","90","","711.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","H-L-(αMe)Hyv-L-Val-OMe","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C24 H46 N2 O8 -","2","1","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.0436","0.0429","","","0.1149","0.1158","","","","","","1.094","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213508","11.287","0.003","17.451","0.004","13.315","0.003","90","","105.59","0.08","90","","2526.2","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ac-L-(αMe)Hyv-L-Val-OMe","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C84 H150 N6 O30 -","6","3","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.0676","0.0641","","","0.1711","0.176","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213519","5.2634","0.0007","10.0356","0.0014","10.9997","0.0015","90","","97.184","0.002","90","","576.46","0.14","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-(1S,2R)-3-(1'S,2'S-1'-oxo-1',3'-dithian-2'-yl)cyclohexa-3,5-diene-1,2-diol","","- C10 H14 O3 S2 -","- C10 H14 O3 S2 -","- C20 H28 O6 S4 -","2","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0395","0.0364","","","0.0903","0.0921","","","","","","1.047","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213537","7.4893","0.0018","13.585","0.004","11.005","0.004","90","","99.39","0.02","90","","1104.7","0.6","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","RWX0315/Wilson/NW-C076-2/5107/28-9-98.","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Clayden, Jonathan; Pink, Jennifer H.; Westlund, Neil; Frampton, Christopher S.","Atroposelectivity in the electrophilic substitution reactions of laterally lithiated and silylated tertiary amides","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","901","","10.1039/b200358a","","","0.71073","MoKα","","0.0405","0.0363","","","0.0891","0.0917","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213730","8.0666","0.0006","16.294","0.0012","12.7096","0.001","90","","94.054","0.004","90","","1666.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup A Form S4","","","- C18 H25 N2 O -","- C18 H25 N2 O -","- C72 H100 N8 O4 -","4","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0433","0.0422","","","0.1168","0.1186","","","","","","1.042","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213772","12.208","0.002","22.96","0.005","12.372","0.003","90","","113.85","0.03","90","","3171.7","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H37 Cu Mo12 N8 O41 Si -","- C40 H32 Cu Mo12 N8 O41 Si -","- C80 H64 Cu2 Mo24 N16 O82 Si2 -","2","1","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0567","0.0525","","","0.1274","0.1321","","","","","","1.015","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213781","11.595","0.002","13.96","0.003","12.667","0.002","90","","102.092","0.003","90","","2004.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 Mn N8 O5 -","- C46 H38 Mn N8 O5 -","- C92 H76 Mn2 N16 O10 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1042","0.0717","","","0.174","0.207","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213791","9.7736","0.0004","6.5159","0.0002","11.9527","0.0005","90","","105.729","0.002","90","","732.69","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0349","0.0339","","","0.0964","0.099","","","","","","0.825","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7214110","11.0368","0.0005","8.6083","0.0004","12.0762","0.0006","90","","109.049","0.005","90","","1084.51","0.09","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-2-Pyrrolidinone","","","- C21 H21 F3 N4 O3 S -","- C21 H21 F3 N4 O3 S -","- C42 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0509","0.0435","","","0.1047","0.1109","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214112","11.7189","0.0011","8.7409","0.0006","12.0503","0.001","90","","103.353","0.01","90","","1200.99","0.18","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-Caprolactam","","","- C23 H25 F3 N4 O3 S -","- C23 H25 F3 N4 O3 S -","- C46 H50 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0595","0.0544","","","0.1495","0.1559","","","","","","1.017","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214119","10.0929","0.0003","6.337","0.0002","12.8314","0.0004","90","","100.192","0.001","90","","807.73","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C42 H32 N4 O2 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0558","0.0485","","","0.1422","0.1582","","","","","","0.785","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214129","8.459","0.003","15.354","0.006","8.964","0.003","90","","94.69","0.012","90","","1160.3","0.7","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F6 N2 P S -","- C21 H29 F6 N2 P S -","- C42 H58 F12 N4 P2 S2 -","2","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha","Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system.","Physical chemistry chemical physics : PCCP","2014","16","3","1208","1226","10.1039/c3cp53472c","","","1.54187","CuKα","","0.0656","0.0655","","","0.1692","0.1695","","","","","","1.047","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214136","6.0346","0.0001","19.3933","0.0004","7.4728","0.0002","90","","94.931","0.001","90","","871.31","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N4 O -","- C22 H18 N4 O -","- C44 H36 N8 O2 -","2","1","","Bronner, Catherine; Wenger, Oliver S.","Long-range proton-coupled electron transfer in phenol-Ru(2,2'-bipyrazine)3(2+) dyads.","Physical chemistry chemical physics : PCCP","2014","16","8","3617","3622","10.1039/c3cp55071k","","","0.71073","MoKα","","0.0384","0.0361","","","0.1011","0.1031","","","","","","1.053","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214261","11.7332","0.0004","15.2259","0.0006","16.1433","0.0006","90","","102.497","0.001","90","","2815.65","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H49 Co2 N8 O14 -","- C67 H49 Co2 N8 O14 -","- C134 H98 Co4 N16 O28 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0519","0.0452","","","0.1183","0.1237","","","","","","1.002","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214293","15.4579","0.0016","19.1439","0.0017","17.109","0.001","90","","105.241","0.006","90","","4884.9","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 O29 U4 -","- C30 H51 O29 U4 -","- C120 H204 O116 U16 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1108","0.0714","","","0.1705","0.1863","","","","","","1.022","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214295","9.2051","0.0002","19.3999","0.0003","10.3663","0.0002","90","","97.9411","0.0007","90","","1833.44","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 U -","- C15 H23 N O7 U -","- C60 H92 N4 O28 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0408","0.0379","","","0.0992","0.1009","","","","","","1.039","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214364","5.39","0.002","9.897","0.003","24.214","0.006","90","","90.699","0.013","90","","1291.6","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 pico:man","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0287","0.0271","","","0.0695","0.0708","","","","","","1.066","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214366","8.161","0.003","19.967","0.006","14.987","0.005","90","","95.599","0.006","90","","2430.5","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0518","0.0424","","","0.0924","0.0976","","","","","","1.028","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214367","8.1092","0.0002","19.7095","0.0007","15.5832","0.0005","90","","93.14","0.002","90","","2486.9","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","1.54178","CuKα","","0.0382","0.035","","","0.09","0.0931","","","","","","1.031","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214368","7.966","0.003","19.688","0.006","15.559","0.005","90","","92.608","0.005","90","","2437.7","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.2761","0.0773","","","0.1141","0.1777","","","","","","0.93","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214369","8.015","0.002","19.658","0.005","15.418","0.004","90","","93.118","0.004","90","","2425.6","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.1287","0.0696","","","0.1238","0.1522","","","","","","0.966","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214370","8.2469","0.0006","20.1562","0.0015","15.1218","0.0011","90","","95.938","0.001","90","","2500.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0773","0.0443","","","0.0964","0.1106","","","","","","1.012","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214371","8.116","0.009","19.78","0.02","15.801","0.018","90","","92.685","0.015","90","","2534","5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.3908","0.0816","","","0.109","0.1962","","","","","","0.904","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214393","6.4428","0.0003","13.612","0.002","11.8759","0.0012","90","","91.722","0.005","90","","1041.04","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-TMBEDT axial","","","- C14 H16 S8 -","- C14 H16 S8 -","- C28 H32 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0733","0.0405","","","0.0926","0.1077","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214397","13.4068","0.0004","5.1484","0.0001","22.4161","0.0006","90","","101.16","0.001","90","","1517.98","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S,S,S,S Bis(pentane-2,4-dithio)TTF.tetrafluoro-TCNQ","","- C28 H20 F4 N4 S8 -","- C28 H20 F4 N4 S8 -","- C56 H40 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0486","0.0412","","","0.0962","0.1003","","","","","","1.036","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214398","5.6084","0.0004","8.6087","0.0007","27.868","0.002","90","","90.489","0.004","90","","1345.45","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(ethylenedithio)(2S,4S-pentane-2,4-dithio)TTF. tetrafluoro-TCNQ molecular complex","","- C25 H14 F4 N4 S8 -","- C25 H14 F4 N4 S8 -","- C50 H28 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0726","0.0504","","","0.1136","0.1254","","","","","","1.058","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214617","5.159","0.003","18.175","0.006","12.684","0.004","90","","93.77","0.03","90","","1186.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","R-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","2","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1255","0.0695","","","0.1523","0.1791","","","","","","1.033","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214620","11.144","0.0002","11.45","0.0002","14.8721","0.0003","90","","92.6884","0.0011","90","","1895.57","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((2,6-dimethylphenyl)amino)-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","2-[(2,6-dimethylphenyl)amino]-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","2","","Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna; Matulková, Irena; Němec, Ivan; Tesařová, Naďa; Němec, Petr","Lidocaine barbiturate: a promising material for second harmonic generation","CrystEngComm","2013","15","17","3275","","10.1039/c3ce00059a","","","0.71073","MoKα","","0.0407","0.0373","","","0.0894","0.0908","","","","","","1.141","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214679","7.6393","0.0008","11.5121","0.0012","9.0174","0.001","90","","99.305","0.001","90","","782.59","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 Cd2 O16 -","- C8 H16 Cd2 O16 -","- C16 H32 Cd4 O32 -","2","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0197","0.0184","","","0.0414","0.042","","","","","","1.013","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214707","11.09","0.002","7.422","0.003","22.999","0.002","90","","92.998","0.004","90","","1890.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","2","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71073","MoKα","","0.0702","0.043","","","0.0938","0.1164","","","","","","1.023","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214732","10.9016","0.0015","22.154","0.003","13.0426","0.0019","90","","103.073","0.006","90","","3068.3","0.7","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","(Mn4(H2O)6(L2)(B1)2)-DMF-5(H2O)","[Mn4(H2O)6(L2)(B1)2]-DMF-5(H2O)","","- C52 H61 Mn4 N11 O28 -","- C52 H46 Mn4 N11 O28 -","- C104 H92 Mn8 N22 O56 -","2","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.1053","0.0916","","","0.2463","0.2605","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214777","5.0331","0.0003","33.007","0.002","5.5043","0.0003","90","","99.24","0.004","90","","902.55","0.09","155","2","155","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.033","0.0299","","","0.0678","0.0692","","","","","","1.352","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214833","4.4","0.005","18.068","0.005","8.581","0.005","90","","96.077","0.005","90","","678.3","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium 5-iodosalicylate monohydrate","4-aminopyridinium 5-iodosalicylate monohydrate","","- C12 H13 I N2 O4 -","- C12 H13 I N2 O4 -","- C24 H26 I2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0165","0.0162","","","0.0386","0.0388","","","","","","1.066","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214834","10.9737","0.0005","4.5752","0.0002","11.9808","0.0005","90","","96.809","0.003","90","","597.28","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium 3-nitrosalicylate","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0819","0.0587","","","0.1093","0.1219","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214838","4.4573","0.0005","17.317","0.002","8.484","0.0007","90","","97.333","0.007","90","","649.5","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium_5-chlorosalicylate_hydrate","4-aminopyridinium_5-chlorosalicylate_hydrate","","- C12 H13 Cl N2 O4 -","- C12 H13 Cl N2 O4 -","- C24 H26 Cl2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.102","0.0578","","","0.1126","0.1316","","","","","","0.992","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214845","10.402","0.002","18.512","0.004","12.824","0.003","90","","100.298","0.003","90","","2429.6","0.9","293","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag3 B3 F12 N8 O4 -","- C36 H56 Ag3 B3 F12 N8 O4 -","- C72 H112 Ag6 B6 F24 N16 O8 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1107","0.0694","","","0.0869","0.0981","","","","","","1.097","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214846","13.6526","0.0014","17.5146","0.0017","19.2169","0.0019","90","","93.667","0.001","90","","4585.7","0.8","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H104 Ag5 B4 F16 N17 O6 -","- C73 H104 Ag5 B4 F16 N17 O6 -","- C146 H208 Ag10 B8 F32 N34 O12 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0921","0.0572","","","0.1241","0.1448","","","","","","1.017","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214906","15.2093","0.0005","11.5727","0.0004","15.7952","0.0004","90","","93.599","0.002","90","","2774.67","0.15","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H59 Ce N28 O31 -","- C39 H50 Ce N28 O31 -","- C78 H100 Ce2 N56 O62 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0735","0.0718","","","0.1949","0.1961","","","","","","1.073","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214908","14.7871","0.0001","26.7248","0.0003","16.7471","0.0002","90","","90.3591","0.0005","90","","6618.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H75 N28 O37 S Yb -","- C41 H51 N28 O37 S Yb -","- C164 H204 N112 O148 S4 Yb4 -","4","2","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0609","0.0567","","","0.1517","0.1542","","","","","","1.087","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214936","3.9462","0.0002","28.9809","0.0011","5.2402","0.0002","90","","95.337","0.002","90","","596.69","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0532","0.0496","","","0.1323","0.1371","","","","","","1.061","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214993","12.7246","0.0012","5.2978","0.0003","13.1688","0.0009","90","","106.129","0.008","90","","852.8","0.12","107.4","0.2","107.4","0.2","","","","","","","Crystal Screening","5","P 1 21 1","P 2yb","4","lamivudine salicylate monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one salicylate monohydrate","","- C15 H19 N3 O7 S -","- C15 H19 N3 O7 S -","- C30 H38 N6 O14 S2 -","2","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","1.54184","CuKα","","0.0598","0.0429","","","0.0933","0.1063","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215101","9.5801","0.0007","8.9412","0.0006","11.6254","0.0008","90","","114.221","0.001","90","","908.14","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O Pt -","- C21 H20 N2 O Pt -","- C42 H40 N4 O2 Pt2 -","2","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0427","0.0341","","","0.0682","0.0796","","","","","","1.101","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215106","12.2118","0.001","9.2324","0.0005","13.7527","0.0014","90","","114.505","0.004","90","","1410.9","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N28 O11 -","- C13 H18 N28 O11 -","- C26 H36 N56 O22 -","2","1","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0442","0.037","","","0.0829","0.0866","","","","","","1.002","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215128","3.7658","0.0016","22.03","0.009","5.801","0.002","90","","94.516","0.005","90","","479.8","0.3","90","2","90","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","2-(2'-hydroxyphenyl)benzimidazole","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi","Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy.","Physical chemistry chemical physics : PCCP","2012","14","47","16448","16457","10.1039/c2cp42686b","","x-ray","0.71073","MoKα","","0.0503","0.0459","","","0.1064","0.1092","","","","","","1.065","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215221","5.0077","0.0009","30.877","0.006","7.4685","0.0014","90","","90.117","0.002","90","","1154.8","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0616","0.0603","","","0.1569","0.1578","","","","","","1.104","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215263","9.8494","0.0018","3.8718","0.0007","13.972","0.002","90","","96.018","0.01","90","","529.88","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C24 H18 Br2 N4 O2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0908","0.0806","","","0.1669","0.1746","","","","","","1.163","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215333","10.94","0.002","8.214","0.002","13.556","0.003","90","","99.132","0.017","90","","1202.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1048","0.0654","","","0.1924","0.2383","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215335","10.8319","0.0016","8.396","0.0012","13.5792","0.0019","90","","98.66","0.003","90","","1220.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0581","0.0375","","","0.089","0.0967","","","","","","1.045","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215348","7.5724","0.0002","12.3856","0.0003","8.0889","0.0002","90","","94.12","0.002","90","","756.69","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H12 Ga2 N2 Se7 -","- C3 H12 Ga2 N2 Se7 -","- C6 H24 Ga4 N4 Se14 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0342","0.0279","","","0.0534","0.0541","","","","","","1","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215357","5.47942","0.00018","4.65117","0.00016","10.4691","0.0003","90","","94.937","0.003","90","","265.823","0.015","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methylammonium metaarsenate(III) hydrate","","- C H8 As N O3 -","- C H8 As N O3 -","- C2 H16 As2 N2 O6 -","2","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0188","0.0172","","","0.0423","0.0426","","","","","","1.039","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215358","4.7049","0.0004","18.8608","0.0016","6.1721","0.0005","90","","91.821","0.009","90","","547.42","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethanolammonium metaarsenate(III)","","- C2 H8 As N O3 -","- C2 H8 As N O3 -","- C8 H32 As4 N4 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0505","0.0396","","","0.0765","0.0799","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215480","8.405","0.011","16.69","0.02","9.156","0.013","90","","117.32","0.08","90","","1141","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C46 H74 N2 O12 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0673","0.063","","","0.1606","0.1643","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215689","6.745","0.005","13.836","0.009","18.393","0.012","90","","95.38","0.011","90","","1709","2","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Monohydrate","","","- C18 H22 F N3 O5 -","- C18 H22 F N3 O5 -","- C72 H88 F4 N12 O20 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0768","0.061","","","0.1431","0.151","","","","","","1.069","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215691","6.83","0.004","34.84","0.02","9.908","0.006","90","","105.713","0.012","90","","2270","2","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Maleic acid salt","","","- C22 H20 F N3 O8 -","- C22 H20 F N3 O8 -","- C88 H80 F4 N12 O32 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1829","0.0869","","","0.1726","0.2264","","","","","","1.025","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215696","9.9165","0.0006","13.0528","0.0007","10.9693","0.0007","90","","101.633","0.006","90","","1390.68","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mn N2 O5 -","- C12 H8 Mn N2 O5 -","- C48 H32 Mn4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.138","0.0725","","","0.1713","0.2182","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215697","9.846","0.0012","12.8415","0.0013","10.9975","0.0013","90","","99.39","0.012","90","","1371.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0927","0.066","","","0.1697","0.1923","","","","","","1.054","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215741","13.982","0.003","6.4735","0.0015","15.002","0.004","90","","100.43","0.003","90","","1335.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-({((1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl}sulfonyl)ethanol","","- C12 H22 O3 S -","- C12 H22 O3 S -","- C48 H88 O12 S4 -","4","2","","Lodochnikova, Olga A.; Startseva, Valeriya A.; Nikitina, Liliya E.; Bodrov, Andrei V.; Klimovitskii, Alexander E.; Klimovitskii, Evgenii N.; Litvinov, Igor A.","When two symmetrically independent molecules must be different: “Crystallization-induced diastereomerization” of chiral pinanyl sulfone","CrystEngComm","2014","16","20","4314","","10.1039/c3ce42642d","","x-ray","0.71073","MoKα","","0.131","0.0601","","","0.1446","0.1743","","","","","","0.975","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215742","6.7596","0.0002","31.6474","0.0008","7.9922","0.0003","90","","108.548","0.003","90","","1620.91","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H F4 I O2 -","- C7 H F4 I O2 -","- C56 H8 F32 I8 O16 -","8","4","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.035918","0.034122","","","0.0808","0.084841","","","","","","1.04612","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215763","4.6927","0.0003","13.1132","0.001","14.7084","0.0014","90","","90.09","0.006","90","","905.1","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-3[1-(3,4,5-trimethoxy-benzylimino)-ethyl]chromen-2-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C42 H42 N2 O12 -","2","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0574","0.0337","","","0.0536","0.0564","","","","","","0.8","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215793","9.2879","0.0003","11.9733","0.0003","16.3513","0.0005","90","","101.709","0.0016","90","","1780.54","0.09","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 Cd N3 O6 -","- C15 H21 Cd N3 O6 -","- C60 H84 Cd4 N12 O24 -","4","2","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0398","0.0328","","","0.0653","0.0685","","","","","","1.061","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215798","8.6838","0.0017","14.33","0.003","9.2084","0.0018","90","","103.72","0.03","90","","1113.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 B F2 N O8 -","- C19 H31 B F2 N O8 -","- C38 H62 B2 F4 N2 O16 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.0952","0.0537","","","0.1117","0.1283","","","","","","1.023","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215830","5.2575","0.0006","22.8695","0.0016","7.9917","0.0009","90","","90.61","0.013","90","","960.84","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0661","0.0585","","","0.1514","0.1591","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215865","9.1075","0.001","33.618","0.004","11.0207","0.0012","90","","107.945","0.002","90","","3210.1","0.6","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.5 H57 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C65.5 H55 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C131 H110 Cl5 F6 Fe2 N24 O25 P -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1352","0.0823","","","0.2049","0.2357","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215880","5.5482","0.0002","12.026","0.0005","8.5725","0.0003","90","","104.639","0.0024","90","","553.41","0.04","298","2","298","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.044","0.0407","","","0.1048","0.1083","","","","","","1.074","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215881","5.4672","0.002","11.978","0.0029","8.5397","0.002","90","","105.327","0.0018","90","","539.3","0.3","100","2","100","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0413","0.0403","","","0.1035","0.1053","","","","","","1.068","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215884","10.432","0.001","20.6","0.003","27.012","0.005","90","","98.2","0.05","90","","5745.5","1.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","ctd_cwbpy","","","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C229 H230 Cl4 N20 O42 P8 Ru4 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0767","0.0469","","","0.108","0.1184","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215890","9.4508","0.0004","5.9725","0.0002","18.9525","0.0007","90","","103.814","0.002","90","","1038.83","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen D-tyrosine","(+)-(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","powder diffraction","x-ray","0.823065","","","","","","","","","","8.9902","32.9759","","","","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215923","6.944","0.0007","28.891","0.003","6.9559","0.0008","90","","95.357","0.004","90","","1389.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O10 S2 -","- C23 H34 N6 O10 S2 -","- C46 H68 N12 O20 S4 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0452","0.0412","","","0.1043","0.1176","","","","","","1.105","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215960","8.863","0.001","23.742","0.002","8.907","0.001","90","","116.86","0.01","90","","1672.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl2 Mg N4 O8 -","- C22 H48 Cl2 Mg N4 O8 -","- C44 H96 Cl4 Mg2 N8 O16 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0695","0.0528","","","0.1382","0.1503","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215963","5.9482","0.0008","9.0116","0.0008","17.114","0.002","90","","99.35","0.012","90","","905.17","0.18","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","co-crystals","","","- C10 H18 Ca Cl2 F2 N2 O4 -","- C10 H18 Ca Cl2 F2 N2 O4 -","- C20 H36 Ca2 Cl4 F4 N4 O8 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","0.71073","MoKα","","0.1012","0.0795","","","0.1603","0.1704","","","","","","1.124","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216050","5.0868","0.0003","13.0628","0.0008","10.9758","0.0007","90","","90.99","0.007","90","","729.21","0.08","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.1062","","","","0.3323","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216092","8.0833","0.0007","11.5444","0.001","10.5565","0.0009","90","","108.335","0.002","90","","935.09","0.14","87","2","87","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H13 Cu N2 O8 P2 V -","- C16 H13 Cu N2 O8 P2 V -","- C32 H26 Cu2 N4 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0316","0.0303","","","0.078","0.0788","","","","","","1.023","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216179","12.374","0.003","7.6754","0.0015","12.714","0.003","90","","107.15","0.03","90","","1153.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.0761","0.0489","","","0.1206","0.1456","","","","","","1.217","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216180","10.5665","0.001","7.6596","0.0007","12.8714","0.0011","90","","106.949","0.002","90","","996.5","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O8 -","- C18 H28 N2 O8 -","- C36 H56 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1041","0.0816","","","0.2045","0.2254","","","","","","1.027","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216185","7.859","0.004","7.981","0.004","23.406","0.012","90","","92.401","0.009","90","","1466.8","1.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","2","","Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong","Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones","Green Chemistry","2014","16","8","3715","","10.1039/C4GC00840E","","","0.71073","MoKα","","0.1756","0.1541","","","0.498","0.5295","","","","","","1","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216240","12.298","","8.762","","19.691","","90","","102.16","","90","","2074.2","","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H56 Ca2 N6 O32 P2 -","- C18 H24 Ca2 N6 O32 P2 -","- C36 H48 Ca4 N12 O64 P4 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0453","0.0437","","","0.1262","0.129","","","","","","1.068","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216291","7.7049","0.0003","6.3055","0.0004","12.133","0.0008","90","","98.964","0.004","90","","582.26","0.06","173","","","","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","MoKα","","0.0541","0.039","","","0.0816","0.0882","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216307","6.671","0.002","16.939","0.008","12.941","0.004","90","","93.88","0.03","90","","1459","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 B2 Cu2 F8 N4 S4 -","- C16 H28 B2 Cu2 F8 N4 S4 -","- C32 H56 B4 Cu4 F16 N8 S8 -","2","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.7107","MoKα","","0.0451","0.0395","","","0.1021","0.1057","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216313","12.243","0.002","4.905","0.002","31.957","0.003","90","","96.34","0.03","90","","1907.3","0.9","293","2","293","2","","","","","","","From LKF","6","P 1 21 1","P 2yb","4","benzthiazide-monohydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide monohydrate","","- C15 H16 Cl N3 O5 S3 -","- C15 H16 Cl N3 O5 S3 -","- C60 H64 Cl4 N12 O20 S12 -","4","2","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","1.54178","CuKα","","0.1084","0.055","","","0.1239","0.1443","","","","","","0.883","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216349","14.904","0.004","14.159","0.003","21.949","0.005","90","","99.879","0.003","90","","4563.1","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H106 N10 O9 Zn2 -","- C98 H98 N10 O8 Zn2 -","- C196 H196 N20 O16 Zn4 -","2","1","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1002","0.0787","","","0.2032","0.2271","","","","","","1.021","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216350","10.372","0.007","22.684","0.014","18.375","0.011","90","","104.44","0.01","90","","4187","5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 N5 O3 Zn -","- C45 H39 N5 O3 Zn -","- C180 H156 N20 O12 Zn4 -","4","2","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1955","0.1136","","","0.2384","0.299","","","","","","1.046","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216417","8.6821","0.0008","29.796","0.003","12.8045","0.0012","90","","96.432","0.002","90","","3291.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*dibenzocrown + 1.5K+","","","- C73 H80 K1.5 O20 -","- C73 H75 K1.5 O20 -","- C146 H150 K3 O40 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1106","0.071","","","0.138","0.1556","","","","","","1.073","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216422","12.579","0.015","24.34","0.02","14.063","0.013","90","","109.3","0.04","90","","4064","7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H53 N5 O11 -","- C37 H53 N5 O11 -","- C148 H212 N20 O44 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0612","0.0565","","","0.1588","0.163","","","","","","1.28","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216423","11.6087","0.0013","21.608","0.003","14.0422","0.0016","90","","105.152","0.002","90","","3399.9","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 N5 O11.5 -","- C29 H44 N5 O11.5 -","- C116 H176 N20 O46 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0996","0.0631","","","0.1362","0.1687","","","","","","1.05","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7216497","3.7592","0.0013","27.082","0.009","6.551","0.002","90","","90.735","0.008","90","","666.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","4-nitrobenzoic acid + quinoline","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0837","0.047","","","0.0901","0.1029","","","","","","0.99","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216530","15.206","0.006","5.766","0.002","19.37","0.008","90","","111.189","0.005","90","","1583.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C76 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1402","0.0753","","","0.1128","0.1353","","","","","","1.008","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216531","8.029","0.004","6.118","0.003","28.045","0.014","90","","93.99","0.007","90","","1374.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-Naproxen-Piperidine","","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1382","0.0799","","","0.136","0.167","","","","","","1.021","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216536","10.756","0.009","5.79","0.004","13.363","0.009","90","","107.859","0.008","90","","792.1","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.0133","0.0131","","","0.0332","0.0332","","","","","","1.088","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216682","7.0404","0.0003","13.0015","0.0006","13.7338","0.0006","90","","100.881","0.001","90","","1234.53","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 La2 N6 O14 S3 -","- C12 La2 N6 O14 S3 -","- C24 La4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0283","0.0279","","","0.0908","0.091","","","","","","1.102","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216683","6.975","0.005","12.901","0.008","13.551","0.009","90","","100.729","0.011","90","","1198.1","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 Ce2 N6 O14 S3 -","- C12 Ce2 N6 O14 S3 -","- C24 Ce4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0766","0.0718","","","0.1759","0.1796","","","","","","1.007","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216709","7.1","0.005","23.968","0.005","10.935","0.005","90","","103.945","0.005","90","","1806","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0406","0.0328","","","0.0731","0.0753","","","","","","1.009","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216715","7.104","0.005","23.968","0.005","10.941","0.005","90","","103.958","0.005","90","","1807.9","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0403","0.0318","","","0.071","0.0732","","","","","","0.998","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216716","7.103","0.005","23.963","0.005","10.942","0.005","90","","103.964","0.005","90","","1807.4","1.6","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.042","0.0327","","","0.0719","0.0742","","","","","","0.987","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216717","7.101","0.005","23.928","0.005","10.936","0.005","90","","103.958","0.005","90","","1803.3","1.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0522","0.0404","","","0.0988","0.1034","","","","","","0.983","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216726","11.6984","0.0005","19.793","0.0008","25.4741","0.0011","90","","92.012","0.002","90","","5894.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H44 N4 O7 P2 -","- C20.9975 H44 N4 O7 P2 -","- C167.98 H352 N32 O56 P16 -","8","4","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0888","0.0485","","","0.1033","0.1211","","","","","","0.995","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216861","10.6696","0.0013","13.6752","0.0017","11.3635","0.0014","90","","102.968","0.006","90","","1615.7","0.3","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H45 O11 -","- C34 H45 O11 -","- C68 H90 O22 -","2","1","","Haldar, Saikat; Kolet, Swati P.; Dandekar, Devdutta S.; Kale, Balaji S.; Gonnade, Rajesh G.; Thulasiram, Hirekodathakallu V.","Biocatalyst mediated functionalization of salannin, an insecticidal limonoid","RSC Advances","2014","4","53","27661","","10.1039/c4ra04652h","","","0.71073","MoKα","","0.0752","0.0567","","","0.1369","0.151","","","","","","1.039","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216876","9.968","0.002","10.083","0.002","12.633","0.001","90","","105.15","0.01","90","","1225.6","0.4","193.2","","193.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O9 -","- C25 H30.22 O9 -","- C50 H60.44 O18 -","2","1","","Banwell, Martin G.; McRae, Kenneth J.; Willis, Anthony C.","A chemoenzymatic synthesis of the carbobicyclic core associated with CP-225,917 and CP-263,114 (phomoidrides A and B)","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2194","","10.1039/b105376k","","","1.5418","CuKα","","0.0567","0.0525","","0.0444","","0.044","","","2.839","","","2.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216877","6.794","0.005","8.125","0.006","11.675","0.004","90","","103.6","0.04","90","","626.4","0.7","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Matsuyama, Haruo; Itoh, Nobuhiro; Matsumoto, Aoi; Ohira, Nahoko; Hara, Kenji; Yoshida, Masato; Iyoda, Masahiko","Conjugate addition of 6-membered hydrazine to chiral tert-butyl (E)-2-(p-tolylsulfinyl)cinnamates. Synthesis of (S)-celacinnine","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2924","","10.1039/b107443c","","","0.7107","MoKα","","","0.0453","","","","0.0646","","","","","","1.246","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216880","13.645","0.002","6.18","0.001","18.791","0.003","90","","94.73","0.01","90","","1579.2","0.4","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 N O3 Si -","- C13 H23 N O3 Si -","- C52 H92 N4 O12 Si4 -","4","2","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.1247","0.0678","","","0.1551","0.188","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216901","7.445","0.002","10.865","0.002","13.339","0.001","90","","100.69","0.01","90","","1060.3","0.4","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O Se -","- C23 H27 N O Se -","- C46 H54 N2 O2 Se2 -","2","1","","Murai, Toshiaki; Suzuki, Akiko; Kato, Shinzi","Aldol-type condensation reactions of lithium eneselenolates generated from selenoamides with aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2711","","10.1039/b100198l","","","0.7107","MoKα","","","0.0487","","","","0.068","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216911","9.599","0.012","6.542","0.008","12.017","0.014","90","","99.615","0.01","90","","744","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Harwood, Laurence M.; Drew, Michael G. B.; Hughes, David J.; Vickers, Richard J.","Diastereocontrolled Strecker reaction using (S)-5-phenylmorpholin-2-one","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1581","","10.1039/b104052a","","","0.71073","MoKα","","0.1018","0.0686","","","0.1937","0.2227","","","","","","0.717","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216966","7.111","0.001","6.863","0.001","13.231","0.003","90","","90","0.03","90","","645.7","0.2","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C28 H24 N4 O6 S2 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.71073","MoKα","","0.0361","0.0276","","","0.0603","0.0623","","","","","","0.936","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216981","7.2182","0.0001","16.6646","0.0003","13.4314","0.0001","90","","103.884","0.001","90","","1568.44","0.04","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","2,2''',5,5'''-tetramethoxy-4,4'''-dimethylquaterphenyl hexachloroantimonate","","- C30 H30 Cl6 O4 Sb -","- C30 H30 Cl6 O4 Sb -","- C60 H60 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0839","0.0461","","0.0776","0.0675","","","","1.008","1.038","1.038","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216991","15.215","0.001","15.862","0.001","15.417","0.001","90","","116.79","0.01","90","","3321.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(R)-1-cyclohexylethyl]amino-beta-cyclodextrin","6-deoxy-6-[(R)-1-cyclohexylethyl]aminocyclomaltoheptaose","","- C50 H101 N O42 -","- C100 H122 N2 O84 -","- C100 H122 N2 O84 -","1","0.5","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0824","0.0647","","","0.1892","0.2066","","","","","","1.071","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216992","15.019","0.002","9.115","0.001","25.988","0.005","90","","101.96","0.01","90","","3480.5","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(R)-1-phenylrthyl]amino-beta-cyclodextrin","6-deoxy-6-[(R)-1-phenylethyl]aminocyclomaltoheptaose","","- C54 H105 N O43 -","- C105.24 H102 N2 O87.24 -","- C105.24 H102 N2 O87.24 -","1","0.5","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0801","0.0739","","","0.1968","0.2061","","","","","","1.086","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216993","15.519","0.001","10.124","0.002","23.519","0.004","90","","102.67","0.01","90","","3605.2","1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indanyl]amino-beta-cyclodextrin","6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indamyl]aminocyclomaltoheptaose","","- C51 H108 N O50 -","- C51 H75 N O49.66 -","- C102 H150 N2 O99.32 -","2","1","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0691","0.0668","","","0.1824","0.1875","","","","","","1.048","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7217008","5.288","0.0001","31.171","0.002","11.312","0.001","90","","90.158","0.002","90","","1864.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11.5 Br0.5 N O2 -","- C9 H11.5 Br0.5 N O2 -","- C72 H92 Br4 N8 O16 -","8","4","","Surekha, R.; Gunaseelan, R.; Sagayaraj, P.; Ambujam, K.","l-Phenylalaninel-phenylalaninium bromide ‒ a new nonlinear optical material","CrystEngComm","2014","16","34","7979","","10.1039/C4CE00718B","","","0.71073","MoKα","","0.0799","0.0578","","","0.1379","0.1475","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217011","4.89","0.0001","13.3653","0.0004","15.1691","0.0004","90","","92.897","0.002","90","","990.13","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","2","","Yu, Hongchuan; Schlegel, Mark K.; McLaughlin, Larry W.","The synthesis and structural characterization of both diastereomers of 5’-(hydroxymethyl)-6,5’-cyclo-2’,5’-dideoxyuridine cyclonucleosides","RSC Advances","2014","","","","","10.1039/c4ra04784b","","","0.71073","MoKα","","0.0328","0.0294","","","0.0713","0.0732","","","","","","1.044","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217012","7.8546","0.0006","5.0786","0.0004","12.4411","0.0009","90","","102.701","0.005","90","","484.14","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","","Yu, Hongchuan; Schlegel, Mark K.; McLaughlin, Larry W.","The synthesis and structural characterization of both diastereomers of 5’-(hydroxymethyl)-6,5’-cyclo-2’,5’-dideoxyuridine cyclonucleosides","RSC Advances","2014","","","","","10.1039/c4ra04784b","","","1.54178","CuKα","","0.0297","0.0288","","","0.0755","0.0763","","","","","","1.063","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217023","9.6133","0.0002","45.6542","0.0012","10.5801","0.0003","90","","113.202","0.001","90","","4267.92","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H39 N4 Ni O8.5 P2 S4 -","- C38 H39 N4 Ni O8.5 P2 S4 -","- C152 H156 N16 Ni4 O34 P8 S16 -","4","2","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.0894","0.0587","","","0.1199","0.1325","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217040","7.4137","0.0004","13.3645","0.0007","13.4407","0.0007","90","","103.816","0.002","90","","1293.18","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(Hser-5Cl-sal)2(H2O)].CH3OH","","","- C21 H26 Cl2 Cu2 N2 O10 -","- C21 H26 Cl2 Cu2 N2 O10 -","- C42 H52 Cl4 Cu4 N4 O20 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0213","0.0202","","","0.0408","0.041","","","","","","1.148","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217047","10.3863","0.0012","12.9737","0.0015","10.8834","0.0013","90","","113.582","0.001","90","","1344.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N4 O10 -","- C26 H24 Cd2 N4 O10 -","- C52 H48 Cd4 N8 O20 -","2","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0191","0.0182","","","0.0388","0.0391","","","","","","1.032","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217070","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217104","7.814","0.003","15.498","0.005","7.815","0.003","90","","92.911","0.015","90","","945.2","0.6","298","","298","","","","","","","","hydrothermal reaction","6","P 1 21 1","P 2yb","4","","","","- C3 H6 As3 N3 O13 Zn4 -","- C3 As3 N3 O13 Zn4 -","- C6 As6 N6 O26 Zn8 -","2","1","","Harrison, William T. A.; Phillips, Mark L. F.; Chavez, Alejandra V.; Nenoff, Tina M.","Syntheses and structures of the openframework phases (CH3NH3)3·Zn4O(AsO4)3 and (CH3NH3)3·Zn4O(PO4)3 related to the M3Zn4O(XO4)3·nH2O family","Journal of Materials Chemistry","1999","9","12","3087","","10.1039/a906009j","","","0.71073","MoKα","","","0.0301","","","0.0398","","","","","0.2861","0.2861","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217105","7.6569","0.0005","15.241","0.001","7.6589","0.0005","90","","92.74","0.001","90","","892.76","0.1","298","","298","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C3 N3 O13 P3 Zn4 -","- C3 N3 O13 P3 Zn4 -","- C6 N6 O26 P6 Zn8 -","2","1","","Harrison, William T. A.; Phillips, Mark L. F.; Chavez, Alejandra V.; Nenoff, Tina M.","Syntheses and structures of the openframework phases (CH3NH3)3·Zn4O(AsO4)3 and (CH3NH3)3·Zn4O(PO4)3 related to the M3Zn4O(XO4)3·nH2O family","Journal of Materials Chemistry","1999","9","12","3087","","10.1039/a906009j","","","0.71073","MoKα","","","0.0807","","","0.096","","","","","2.0548","2.0548","","","","","has coordinates","189826","2020-10-21","18:00:00",""
"7217167","12.864","0.004","16.167","0.005","17.506","0.005","90","","95.271","0.004","90","","3625.4","1.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H33 Cu N3 O0.5 P2 S3 -","- C39 H33 Cu N3 O0.5 P2 S3 -","- C156 H132 Cu4 N12 O2 P8 S12 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0675","0.0495","","","0.1119","0.1213","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217193","6.2427","0.0012","19.473","0.004","11.986","0.002","90","","104.37","0.003","90","","1411.5","0.5","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","2","","Cheng, Xiangrong; Shao, Wen-Hao; Zhang, Shoude; Wang, Guowei; Shan, Lei; Shen, Yunheng; Sun, Qingyan; Jin, Huizi; Zhang, Weidong","Winolides A-C, bioactive sesquiterpene lactones with unusual 5,6-secoeudesmane frameworks from Inula wissmanniana","RSC Advances","2014","","","","","10.1039/C4RA05131A","","","0.71073","MoKα","","0.0497","0.0353","","","0.0835","0.0878","","","","","","1.025","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217194","6.2368","0.0015","19.469","0.005","11.972","0.003","90","","104.381","0.004","90","","1408.1","0.6","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","2","","Cheng, Xiangrong; Shao, Wen-Hao; Zhang, Shoude; Wang, Guowei; Shan, Lei; Shen, Yunheng; Sun, Qingyan; Jin, Huizi; Zhang, Weidong","Winolides A-C, bioactive sesquiterpene lactones with unusual 5,6-secoeudesmane frameworks from Inula wissmanniana","RSC Advances","2014","","","","","10.1039/C4RA05131A","","","0.71073","MoKα","","0.0915","0.0418","","","0.0802","0.0957","","","","","","0.927","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217201","15.7215","0.0016","12.0839","0.0012","16.2077","0.0017","90","","106.856","0.002","90","","2946.8","0.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H72 Cl0 Mo2 N2 O8 -","- C68 H72 Mo2 N2 O8 -","- C136 H144 Mo4 N4 O16 -","2","1","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0513","0.0428","","","0.0863","0.091","","","","","","1.014","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217269","18.129","0.003","12.883","0.002","18.871","0.003","90","","98.154","0.002","90","","4362.9","1.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H46 Cl2 O6 P2 Zn -","- C44 H46 Cl2 O6 P2 Zn -","- C176 H184 Cl8 O24 P8 Zn4 -","4","2","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1553","0.0551","","","0.1185","0.1443","","","","","","0.829","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217306","8.351","0.003","44.438","0.017","11.41","0.004","90","","98.532","0.005","90","","4187","3","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel","","- C45 H57 N O14 -","- C45 H57 N O14 -","- C180 H228 N4 O56 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1306","0.0989","","","0.2557","0.276","","","","","","1.051","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217307","8.506","0.005","45.16","0.02","11.675","0.006","90","","98.362","0.004","90","","4437","4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel hemihydrate","","- C45 H57.5 N O14.25 -","- C45 H57.5 N O14.25 -","- C180 H230 N4 O57 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1349","0.1002","","","0.2622","0.2838","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217308","12.542","0.002","8.6716","0.0016","42.09","0.008","90","","89.987","0.002","90","","4577.7","1.4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel ethanol solvate hemihydrate","","- C47 H63 N O15.5 -","- C47 H63 N O15.5 -","- C188 H252 N4 O62 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0575","0.0549","","","0.143","0.1456","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217309","11.778","0.005","17.208","0.007","12.339","0.005","90","","109.747","0.005","90","","2353.8","1.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel tetrahydrofurane solvate","","- C45 H57 N O14 -","- C48.5 H64.02 N O15 -","- C97 H128.04 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1093","0.0869","","","0.1698","0.1789","","","","","","1.126","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217310","11.725","0.002","17.328","0.003","12.449","0.002","90","","110.453","0.002","90","","2369.8","0.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel Acetone Solvate","","- C48 H63 N O15 -","- C48 H63 N O15 -","- C96 H126 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0334","0.0317","","","0.0805","0.0817","","","","","","1.032","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217636","9.415","0.0016","5.6395","0.0009","12.3566","0.0018","90","","110.273","0.018","90","","615.44","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-methoxybenzyl)-2H-indazole","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C30 H28 N4 O2 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Chaitra, N. C.; Sharada, Duddu S.","A facile synthesis of 2H-indazoles under neat conditions and further transformation into aza-γ-carboline alkaloid analogues in a tandem one-pot fashion","RSC Advances","2014","4","65","34232","","10.1039/C4RA06838F","","","1.54184","CuKα","","0.0463","0.0386","","","0.0975","0.1079","","","","","","1.091","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217671","11.718","0.016","8.241","0.011","13.602","0.018","90","","107.699","0.013","90","","1251","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O4 -","- C27 H33 Br O4 -","- C54 H66 Br2 O8 -","2","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.1214","0.0498","","","0.0982","0.1278","","","","","","0.923","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217689","11.8863","0.0044","15.3948","0.0059","10.5539","0.004","90","","95.0116","0.0023","90","","1923.8","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 F3 N3 O3 -","- C18 H24 F3 N3 O3 -","- C72 H96 F12 N12 O12 -","4","2","","Zehe, Christoph; Schmidt, Marko; Siegel, Renée; Kreger, Klaus; Daebel, Venita; Ganzleben, Sandra; Schmidt, Hans-Werner; Senker, Jürgen","Influence of fluorine side-group substitution on the crystal structure formation of benzene-1,3,5-trisamides","CrystEngComm","2014","16","39","9273","","10.1039/C4CE01077A","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217739","9.9038","0.0014","13.785","0.003","16.149","0.003","90","","101.077","0.015","90","","2163.6","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O8 S -","- C18 H23 N3 O8 S -","- C72 H92 N12 O32 S4 -","4","2","","Kumar, Manish; Sharma, Vivek; Olsen, carl E; Prasad, Ashok","Chemo-enzymatic synthesis of bicyclic 3′-azido- and 3′-amino-nucleosides","RSC Advances","2014","","","","","10.1039/C4RA06805J","","","0.71073","MoKα","","0.0845","0.0545","","","0.0992","0.1118","","","","","","0.99","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217745","11.7091","0.0018","15.066","0.002","13.811","0.002","90","","96.441","0.004","90","","2421","0.6","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H39 Ag5 I7 Mn N7 O4 -","- C29 H39 Ag5 I7 Mn N7 O4 -","- C58 H78 Ag10 I14 Mn2 N14 O8 -","2","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Wang, Fang; Zhang, Yong; Jia, Dingxian","Polymeric templates and solvent effects: syntheses and properties of polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+ cations","RSC Advances","2014","","","","","10.1039/C4RA08121H","","","0.71073","MoKα","","0.0394","0.0366","","","0.0686","0.07","","","","","","0.977","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217749","9.523","0.005","5.419","0.005","26.034","0.005","90","0.005","95.631","0.005","90","0.005","1337","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N O13 -","- C24 H29 N O13 -","- C48 H58 N2 O26 -","2","1","","Hemamalini, Arasappan; Mohan das, Thangamuthu","Exploration, synthesis and studies of gel forming simple sugar-chalcone derivatives","RSC Advances","2014","","","","","10.1039/C4RA06544A","","","0.71073","MoKα","","0.0566","0.0396","","","0.0963","0.1053","","","","","","1.028","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217795","8.5501","0.0002","6.4813","0.0001","12.5837","0.0003","90","","108.159","0.002","90","","662.6","0.03","173.01","0.18","173.01","0.18","","","","","","","","3","P 1 21 1","P 2yb","4","acoronene","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Feng, Xiao-lin; Yu, Yang; Gao, Hao; Mu, Zhen-qiang; Cheng, Xiao-rui; Zhou, Wen-xia; Yao, Xin-sheng","New sesquiterpenoids from the rhizomes of Acorus tatarinowii","RSC Advances","2014","","","","","10.1039/C4RA06481J","","","1.54178","CuKα","","0.0256","0.0254","","","0.0629","0.063","","","","","","1.074","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217814","11.5488","0.0019","5.326","0.0009","23.007","0.004","90","","100.302","0.003","90","","1392.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 O20 Zn -","- C32 H16 O20 Zn -","- C64 H32 O40 Zn2 -","2","1","","Singh, Ruchi; Afzal, Mohd.; ZAKI, MEHVASH afzal.analytical@gmail.com; Ahmad, Musheer; Tabassum, Sartaj","Synthesis, structure elucidation and DFT studies of a new coumarin derived Zn(II) complex: In vitro DNA/HSA binding profile and pBR322 DNA cleavage pathway","RSC Advances","2014","","","","","10.1039/C4RA05637J","","","0.71073","MoKα","","0.053","0.048","","","0.1161","0.1206","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217840","5.6755","0.0002","11.9628","0.0004","16.5633","0.0006","90","","91.632","0.002","90","","1124.11","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C30 H21 N5 -","- C30 H21 N5 -","- C60 H42 N10 -","2","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.1853","0.179","","","0.3067","0.3091","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217846","11.405","0.0002","6.1854","0.0001","18.2916","0.0003","90","","90.461","0.001","90","","1290.33","0.04","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H46 O4 -","- C29 H46 O4 -","- C58 H92 O8 -","2","1","","Szczepek, Wojciech Jan; Frelek, Jadwiga; Butkiewicz, Aleksandra; Górecki, Marcin; Wojcieszczyk, Ryszard K.; Luboradzki, Roman; Kwit, Marcin; Rode, Michal F.","Structure ‒ Chiroptical Properties Relationship of Cisoid Enones with α-Methylenecyclopentanone Unit","RSC Advances","2014","","","","","10.1039/C4RA04991H","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0761","0.077","","","","","","1.075","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217856","5.378","0.002","9.788","0.004","8.399","0.003","90","","101.676","0.004","90","","433","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C16 H34 N2 O4 -","2","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0522","0.0455","","","0.1245","0.1304","","","","","","1.09","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217859","10.75","0.002","9.407","0.002","11.079","0.003","90","","95.013","0.003","90","","1116.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-phenylalanine","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0555","0.038","","","0.086","0.0952","","","","","","1.028","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218048","6.2534","0.0005","7.7581","0.0007","15.5349","0.0013","90","","91.251","0.001","90","","753.49","0.11","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Basireddy, Venkata Subba Reddy; Ramisetti, Anjibabu; Ramana Reddy, Mittapalli; Reddy, Jagan Mohan; Balasubramanian, Sridhar","Intramolecular C-O/C-S bond insertion of α-diazoesters for the synthesis of 2-aryl-4H-benzo[d][1,3]oxazine and 2-aryl-4H-benzo[d][1,3]thiazine derivatives","RSC Adv.","2014","","","","","10.1039/C4RA08208G","","","0.71073","MoKα","","0.0334","0.0322","","","0.0889","0.09","","","","","","1.082","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218095","9.0274","0.0002","20.4427","0.0004","14.5383","0.0003","90","","99.274","0.001","90","","2647.89","0.1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C112 H112 Br8 O24 -","4","2","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.056","0.042","","","0.0962","0.1021","","","","","","1.028","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218136","8.5299","0.0003","6.0689","0.0002","13.7293","0.0005","90","","91.554","0.002","90","","710.46","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Kang, Philjun; Lee, Kyu Myung; Lee, Won Koo; Lee, Kyu Hyung; Lee, Byeongno; Cho, Jaeheung; Hur, Nam","One-pot Solvent-Free Reductive Amination with a Solid Ammonium Carbamate Salt from CO2 and Amine","RSC Adv.","2014","","","","","10.1039/C4RA07558G","","","0.71073","MoKα","","0.0438","0.0353","","","0.093","0.1008","","","","","","0.641","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218162","6.3978","0.0004","21.3089","0.0014","13.6408","0.001","90","","98.903","0.002","90","","1837.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cd N5 O10 S -","- C36 H31 Cd N5 O10 S -","- C72 H62 Cd2 N10 O20 S2 -","2","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0579","0.0436","","","0.1035","0.119","","","","","","1.033","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218208","7.1055","0.0003","12.1329","0.0006","19.1171","0.0007","90","","96.167","0.001","90","","1638.55","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C72 H72 B4 F8 N12 -","4","2","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.1067","0.0608","","","0.1536","0.2339","","","","","","1.165","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218242","16.137","0.005","7.876","0.002","16.214","0.005","90","","108.606","0.004","90","","1953","1","100","2","100","2","","","","","","","Jennifer Hiscock","4","P 1 21 1","P 2yb","4","Compound 6","","","- C18 H35 Cl N2 -","- C18 H35 Cl N2 -","- C72 H140 Cl4 N8 -","4","2","","Hiscock, Jennifer R.; Kirby, Isabelle L.; Herniman, Julie; John Langley, G.; Clark, Alistair J.; Gale, Philip A.","Supramolecular gels for the remediation of reactive organophosphorus compounds","RSC Adv.","2014","4","85","45517","","10.1039/C4RA07712A","","","0.71073","MoKα","","0.0579","0.0532","","","0.115","0.1182","","","","","","1.096","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218243","10.722","0.004","5.2236","0.0016","18.916","0.007","90","","103.548","0.006","90","","1030","0.6","100","2","100","2","","","","","","","Jennifer Hiscock","5","P 1 21 1","P 2yb","4","","compound 5","","- C18 H37 Cl N2 O -","- C18 H37 Cl N2 O -","- C36 H74 Cl2 N4 O2 -","2","1","","Hiscock, Jennifer R.; Kirby, Isabelle L.; Herniman, Julie; John Langley, G.; Clark, Alistair J.; Gale, Philip A.","Supramolecular gels for the remediation of reactive organophosphorus compounds","RSC Adv.","2014","4","85","45517","","10.1039/C4RA07712A","","","0.71075","MoKα","","0.0697","0.0598","","","0.111","0.1192","","","","","","1.118","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218255","10.3842","0.0005","18.077","0.001","23.1444","0.0011","90","","101.813","0.005","90","","4252.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H83 Ag2 N O2 P4 S4 -","- C96 H83 Ag2 N O2 P4 S4 -","- C192 H166 Ag4 N2 O4 P8 S8 -","2","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.0591","0.0416","","","0.0763","0.0833","","","","","","1.017","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218340","10.2531","0.0003","9.5647","0.0003","17.478","0.0006","90","","104.131","0.002","90","","1662.16","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 S -","- C18 H20 N2 S -","- C72 H80 N8 S4 -","4","2","","Punniyamurthy, Tharmalingam; Sengoden, Mani; Vijay, Murugan; Balakumar, Emayavaramban","Efficient Pyrrolidine Catalyzed Cycloaddition of Aziridines with Isothiocyanates, Isoselenocyanates and Carbon Disulfide “On Water”","RSC Adv.","2014","","","","","10.1039/C4RA08902B","","","0.71073","MoKα","","0.0584","0.0464","","","0.137","0.1486","","","","","","1.024","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218384","4.6871","0.0006","5.3721","0.0007","15.9","0.002","90","","97.381","0.002","90","","397.04","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C16 H14 Br2 O4 -","2","1","","Wu, An-Xin; Wu, Xia; Gao, Qinghe; Lian, Mi; Liu, Shan","Direct Synthesis of α-Hydroxyacetophenones Through Molecule Iodine Activation of Carbon‒Carbon Double Bonds","RSC Adv.","2014","","","","","10.1039/C4RA07012G","","","0.71073","MoKα","","0.0282","0.0266","","","0.0699","0.0707","","","","","","1.075","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218477","13.2765","0.0002","15.9187","0.0002","14.6917","0.0002","90","","102.437","0.008","90","","3032.15","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetraethylammonium bromide","","- C24 H28 Br F8 I2 N O2 -","- C24 H28 Br F8 I2 N O2 -","- C96 H112 Br4 F32 I8 N4 O8 -","4","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0832","0.0367","","","0.0658","0.0888","","","","","","1.128","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218481","7.1418","0.0009","10.6881","0.0013","15.8359","0.0019","90","","92.827","0.002","90","","1207.3","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N5 O5 -","- C8 H15 N5 O5 -","- C32 H60 N20 O20 -","4","2","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0378","0.0331","","","0.0712","0.0721","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218574","9.837","0.004","13.099","0.005","21.032","0.008","90","","77.875","0.007","90","","2649.6","1.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 N2 O6 Sn -","- C29 H26 N2 O6 Sn -","- C116 H104 N8 O24 Sn4 -","4","2","","Sirajuddin, Muhammad -; Ali, Saqib; McKee, Vickie; Zaib, Sumera; Iqbal, Jamshed","Organotin(IV) carboxylate derivatives as a new addition to anticancer and antileishmanial agents: Design, physicochemical characterization and interaction with Salmon sperm DNA","RSC Adv.","2014","","","","","10.1039/C4RA10487K","","","0.71073","MoKα","","0.1321","0.0855","","","0.1839","0.2117","","","","","","0.935","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218602","11.49","0.005","23.129","0.005","14.609","0.005","90","0.005","106.035","0.005","90","0.005","3731","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H65 Ag12 F15 O11 -","- C52 H63 Ag12 F15 O11 -","- C104 H126 Ag24 F30 O22 -","2","1","","Zhou, Kun; Qin, Chao; Yan, Li-Kai; Wang, Fang-Ming; Su, Zhong-Min","Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynly chains with CF3COO‒/CH3COO‒ as auxiliary ligand","RSC Adv.","2014","","","","","10.1039/C4RA09876E","","","0.71069","MoKα","","0.0943","0.0607","","","0.1453","0.1663","","","","","","1.036","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218621","9.355","0.0007","33.043","0.003","13.5151","0.0011","90","","107.899","0.002","90","","3975.5","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 B O2 P -","- C22 H26 B O2 P -","- C176 H208 B8 O16 P8 -","8","4","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0622","0.0554","","","0.1304","0.1336","","","","","","1.077","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218622","9.6592","0.0006","12.9354","0.0011","14.2059","0.0009","90","","106.664","0.002","90","","1700.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 B O2 P -","- C40 H50 B O2 P -","- C80 H100 B2 O4 P2 -","2","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0575","0.0552","","","0.1408","0.1435","","","","","","1.056","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218623","9.1144","0.0006","10.1755","0.0007","9.5868","0.0009","90","","97.133","0.004","90","","882.23","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 B O P -","- C20 H22 B O P -","- C40 H44 B2 O2 P2 -","2","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0448","0.0382","","","0.0937","0.0978","","","","","","1.052","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218625","10.2789","0.0007","12.6688","0.0007","16.3394","0.0012","90","","101.241","0.003","90","","2086.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 B O P -","- C22 H32 B O P -","- C88 H128 B4 O4 P4 -","4","2","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0693","0.0516","","","0.127","0.1382","","","","","","1.015","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218626","9.316","0.0015","14.835","0.003","12.035","0.0019","90","","102.299","0.003","90","","1625.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 B O2 P -","- C40 H38 B O2 P -","- C80 H76 B2 O4 P2 -","2","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0461","0.04","","","0.0907","0.0954","","","","","","1.037","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218627","5.8923","0.0005","11.4413","0.0009","7.6951","0.0007","90","","112.239","0.003","90","","480.18","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H9 Cl N6 O2 -","- C5 H9 Cl N6 O2 -","- C10 H18 Cl2 N12 O4 -","2","1","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on guanidinium cation containing furoxanyl functionality","RSC Adv.","2014","","","","","10.1039/C4RA11732H","","","0.71073","MoKα","","0.0785","0.0507","","","0.1002","0.1137","","","","","","1.006","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218678","7.4736","0.0005","16.8835","0.0012","7.801","0.0005","90","","105.03","0.002","90","","950.66","0.11","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","6","","Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.","Structures and optical properties of two phases of SrMgF4.","Physical chemistry chemical physics : PCCP","2015","17","1","500","508","10.1039/c4cp04689g","","x-ray","0.71073","MoKα","","0.0321","0.0235","","","0.056","0.0604","","","","","","0.87","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218685","8.6777","0.0002","15.1269","0.0003","9.5353","0.0002","90","","96.722","0.002","90","","1243.06","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H38 O7.5 -","- C23 H38 O7.5 -","- C46 H76 O15 -","2","1","","Chen, Yanping; Liu, Qian; Gao, Hao; Lin, Haipeng; Tian, Hai-Yan; Hong, Kui; Li, J.; Jiang, Renwang; Yao, Xin-Sheng; Tang, Jinshan","Streptospirodienoic Acids A and B, 6,6-Spiroketal Polyketides from Streptomyces sp.","RSC Adv.","2014","","","","","10.1039/C4RA10672E","","","1.54184","CuKα","","0.0367","0.0341","","","0.0905","0.0931","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218712","10.5118","0.0005","18.6632","0.0008","12.219","0.0006","90","","114.115","0.002","90","","2187.96","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Sm -","- Co2 Mo10 N3 O50 Sm -","- Co4 Mo20 N6 O100 Sm2 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0283","0.028","","","0.0743","0.0745","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218713","10.5122","0.0005","18.6663","0.0009","12.2157","0.0006","90","","114.06","0.002","90","","2188.76","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Eu H40 Mo10 N3 O50 -","- Co2 Eu Mo10 N3 O50 -","- Co4 Eu2 Mo20 N6 O100 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0302","0.0301","","","0.0812","0.0813","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218716","5.75094","0.00003","17.80093","0.00008","11.63481","0.00006","90","","98.7275","0.0005","90","","1177.29","0.01","119.9","0.2","119.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172","","- C30 H24.32 N5 O1.66 -","- C30 H24.322 N5 O1.661 -","- C60 H48.644 N10 O3.322 -","2","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0366","0.0366","","","0.0949","0.0949","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218743","6.4084","0.0004","17.7164","0.0012","9.0918","0.0006","90","","109.547","0.004","90","","972.74","0.11","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C28 H8 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0786","0.0386","","","0.061","0.0684","","","","","","0.814","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218759","5.9539","0.0012","7.3758","0.0015","22.019","0.005","90","","91.787","0.003","90","","966.5","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0479","0.0398","","","0.0955","0.0996","","","","","","1","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218782","8.4183","0.0014","12.2957","0.0019","9.3671","0.0016","90","","97.016","0.006","90","","962.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-benzyl-3-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)indolin-2-one","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Kaur, Jasneet; Kumar, Akshay; Chimni, Swapandeep Singh","Cinchonidine thiourea catalyzed asymmetric addition of phenols to oxindole derivatives","RSC Adv.","2014","4","107","62367","","10.1039/C4RA09805F","","","0.71073","MoKα","","0.0379","0.0363","","","0.0951","0.0965","","","","","","1.02","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218795","10.6624","0.001","13.8203","0.001","12.4355","0.001","90","","109.075","0.004","90","","1731.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Ag2 N4 O11 S2 -","- C25 H36 Ag2 N4 O11 S2 -","- C50 H72 Ag4 N8 O22 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1597","0.0729","","","0.1883","0.2336","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218860","12.154","0.002","7.8731","0.0012","13.359","0.002","90","","99.134","0.005","90","","1262.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ak_399","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Kayet, Anirban; Datta, Dhrubajyoti; Kumar, Ganesh; Ghosh, Anindya Sundar; Pathak, Tanmaya","Templating effect of 1,5-disubstituted 1,2,3-triazole-linked disaccharides on size, shape and antibacterial activity of silver nanoparticles","RSC Adv.","2014","4","108","63036","","10.1039/C4RA11769G","","","0.71073","MoKα","","0.0821","0.0419","","","0.0737","0.0865","","","","","","1.008","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218881","11.9671","0.0011","5.9986","0.0004","14.9357","0.0011","90","","102.578","0.008","90","","1046.44","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C36 H44 Cu2 N4 O16 -","2","1","","Wojciechowska, Agnieszka; Gągor, Anna; Jezierska, Julia; Duczmal, Marek","Structural, spectroscopic and magnetic properties of a novel copper(ii)l-tyrosinato complex","RSC Adv.","2014","4","108","63150","","10.1039/C4RA10717A","","","0.71073","MoKα","","0.0822","0.0505","","","0.1203","0.1343","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218908","14.744","0.007","16.525","0.008","19.87","0.009","90","","102.968","0.009","90","","4718","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H74 Mn4 N14 O23 -","- C74 H74 Mn4 N14 O23 -","- C148 H148 Mn8 N28 O46 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1774","0.0983","","","0.262","0.2856","","","","","","1.026","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219039","22.76","0.0009","25.263","0.0011","24.146","0.0011","90","","116.121","0.008","90","","12465.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C208 H241 Cu4 N24 O52 -","- C136 H72 Cu4 O28 -","- C272 H144 Cu8 O56 -","2","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","0.71073","MoKα","","0.0797","0.0638","","","0.1736","0.1829","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219065","8.524","0.003","18.381","0.007","18.735","0.008","90","","98.788","0.008","90","","2900.9","1.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H74 Cu2 N16 O8 -","- C56 H74 Cu2 N16 O8 -","- C112 H148 Cu4 N32 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0539","0.0436","","","0.0984","0.1052","","","","","","1.018","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219071","8.394","0.003","5.7287","0.0018","9.35","0.003","90","","115.074","0.004","90","","407.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.051","0.037","","","0.0797","0.0866","","","","","","1.009","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219123","11.289","0.002","8.0295","0.0011","14.209","0.004","90","","101.506","0.003","90","","1262.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0277","0.0266","","","0.062","0.0628","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219126","13.493","0.006","7.8123","0.0033","6.585","0.0027","90","","100.294","0.0021","90","","683","0.5","293","","293","","","","","","","","see text","6","P 1 21 1","P 2yb","4","cocrystal (I) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C22 H30 B2 I2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.0619","","1.95","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219131","12.179","0.005","9.055","0.004","5.6453","0.0022","90","","95.1941","0.0018","90","","620","0.4","293","","293","","","","","","","","see text","5","P 1 21 1","P 2yb","4","cocrystal of phenylboronic acid with L-proline (1:1)","","","- C11 H16 B N O4 -","- C11 H16 B N O4 -","- C22 H32 B2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.11395","","2.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219132","7.6856","0.0014","5.8462","0.0011","14.933","0.003","90","","103.953","0.003","90","","651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 B N O5 -","- C11 H18 B N O5 -","- C22 H36 B2 N2 O10 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0452","0.0434","","","0.1133","0.1146","","","","","","1.136","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219133","5.619","0.0001","12.232","0.0004","8.384","0.0003","90","","104.304","0.0012","90","","558.38","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0245","0.0239","","","0.0567","0.057","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219134","5.689","0.005","12.288","0.005","8.419","0.005","90","","103.897","0.005","90","","571.3","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.046","0.0368","","","0.0611","0.0654","","","","","","0.936","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219135","5.3598","0.0001","12.0206","0.0004","8.6306","0.0003","90","","104.55","0.001","90","","538.22","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.034","0.0313","","","0.074","0.0757","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219136","5.4349","0.0001","12.0714","0.0003","8.6515","0.0003","90","","103.854","0.002","90","","551.09","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0341","0.0308","","","0.0772","0.0803","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219137","6.077","0.0007","16.324","0.002","6.344","0.0007","90","","115.577","0.008","90","","567.66","0.12","293","2","293","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","lamivudine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0857","0.0635","","","0.1566","0.1754","","","","","","1.069","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219177","12.891","0.001","7.611","0.001","18.041","0.001","90","","99.51","0.01","90","","1745.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H22 N2 O5 Ru S -","- C14 H22 N2 O5 Ru S -","- C56 H88 N8 O20 Ru4 S4 -","4","2","","Patalenszki, János; Bíró, Linda; Benyei, Attila; Muchova, Tereza Radosova; Kasparkova, Jana; Buglyo, Peter","Half-sandwich complexes of ruthenium, osmium, rhodium and iridium with DL-methionine or S-methyl-L-cysteine: A solid state and solution equilibrium study","RSC Adv.","2014","","","","","10.1039/C4RA15649H","","","0.71073","MoKα","","0.1564","0.0741","","","","0.168","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219182","11.1962","0.0005","15.1146","0.0007","11.9446","0.0005","90","","94.215","0.002","90","","2015.87","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","DDJS-48","","","- C35 H41 Cl2 Cu3 N5 O18 -","- C35 H41 Cl2 Cu3 N5 O18 -","- C70 H82 Cl4 Cu6 N10 O36 -","2","1","","Das, Debasis; Adhikari, Sangita; Banerjee, Arnab; Nandy, Sandip; Fondo, Matilde; Sanmartin, Jesus","Structure, magnetism and catecholase activity of the first dicopper(II) complex having a single μ-alkoxo bridge","RSC Adv.","2014","","","","","10.1039/C4RA14603D","","x-ray","0.71073","MoKα","","0.0698","0.0525","","","0.1168","0.1314","","","","","","0.995","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219211","9.7549","0.0013","13.1891","0.0017","10.508","0.0013","90","","109.603","0.004","90","","1273.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cd2 N2 O12 -","- C22 H24 Cd2 N2 O12 -","- C44 H48 Cd4 N4 O24 -","2","1","","Han, Zhengbo; Zhang, Xiao-Nan; Liu, Lin; Gao, Ming-Liang; Yuan, Daqiang","A dual-functional Cd(II)-organic-framework demonstrating selective sensing of Zn2+ and Fe3+ ions exclusively and size-selective catalysis towards cyanosilylation","RSC Adv.","2015","","","","","10.1039/C4RA11678J","","","0.71073","MoKα","","0.0435","0.0373","","","0.0559","0.0571","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219227","10.6419","0.0019","16.053","0.003","10.709","0.002","90","","90.097","0.008","90","","1829.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","2","","Das, Asish R.; Pradhan, Koyel; Paul, Sanjay","Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot","RSC Adv.","2015","","","","","10.1039/C4RA12618A","","","0.71073","MoKα","","0.0762","0.0511","","","0.1169","0.1303","","","","","","0.989","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219341","15.071","0.005","5.84","0.002","15.398","0.005","90","","118.293","0.006","90","","1193.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1391","0.084","","","0.1765","0.2016","","","","","","1.023","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219342","15.057","0.003","5.826","0.0011","15.588","0.003","90","","117.035","0.003","90","","1218","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C54 H62 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0793","0.0644","","","0.148","0.1558","","","","","","1.097","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219343","15.102","0.003","5.848","0.0009","15.421","0.003","90","","113.81","0.003","90","","1246","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C56 H66 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0373","0.0339","","","0.083","0.0862","","","","","","1.027","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219364","8.011","0.005","6.852","0.005","14.033","0.005","90","0.005","103.777","0.005","90","0.005","748.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C30 H34 Cu2 N10 O2 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik","Spontaneous resolution of P and M helical copper(II) MOFs built from achiral precursors","RSC Adv.","2015","","","","","10.1039/C4RA17334A","","","0.71073","MoKα","","0.0883","0.0759","","","0.188","0.2097","","","","","","1.08","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219365","8.0058","0.0003","6.8434","0.0002","14.0474","0.0005","90","","103.658","0.002","90","","747.85","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C30 H34 Cu2 N10 O2 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik","Spontaneous resolution of P and M helical copper(II) MOFs built from achiral precursors","RSC Adv.","2015","","","","","10.1039/C4RA17334A","","","0.71073","MoKα","","0.0366","0.0309","","","0.0623","0.0642","","","","","","1.015","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219486","6.896","0.001","7.706","0.001","13.516","0.001","90","","96.435","0.005","90","","713.72","0.15","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.1585","0.0885","","","0.2198","0.2846","","","","","","1.197","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219557","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.1754","0.099","","","0.2","0.2413","","","","","","1.068","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219623","5.3615","0.0005","15.8123","0.0015","9.9631","0.0009","90","","90.899","0.002","90","","844.54","0.14","100","2","100","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0346","0.0323","","","0.0777","0.079","","","","","","1.049","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219624","6.2475","0.0004","7.1111","0.0006","17.3692","0.0011","90","","96.792","0.005","90","","766.24","0.09","298","2","293","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Hydantoin-5-propionic acid","3-(2,5-dioxoimidazolidin-4-yl) propanoic acid","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C24 H32 N8 O16 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0408","0.0362","","","0.0804","0.0855","","","","","","1.068","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219627","6.46","0.0013","10.641","0.002","12.411","0.003","90","","94.52","0.03","90","","850.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O4 S -","- C15 H18 Cl N O4 S -","- C30 H36 Cl2 N2 O8 S2 -","2","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.0761","0.0619","","","0.1501","0.1649","","","","","","1.078","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219628","10.485","0.002","6.602","0.0013","12.803","0.003","90","","103.81","0.03","90","","860.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C30 H36 Br2 N2 O8 S2 -","2","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.0732","0.0531","","","0.1351","0.1535","","","","","","0.901","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219629","10.308","0.002","6.379","0.0013","12.174","0.002","90","","100.71","0.03","90","","786.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C30 H38 N2 O8 S2 -","2","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.0674","0.0524","","","0.1273","0.1558","","","","","","1.005","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219632","14.6268","0.0002","18.3253","0.0003","15.3798","0.0002","90","","118.011","0.001","90","","3639.5","0.1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H89 Cl3 N26 O24 -","- C53 H61 Cl3 N26 O24 -","- C106 H122 Cl6 N52 O48 -","2","1","","Xiao, Xin; Gao, Zhong-Zheng; Shan, Cheng-Long; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Liu, Jing-Xin","Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril.","Physical chemistry chemical physics : PCCP","2015","17","14","8618","8621","10.1039/c5cp00152h","","","0.71073","MoKα","","0.0881","0.085","","","0.2321","0.2391","","","","","","1.03","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219644","3.737","0.0003","12.6714","0.0011","14.3717","0.0013","90","","94.984","0.002","90","","677.97","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-chloro-4-nitrobenzoic acid)(2-amino-5-nitropyridine)","","- C12 H9 Cl N4 O6 -","- C12 H9 Cl N4 O6 -","- C24 H18 Cl2 N8 O12 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.1057","0.1033","","","0.2886","0.2908","","","","","","1.176","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219650","4.59","0.004","8.336","0.007","15.282","0.013","90","","96.929","0.017","90","","580.5","0.9","100","2","100","2","","","","","","","Isabelle Kirby","4","P 1 21 1","P 2yb","4","1-(4-nitrophenyl)-3-(phenyl)urea","1-(4-nitrophenyl)-3-(phenyl)urea","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0492","0.0448","","","0.1159","0.1185","","","","","","1.071","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219663","10.2341","0.0015","10.4857","0.0016","10.2341","0.0015","90","","116.97","","90","","978.8","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","sinuflexolide","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Chen, Wen-Ting; Li, J.; Wang, Jian-Rong; Li, Xu-Wen; Guo, Yue-Wei","Structural diversity of terpenoids in the Soft Coral Sinularia flexibilis, evidence by a collection from the South China Sea","RSC Adv.","2015","","","","","10.1039/C5RA01151E","","","1.54178","CuKα","","0.0557","0.0528","","","0.1362","0.1416","","","","","","1.076","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219683","3.8289","0.0001","23.3314","0.0007","7.4554","0.0002","90","","98.153","0.003","90","","659.29","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0272","0.027","","","0.0746","0.0749","","","","","","1.085","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219714","11.8071","0.0015","29.765","0.004","13.1818","0.0016","90","","110.456","0.002","90","","4340.5","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","ch14263","Compound 2","","- C150 H162 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0848","0.0576","","","0.149","0.176","","","","","","1.064","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219766","6.7969","0.0003","14.0639","0.0006","9.4194","0.0004","90","","96.811","0.005","90","","894.05","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Huang, Wei; Zhao, Qian; Han, Bo; Wang, Biao; Leng, Hai-Jun; Peng, Cheng","Synthesis of functionalized γ-lactones via a three-component cascade reaction catalyzed by consecutive N-heterocyclic carbene systems","RSC Adv.","2015","","","","","10.1039/C5RA01254F","","","1.5418","CuKα","","0.0333","0.0317","","","0.0877","0.0894","","","","","","1.096","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219798","11.0553","0.0015","3.6976","0.0004","13.0135","0.0014","90","","98.716","0.004","90","","525.82","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0906","0.0716","","","0.1691","0.1845","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219800","9.756","0.003","4.6737","0.0015","11.257","0.004","90","","99.132","0.017","90","","506.8","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0368","","","0.0889","0.0911","","","","","","1.076","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219803","3.8029","0.0004","11.4621","0.0014","12.2186","0.0015","90","","94.778","0.006","90","","530.75","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.025","0.0244","","","0.0669","0.0674","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219827","4.8576","0.0006","9.2069","0.0012","14.7648","0.0019","90","","95.696","0.008","90","","657.07","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0578","0.055","","","0.1834","0.1861","","","","","","1.367","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219828","9.292","0.005","7.698","0.003","12.322","0.005","90","","111.34","0.03","90","","821","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C32 H44 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0568","0.048","","","0.1403","0.147","","","","","","1.059","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219885","6.0532","0.0019","34.587","0.008","7.827","0.002","90","","101.767","0.009","90","","1604.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Fe N O3 S -","- C18 H15 Fe N O3 S -","- C72 H60 Fe4 N4 O12 S4 -","4","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1063","0.0514","","","0.076","0.09","","","","","","0.956","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219906","6.1853","0.0006","30.023","0.003","8.4797","0.0009","90","","104.478","0.01","90","","1524.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Fe N3 -","- C18 H17 Fe N3 -","- C72 H68 Fe4 N12 -","4","2","","Kumar, Dhananjay; Singh, Anoop S.; Tiwari, Vinod K.","An unprecedented deoxygenation protocol of benzylic alcohols using bis(1- benzotriazolyl)methanethione","RSC Adv.","2015","","","","","10.1039/C5RA01545F","","","0.71073","MoKα","","0.1002","0.0611","","","0.097","0.1212","","","","","","1.046","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219975","8.0264","0.0001","25.9353","0.0004","14.2385","0.0002","90","","91.707","0.001","90","","2962.67","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N S -","- C39 H28 N S -","- C156 H112 N4 S4 -","4","2","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Shaikh, Mobin M.","Mechanochromism and aggregation induced emission in benzothiazole substituted tetraphenylethylenes: A structure function correlation.","RSC Adv.","2015","","","","","10.1039/C5RA04881H","","","1.5418","CuKα","","0.0486","0.0455","","","0.1283","0.133","","","","","","1.024","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219997","5.9156","0.0004","9.5177","0.0007","21.3112","0.0016","90","0.003","97.871","0.004","90","0.003","1188.58","0.15","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Allyloxymethyl_BEDT-TTF) diperchlorate","","- C14 H14 Cl2 O9 S8 -","- C14 H14 Cl2 O9 S8 -","- C28 H28 Cl4 O18 S16 -","2","1","","Zecchini, Matteo; Lopez, Jordan R.; Allen, Scott; Coles, Simon; Wilson, Claire; Akutsu, Hiroki; Martin, Lee; Wallis, John D.","Exo-Methylene-BEDT-TTF and Alkene-functionalised BEDT-TTF Derivatives: Synthesis and Radical Cation Salts","RSC Adv.","2015","","","","","10.1039/C5RA03921E","","","0.6889","","","0.0858","0.0792","","","0.2091","0.2176","","","","","","1.037","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7220026","11.829","0.002","9.0852","0.0018","31.098","0.006","90","","91.63","0.03","90","","3340.7","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,3S,4R)-2-((S)-2-acetamidopropanamido)-N-((S)-1-((1-(((S)-1-amino-1- oxopropan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)-3- (benzylthio)bicyclo[2.2.1]hept-5-ene-2-carboxamide","","- C30 H42 N6 O6 S -","- C30 H42 N6 O6 S -","- C120 H168 N24 O24 S4 -","4","2","","Clerici, Francesca; Ruffoni, Alessandro; Contini, Alessandro; Soave, Raffaella; Lo Presti, Leonardo; Esposto, Irene; nava, donatella; Pellegrino, Sara; Gelmi, Maria Luisa; maffucci, irene","Model peptides containing the 3-sulfanyl-norbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix secondary structures","RSC Adv.","2015","","","","","10.1039/C5RA03805G","","","0.71073","MoKα","","0.0795","0.0502","","","0.1113","0.1235","","","","","","1.039","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220104","9.826","0.0001","14.5902","0.0002","10.3473","0.0001","90","","99.443","0.001","90","","1463.32","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C62 H76 O22 -","2","1","","Li, Hui; Li, Yi; Wang, Xiao-Bing; Pang, Tao; Zhang, luyong; Luo, Jun; Kong, Ling-Yi","Mexicanolide limonoids with in vitro neuroprotective activities from seeds of Khaya senegalensis","RSC Adv.","2015","","","","","10.1039/C5RA05006E","","","1.54184","CuKα","","0.037","0.0364","","","0.1049","0.1064","","","","","","1.079","","","","has coordinates","135720","2020-10-21","18:00:00",""
"7220122","3.989","0.0005","14.0371","0.0012","9.543","0.0012","90","","100.572","0.012","90","","525.28","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials","RSC Adv.","2015","","","","","10.1039/C5RA04907E","","","0.71073","MoKα","","0.104","0.0494","","","0.0539","0.0739","","","","","","0.878","","","","has coordinates","135726","2020-10-21","18:00:00",""
"7220146","13.0607","0.0005","14.5382","0.0005","13.6308","0.0006","90","","118.032","0.005","90","","2284.57","0.19","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ca N2 O2 P2 Se2 -","- C48 H54 Ca N2 O2 P2 Se2 -","- C96 H108 Ca2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0359","0.0342","","","0.0874","0.0895","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220147","13.0797","0.001","14.5246","0.0008","13.6284","0.0014","90","","117.984","0.011","90","","2286.4","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ca N2 O2 P2 Se2 -","- C48 H54 Ca N2 O2 P2 Se2 -","- C96 H108 Ca2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0455","0.0424","","","0.1104","0.1146","","","","","","1.047","","","","has coordinates","135732","2020-10-21","18:00:00",""
"7220148","12.5","0.0007","14.6217","0.0004","13.9074","0.0008","90","","115.038","0.007","90","","2303","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 N2 O2 P2 Se2 Sr -","- C48 H54 N2 O2 P2 Se2 Sr -","- C96 H108 N4 O4 P4 Se4 Sr2 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.065","0.0602","","","0.1622","0.1697","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220149","12.4934","0.0006","14.6187","0.0007","13.9134","0.0006","90","","115.041","0.005","90","","2302.3","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H53 N2 O2 P2 Se2 Sr -","- C48 H53 N2 O2 P2 Se2 Sr -","- C96 H106 N4 O4 P4 Se4 Sr2 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0464","0.0402","","","0.0979","0.1032","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220150","12.5451","0.0002","14.6496","0.0003","14.0905","0.0002","90","","115.323","0.002","90","","2340.73","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ba N2 O2 P2 Se2 -","- C48 H54 Ba N2 O2 P2 Se2 -","- C96 H108 Ba2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0394","0.0391","","","0.1042","0.1047","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220151","12.5571","0.0003","14.6478","0.0003","14.0913","0.0004","90","","115.305","0.003","90","","2343.17","0.12","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ba N2 O2 P2 Se2 -","- C48 H54 Ba N2 O2 P2 Se2 -","- C96 H108 Ba2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0543","0.0538","","","0.1402","0.1412","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220152","11.3581","0.001","6.1729","0.0005","13.3347","0.0012","90","","90.752","0.008","90","","934.85","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 B N P -","- C20 H23 B N P -","- C40 H46 B2 N2 P2 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0573","0.0478","","","0.1179","0.1285","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220154","13.1696","0.0009","14.8039","0.0004","13.7579","0.0009","90","","117.394","0.009","90","","2381.5","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H60 B2 Ba N2 O2 P2 -","- C48 H60 B2 Ba N2 O2 P2 -","- C96 H120 B4 Ba2 N4 O4 P4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0387","0.0357","","","0.0905","0.0935","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220155","13.1465","0.0005","14.7929","0.0003","13.7413","0.0007","90","","117.316","0.005","90","","2374.34","0.19","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H60 B2 Ba N2 O2 P2 -","- C48 H60 B2 Ba N2 O2 P2 -","- C96 H120 B4 Ba2 N4 O4 P4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0338","0.0333","","","0.0843","0.085","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220177","8.3638","0.0008","13.8405","0.0012","11.1316","0.0011","90","","94.755","0.001","90","","1284.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","aniduquinolones A","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C54 H66 N2 O12 -","2","1","","Zhang, Peng; Meng, Ling-Hong; Mándi, Attila; Li, Xiao-Ming; Kurtán, Tibor; Wang, Bin-Gui","Structure, absolute configuration, and conformational study of resorcylic acid derivatives and related congeners from the fungus Penicillium brocae","RSC Advances","2015","5","50","39870","39877","10.1039/c5ra02203g","","","0.71073","MoKα","","0.0764","0.0496","","","0.0992","0.1069","","","","","","1.058","","","","has coordinates,has disorder","218749","2020-10-21","18:00:00",""
"7220178","8.1418","0.0016","12.894","0.003","10.541","0.002","90","","105.75","0.03","90","","1065.1","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 Cl N4 O -","- C26 H23 Cl N4 O -","- C52 H46 Cl2 N8 O2 -","2","1","","Wang, Huanxia; Wu, Lulu; Wang, Youming; ZHOU, Zhenghong","Organocatalyzed asymmetric tandem Michael-cyclization reaction of 4-benzylidene-3-methylpyrazol-5-ones and malononitrile: Stereocontrolled construction of pyrano[2,3-c]pyrazole scaffold","RSC Adv.","2015","","","","","10.1039/C5RA04356E","","","0.71073","MoKα","","0.0414","0.0312","","","0.0797","0.0828","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220297","15.4619","0.0008","16.9321","0.0008","19.698","0.001","90","","110.386","0.005","90","","4834","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C146 H48 B2 Cl4 N12 O2 -","- C146 H48 B2 Cl4 N12 O2 -","- C292 H96 B4 Cl8 N24 O4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Coordination complex of boron subphthalocyanine (BSubPc) with fluorenone pinacolate: effective π‒π interaction of concave BSubPc macrocycle with fullerene C60","CrystEngComm","2015","17","21","3923","","10.1039/C5CE00754B","","","0.85507","synchrotron","","0.1058","0.0808","","","0.1919","0.2045","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220307","3.9134","0.0001","10.8096","0.0002","13.8568","0.0003","90","","96.907","0.001","90","","581.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-bromophenyl)-pyrazolo[1,5-a]pyrimidine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C26 H20 Br2 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0759","0.0464","","","0.1055","0.1173","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220312","7.4329","0.0002","6.7756","0.0002","11.1667","0.0003","90","","90.276","0.001","90","","562.37","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo-2-methyl-7-tricholomethylpyrazolo[1,5-a]pyrimidine","","- C8 H5 Br Cl3 N3 -","- C8 H5 Br Cl3 N3 -","- C16 H10 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0482","0.0362","","","0.0954","0.1008","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220313","9.6363","0.0003","6.9353","0.0002","9.8541","0.0003","90","","111.24","0.002","90","","613.82","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo -2,5-dimethyl-7-trichoromethylpyrazolo[1,5-a]pyrimidine","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C18 H14 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0578","0.0416","","","0.1251","0.1357","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220402","11.9663","0.0017","9.6417","0.0014","23.758","0.003","90","","99.533","0.002","90","","2703.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C16 H40 Cl3 Cr N4 O2 S2 -","- C16 H40 Cl3 Cr N4 O2 S2 -","- C64 H160 Cl12 Cr4 N16 O8 S8 -","4","2","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.047","0.038","","","0.0887","0.0921","","","","","","1.091","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220404","11.171","0.004","7.283","0.002","15.335","0.005","90","","101.113","0.005","90","","1224.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3","","","- C18 H34 Cr N7 O8 -","- C18 H34 Cr N7 O8 -","- C36 H68 Cr2 N14 O16 -","2","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0712","0.0638","","","0.1646","0.1697","","","","","","1.083","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220410","8.6065","0.0001","7.1858","0.0001","11.184","0.0002","90","","110.985","0.001","90","","645.794","0.017","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxy-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.0318","0.0308","","","0.0829","0.084","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220460","6.3847","0.0012","21.746","0.004","10.1336","0.0019","90","","105.085","0.004","90","","1358.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H22 Mn N2 O7 -","- C32 H22 Mn N2 O7 -","- C64 H44 Mn2 N4 O14 -","2","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.0594","0.0509","","","0.1385","0.1445","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220495","9.4866","0.0003","6.769","0.0002","15.3967","0.0005","90","","105.73","0.003","90","","951.67","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 K Li O11 -","- C16 H16 K Li O11 -","- C32 H32 K2 Li2 O22 -","2","1","","Meenakshisundaram, SP.; Manonmoni, J. Vijila; Ramasamy, G.; Amutha, M.; Prasad, A. Aditya","Synthesis, growth, structure and characterization of potassium lithium hydrogen phthalate mixed crystals","RSC Adv.","2015","","","","","10.1039/C5RA05634A","","","0.71073","MoKα","","0.0256","0.0246","","","0.0666","0.0676","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220645","8.5515","0.0014","11.72","0.003","11.059","0.002","90","","100.72","0.017","90","","1089","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O7 -","- C24 H23 N O7 -","- C48 H46 N2 O14 -","2","1","","Tiwari, Vinod K.; Mishra, Kunj B.; Mishra, Ram C.","First Noscapine Glycoconjugates inspired by Click Chemistry","RSC Adv.","2015","","","","","10.1039/C5RA07321A","","","0.71073","MoKα","","0.1587","0.1084","","","0.2392","0.2493","","","","","","1.191","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220658","8.6694","0.0004","17.8009","0.0008","12.8064","0.0006","90","","98.394","0.004","90","","1955.15","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-Bis(1-(pyrid-2-yl)ethylidene)hydrazine","","- C14 H14 N4 -","- C14 H14 N4 -","- C84 H84 N24 -","6","3","","Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree","Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines","RSC Adv.","2015","","","","","10.1039/C5RA09562J","","","0.71073","MoKα","","0.1044","0.0637","","","0.1609","0.19","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220720","14.239","0.0006","51.092","0.002","14.3358","0.0005","90","","118.806","0.003","90","","9138.7","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C350 H457 Cu16 N31 O44 -","- C350 H457 Cu16 N31 O44 -","- C350 H457 Cu16 N31 O44 -","1","0.5","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.1362","0.0777","","","0.1991","0.2448","","","","","","0.874","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220744","12.0978","0.0003","3.979","0.0001","15.5788","0.0004","90","","100.055","0.001","90","","738.4","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Parveen, Mehtab; Ahmad, Faheem; Malla, Ali Mohammed; Azaz, Shaista; Silva, Manuela Ramos; Silva, P. S. Pereira","[Et3NH][HSO4]-mediated functionalization of hippuric acid: an unprecedented approach to 4-arylidene-2-phenyl-5(4H)-oxazolones","RSC Adv.","2015","","","","","10.1039/C5RA09290F","","","0.71073","MoKα","","0.0422","0.0352","","","0.0877","0.0924","","","","","","1.04","","","","has coordinates","139039","2020-10-21","18:00:00",""
"7220753","13.157","0.0013","4.9083","0.0004","16.1242","0.0016","90","","113.135","0.003","90","","957.54","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.0723","0.0455","","","0.0932","0.1027","","","","","","0.996","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220754","13.076","0.006","4.887","0.002","18.998","0.009","90","","106.417","0.011","90","","1164.5","0.9","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C52 H58 N2 O12 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.1548","0.1269","","","0.3191","0.3389","","","","","","1.141","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220760","7.9614","0.0008","23.877","0.002","8.4244","0.0008","90","","109.146","0.003","90","","1512.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl Cu2 N6 O10 -","- C25 H33 Cl Cu2 N6 O10 -","- C50 H66 Cl2 Cu4 N12 O20 -","2","1","","Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction","RSC Adv.","2015","5","64","51730","","10.1039/C5RA06357D","","","0.71073","MoKα","","0.0744","0.0669","","","0.1913","0.1964","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220781","5.42511","0.00018","7.6161","0.0002","21.7672","0.0008","90","","91.546","0.003","90","","899.05","0.05","99.9","0.4","99.9","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","gliomasolide A","","- C18 H32 O4 -","- C18 H32 O4 -","- C36 H64 O8 -","2","1","","Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai","Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2","RSC Adv.","2015","","","","","10.1039/C5RA08559D","","x-ray","1.5418","CuKα","","0.0457","0.0445","","","0.1137","0.1151","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220846","11.6565","0.0009","5.2736","0.0004","13.0287","0.001","90","","103.783","0.006","90","","777.83","0.11","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Echeverria, Pierre-Georges; Cornil, Johan; Ferard, Charlene; Guérinot, Amandine; Cossy, Janine; Phansavath, Phannarath; Vidal, Virginie","Asymmetric transfer hydrogenation of α-amino β-keto ester hydrochlorides through dynamic kinetic resolution","RSC Adv.","2015","","","","","10.1039/C5RA10385A","","","1.54178","CuKα","","0.0652","0.0511","","0.1231","0.1113","0.1231","","","","","","0.9841","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220893","9.518","0.0012","6.7119","0.0009","11.6243","0.0014","90","","90.85","0.003","90","","742.52","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-bromo-4a-isopropyl-2-methyl-2,3,4,4a-tetrahydro-1H-carbazole","","- C16 H20 Br N -","- C16 H20 Br N -","- C32 H40 Br2 N2 -","2","1","","Khan, Maria Aqeel; Fazal-ur-Rehman, Saba; Hameed, Abdul; Kousar, Shazia; Dalvandi, Kourosh; Yousuf, Sammer; Choudhary, Muhammad I.; Basha, Fatima Z.","Regioselective Synthesis of Novel 2,3,4,4a-tetrahydro-1H-carbazoles and their Cholinesterase Inhibitory Activities","RSC Adv.","2015","","","","","10.1039/C5RA10461K","","","0.71073","MoKα","","0.0392","0.0302","","","0.0693","0.0726","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220973","14.782","0.0004","21.4253","0.0004","15.3447","0.0011","90","","90.858","0.007","90","","4859.3","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C97 H61 Cl16 N9 O11 Zn -","- C97 H61 Cl16 N9 O11 Zn -","- C194 H122 Cl32 N18 O22 Zn2 -","2","1","","Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr","Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines","RSC Adv.","2015","","","","","10.1039/C5RA09737A","","","0.71075","MoKα","","","0.0473","","","","0.1264","","","","","","1.057","","","","has coordinates","139907","2020-10-21","18:00:00",""
"7221541","13.7886","0.0002","7.5549","0.0001","15.5888","0.0002","90","","94.963","0.001","90","","1617.82","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl8 Co N3 -","- C24 H33 Cl8 Co N3 -","- C48 H66 Cl16 Co2 N6 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.0309","0.0264","","","0.0569","0.0587","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221542","13.9263","0.0014","7.5981","0.0006","15.8322","0.0013","90","","95.173","0.006","90","","1668.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl8 Co N3 -","- C24 H33 Cl8 Co N3 -","- C48 H66 Cl16 Co2 N6 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.0622","0.0401","","","0.0801","0.0894","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221543","13.9448","0.0002","7.5033","0.0001","14.4057","0.0002","90","","98.471","0.001","90","","1490.85","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Cl5 Co N3 -","- C24 H36 Cl5 Co N3 -","- C48 H72 Cl10 Co2 N6 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.0495","0.0378","","","0.0769","0.0816","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221546","7.6202","0.0008","19.01","0.003","10.1116","0.0008","90","","90.388","0.008","90","","1464.7","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Metacetamol, 3-Acetamidophenol","N-(3-Hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","","McGregor, Lindsay; Rychkov, Denis A.; Coster, Paul L.; Day, Sarah; Drebushchak, Valeri A.; Achkasov, Andrei F.; Nichol, Gary S.; Pulham, Colin R.; Boldyreva, Elena V.","A new polymorph of metacetamol","CrystEngComm","2015","17","32","6183","","10.1039/C5CE00910C","","x-ray","1.54178","CuKα","","0.1251","0.1094","","","0.3354","0.3476","","","","","","1.055","","","","has coordinates","153129","2020-10-21","18:00:00",""
"7221569","8.9849","0.0006","5.7029","0.0003","17.1999","0.0011","90","","99.978","0.004","90","","867.99","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H20 O -","- C25 H20 O -","- C50 H40 O2 -","2","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0393","0.0358","","","0.0924","0.0952","","","","","","1.037","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221588","10.19159","0.00013","16.42204","0.00019","15.56239","0.00019","90","","107.073","0.0013","90","","2489.85","0.06","205","70","205","70","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N O10 Zn2 -","- C26 H21 N O10 Zn2 -","- C52 H42 N2 O20 Zn4 -","2","1","","Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng","Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand","RSC Adv.","2015","","","","","10.1039/C5RA10391F","","","1.54184","CuKα","","0.0467","0.0427","","","0.1128","0.1152","","","","","","1.105","","","","has coordinates","152155","2020-10-21","18:00:00",""
"7221589","11.415","0.003","7.683","0.003","13.493","0.003","90","","95.6","0.02","90","","1177.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cu2 N8 O2 -","- C25 H20 Cu2 N8 O2 -","- C50 H40 Cu4 N16 O4 -","2","1","","Fadaee, Farzaneh; Amirnasr, Mehdi; Prša, Krunoslav; Pattison, Philip; Shaik, Noore Elahi; Rønnow, Henrik M.; Esrafili, Mehdi D.; Omrani, Arash A.; Amiri, Ahmad; Schenk-Joß, Kurt","Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(ii) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties","RSC Adv.","2015","5","74","59926","","10.1039/C4RA13755H","","x-ray","0.69711","synchrotron","","0.0444","0.0404","","","0.0952","0.1006","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221610","5.7929","0.0003","14.5941","0.0005","10.674","0.0005","90","","105.323","0.005","90","","870.32","0.07","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","11-benzyl-5-nitro-11H-benzo[a]carbazole","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Wu, Lijun; Huang, Hui; Dang, Pan; Liang, Yun; Pi, Shaofeng","Construction of Benzo[a]carbazole Derivatives via Diels-Alder Reaction of Arynes with Vinylindoles","RSC Adv.","2015","","","","","10.1039/C5RA11025D","","","1.54184","CuKα","","0.0859","0.0846","","","0.2608","0.2617","","","","","","1.133","","","","has coordinates","152401","2020-10-21","18:00:00",""
"7221694","14.4387","0.0011","5.4586","0.0003","14.5272","0.0013","90","","117.943","0.011","90","","1011.48","0.17","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 O3 S -","- C22 H28 O3 S -","- C44 H56 O6 S2 -","2","1","","Kowalczyk, Rafał; Boratynski, Przemyslaw J.; Wierzba, Aleksandra J.; Bąkowicz, Julia","Site and stereoselectivity in sulfa-Michael addition to equivocally activated conjugated dienes","RSC Adv.","2015","","","","","10.1039/C5RA09631F","","","0.71073","MoKα","","0.0959","0.0609","","","0.1081","0.1219","","","","","","1.063","","","","has coordinates,has disorder","152660","2020-10-21","18:00:00",""
"7221751","7.8759","0.0001","5.7834","0.0001","13.323","0.0002","90","","93.877","0.001","90","","605.467","0.016","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0324","0.0303","","","0.0826","0.0853","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221753","8.1459","0.0009","5.8321","0.0006","15.364","0.0012","90","","102.919","0.005","90","","711.43","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0845","0.0498","","","0.1366","0.1646","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221755","8.067","0.002","5.7361","0.0015","17.495","0.005","90","","100.528","0.004","90","","795.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1394","0.0509","","","0.0782","0.0976","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221836","8.4267","0.0009","10.4362","0.0012","17.949","0.002","90","","100.189","0.007","90","","1553.6","0.3","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-methyl 2-(4-benzyl-1-(3-(dimethylamino)propyl)-8-nitro-3-oxo-3,4-dihydropyrazino[2,3-b]quinoxalin-2(1H)-ylidene)acetate","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C64 H60 N20 O12 -","4","2","","Kanungo, Ajay; Patra, Dipendu; Mukherjee, Sanghamitra; Mahata, Tridib; Maulik, Prakas R.; Dutta, Sanjay","Synthesis of a visibly emissive 9-nitro-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-5-amine scaffold with large stokes shift and live cell imaging","RSC Adv.","2015","5","87","70958","","10.1039/C5RA12960E","","","0.71073","MoKα","","0.1039","0.0451","","","0.0985","0.1245","","","","","","0.958","","","","has coordinates,has disorder","153543","2020-10-21","18:00:00",""
"7221856","15.097","0.003","8.94","0.0017","19.597","0.004","90","","105.171","0.003","90","","2552.8","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 Cr N4 O14 -","- C21 H25 Cr N4 O14 -","- C84 H100 Cr4 N16 O56 -","4","2","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.0394","0.0347","","","0.0818","0.086","","","","","","1.029","","","","has coordinates,has disorder","153574","2020-10-21","18:00:00",""
"7221934","6.7833","0.0005","12.2913","0.0007","14.6874","0.0007","90","","101.192","0.005","90","","1201.28","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O9 -","- C24 H36 O9 -","- C48 H72 O18 -","2","1","","Zhang, Jianlong; Chen, Zhi-Hua; Xu, Jun; Li, Juan; Tan, Ya-Fang; Zhou, Ju-Hua; Ye, Wen-Cai; Tian, Hai-Yan; Jiang, Renwang","New structures, chemotaxonomic significance and COX-2 inhibitory activities of cassane-type diterpenoids from the seeds of Caesalpinia minax","RSC Adv.","2015","","","","","10.1039/C5RA14221K","","","1.54184","CuKα","","0.0507","0.0433","","","0.1198","0.1448","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221953","5.982","0.0007","12.7479","0.0015","14.4154","0.0017","90","","95.467","0.003","90","","1094.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Fe2 N O -","- C28 H27 Fe2 N O -","- C56 H54 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0399","0.0375","","","0.0935","0.0949","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221956","6.012","0.003","12.956","0.006","14.4","0.007","90","","94.957","0.008","90","","1117.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N O -","- C29 H29 Fe2 N O -","- C58 H58 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0869","0.0556","","","0.1193","0.1331","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222088","12.8617","0.0008","13.7077","0.0008","14.5846","0.0009","90","","108.297","0.002","90","","2441.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1057","0.0696","","","0.1632","0.188","","","","","","1.062","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222089","12.8605","0.0014","13.7943","0.0015","14.5372","0.0016","90","","108.642","0.004","90","","2443.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1724","0.1032","","","0.2494","0.2982","","","","","","1.043","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222090","12.905","0.002","14.015","0.002","14.524","0.003","90","","109.18","0.004","90","","2481","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2358","0.1463","","","0.3412","0.4108","","","","","","1.039","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222091","12.8578","0.0011","14.1427","0.0012","14.4105","0.0013","90","","110.053","0.004","90","","2461.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2224","0.1038","","","0.2351","0.2969","","","","","","1.045","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222129","6.3846","0.0013","16.788","0.004","7.9738","0.0016","90","","92.052","0.004","90","","854.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O8 -","- C16 H24 N O7 -","- C32 H48 N2 O14 -","2","1","","Yue, Yongkang; Huo, Fangjun; Yin, Caixia; Chao, Jianbin; Yongbin Zhang, Yongbin Zhang; Wei, Xing","An ICT based ultraselective and sensitive fluorescent probe for detection of HClO in living cells","RSC Adv.","2015","5","95","77670","","10.1039/C5RA16097A","","","0.71073","MoKα","","0.0378","0.0368","","","0.0964","0.0975","","","","","","1.07","","","","has coordinates","156317","2020-10-21","18:00:00",""
"7222167","5.0662","0.0007","16.484","0.002","10.9207","0.0014","90","","100.049","0.002","90","","898","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","RRC4F","","","- C14 H12 F14 N2 O2 -","- C14 H12 F14 N2 O2 -","- C28 H24 F28 N4 O4 -","2","1","","Yajima, Tomoko; Tabuchi, Erika; Nogami, Emiko; Yamagishi, Akihiko; Sato, Hisako","Perfluorinated Gelators for Solidifying Fluorous Solvents:Effects of Chain Length and Molecular Chirality","RSC Adv.","2015","","","","","10.1039/C5RA12656H","","","0.71073","MoKα","","0.0378","0.0357","","","0.0913","0.093","","","","","","1.043","","","","has coordinates","156722","2020-10-21","18:00:00",""
"7222221","7.589","","8.11","","5.056","","90","","103.934","","90","","302.024","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zr (O3 P (C H2) P O3)","","- C H2 O6 P2 Zr -","- C O6 P2 Zr -","- C2 O12 P4 Zr2 -","2","1","","Serre, C.; Ferey, G.","Hydrothermal synthesis, structure determination from powder data of a three-dimensional zirconium diphosphonate with an exceptionally high thermal stability : Zr (O3 P - (C H2) - P O3) or MIL-57","Journal of Materials Chemistry","2002","12","","2367","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222233","5.8724","0.0003","8.1184","0.0003","17.0501","0.001","90","","94.221","0.005","90","","810.65","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C17.5 H19.5 N O3 -","- C35 H39 N2 O6 -","2","1","","Soni, Jigar Y.; Sanghvi, Shridhar; Devkar, Ranjitsinh V.; Thakore, Sonal","Synthesis and evaluation of novel quinuclidinone derivatives as potential anti-proliferative agents","RSC Adv.","2015","","","","","10.1039/C5RA15127A","","","1.54184","CuKα","","0.0878","0.085","","","0.243","0.2507","","","","","","1.31","","","","has coordinates","158179","2020-10-21","18:00:00",""
"7222239","12.2101","0.0002","17.3136","0.0003","20.6387","0.0004","90","","92.939","0.002","90","","4357.3","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cl2 Fe N10 O8 -","- C41 H48 Cl2 Fe N10 O8 -","- C164 H192 Cl8 Fe4 N40 O32 -","4","2","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0296","0.0282","","","0.0722","0.0727","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222244","5.7206","0.0011","13.677","0.003","9.6377","0.0019","90","","106.78","0.03","90","","722","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O6 -","- C14 H16 Cl N O6 -","- C28 H32 Cl2 N2 O12 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0369","0.033","","","0.0783","0.0807","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222273","10.6759","0.0006","7.0765","0.0004","14.7557","0.0009","90","","96.369","0.004","90","","1107.88","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cu N4 O6 -","- C24 H20 Cu N4 O6 -","- C48 H40 Cu2 N8 O12 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0473","0.0367","","","0.0684","0.0713","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222286","8.5776","0.0003","6.352","0.0002","19.1584","0.0008","90","","91.364","0.0009","90","","1043.55","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 N O9 S -","- C20 H25 N O9 S -","- C40 H50 N2 O18 S2 -","2","1","","Markad, Pramod R.; Rohokale, Rajendra S.; Pawar, Nitin J.; Dhavale, Dilip Dattatray","D-Glucose Based Synthesis of Proline-Serine C-C Linked Central and Right Hand Core of Kaitocephalin-a Glutamate Receptor Antagonist","RSC Adv.","2015","","","","","10.1039/C5RA17442B","","","0.71073","MoKα","","0.1095","0.0574","","","0.0858","0.0992","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222302","8.3781","0.0002","49.2719","0.0009","9.1582","0.0002","90","","115.792","0.002","90","","3403.93","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H40 N2 O2 -","- C45 H40 N2 O2 -","- C180 H160 N8 O8 -","4","2","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.0495","0.0472","","","0.112","0.1131","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222303","9.0299","0.0002","10.5552","0.0002","20.7459","0.0003","90","","94.859","0.002","90","","1970.24","0.06","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H44 Cl2 N2 O2 -","- C47 H44 Cl2 N2 O2 -","- C94 H88 Cl4 N4 O4 -","2","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.0366","0.0364","","","0.107","0.1073","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222305","9.4437","0.0001","15.706","0.0002","13.4756","0.0002","90","","93.428","0.001","90","","1995.16","0.04","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H44 N2 O2 -","- C54 H44 N2 O2 -","- C108 H88 N4 O4 -","2","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.031","0.0309","","","0.0787","0.0789","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222306","13.2132","0.0005","9.3519","0.0003","17.3912","0.0007","90","","107.395","0.004","90","","2050.72","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H44 N2 O2 -","- C56 H44 N2 O2 -","- C112 H88 N4 O4 -","2","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","0.71073","MoKα","","0.0471","0.0362","","","0.0687","0.0726","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222313","5.7818","","5.6077","","8.9849","","90","","102.89","","90","","283.973","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hg (I O3)2","","- Hg I2 O6 -","- Hg I2 O6 -","- Hg2 I4 O12 -","2","1","","Weil, M.","Dimorphism in mercury(II) iodate(V): preparation and thermal behaviour of alpha- and beta-(Hg (I O3)2) and single crystal structure analysis of beta-(Hg (I O3)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","627","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222344","5.1112","0.0003","10.022","0.0006","15.558","0.0009","90","","95.979","0.002","90","","792.61","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br F2 N O3 -","- C14 H18 Br F2 N O3 -","- C28 H36 Br2 F4 N2 O6 -","2","1","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","x-ray","0.71073","MoKα","","0.041","0.0329","","","0.0708","0.0774","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222407","8.035","0.0009","24.892","0.003","10.8856","0.0013","90","","111.56","0.004","90","","2024.9","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 N6 O12 Zn2 -","- C40 H36 N6 O12 Zn2 -","- C80 H72 N12 O24 Zn4 -","2","1","","Paul, Anup; Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Amide Functionalized Metal Organic Frameworks for Diastereoselective Nitroaldol (Henry) Reaction in Aqueous Medium","RSC Adv.","2015","","","","","10.1039/C5RA14637B","","","0.71073","MoKα","","0.0322","0.0318","","","0.0795","0.0801","","","","","","1.109","","","","has coordinates","159570","2020-10-21","18:00:00",""
"7222439","4.92","0.001","15.711","0.003","18.775","0.004","90","","92.98","0.03","90","","1449.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Au Cl2 N2 O3 -","- C33 H29 Au Cl2 N2 O3 -","- C66 H58 Au2 Cl4 N4 O6 -","2","1","","Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah","Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions","CrystEngComm","2015","17","42","8153","","10.1039/C5CE01136A","","","0.85","","","0.0503","0.0502","","","0.1321","0.1323","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222580","6.9643","","7.055","","8.4002","","90","","108.12","","90","","392.26","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Eu2 Ge Se4 -","- Eu2 Ge Se4 -","- Eu4 Ge2 Se8 -","2","1","","Tampier, M.; Kotzyba, G.; Johrendt, D.; Rosenhahn, C.; Poettgen, R.; Mosel, B.D.","Crystal structures and properties of Eu2 Ge Se4 and Eu2 Ge2 Se5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222822","8.5767","","13.0703","","9.3381","","90","","102.03","","90","","1023.81","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","((N H3)3 H) ((N H3)4 H)2 (Sb S4)","","- H36 N11 S4 Sb -","- H36 N11 S4 Sb -","- H72 N22 S8 Sb2 -","2","1","","Rossmeier, T.; Korber, N.","Erstmalige Charakterisierung der Ammoniak-Proton-Komplexe ((N H3)3 H)(+) und ((N H3)4 H)(+) in den Kristallstrukturen von (N H4)3 As S4 * 5(N H3) und (N H4)3 Sb S4 * 8(N H3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","672","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222916","8.5224","0.0004","10.305","0.0005","9.1442","0.0004","90","","90.3404","0.0011","90","","803.06","0.06","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","2","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","1.54178","CuKα","","0.0547","0.0547","","","0.152","0.152","","","","","","1.005","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7222917","8.5211","0.0003","10.3039","0.0003","9.1547","0.0003","90","","90.365","0.0008","90","","803.77","0.05","120","0.2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","2","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","1.54178","CuKα","","0.0515","0.0513","","","0.1451","0.1455","","","","","","1.103","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7223026","8.3295","0.0006","14.1464","0.001","8.8132","0.0006","90","","103.153","0.0019","90","","1011.24","0.12","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","dithieno[3,2-b:2',3'-d]phosphole","","","- C26 H16 N O P S2 -","- C26 H16 N O P S2 -","- C52 H32 N2 O2 P2 S4 -","2","1","","Puntscher, Hannes; Kautny, Paul; Stoeger, Berthold; Tissot, Antoine; Hametner, Christian; Hagemann, Hans; Fröhlich, Johannes; Baumgartner, Thomas; Lumpi, Daniel","Structure-Property Studies of P-Triarylamine-Substituted Dithieno[3,2-b:2',3'-d]phospholes","RSC Adv.","2015","","","","","10.1039/C5RA13651B","","x-ray","0.71069","MoKα","","0.0201","0.0198","","","0.0272","0.0273","","","","1.92","1.92","1.92","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7223082","6.2648","0.0003","33.5254","0.0016","6.9559","0.0003","90","","107.704","0.002","90","","1391.76","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","sinensine G","","- C31 H52 O4 -","- C31 H52 O4 -","- C62 H104 O8 -","2","1","","Peng, xingrong; Wang, Xia; Zhou, lin; Hou, Bo; Zuo, Zhi-Li; Qiu, Minghua","Ganocochlearic Acid A, A Rearranged Hexanorlanostane Triterpenoid, and Cytotoxic Triterpenoids from the Fruiting Bodies of Ganoderma cochlear","RSC Adv.","2015","","","","","10.1039/C5RA16796E","","","1.54178","CuKα","","0.0598","0.0597","","","0.1645","0.1646","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223092","9.6537","0.0004","8.3429","0.0003","17.285","0.0007","90","","91.145","0.004","90","","1391.85","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","tauroursodeoxycholic acid","","- C26 H49 N O8 S -","- C26 H49 N O8 S -","- C52 H98 N2 O16 S2 -","2","1","","Xu, Kailin; Zheng, Shoujun; Guo, Liuqi; Li, Shanshan; Wang, Lili; Tang, Peixiao; Yan, Jin; Wu, Di; Li, Hui","Four solid forms of tauroursodeoxycholic acid and solid-state transformations: effects of temperature and milling","RSC Adv.","2015","","","","","10.1039/C5RA18985C","","","0.71073","MoKα","","0.0562","0.0424","","","0.0862","0.0938","","","","","","1.036","","","","has coordinates","169887","2020-10-21","18:00:00",""
"7223122","8.1696","0.0003","5.6053","0.0002","18.9321","0.0009","90","","98.82","0.002","90","","856.71","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.1305","0.0044","","","0.0054","0.0157","","","","","","0.092","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223206","5.8376","0.0002","11.9174","0.0004","12.2331","0.0005","90","","94.745","0.004","90","","848.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O7 -","- C19 H21 N O7 -","- C38 H42 N2 O14 -","2","1","","Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.","Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents","RSC Adv.","2015","5","116","96222","","10.1039/C5RA19192K","","","0.71073","MoKα","","0.045","0.0346","","","0.075","0.0776","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223207","5.9539","0.0002","5.7856","0.0002","25.961","0.0011","90","","91.139","0.004","90","","894.1","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 O7 -","- C19 H19 N3 O7 -","- C38 H38 N6 O14 -","2","1","","Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.","Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents","RSC Adv.","2015","5","116","96222","","10.1039/C5RA19192K","","x-ray","0.71073","MoKα","","0.0557","0.0417","","","0.0815","0.0978","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223208","12.9648","0.0008","23.1129","0.0013","13.4817","0.0008","90","","109.069","0.002","90","","3818.2","0.4","297.04","","297.04","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 La2 N4 O12 -","- C84 H82 La2 N4 O12 -","- C168 H164 La4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0591","0.0401","","","0.0705","0.0779","","","","","","1.045","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223209","12.9263","0.0007","23.1494","0.0014","13.4675","0.0008","90","","109.157","0.001","90","","3806.8","0.4","297.7","","297.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Ce2 N4 O12 -","- C84 H82 Ce2 N4 O12 -","- C168 H164 Ce4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0354","0.0277","","","0.052","0.0552","","","","","","1.061","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223210","12.8915","0.0006","23.1403","0.0011","13.4533","0.0006","90","","109.287","0.001","90","","3788.1","0.3","297.65","","297.65","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 O12 Pr2 -","- C84 H82 N4 O12 Pr2 -","- C168 H164 N8 O24 Pr4 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0524","0.0324","","","0.0539","0.0588","","","","","","1.01","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223211","12.8651","0.0006","23.1584","0.001","13.4478","0.0006","90","","109.408","0.001","90","","3778.9","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 Nd2 O12 -","- C84 H82 N4 Nd2 O12 -","- C168 H164 N8 Nd4 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0412","0.033","","","0.0597","0.0634","","","","","","1.107","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223212","12.81","0.002","23.16","0.004","13.434","0.002","90","","109.337","0.004","90","","3760.8","1","299.26","","299.26","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 O12 Sm2 -","- C84 H82 N4 O12 Sm2 -","- C168 H164 N8 O24 Sm4 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0457","0.0324","","","0.0552","0.059","","","","","","1.038","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223213","12.7972","0.0017","23.189","0.003","13.4405","0.0018","90","","109.241","0.003","90","","3765.7","0.9","298","2","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Eu2 N4 O12 -","- C84 H82 Eu2 N4 O12 -","- C168 H164 Eu4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0426","0.0377","","","0.0783","0.0829","","","","","","1.24","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223214","12.8326","0.0006","22.9406","0.001","13.4767","0.0006","90","","109.053","0.001","90","","3750","0.3","298.84","","298.84","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Gd2 N4 O12 -","- C84 H82 Gd2 N4 O12 -","- C168 H164 Gd4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0402","0.0295","","","0.0484","0.0512","","","","","","1.06","","","","has coordinates","170258","2020-10-21","18:00:00",""
"7223215","12.8517","0.0015","22.976","0.003","13.4781","0.0015","90","","109.129","0.003","90","","3760.1","0.8","299","2","299.28","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 O12 Tb2 -","- C84 H82 N4 O12 Tb2 -","- C168 H164 N8 O24 Tb4 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0314","0.0296","","","0.0686","0.0711","","","","","","1.237","","","","has coordinates","170258","2020-10-21","18:00:00",""
"7223216","12.8518","0.0008","22.9659","0.0014","13.455","0.0008","90","","109.12","0.002","90","","3752.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Dy2 N4 O12 -","- C84 H82 Dy2 N4 O12 -","- C168 H164 Dy4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.1027","0.0987","","","0.2125","0.2143","","","","","","1.28","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223217","12.819","0.003","22.916","0.004","13.425","0.003","90","","109.174","0.004","90","","3725","1.4","301","2","301","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Ho2 N4 O12 -","- C84 H82 Ho2 N4 O12 -","- C168 H164 Ho4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.08","0.0419","","","0.0488","0.0551","","","","","","0.967","","","","has coordinates","170258","2020-10-21","18:00:00",""
"7223253","5.8267","0.0003","11.0347","0.0005","21.6517","0.0014","90","","97.322","0.005","90","","1380.76","0.13","294","2","294","2","","","","","","","synthetic","3","P 1 21 1","P 2yb","4","","8-isobutyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","2","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0572","0.0449","","","0.1111","0.1229","","","","","","1.059","","","","has coordinates,has disorder","170310","2020-10-21","18:00:00",""
"7223369","13.029","0.003","9.107","0.002","13.565","0.003","90","","116.569","0.004","90","","1439.6","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O11 -","- C30 H30 N2 O11 -","- C60 H60 N4 O22 -","2","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0549","0.0459","","","0.1026","0.1109","","","","","","1.142","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223383","10.7274","0.0004","10.1113","0.0007","20.9352","0.0011","90","","99.118","0.004","90","","2242.1","0.2","109.7","","109.7","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","2","","Guo, Hongchao; Gao, Zhenzhen; Wang, Chang; Yuan, Chunhao; Zhou, Leijie; Sun, Zhanhu; Xiao, Yumei","Phosphine-Catalyzed Asymmetric [3 + 2] Annulation of Chalcones with Allenoates for Enantioselective Synthesis of Functionalized Cyclopentenes","RSC Adv.","2015","","","","","10.1039/C5RA20603K","","","1.5418","CuKα","","0.0415","0.0391","","","0.1006","0.1032","","","","","","1.04","","","","has coordinates","170649","2020-10-21","18:00:00",""
"7223403","13.6976","0.0007","16.1004","0.0008","14.1055","0.0007","90","","92.642","0.002","90","","3107.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H72 Br12 N6 S4 Zn -","- C39 H72 Br12 N6 S4 Zn -","- C78 H144 Br24 N12 S8 Zn2 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Vinakos, Michael K.","From single-point to three-point halogen bonding between zinc(ii) tetrathiocyanate and tetrabromomethane","CrystEngComm","2016","18","3","488","","10.1039/C5CE02125A","","","0.71073","MoKα","","0.069","0.0395","","","0.0816","0.0851","","","","","","1.03","","","","has coordinates","175952","2020-10-21","18:00:00",""
"7223426","7.0513","0.0003","7.6501","0.0002","15.5178","0.0007","90","","101.367","0.001","90","","820.66","0.06","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O Si -","- C16 H21 Br O Si -","- C32 H42 Br2 O2 Si2 -","2","1","","Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L.","Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction.","Physical chemistry chemical physics : PCCP","2016","18","3","1720","1726","10.1039/c5cp04994f","","x-ray","0.71073","MoKα","","0.0206","0.0186","","","0.0424","0.043","","","","","","0.874","","","","has coordinates","176203","2020-10-21","18:00:00",""
"7223455","11.1067","0.0005","8.7283","0.0003","11.1168","0.0005","90","","113.959","0.002","90","","984.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","XEBOCA","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sousa, Carlos A. D.; Sampaio-Dias, Ivo E.; Rizzo-Aguiar, Fabio; Garcia-Mera, Xerardo; Rodríguez-Borges, José E.","Enantiopure synthesis of 7-(1-pyrindanyl)propargyl ethers as rasagiline analogues via chemical or enzymatic resolution of 1-pyrindan-7-ol","RSC Adv.","2015","5","126","104509","","10.1039/C5RA24868J","","x-ray","0.71073","MoKα","","0.0464","0.0386","","","0.09","0.094","","","","","","1.025","","","","has coordinates","171442","2020-10-21","18:00:00",""
"7223468","5.7083","0.0003","12.891","0.0006","12.364","0.0006","90","","92.415","0.005","90","","909.01","0.08","291","2","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br2 N3 O Pd -","- C17 H17 Br2 N3 O Pd -","- C34 H34 Br4 N6 O2 Pd2 -","2","1","","Yang, Liangru; Yuan, Jinwei; Mao, Pu; Guo, Qi","Chelating Palladium Complexes Containing Pyridine/pyrimidine Hydroxyalkyl Di-functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity towards C-H Activation","RSC Adv.","2015","","","","","10.1039/C5RA21183B","","","1.54184","CuKα","","0.059","0.0562","","","0.1457","0.1518","","","","","","1.041","","","","has coordinates","171461","2020-10-21","18:00:00",""
"7223486","12.474","0.003","6.1241","0.0017","19.93","0.006","90","","100.744","0.006","90","","1495.8","0.7","293","2","293","2","","","","","","","lithocholic acid","5","P 1 21 1","P 2yb","4","","MSW-167","","- C33 H45 Cl N2 O3 -","- C33 H45 Cl N2 O2.9 -","- C66 H90 Cl2 N4 O5.8 -","2","1","","Mao, Shi-Wei; Shuai, Lin; He, Hai-Bing; Pan, Na; Gao, Li-Xin; Yu, Li-Fang; Li, Jia; Li, Jing-Ya; Yang, Fan","Synthesis and biological evaluation of novel 2,3-pyrazole ring-substituted-4,4-dimethyl lithocholic acid derivatives as selective protein tyrosine phosphatase 1B (PTP1B) inhibitors with cellular efficacy","RSC Adv.","2015","5","129","106551","","10.1039/C5RA20238H","","","0.71073","MoKα","","0.115","0.0591","","","0.1311","0.1582","","","","","","0.915","","","","has coordinates,has disorder","171546","2020-10-21","18:00:00",""
"7223608","8.5566","0.0003","19.856","0.0007","11.1842","0.0003","90","","100.397","0.003","90","","1868.99","0.11","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H43 Cl Co Mn N6 O6 -","- C40 H43 Cl Co Mn N6 O6 -","- C80 H86 Cl2 Co2 Mn2 N12 O12 -","2","1","","Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas","Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes","RSC Adv.","2015","","","","","10.1039/C5RA23922B","","","0.71073","MoKα","","0.0317","0.0272","","","0.0596","0.0606","","","","","","0.978","","","","has coordinates","171720","2020-10-21","18:00:00",""
"7223609","8.5862","0.0003","19.6159","0.0008","11.3835","0.0004","90","","100.884","0.004","90","","1882.79","0.12","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H43 Br Co Mn N6 O6 -","- C40 H43 Br Co Mn N6 O6 -","- C80 H86 Br2 Co2 Mn2 N12 O12 -","2","1","","Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas","Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes","RSC Adv.","2015","","","","","10.1039/C5RA23922B","","","0.71073","MoKα","","0.0376","0.0297","","","0.056","0.0574","","","","","","0.933","","","","has coordinates","171720","2020-10-21","18:00:00",""
"7223748","6.2841","0.0003","31.683","0.0016","10.093","0.0005","90","","93.1715","0.0017","90","","2006.43","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H74 O5 Si -","- C39 H74 O5 Si -","- C78 H148 O10 Si2 -","2","1","","Bai, Shujin; Wu, Zhi-Yong; Huang, Qingyun; Zhang, Li; Chen, Pengwei; Wang, Cong; Zhang, Xiuli; Wang, Peng; Li, Ming","Efforts to Total Synthesis of Philinopside E: Convergent Synthesis of the Sulfated Lanostane-Type Tetraglycoside","RSC Adv.","2016","","","","","10.1039/C5RA25845F","","","0.71073","MoKα","","0.0652","0.0506","","","0.1033","0.1094","","","","","","0.979","","","","has coordinates","173563","2020-10-21","18:00:00",""
"7223800","5.1361","0.0003","8.6117","0.0005","15.789","0.0008","90","","96.403","0.005","90","","694","0.07","291.85","0.1","291.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O5 S -","- C13 H18 O5 S -","- C26 H36 O10 S2 -","2","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0366","0.0345","","","0.0837","0.0856","","","","","","1.034","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223801","11.1679","0.0007","7.7832","0.0005","19.3582","0.0013","90","","100.192","0.007","90","","1656.1","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O5.5 S -","- C16 H23 O5.5 S -","- C64 H92 O22 S4 -","4","2","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0835","0.0655","","","0.1126","0.1213","","","","","","1.049","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223834","10.5276","0.0008","11.0184","0.0008","12.8075","0.0008","90","","100.792","0.007","90","","1459.36","0.18","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C52 H76 N8 O12 -","2","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","","0.71073","MoKα","","0.1416","0.079","","","0.1865","0.2206","","","","","","0.963","","","","has coordinates,has disorder","185173","2020-10-21","18:00:00",""
"7223886","6.9542","0.0005","7.8665","0.0006","21.0214","0.0015","90","","95.599","0.004","90","","1144.49","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-[[4-(n-propyl)phenyl]ethynyl]estra-1,3,5(10)-trien-17-one","","- C29 H30 O -","- C29.015 H30.012 O -","- C58.03 H60.024 O2 -","2","1","","Ivanov, Anton; Boldt, Sebastian; Nisa, Zaib un; Shah, Syed; Ehlers, Peter; Villinger, Alexander; Schneider, Gyula; Wölfling, János; Rahman, Qamar; Iqbal, Jamshed; Langer, Peter","Synthesis and Phosphatase Inhibitory Activity of 3-Alkynylestrones and their Derivatives","RSC Adv.","2016","","","","","10.1039/C5RA25558A","","","0.71073","MoKα","","0.0913","0.0531","","","0.1184","0.1369","","","","","","1.016","","","","has coordinates,has disorder","174500","2020-10-21","18:00:00",""
"7223942","9.9041","0.001","10.0867","0.0009","10.6948","0.0009","90","","94.617","0.008","90","","1064.94","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O8 S -","- C18 H23 N3 O8 S -","- C36 H46 N6 O16 S2 -","2","1","","Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K.","Synthesis of 3′-azido/-amino-xylobicyclonucleosides","RSC Adv.","2016","","","","","10.1039/C5RA25222A","","","0.71073","MoKα","","0.0711","0.0496","","","0.1339","0.1647","","","","","","0.839","","","","has coordinates","174611","2020-10-21","18:00:00",""
"7223943","6.5121","0.0016","6.8206","0.0014","13.045","0.004","90","","93.72","0.03","90","","578.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C20 H22 N10 O10 -","2","1","","Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K.","Synthesis of 3′-azido/-amino-xylobicyclonucleosides","RSC Adv.","2016","","","","","10.1039/C5RA25222A","","","0.71073","MoKα","","0.0867","0.0652","","","0.1776","0.2016","","","","","","0.911","","","","has coordinates","174611","2020-10-21","18:00:00",""
"7223951","9.1961","0.0005","18.5027","0.001","14.0562","0.0008","90","","96.081","0.002","90","","2378.2","0.2","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H43 Cl6 Fe3 N P2 -","- C48 H43 Cl6 Fe3 N P2 -","- C96 H86 Cl12 Fe6 N2 P4 -","2","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.0382","0.0313","","","0.0631","0.0653","","","","","","1.02","","","","has coordinates,has disorder","174677","2020-10-21","18:00:00",""
"7223952","9.3238","0.0003","18.863","0.0007","13.904","0.0005","90","","97.689","0.002","90","","2423.38","0.15","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C48 H46 B Br2 Cl4 Fe3 N P2 -","- C48 H46 B Br2 Cl4 Fe3 N P2 -","- C96 H92 B2 Br4 Cl8 Fe6 N2 P4 -","2","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.0432","0.0356","","","0.0767","0.079","","","","","","0.993","","","","has coordinates","174677","2020-10-21","18:00:00",""
"7223953","9.3149","0.0003","18.7337","0.0007","13.9965","0.0005","90","","97.3358","0.0014","90","","2422.43","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","(SFc,SFc)-11","","","- C48 H43 Br2 Cl4 Fe3 N P2 -","- C48 H42.996 Br2 Cl3.996 Fe3 N P2 -","- C96 H85.992 Br4 Cl7.992 Fe6 N2 P4 -","2","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.0311","0.0284","","","0.065","0.0665","","","","","","1.025","","","","has coordinates,has disorder","174677","2020-10-21","18:00:00",""
"7223976","8.7897","0.0002","6.1726","0.0001","25.1531","0.0007","90","","91.5255","0.0011","90","","1364.21","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Diltiazem nicotinate","","","- C28 H31 N3 O6 S -","- C28 H31 N3 O6 S -","- C56 H62 N6 O12 S2 -","2","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.115","0.0642","","","0.1017","0.1187","","","","","","1.045","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7224009","10.8016","0.0004","20.409","0.0008","12.8547","0.0005","90","","105.973","0.002","90","","2724.41","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H56 Cl Co N8 O26 S4 U2 -","- C38 H50 Cl Co N8 O26 S4 U2 -","- C76 H100 Cl2 Co2 N16 O52 S8 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0386","0.0338","","","0.1163","0.1194","","","","","","1.071","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224066","6.208","0.001","7.218","0.001","12.496","0.001","90","","102.22","","90","","547.25","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","phenyl trimethyloxyammonium phosphate","phenyl (trimethylammonio) phosphate","","- C9 H14 N O4 P -","- C9 H14 N O4 P -","- C18 H28 N2 O8 P2 -","2","1","","Materna, Magdalena; Stawinski, Jacek; Kiliszek, Agnieszka; Rypniewski, Wojciech; Sobkowski, Michal","Oxyonium phosphobetaines ‒ unusually stable nucleophilic catalyst-phosphate complexes formed from H-phosphonates and N-oxides","RSC Adv.","2016","","","","","10.1039/C5RA27465F","","","0.88561","synchrotron","","0.0256","0.025","","","0.0647","0.0651","","","","","","1.046","","","","has coordinates","175318","2020-10-21","18:00:00",""
"7224109","9.919","0.006","16.851","0.01","10.145","0.006","90","","93.18","0.011","90","","1693.1","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O12 Zn2 -","- C28 H36 N4 O12 Zn2 -","- C56 H72 N8 O24 Zn4 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.1087","0.0651","","","0.1509","0.1771","","","","","","0.977","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224113","7.5292","0.0005","5.7936","0.0003","13.9668","0.0009","90","","93.766","0.004","90","","607.93","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","An efficient synthesis of N-nitrosamines under solvent, metal and acid free conditions using tert-butyl nitrite","Green Chem.","2016","18","8","2323","","10.1039/C5GC02880A","","","0.71073","MoKα","","0.0381","0.0299","","","0.0652","0.0712","","","","","","1.046","","","","has coordinates","182762","2020-10-21","18:00:00",""
"7224178","6.6553","0.0001","16.3426","0.0004","10.2145","0.0002","90","","97.865","0.001","90","","1100.53","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H9 Br2 Cl3 I4 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C26 H18 Br4 Cl6 I4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0308","0.0239","","","0.0542","0.0558","","","","","","0.994","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224271","12.373","0.002","16.272","0.003","19.788","0.004","90","","99.265","0.003","90","","3932","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H46 Cl4 Cu N2 -","- C41 H46 Cl4 Cu N2 -","- C164 H184 Cl16 Cu4 N8 -","4","2","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.1533","0.0691","","","0.1408","0.18","","","","","","0.966","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224406","10.8492","0.0006","20.9713","0.0008","11.4872","0.0006","90","","107.111","0.006","90","","2497.9","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 N4 O20 -","- C48 H64 N4 O20 -","- C96 H128 N8 O40 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0814","0.0668","","","0.1763","0.1896","","","","","","1.024","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224464","10.0734","0.00018","9.87893","0.00013","11.00555","0.00018","90","","107.657","0.0019","90","","1043.61","0.03","173","0.2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-oxo-7R-coronaridine hydroxyindolenine","","- C23 H27 N3 O4 -","- C23 H27 N3 O4 -","- C46 H54 N6 O8 -","2","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0244","0.0243","","","0.0634","0.0635","","","","","","1.048","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224465","9.7015","0.0008","10.7426","0.0008","10.0282","0.001","90","","107.663","0.01","90","","995.86","0.16","173","0.3","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3S-(24S-hydroxyethyl)-coronaridine","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C46 H60 N4 O6 -","2","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0536","0.0468","","","0.1104","0.1185","","","","","","1.071","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224575","13.7632","0.0003","7.3472","0.0002","18.3748","0.0004","90","","107.385","0.002","90","","1773.2","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C64 H124 N4 O16 S4 -","4","2","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","1.54178","CuKα","","0.0354","0.0292","","","0.0795","0.0857","","","","","","0.992","","","","has coordinates","182655","2020-10-21","18:00:00",""
"7224576","9.3694","0.0003","7.3823","0.0002","13.8573","0.0004","90","","105.537","0.003","90","","923.45","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C32 H62 N2 O8 S2 -","2","1","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","0.71073","MoKα","","0.0547","0.0481","","","0.13","0.1372","","","","","","1.043","","","","has coordinates,has disorder","182655","2020-10-21","18:00:00",""
"7224641","8.085","0.005","6.71","0.004","10.341","0.006","90","","93.418","0.009","90","","560","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 F3 N2 O2 -","- C10 H7 F3 N2 O2 -","- C20 H14 F6 N4 O4 -","2","1","","Jakhar, Ajay; Kumari, Prathibha; Nazish, Mohd; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh","Catalytic asymmetric synthesis of enantioenriched β-nitronitrile bearing a C-CF3 stereogenic center","RSC Adv.","2016","","","","","10.1039/C6RA00093B","","","0.71073","MoKα","","0.1184","0.0902","","","0.1719","0.1827","","","","","","1.187","","","","has coordinates","178328","2020-10-21","18:00:00",""
"7224652","9.4321","0.0019","23.555","0.005","16.669","0.003","90","","102.81","0.03","90","","3611.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H47 La2 O31 -","- C58 H47 La2 O31 -","- C116 H94 La4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0593","0.0497","","","0.1334","0.1475","","","","","","1.054","","","","has coordinates,has disorder","182657","2020-10-21","18:00:00",""
"7224653","9.4048","0.0019","23.598","0.005","16.683","0.003","90","","102.47","0.03","90","","3615.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 Ce2 O31 -","- C58 H48 Ce2 O31 -","- C116 H96 Ce4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0735","0.055","","","0.1364","0.1472","","","","","","0.981","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224654","9.333","0.0009","23.444","0.002","16.4638","0.0015","90","","103.628","0.001","90","","3500.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 O31 Pr2 -","- C58 H48 O31 Pr2 -","- C116 H96 O62 Pr4 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0513","0.0475","","","0.1284","0.1321","","","","","","1.055","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224655","9.3238","0.0019","23.424","0.005","16.73","0.003","90","","102.7","0.03","90","","3564.5","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H45 Nd2 O31 -","- C57 H45 Nd2 O31 -","- C114 H90 Nd4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0759","0.0558","","","0.1435","0.1784","","","","","","1.081","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224714","11.074","0.003","9.322","0.002","12.53","0.003","90","","107.562","0.014","90","","1233.2","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Piv-Gly-L-Pro-SAnt-NH-IBu","","- C22 H34 N4 O5 S -","- C22 H34 N4 O5 S -","- C44 H68 N8 O10 S2 -","2","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0429","0.0387","","","0.0828","0.0849","","","","","","1.062","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224715","10.3453","0.0004","11.3579","0.0004","11.0517","0.0004","90","","95.026","0.002","90","","1293.59","0.08","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Piv-D-Pro-L-Pro-SAnt-NH-IBu","","- C25 H38 N4 O5 S -","- C25 H38 N4 O5 S -","- C50 H76 N8 O10 S2 -","2","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0328","0.0306","","","0.0679","0.0689","","","","","","1.053","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224717","9.9914","0.0002","21.9595","0.0004","14.1883","0.0003","90","","109.928","0.001","90","","2926.6","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Boc-L-tert-Leu-L-Pro-SAnt-NH-IBu","","- C26 H42 N4 O6 S -","- C26 H42 N4 O6 S -","- C104 H168 N16 O24 S4 -","4","2","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0561","0.0467","","","0.0759","0.0796","","","","","","1.07","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224722","5.059","0.005","10.704","0.012","11.363","0.012","90","","101.62","0.02","90","","602.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 F O4 -","- C12 H13 F O4 -","- C24 H26 F2 O8 -","2","1","","Mo, Yuanzhao; Nie, HuiFang; Lei, Yang; Zhang, Dongxu; Li, XiaoYe; Wang, QiaoFeng; zhang, shengyong","Asymmetric Transfer Hydrogenation of γ-aryl α, γ-dioxo-butyric acid esters","RSC Adv.","2016","","","","","10.1039/C6RA02500E","","","0.71073","MoKα","","0.1518","0.0777","","","0.1627","0.1941","","","","","","1.064","","","","has coordinates","179728","2020-10-21","18:00:00",""
"7224723","5.0181","0.0011","11.253","0.002","22.901","0.005","90","","90.618","0.004","90","","1293.1","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","2","","Mo, Yuanzhao; Nie, HuiFang; Lei, Yang; Zhang, Dongxu; Li, XiaoYe; Wang, QiaoFeng; zhang, shengyong","Asymmetric Transfer Hydrogenation of γ-aryl α, γ-dioxo-butyric acid esters","RSC Adv.","2016","","","","","10.1039/C6RA02500E","","","0.71073","MoKα","","0.0868","0.0538","","","0.1144","0.1303","","","","","","1.035","","","","has coordinates","179728","2020-10-21","18:00:00",""
"7224830","9.572","0.0004","10.428","0.0004","14.478","0.0007","90","","105.083","0.004","90","","1395.36","0.11","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H44 Ir2 N2 O -","- C32 H44 Ir2 N2 O -","- C64 H88 Ir4 N4 O2 -","2","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.072","0.0615","","","0.1541","0.1609","","","","","","0.97","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224831","11.705","0.0005","9.417","0.0004","12.445","0.0005","90","","113.115","0.003","90","","1261.64","0.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H40 Ir2 N2 O -","- C27 H40 Ir2 N2 O -","- C54 H80 Ir4 N4 O2 -","2","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0284","0.0263","","","0.06","0.0605","","","","","","1.027","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224832","10.958","0.0006","11.29","0.0006","12.42","0.0007","90","","94.073","0.005","90","","1532.67","0.15","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cl2 N2 O Rh2 -","- C32 H44 Cl2 N2 O Rh2 -","- C64 H88 Cl4 N4 O2 Rh4 -","2","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0317","0.0308","","","0.0728","0.075","","","","","","1.083","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224949","9.6372","0.0004","15.6851","0.0007","9.8491","0.0004","90","","100.796","0.0011","90","","1462.44","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl 3-(2-(4-chlorophenyl)-2-oxoethyl)-2-oxo-3-(10-oxo-9,10-dihydroanthr acen-9-yl)indoline-1-carboxylate","","- C35 H28 Cl N O5 -","- C35 H28 Cl N O5 -","- C70 H56 Cl2 N2 O10 -","2","1","","Zhao, Huaili; Xiao, Mingyan; Xu, Lubin; Wang, Liang; Xiao, Jian","Bifunctional thiourea catalyzed asymmetric Michael addition of anthrone to methyleneindolinones","RSC Adv.","2016","6","45","38558","","10.1039/C5RA21614A","","","0.71073","MoKα","","0.1017","0.0824","","","0.2112","0.2394","","","","","","1.052","","","","has coordinates","182203","2020-10-21","18:00:00",""
"7224976","11.7945","0.0002","20.7553","0.0002","12.0487","0.0002","90","","95.033","0.001","90","","2938.13","0.08","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Fe N6 O2 S2 -","- C27 H36 Fe N6 O2 S2 -","- C108 H144 Fe4 N24 O8 S8 -","4","2","","Seredyuk, Maksym; Znovjyak, Kateryna; Muñoz, M. Carmen; Galyametdinov, Yurii; Fritsky, Igor O.; Real, Jose A.","Imparting hysteretic behavior to spin transition in neutral mononuclear complexes","RSC Adv.","2016","6","46","39627","","10.1039/C6RA05342D","","","0.71069","MoKα","","0.0466","0.0396","","","0.091","0.0979","","","","","","0.982","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7224987","8.154","0.002","10.448","0.002","21.731","0.004","90","","93.37","0.02","90","","1848.1","0.7","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Fe -","- C26 H22 Fe -","- C104 H88 Fe4 -","4","2","","Majchrzak, M.; Kostera, S.; Grzelak, M.; Marciniec, B.; Kubicki, M.","An efficient catalytic synthesis and characterization of new styryl-ferrocenes and their trans-π-conjugated organosilicon materials","RSC Adv.","2016","6","46","39947","","10.1039/C6RA00859C","","","0.7107","MoKα","","0.0857","0.0599","","","0.0801","0.0883","","","","","","0.91","","","","has coordinates","182252","2020-10-21","18:00:00",""
"7225035","12.3508","0.0003","12.2285","0.0003","17.9527","0.0003","90","","94.4756","0.0018","90","","2703.16","0.1","102.5","","102.5","","","","","","","","Paraconiothyrium sporulosum YK-03","4","P 1 21 1","P 2yb","4","","Sporulosines A (1) and B (2)","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","4","","Zhang, Li-Hua; Feng, Bao-Min; Chen, Gang; Li, Sheng-Ge; Sun, Yi; Wu, Hong-Hua; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; Pei, Yue-Hu","Sporulaminals A and B: a pair of unusual epimeric spiroaminal derivatives from a marine-derived fungus Paraconiothyrium sporulosum YK-03","RSC Adv.","2016","6","48","42361","","10.1039/C6RA01401A","","","1.5418","CuKα","","0.0485","0.0444","","","0.1116","0.1153","","","","","","1.03","","","","has coordinates","182400","2020-10-21","18:00:00",""
"7225042","11.8549","0.0013","16.4789","0.0018","17.32","0.0019","90","","101.091","0.002","90","","3320.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-tyrosiniumpolyiodide hydrate","compound 1","","- C18 H25 I8 N2 O6.5 -","- C18 H25 I8 N2 O6.5 -","- C72 H100 I32 N8 O26 -","4","2","","Lamberts, Kevin; Handels, Philipp; Englert, Ulli; Aubert, Emmanuel; Espinosa, Enrique","Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory","CrystEngComm","2016","18","21","3832","","10.1039/C6CE00396F","","","0.71073","MoKα","","0.0555","0.0494","","","0.1241","0.1301","","","","","","1.051","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225074","10.7411","0.0002","9.053","0.0002","11.5845","0.0002","90","","93.443","0.001","90","","1124.43","0.04","293","2","293.15","","","","","","","","Daphniphyllum himalense","4","P 1 21 1","P 2yb","4","","21-deoxymacropodumine D","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C48 H70 N2 O10 -","2","1","","Zhang, Hua; Zhang, Dong-Dong; Li, Jing-Ya; Shyaula, Sajan L.; Li, J.; Yue, Jianmin","New alkaloids from Daphniphyllum himalense","RSC Adv.","2016","","","","","10.1039/C6RA06420E","","","1.54178","CuKα","","0.0511","0.0502","","","0.1568","0.1582","","","","","","1.074","","","","has coordinates","182446","2020-10-21","18:00:00",""
"7225085","9.9608","0.0003","9.4348","0.0003","10.0343","0.0003","90","","113.748","0.004","90","","863.16","0.05","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","","Bedekar, Ashutosh; Mothuku, Shyam Sundar","Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties","RSC Adv.","2016","","","","","10.1039/C6RA10496G","","","1.54184","","","0.0391","0.0366","","","","0.1175","","","","","","0.6369","","","","has coordinates","182479","2020-10-21","18:00:00",""
"7225109","11.2547","0.0005","17.5664","0.0008","16.8496","0.0009","90","","93.473","0.002","90","","3325.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H47 Eu4 N3 O29 S6 -","- C51 H47 Eu4 N3 O29 S6 -","- C102 H94 Eu8 N6 O58 S12 -","2","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0328","0.0311","","","0.071","0.0718","","","","","","1.131","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225166","7.2124","","29.0912","","11.686","","90","","106.181","","90","","2354.8","","119.8","0.3","119.8","","","","","","","","","5","P 1 21 1","P 2yb","4","Phase 1","Sitagliptin L-tartrate Phase 1","","- C40 H44 F12 N10 O15 -","- C40 H44 F12 N10 O15 -","- C80 H88 F24 N20 O30 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1042","0.1141","","","","1.22","1.22","1.22","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225172","7.0996","0.0002","17.4669","0.0006","11.5838","0.0004","90","","96.25","0.001","90","","1427.95","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H17 O6.5 -","- C16 H16 O6.5 -","- C64 H64 O26 -","4","2","","Luo, Qi; Di, Lei; Yang, Xiao-Hua; Cheng, Yong-Xian","Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum","RSC Adv.","2016","6","51","45963","","10.1039/C6RA05148K","","","1.54178","CuKα","","0.0539","0.053","","","0.1452","0.1466","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225193","9.422","0.0019","10.196","0.002","25.032","0.005","90","","96.37","0.03","90","","2389.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H36 N2 O17 Zn3 -","- C54 H36 N2 O17 Zn3 -","- C108 H72 N4 O34 Zn6 -","2","1","","Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong","A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure","CrystEngComm","2016","18","38","7221","","10.1039/C6CE00727A","","","0.71073","MoKα","","0.1401","0.0593","","","0.1062","0.166","","","","","","0.974","","","","has coordinates","187032","2020-10-21","18:00:00",""
"7225211","13.312","0.006","28.997","0.013","13.523","0.006","90","","94.059","0.009","90","","5207","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 F6 N2 O4 S2 -","- C18 H36 F6 N2 O4 S2 -","- C144 H288 F48 N16 O32 S16 -","8","4","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.1276","0.0947","","","0.1823","0.2122","","","","","","1.097","","","","has coordinates,has disorder","183793","2020-10-21","18:00:00",""
"7225367","6.9028","0.0013","15.231","0.003","8.4906","0.0016","90","","108.101","0.006","90","","848.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","3-ethyl-5-iodothiazole-2-thione","","- C5 H6 I N S2 -","- C5 H6 I N S2 -","- C20 H24 I4 N4 S8 -","4","2","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0715","0.072","","","","","","1.143","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225442","6.104","0.0005","8.9243","0.0008","12.0304","0.0014","90","","99.516","0.008","90","","646.33","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","","Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V.","Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide","CrystEngComm","2016","18","29","5423","","10.1039/C6CE00711B","","","0.81984","x-rays","","0.1033","0.0665","","","0.1878","0.2044","","","","","","1.178","","","","has coordinates","185259","2020-10-21","18:00:00",""
"7225494","8.7625","0.0006","5.8854","0.0004","11.0081","0.0012","90","","91.833","0.007","90","","567.41","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0618","0.052","","","0.1436","0.1587","","","","","","1.082","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225519","9.001","0.002","9.362","0.002","14.597","0.003","90","","104.81","0.008","90","","1189.2","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","3'-benzyl 1'-(tert-butyl) (R)-5-bromo-1-methyl-2-oxo-1,2,5'-trihydrospiro[indole-3,2'-pyrrole]-1',3'-dicarboxylate","","- C25 H25 Br N2 O5 -","- C25 H25 Br N2 O5 -","- C50 H50 Br2 N4 O10 -","2","1","","Sankar, Muthukumar G.; Garcia-Castro, Miguel; Golz, Christopher; Strohmann, Carsten; Kumar, Kamal","l-Isoleucine derived bifunctional phosphine catalyses asymmetric [3 + 2]-annulation of allenyl-esters and -ketones with ketimines","RSC Adv.","2016","6","61","56537","","10.1039/C6RA12387B","","x-ray","0.71073","MoKα","","0.0217","0.0207","","","0.0525","0.053","","","","","","1.072","","","","has coordinates","183454","2020-10-21","18:00:00",""
"7225548","7.962","0.0007","8.407","0.0006","18.899","0.0014","90","","94.566","0.002","90","","1261.02","0.17","173","2","173","2","","","101.3","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl Co N7 O5 -","- C23 H27 Cl Co N7 O5 -","- C46 H54 Cl2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1306","0.0639","","","0.1209","0.1644","","","","","","1.069","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225570","7.5857","0.001","12.7604","0.0017","11.2862","0.0016","90","","95.635","0.002","90","","1087.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 Cd2 O11 -","- C22 H10 Cd2 O11 -","- C44 H20 Cd4 O22 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0516","0.0422","","","0.1325","0.1824","","","","","","1.048","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225585","8.6095","0.0014","7.891","0.0008","21.093","0.003","90","","99.705","0.013","90","","1412.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H45 O10 -","- C29 H45 O10 -","- C58 H90 O20 -","2","1","","Lai, Changzhi; Liu, Haibin; Liu, Jianxin; Ouyang, Qin; Pang, Shuwen; Zhou, Hua; Tian, Hai-Yan; Liu, Liang; Yao, Xin-Sheng; Tang, Jinshan","Hirundigenin type C21 steroidal glycosides from Cynanchum stauntonii and their anti-inflammatory activity","RSC Adv.","2016","","","","","10.1039/C6RA11957C","","","1.54184","CuKα","","0.0674","0.0552","","","0.1432","0.1545","","","","","","1.061","","","","has coordinates","183705","2020-10-21","18:00:00",""
"7225639","12.0457","0.001","24.685","0.002","13.3843","0.0011","90","","99.531","0.001","90","","3924.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H60 Eu3 N5 O22 -","- C82 H60 Eu3 N5 O22 -","- C164 H120 Eu6 N10 O44 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0692","0.0538","","","0.1245","0.1325","","","","","","1.069","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225640","12.008","0.0003","24.6141","0.0006","13.3586","0.0003","90","","99.442","0.002","90","","3894.86","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Tb3 -","- C87 H70 N6 O23 Tb3 -","- C174 H140 N12 O46 Tb6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71073","MoKα","","0.0443","0.0406","","","0.0878","0.0908","","","","","","1.014","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225641","12.0744","0.0003","24.653","0.0007","13.3768","0.0003","90","","99.52","0.002","90","","3927.04","0.17","295.06","0.1","295.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Sm3 -","- C87 H70 N6 O23 Sm3 -","- C174 H140 N12 O46 Sm6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.0474","0.0408","","","0.083","0.0883","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225642","11.9691","0.0003","24.5557","0.0007","13.3369","0.0004","90","","99.538","0.003","90","","3865.66","0.19","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Dy3 N6 O23 -","- C87 H70 Dy3 N6 O23 -","- C174 H140 Dy6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.033","0.031","","","0.0664","0.0678","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225643","12.0505","0.0012","24.708","0.003","13.4026","0.0013","90","","99.519","0.002","90","","3935.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Gd3 N6 O23 -","- C87 H70 Gd3 N6 O23 -","- C174 H140 Gd6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0576","0.0429","","","0.069","0.0753","","","","","","0.967","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225701","6.4993","0.0006","8.663","0.0006","8.5034","0.0005","90","","104.738","0.007","90","","463.02","0.06","200","2","200.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C14 H26 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0396","0.0381","","","0.1086","0.1108","","","","","","1.108","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225708","6.6882","0.0003","8.6039","0.0004","8.0793","0.0004","90","","94.507","0.005","90","","463.48","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C6 H13 N O3 S2 -","- C6 H13 N O3 S2 -","- C12 H26 N2 O6 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0313","0.0303","","","0.0865","0.0888","","","","","","0.853","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225749","7.5121","0.0005","6.9024","0.0004","12.659","0.0008","90","","98.114","0.001","90","","649.82","0.07","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,6aS,6bR,9aR,10aR,10bS)-8,8-dimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo[4',5':4,5]furo[3,2-c]isochromen-5(6aH)-one","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.027","0.0264","","","0.0706","0.0712","","","","","","1.047","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225752","8.3984","0.0008","43.043","0.004","9.1804","0.0009","90","","104.838","0.002","90","","3208","0.5","293","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,3aS,6aR,8aR,8bR,11aR,12aR)-3,10,10-trimethyl-3a,4,5,6,8b,11a-hexahydro-3H indeno[4'',3a'':3',4']furo[2',3':4,5]furo[2,3-d][1,3]dioxol-7(8aH)-one","","- C17 H22 O5 -","- C17 H22 O5 -","- C136 H176 O40 -","8","4","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0845","0.0634","","","0.1185","0.1266","","","","","","1.113","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225753","3.7805","0.00015","10.5723","0.0003","15.0385","0.0005","90","","94.249","0.003","90","","599.42","0.04","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pyrazine-2-Amidoxime","","","- C5 H6 N4 O -","- C5 H6 N4 O -","- C20 H24 N16 O4 -","4","2","","Chylewska, Agnieszka; Ogryzek, Malgorzata; Głębocka, Angelika; Sikorski, Artur; Turecka, Katarzyna; Raczynska, Ewa; Makowski, Mariusz","Crystalline pyrazine-2-amidoxime isolated by diffusion method and its structural and behavioral analysis in the context of crystal engineering and microbiological activity","RSC Adv.","2016","","","","","10.1039/C6RA10537H","","","1.54184","CuKα","","0.0413","0.035","","","0.0842","0.0898","","","","","","1.094","","","","has coordinates","184049","2020-10-21","18:00:00",""
"7225811","15.8769","0.0005","23.5103","0.0008","23.1577","0.0008","90","","101.226","0.002","90","","8478.7","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C168 H241 Ho4 N27 O59 P6 -","- C86 H48 Ho4 N6 O39 P6 -","- C172 H96 Ho8 N12 O78 P12 -","2","1","","Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing","A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption","CrystEngComm","2016","18","33","6254","","10.1039/C6CE00497K","","","0.71073","MoKα","","0.0614","0.0561","","","0.1462","0.1525","","","","","","1.006","","","","has coordinates","186369","2020-10-21","18:00:00",""
"7225841","6.44","0.0004","16.3764","0.001","12.5711","0.001","90","","93.626","0.002","90","","1323.14","0.16","150","0.5","150","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 N2 O4 S -","- C31 H34 N2 O4 S -","- C62 H68 N4 O8 S2 -","2","1","","Lee, Kang-Hyun; Lee, Seung-Heon; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Multi-functional supramolecular building blocks with hydroxy piperidino groups: new opportunities for developing nonlinear optical ionic crystals","CrystEngComm","2016","18","31","5832","","10.1039/C6CE00401F","","","0.71073","MoKα","","0.129","0.0581","","","0.1253","0.16","","","","","","1.122","","","","has coordinates","185257","2020-10-21","18:00:00",""
"7225873","6.5434","0.0002","14.0286","0.0002","6.5314","0.0002","90","","89.921","0.001","90","","599.55","0.03","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","DimimFeCl4 (dimim=1,3-dimethylimidazolium)","","","- C5 H9 Cl4 Fe N2 -","- C5 H9 Cl4 Fe N2 -","- C10 H18 Cl8 Fe2 N4 -","2","1","","de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus","Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C6CP02433E","powder diffraction","","0.61969","Synchrotron","","","","","","","","","0.071","6.094","","","","","","","has coordinates","184344","2020-10-21","18:00:00",""
"7225888","7.2825","0.0002","8.8079","0.0003","8.0544","0.0002","90","","108.936","0.002","90","","488.68","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H9 Br N2 O4 -","- C7 H9 Br N2 O4 -","- C14 H18 Br2 N4 O8 -","2","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0187","0.0184","","","0.0473","0.0473","","","","","","1.079","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225897","5.184","0.001","27.263","0.003","7.405","0.001","90","","107.443","0.002","90","","998.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl2 Mg O10 -","- C16 H20 Cl2 Mg O10 -","- C32 H40 Cl4 Mg2 O20 -","2","1","","Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi","Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding","RSC Adv.","2016","","","","","10.1039/C6RA09589E","","","0.71073","MoKα","","0.0359","0.0347","","","0.097","0.0981","","","","","","1.02","","","","has coordinates","184386","2020-10-21","18:00:00",""
"7225941","14.7409","0.0005","15.3429","0.0006","22.1924","0.0008","90","","103.716","0.002","90","","4876.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H78 N16 O26 Zn6 -","- C72 H42 N12 O22 Zn6 -","- C144 H84 N24 O44 Zn12 -","2","1","","Meng, Pan Pan; Dang, Li Long; Zhang, Xiao Jing; Ma, Lu Fang; Li, Jian Qiang; Gong, Le Le; Zhang, Le; Meng, Li Na; Luo, Feng","A novel MOF showing a ring-like planar Zn6cluster and the coexistence of a single, double, and triple wall","CrystEngComm","2016","18","34","6336","","10.1039/C6CE01007E","","","0.71073","MoKα","","0.0803","0.0641","","","0.176","0.1827","","","","","","1.026","","","","has coordinates","186357","2020-10-21","18:00:00",""
"7225962","12.6935","0.0015","16.0668","0.0019","19.437","0.002","90","","102.198","0.001","90","","3874.6","0.8","125","2","125","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H91 Al F12 N6 O14 S4 -","- C66 H91 Al F12 N6 O14 S4 -","- C132 H182 Al2 F24 N12 O28 S8 -","2","1","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.058","0.0457","","","0.1063","0.1136","","","","","","1.023","","","","has coordinates,has disorder","184513","2020-10-21","18:00:00",""
"7225997","6.5925","0.0001","22.2328","0.0006","10.2751","0.0002","90","","100.232","0.001","90","","1482.07","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Br O3 -","- C34 H36 Br O3 -","- C68 H72 Br2 O6 -","2","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0845","0.0924","","","","","","1.049","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7226041","7.436","0.004","9.474","0.006","14.125","0.009","90","","104.082","0.009","90","","965.2","1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-(1-(methylsulfonyl)pyrrolidin-2-yl)(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone","","- C12 H26 N2 O4 S Si2 -","- C12 H26 N2 O4 S Si2 -","- C24 H52 N4 O8 S2 Si4 -","2","1","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.1105","0.0714","","","0.1441","0.1534","","","","","","1.004","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226114","9.4797","0.0008","28.175","0.002","10.1153","0.0009","90","","104.963","0.0015","90","","2610.1","0.4","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H42 Cl8 N2 O2 P2 Pd2 S2 -","- C49 H42 Cl8 N2 O2 P2 Pd2 S2 -","- C98 H84 Cl16 N4 O4 P4 Pd4 S4 -","2","1","","Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient and Stereo-selective Synthesis of Monomeric and Bi-metallic Pincer Complexes Containing Pd-bonded Stereogenic Carbons","RSC Adv.","2016","","","","","10.1039/C6RA16721G","","","0.71073","MoKα","","0.0386","0.0359","","","0.0766","0.078","","","","","","1.043","","","","has coordinates","184816","2020-10-21","18:00:00",""
"7226115","9.7127","0.0005","11.5076","0.0006","12.7323","0.0006","90","","105.963","0.004","90","","1368.21","0.12","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl3 N O P Pd S -","- C27 H23 Cl3 N O P Pd S -","- C54 H46 Cl6 N2 O2 P2 Pd2 S2 -","2","1","","Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient and Stereo-selective Synthesis of Monomeric and Bi-metallic Pincer Complexes Containing Pd-bonded Stereogenic Carbons","RSC Adv.","2016","","","","","10.1039/C6RA16721G","","","0.71073","MoKα","","0.084","0.0543","","","0.0968","0.1103","","","","","","0.988","","","","has coordinates","184816","2020-10-21","18:00:00",""
"7226124","4.6211","0.0007","5.2775","0.0008","16.932","0.003","90","","96.344","0.002","90","","410.41","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C14 H14 I2 N4 O2 -","2","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.015","0.0148","","","0.0358","0.0359","","","","","","1.103","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226178","7.7305","0.0008","7.8246","0.0008","12.9282","0.0012","90","","102.678","0.001","90","","762.94","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C40 H26 N2 O4 -","2","1","","Jiang, Bo; Fu, Rong; Qiu, Jiang-Kai; Yu, Yan; Wang, Shu-Liang; Tu, Shu-Jiang","A new [4 + 1]/[4 + 2]bicycliaztion strategy for accessing functionalized indeno[1,2-b]pyran-2-ones","RSC Adv.","2016","6","78","74372","","10.1039/C6RA16462E","","","0.71073","MoKα","","0.0821","0.0416","","","0.066","0.0765","","","","","","1.039","","","","has coordinates","185052","2020-10-21","18:00:00",""
"7226211","5.7469","0.0001","20.6365","0.0002","9.2801","0.0001","90","","98.204","0.001","90","","1089.32","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cu N4 O7 -","- C21 H22 Cu N4 O7 -","- C42 H44 Cu2 N8 O14 -","2","1","","Sharma, Surbhi; Toupet, Loïc; Ahmad, Musheer; Arjmand, Farukh","Synthesis, characterization, crystal structure of RNA targeted L- and D-phenylalanine-(1, 10-phen)-copper(II) conjugate complexes; Comparative in vitro RNA binding profile of enantiomers and their biological evaluation by morphological studies and antibacterial activity","RSC Adv.","2016","","","","","10.1039/C6RA14503E","","","1.54184","CuKα","","0.0264","0.0253","","","0.0691","0.0775","","","","","","1.08","","","","has coordinates","185747","2020-10-21","18:00:00",""
"7226212","5.728","0.005","20.587","0.005","9.252","0.005","90","","98.308","0.005","90","","1079.6","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","SS12B","","- C21 H22 Cu N4 O7 -","- C21 H22 Cu N4 O7 -","- C42 H44 Cu2 N8 O14 -","2","1","","Sharma, Surbhi; Toupet, Loïc; Ahmad, Musheer; Arjmand, Farukh","Synthesis, characterization, crystal structure of RNA targeted L- and D-phenylalanine-(1, 10-phen)-copper(II) conjugate complexes; Comparative in vitro RNA binding profile of enantiomers and their biological evaluation by morphological studies and antibacterial activity","RSC Adv.","2016","","","","","10.1039/C6RA14503E","","","0.71073","MoKα","","0.034","0.0301","","","0.0669","0.0684","","","","","","1.056","","","","has coordinates","185747","2020-10-21","18:00:00",""
"7226225","11.1182","0.001","12.8745","0.0011","11.7116","0.0008","90","","90.398","0.001","90","","1676.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","asperether C","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.1054","0.063","","","0.1096","0.1375","","","","","","1.003","","","","has coordinates,has disorder","185750","2020-10-21","18:00:00",""
"7226226","12.0282","0.0019","9.0364","0.0015","8.1578","0.0011","90","","90.601","0.009","90","","886.6","0.2","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","anhydrous sibutramine hydrochloride enantiomer","","- C17 H27 Cl2 N -","- C17 H27 Cl2 N -","- C34 H54 Cl4 N2 -","2","1","","Rosa, F.; Négrier, P.; Espeau, P.","Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability","CrystEngComm","2016","18","36","6903","","10.1039/C6CE01123C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","187043","2020-10-21","18:00:00",""
"7226227","6.7105","0.0003","7.803","0.0004","15.2397","0.0009","90","","102.694","0.002","90","","778.48","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O8 -","- C17 H16 O8 -","- C34 H32 O16 -","2","1","","Ding, Wei-yi; Ai, Jun; Wang, Xinlong; Qiu, Fayang; Lu, Qing; Fang, Ping; Hou, Fan-Fan; yan, yong ming; Cheng, Yongxian","Isolation of lingzhifuran A and lingzhilactones D-F from Ganoderma lucidum as specific Smad3 phosphorylation inhibitors and total synthesis of lingzhifuran A","RSC Adv.","2016","","","","","10.1039/C6RA17900B","","","1.54178","CuKα","","0.108","0.1075","","","0.289","0.2892","","","","","","1.212","","","","has coordinates","185768","2020-10-21","18:00:00",""
"7226270","9.8002","0.0014","11.9983","0.0017","10.126","0.0011","90","","102.646","0.019","90","","1161.8","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 Cr N10 Ni -","- C16 Cr N10 Ni -","- C32 Cr2 N20 Ni2 -","2","1","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","powder diffraction","x-ray","1.5418","CuKaradiation","","0.2233","0.1852","","0.1895","0.1839","","","","3.37","","","","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226353","12.0422","0.0002","6.75793","0.00012","15.1547","0.0003","90","","103.445","0.0019","90","","1199.49","0.04","99.5","","99.5","","","","","","","","Lecanicillium sp.","3","P 1 21 1","P 2yb","4","","Lecanicillone A","","- C28 H32 O6 -","- C28 H32 O6 -","- C56 H64 O12 -","2","1","","Wang, Zai-ying; Sang, Xia-Nan; Sun, Ke; Huang, Sheng-dong; Chen, Sheng-shuang; Xue, Chunmei; Ban, Lanfeng; Li, Zhanlin; Hua, Huiming; Pei, Yuehu; Bai, Jiao","Lecanicillones A‒C, Three Dimeric Isomers of Spiciferone A with Cyclobutane Ring from an Entomopathogenic Fungus Lecanicillium sp. PR-M-3","RSC Adv.","2016","","","","","10.1039/C6RA11422A","","","1.5418","CuKα","","0.0345","0.0339","","","0.0889","0.0896","","","","","","1.034","","","","has coordinates","185993","2020-10-21","18:00:00",""
"7226354","5.6204","0.0005","25.209","0.003","6.9669","0.0006","90","","93.885","0.008","90","","984.83","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethyl-3-(4-methylpent-3-en-1-yl)pyrano[3,2-a] carbazole-11(3H)-carbaldehyde","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C48 H50 N2 O4 -","2","1","","yedukondalu, nalli; Gupta, Gaurav; Nadkarni, Janhavi R.; Gupta, Vivek; Syed, Sajad Hussain; Ali, Asif","Divergent Synthesis of prenylated carbazole alkaloids (+)-S-Mahanimbine led to the discovery of Notch activator","RSC Adv.","2016","","","","","10.1039/C6RA16531A","","","0.71073","MoKα","","0.1042","0.0531","","","0.0891","0.1069","","","","","","0.934","","","","has coordinates","185994","2020-10-21","18:00:00",""
"7226367","9.485","0.006","11.002","0.007","12.115","0.008","90","","101.517","0.008","90","","1238.8","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 F6 O5 P -","- C23 H23 F6 O5 P -","- C46 H46 F12 O10 P2 -","2","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.11","0.0667","","","0.1629","0.2021","","","","","","1","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226395","7.6281","0.0008","12.8621","0.0013","8.8824","0.0011","90","","101.279","0.008","90","","854.65","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 Ce2 O17 -","- C9 H6 Ce2 O17 -","- C18 H12 Ce4 O34 -","2","1","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0337","0.0297","","","0.0653","0.0667","","","","","","1.078","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226412","8.335","0.0016","7.321","0.0018","14.859","0.003","90","","91.577","0.013","90","","906.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl N3 O6 S -","- C15 H16 Cl N3 O6 S -","- C30 H32 Cl2 N6 O12 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.096","0.0626","","","0.1456","0.1797","","","","","","1.057","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226442","8.9423","0.0008","10.7137","0.001","10.449","0.0009","90","","94.596","0.003","90","","997.85","0.16","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","7-Br","tert-butyl (7-bromo-3-(2,4-dioxopentan-3-yl)-1-methyl-2-oxoindolin-3-yl)carbamate","","- C19 H23 Br N2 O5 -","- C19 H23 Br N2 O5 -","- C38 H46 Br2 N4 O10 -","2","1","","Trivedi, Rajiv; Kadiyala, Srinivasa Rao; Pambala, Ramesh; Chowhan, Raju","Asymmetric Mannich Reaction: Highly Enantioselective Synthesis of 3-Amino-oxindoles via Chiral Squaramide Based H-bond Donor Catalysis","RSC Adv.","2016","","","","","10.1039/C6RA16877A","","","0.71075","MoKα","","","0.0559","","","","0.1614","","","","","","0.952","","","","has coordinates","186122","2020-10-21","18:00:00",""
"7226498","10.249","0.0006","7.6979","0.0004","19.7126","0.0011","90","","95.778","0.006","90","","1547.34","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H48 Cl2 O2 -","- C29 H48 Cl2 O2 -","- C58 H96 Cl4 O4 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","1.54184","CuKα","","0.0654","0.0587","","","0.1551","0.1649","","","","","","1.046","","","","has coordinates","186280","2020-10-21","18:00:00",""
"7226508","5.8459","0.0013","6.9731","0.0015","6.1725","0.0013","90","","94.27","0.002","90","","250.92","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C2 H4 Cl2 Hg2 N10 -","2","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0604","0.054","","","0.1323","0.1405","","","","","","1.131","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226525","8.7403","0.0003","10.9631","0.0004","13.0161","0.0005","90","","106.319","0.004","90","","1196.97","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[BCP][CuI2CuIII5]?2H2O","compound 2","","- C13 H15 Cu3 I5 N2 O2 -","- C13 H11 Cu3 I5 N2 O2 -","- C26 H22 Cu6 I10 N4 O4 -","2","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","0.71073","MoKα","","0.038","0.0319","","","0.0622","0.0651","","","","","","1.012","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226593","8.6645","0.0004","22.3952","0.001","12.1729","0.0005","90","","103.179","0.003","90","","2299.86","0.18","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl4 I10 N4 Pb3 -","- C20 H20 Cl4 I10 N4 Pb3 -","- C40 H40 Cl8 I20 N8 Pb6 -","2","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0953","0.0872","","","0.215","0.2238","","","","","","1.048","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226605","5.6823","0.0004","7.0109","0.0005","21.9839","0.0017","90","","93.665","0.007","90","","874","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Huang, Sheng-Han; Shih, Yu-Wei; Huang, Wen-Tse; Li, Deng-Hong; Yang, Te-Fang","Tandem additions of 3,4-dihydroisoquinolines to γ-hydroxy -α,β-unsaturated ketones: a green and new access to oxazolo[2,3-a]tetrahydroisoquinolines","RSC Adv.","2016","","","","","10.1039/C6RA20708A","","x-ray","0.71073","MoKα","","0.2153","0.2032","","","0.5003","0.5222","","","","","","1.818","","","","has coordinates","186710","2020-10-21","18:00:00",""
"7226662","10.3584","0.001","10.854","0.001","10.4469","0.001","90","","108.403","0.002","90","","1114.48","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 1)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C40 H52 F4 N8 O20 -","4","2","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0433","0.0418","","","0.1038","0.1049","","","","","","1.041","","","","has coordinates,has disorder","188106","2020-10-21","18:00:00",""
"7226663","8.9716","0.0009","5.3099","0.0005","11.8624","0.0011","90","","105.98","0.002","90","","543.27","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 2)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C20 H26 F2 N4 O10 -","2","1","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0295","0.0293","","","0.0767","0.0769","","","","","","1.053","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226664","10.4391","0.0013","16.017","0.002","13.8687","0.0018","90","","101.604","0.002","90","","2271.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 3)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","4","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0419","0.0355","","","0.0831","0.0862","","","","","","1.031","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226727","5.719","0.0003","17.9432","0.001","9.0209","0.0005","90","","99.0333","0.0015","90","","914.22","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-[(4-Isopropylcyclohex-1-en-1-yl)methyl]diphenylphosphine oxide","","- C22 H27 O P -","- C22 H27 O P -","- C44 H54 O2 P2 -","2","1","","Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco","Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes","Green Chem.","2016","18","18","4896","","10.1039/C6GC00903D","","","1.54178","CuKα","","0.0308","0.0305","","","0.0741","0.0744","","","","","","1.123","","","","has coordinates","186981","2020-10-21","18:00:00",""
"7226753","8.69","0.005","9.93","0.005","13.591","0.005","90","0.005","90.853","0.005","90","0.005","1172.7","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H22 N O4 -","- C29 H22 N O4 -","- C58 H44 N2 O8 -","2","1","","Mahapatra, Ajit Kumar; Ali, Syed Samim; Maiti, Kalipada; Mondal, Sanchita; Maji, Rajkishor; Manna, Srimanta; Manna, Saikat Kumar; Uddin, Md. Raihan; Mandal, Sukhendu","Highly Sensitive Ratiometric Fluorescence Probes for Nitric Oxide Based on Dihydropyridine and Potentially Useful in Bioimaging","RSC Adv.","2016","","","","","10.1039/C6RA23139J","","","0.71073","MoKα","","0.1038","0.0867","","","0.2181","0.2417","","","","","","1.047","","","","has coordinates","187224","2020-10-21","18:00:00",""
"7226758","8.2473","0.0002","18.8543","0.0007","10.5818","0.0003","90","","111.131","0.0017","90","","1534.8","0.08","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H38 Cl N2 Rh -","- C37 H38 Cl N2 Rh -","- C74 H76 Cl2 N4 Rh2 -","2","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0497","0.0392","","","0.0962","0.102","","","","","","1.042","","","","has coordinates,has disorder","187226","2020-10-21","18:00:00",""
"7226789","7.3761","0.0005","17.7987","0.0015","9.5359","0.0009","90","","98.633","0.006","90","","1237.74","0.18","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 S -","- C25 H37 N3 O5 S -","- C50 H74 N6 O10 S2 -","2","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0644","0.0462","","","0.114","0.1345","","","","","","0.825","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226818","7.2507","0.0016","16.263","0.004","7.3756","0.0016","90","","93.652","0.004","90","","868","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cu N2 O7 -","- C13 H24 Cu N2 O7 -","- C26 H48 Cu2 N4 O14 -","2","1","","Zhang, Zhi-Hui; Yang, Xu-Sheng; Zhang, Qing-Qing; Wang, Liang; He, Ming-Yang; Chen, Qun; huang, Xian-Feng","Structure-Induced Catalysis Enhancement of Cu-Amino Catalysts for Rapidly Selective Oxidation of Sulfides in the Presence of H2O2","RSC Adv.","2016","","","","","10.1039/C6RA22393A","","","0.71073","MoKα","","0.0224","0.021","","","0.0616","0.0762","","","","","","0.844","","","","has coordinates","187390","2020-10-21","18:00:00",""
"7226824","6.8339","0.0014","7.4174","0.0015","14.147","0.003","90","","92.38","0.03","90","","716.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H6 Cd2 Cl3 N7 -","- C9 H6 Cd2 Cl3 N7 -","- C18 H12 Cd4 Cl6 N14 -","2","1","","Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun","Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives","RSC Adv.","2016","","","","","10.1039/C6RA22875E","","","0.71073","MoKα","","0.0132","0.0131","","","0.0307","0.0307","","","","","","1.093","","","","has coordinates","187421","2020-10-21","18:00:00",""
"7226833","6.306","0.013","8.0599","0.0014","7.25","0.013","90","","115.6","0.2","90","","332.3","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.41168","synchrotron","","0.1801","0.1111","","","0.1271","0.1417","","","","2.97","2.97","2.19","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226836","6.668","0.006","8.298","0.004","7.393","0.006","90","","116.64","0.11","90","","365.6","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium iron formate","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.2903","synchrotron","","0.1914","0.1431","","","0.1562","0.1657","","","","3.31","3.31","2.44","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226888","4.958","0.002","21.437","0.01","12.165","0.006","90","","98.132","0.007","90","","1280","1","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C64 H44 N12 O4 -","4","2","","Xie, Yu-Yang; Wang, Ying-Chun; He, Yan; Hu, Da-Chao; Wang, Heng-Shan; Pan, Ying-Ming","Catalyst-free synthesis of fused 1,2,3-triazole and isoindoline derivatives via an intramolecular azide‒alkene cascade reaction","Green Chem.","2017","19","3","656","","10.1039/C6GC01553K","","","0.71073","MoKα","","0.0494","0.0354","","","0.1048","0.1182","","","","","","0.834","","","","has coordinates","193863","2020-10-21","18:00:00",""
"7226932","8.1237","0.0017","7.1542","0.0015","12.318","0.003","90","","92.502","0.007","90","","715.2","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Mp-p1b-H28 [1,2,3]triazolo[1,5-a]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C24 H10 F8 I4 N6 -","2","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0187","0.018","","","0.0499","0.0502","","","","","","1.113","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226980","11.477","0.005","19.264","0.008","21.97","0.009","90","","90.732","0.005","90","","4857","4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","4","","Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing","Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones","RSC Adv.","2016","","","","","10.1039/C6RA19916J","","","0.71073","MoKα","","0.0839","0.0512","","","0.1162","0.1253","","","","","","0.873","","","","has coordinates","187720","2020-10-21","18:00:00",""
"7226997","16.0248","0.0004","5.61472","0.00012","25.7171","0.0006","90","","106.106","0.003","90","","2223.07","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C96 H112 N8 O8 S8 -","4","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.04","0.0362","","","0.0953","0.0982","","","","","","1.049","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7227086","11.9333","0.0003","6.7797","0.0002","12.1298","0.0003","90","","116.667","0.001","90","","876.97","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-1-phenyl-3-(phenylamino)-4-(4-methylphenyl)but-2-en-1-one","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0332","0.0299","","","0.0722","0.0745","","","","","","1.066","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227091","9.374","0.007","35.9","0.03","12.405","0.009","90","","93.387","0.006","90","","4167","6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-ABPX103","","- C47.5 H37.5 Cl4.5 N2 O6 -","- C47.5 H37.5 Cl4.5 N2 O6 -","- C190 H150 Cl18 N8 O24 -","4","2","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Shirasaki, Yoshinao; Ooyama, Yousuke; Ueda, Masashi; Uchiyama, Masanobu; Enomoto, Shuichi; Sawada, Daisuke","Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran.","Physical chemistry chemical physics : PCCP","2017","19","2","1209","1216","10.1039/c6cp06808a","","","0.71075","MoKα","","0.0988","0.0761","","","0.1214","0.1363","","","","","","1.09","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227111","16.137","0.005","7.605","0.003","16.14","0.005","90","","119.984","0.003","90","","1715.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H32 Mn4 N8 O24 -","- C12 H31.9995 Mn4 N7.9998 O24 -","- C24 H63.999 Mn8 N15.9996 O48 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0336","0.0294","","","0.0565","0.058","","","","","","1.043","","","","has coordinates,has disorder","190280","2020-10-21","18:00:00",""
"7227117","6.874","0.0005","20.814","0.0014","12.75","0.0008","90","","93.7","0.001","90","","1820.4","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H29 Cr Cu Mo6 N4 O30 -","- C14 H23 Cr Cu Mo6 N4 O30 -","- C28 H46 Cr2 Cu2 Mo12 N8 O60 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","pH-tuned diverse structures and properties: Two Anderson-type polyoxometalate-based metal-organic complexes for selective photocatalysis and adsorption of organic dyes","RSC Adv.","2016","","","","","10.1039/C6RA22836D","","","0.71069","MoKα","","0.0514","0.0402","","","0.0958","0.1017","","","","","","1.001","","","","has coordinates","188512","2020-10-21","18:00:00",""
"7227151","8.3771","0.0009","6.2358","0.0008","14.5374","0.0013","90","","99.659","0.009","90","","748.64","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C34 H24 N8 S2 -","2","1","","Singh, Rupinder; Gogoi, Abhijit; Das, Gopal","Benzothiazole based multi-analyte sensor for selective sensing of Zn2+ and Cd2+ and subsequent sensing of inorganic phosphates (Pi) in mixed aqueous medium","RSC Adv.","2016","","","","","10.1039/C6RA22840B","","","0.71073","MoKα","","0.1047","0.0604","","","0.1258","0.1546","","","","","","1.022","","","","has coordinates","188625","2020-10-21","18:00:00",""
"7227260","6.0614","0.0005","4.9572","0.0004","12.1601","0.001","90","","102.523","0.008","90","","356.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O -","- C7 H7 Br O -","- C14 H14 Br2 O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0623","0.048","","","0.1061","0.1165","","","","","","1.005","","","","has coordinates","191558","2020-10-21","18:00:00",""
"7227261","6.044","0.002","4.9739","0.0012","12.231","0.005","90","","103.69","0.04","90","","357.2","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7.5 H8.5 Br0.5 O -","- C7.5 H8.5 Br0.5 O -","- C15 H17 Br O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.1333","0.0943","","","0.2196","0.2507","","","","","","1.141","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227262","5.9892","0.0006","4.9395","0.0005","12.0858","0.0012","90","","102.59","0.01","90","","348.94","0.06","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 Br0.5 Cl0.5 O -","- C7 H7 Br0.5 Cl0.5 O -","- C14 H14 Br Cl O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0698","0.0512","","","0.1062","0.1232","","","","","","1","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227273","8.955","0.0014","10.0767","0.0016","15.856","0.002","90","","98.022","0.002","90","","1416.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N3 Si2 Y -","- C25 H44 N3 Si2 Y -","- C50 H88 N6 Si4 Y2 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.062","0.0406","","","0.0861","0.0945","","","","","","0.978","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227274","8.9674","0.0007","10.0942","0.0008","16.0127","0.0012","90","","98.006","0.001","90","","1435.32","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N3 Si2 Sm -","- C25 H44 N3 Si2 Sm -","- C50 H88 N6 Si4 Sm2 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.0204","0.0187","","","0.0443","0.0451","","","","","","1","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227275","8.9592","0.0012","10.1194","0.0013","15.698","0.002","90","","98.047","0.001","90","","1409.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 Lu N3 Si2 -","- C25 H44 Lu N3 Si2 -","- C50 H88 Lu2 N6 Si4 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.0225","0.0204","","","0.0467","0.0477","","","","","","1.021","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227276","8.9897","0.0009","10.1575","0.001","15.3828","0.0015","90","","97.86","0.001","90","","1391.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N3 Sc Si2 -","- C25 H44 N3 Sc Si2 -","- C50 H88 N6 Sc2 Si4 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.0522","0.0383","","","0.089","0.0957","","","","","","0.974","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227313","12.3182","0.0017","22.004","0.002","13.2118","0.0017","90","","109.093","0.014","90","","3384.1","0.8","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H45 Cr N16 O8 Ru2 S -","- C54 H45 Cr N16 O8 Ru2 S -","- C108 H90 Cr2 N32 O16 Ru4 S2 -","2","1","","Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.","Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.","Physical chemistry chemical physics : PCCP","2017","19","4","2882","2893","10.1039/c6cp06562g","","","0.71069","MoKα","","0.1142","0.0874","","","0.2135","0.2582","","","","","","1.059","","","","has coordinates,has disorder","191762","2020-10-21","18:00:00",""
"7227340","11.2125","0.0019","6.7337","0.0011","15.886","0.003","90","","104.314","0.004","90","","1162.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 F3 O3 S -","- C24 H33 F3 O3 S -","- C48 H66 F6 O6 S2 -","2","1","","He, Bin; Xiao, Zhiwei; Wu, Hao; Guo, Yong; Chen, Qing-Yun; Liu, Chao","Oxidative decarboxylative radical trifluoromethylthiolation of alkyl carboxylic acids with silver(i) trifluoromethanethiolate and selectfluor","RSC Adv.","2017","7","2","880","","10.1039/C6RA26133G","","","0.71073","MoKα","","0.0946","0.0744","","","0.1911","0.2107","","","","","","1.042","","","","has coordinates,has disorder","189818","2020-10-21","18:00:00",""
"7227373","10.9425","0.001","10.1583","0.0007","11.5023","0.0011","90","","91.164","0.009","90","","1278.3","0.19","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C46 H54 Cl2 N6 Na2 O10 S2 -","2","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0867","0.0617","","","0.1366","0.1569","","","","","","1.069","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227432","8.6745","0.0002","8.9262","0.0002","17.2543","0.0004","90","","103.42","0.002","90","","1299.53","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 N4 O4 S -","- C29 H30 N4 O4 S -","- C58 H60 N8 O8 S2 -","2","1","","Sadu, Venkata S.; Sadu, Sirisha; Kim, Seji; Hwang, In-Taek; Kong, Ki-Jeong; Lee, Kee-In","Influence of steric demand on ruthenium-catalyzed cycloaddition of sterically hindered azides","RSC Adv.","2017","7","6","3229","","10.1039/C6RA25403A","","","0.71073","MoKα","","0.0574","0.0437","","","0.0932","0.0985","","","","","","1.025","","","","has coordinates","190510","2020-10-21","18:00:00",""
"7227456","10.175","0.004","21.481","0.01","10.493","0.005","90","","93.144","0.009","90","","2290","1.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N28 O7 Zn4 -","- C24 H46 N28 O7 Zn4 -","- C48 H92 N56 O14 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.126","0.0685","","","0.125","0.159","","","","","","1.046","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227457","10.11","0.005","21.362","0.01","10.475","0.005","90","","93.97","0.006","90","","2256.9","1.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 N28 O8 Zn4 -","- C24 H44 N28 O8 Zn4 -","- C48 H88 N56 O16 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.1488","0.0733","","","0.1399","0.181","","","","","","1.019","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227458","10.185","0.004","21.488","0.009","10.501","0.005","90","","93.174","0.008","90","","2294.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N28 O7 Zn4 -","- C24 H46 N28 O7 Zn4 -","- C48 H92 N56 O14 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.1504","0.0643","","","0.113","0.1538","","","","","","0.965","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227459","10.2303","0.0003","21.4402","0.0006","11.1573","0.0004","90","","91.259","0.003","90","","2446.65","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H52 N28 O6 Zn4 -","- C28 H52 N28 O6 Zn4 -","- C56 H104 N56 O12 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","1.54178","CuKα","","0.0593","0.0446","","","0.1167","0.1304","","","","","","1.017","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227504","11.405","0.0001","11.119","0.0001","23.0313","0.0003","90","","97.927","0.001","90","","2892.74","0.05","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25.5 H22 Ag Br2 N3 O6.5 -","- C25.5 H22 Ag Br2 N3 O6.5 -","- C102 H88 Ag4 Br8 N12 O26 -","4","2","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0619","0.0592","","","0.1482","0.1495","","","","","","1.163","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227545","4.672","0.0009","22.405","0.005","8.21","0.0016","90","","106.02","0.03","90","","826","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C50 H32 O2 -","2","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1169","0.0569","","","0.1087","0.1284","","","","","","1.002","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227641","10.045","0.002","6.9628","0.0017","16.994","0.004","90","","106.428","0.003","90","","1140.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H16 Cl11 N Nb2 O2 -","- C7 H16 Cl11 N Nb2 O2 -","- C14 H32 Cl22 N2 Nb4 O4 -","2","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0239","0.0217","","","0.042","0.0428","","","","","","1.023","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227706","8.5895","0.001","12.3063","0.001","9.7721","0.0009","90","","111.94","0.013","90","","958.15","0.18","295.05","0.1","295.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","YG-98","","- C21 H17 Br N2 O3 -","- C21 H17 Br N2 O3 -","- C42 H34 Br2 N4 O6 -","2","1","","Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing","Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds","RSC Adv.","2017","7","19","11796","","10.1039/C6RA28064A","","x-ray","0.71073","MoKα","","0.1506","0.0688","","","0.1383","0.1798","","","","","","1.01","","","","has coordinates","192224","2020-10-21","18:00:00",""
"7227707","7.9128","0.0005","13.2459","0.0009","8.7406","0.0006","90","","99.323","0.007","90","","904.02","0.11","289.97","0.1","289.97","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","YG-90","","- C21 H16 F2 N2 O3 -","- C21 H16 F2 N2 O3 -","- C42 H32 F4 N4 O6 -","2","1","","Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing","Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds","RSC Adv.","2017","7","19","11796","","10.1039/C6RA28064A","","x-ray","0.71073","MoKα","","0.086","0.0548","","","0.1443","0.1765","","","","","","0.959","","","","has coordinates","192224","2020-10-21","18:00:00",""
"7227713","13.168","0.003","4.839","0.001","17.4","0.004","90","","111.41","0.03","90","","1032.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O4 -","- C24 H20 Cl N O4 -","- C48 H40 Cl2 N2 O8 -","2","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1171","0.0665","","","0.1645","0.1977","","","","","","1.016","","","","has coordinates","195037","2020-10-21","18:00:00",""
"7227842","8.4983","0.0005","8.3756","0.0005","10.7054","0.0007","90","","106.311","0.006","90","","731.32","0.08","295.35","0.1","295.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl N2 O -","- C16 H24 Cl N2 O -","- C32 H48 Cl2 N4 O2 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.0617","0.0492","","","0.1163","0.1326","","","","","","1.033","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227843","8.8606","0.0007","9.866","0.0006","12.1556","0.0016","90","","108.727","0.011","90","","1006.37","0.18","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O4 -","- C22 H27 N3 O4 -","- C44 H54 N6 O8 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.1178","0.0596","","","0.0975","0.1256","","","","","","1.077","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227844","10.5122","0.0005","9.5461","0.0004","13.519","0.0006","90","","99.723","0.004","90","","1337.15","0.1","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O3 -","- C30 H38 N2 O3 -","- C60 H76 N4 O6 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.0911","0.0608","","","0.1236","0.1447","","","","","","1.041","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227908","13.3102","0.0019","17.025","0.002","14.896","0.002","90","","108.86","0.004","90","","3194.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","{D-Gln@TMeQ[6]}.Cl.11H2O","complex1","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1773","0.0989","","","0.2487","0.3059","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227909","13.4651","0.0009","16.34","0.0011","29.934","0.002","90","","100.665","0.002","90","","6472.3","0.8","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{TMeQ[6]?Cd(H2O)3D-Val?TMeQ[6]}.(NO3)2.21H2O","complex7","","- C85 H139 Cd N51 O53 -","- C85 H97 Cd N49 O45 -","- C170 H194 Cd2 N98 O90 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0523","0.0438","","","0.1082","0.1132","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227910","13.277","0.002","17.119","0.003","15.609","0.003","90","","112.981","0.002","90","","3266.2","1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Ser?TMeQ[6].Cl.10H2O","complex6","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O25 -","- C86 H104 N50 O50 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1404","0.0667","","","0.1728","0.1873","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227911","13.219","0.003","17.089","0.004","15.467","0.003","90","","112.608","0.007","90","","3225.5","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ser?TMeQ[6].Cl.10H2O","complex5","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O24.5 -","- C86 H104 N50 O49 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0901","0.0776","","","0.2151","0.2288","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227913","13.2985","0.0015","17.0458","0.0019","14.9506","0.0017","90","","108.985","0.003","90","","3204.7","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{L-Gln@TMeQ[6]}.Cl.11H2O","complex2","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1557","0.0963","","","0.2409","0.2852","","","","","","1.006","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227943","5.7071","0.0011","7.8905","0.0016","15.868","0.003","90","","97.78","0.03","90","","708","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 Zn -","- C16 H14 O6 Zn -","- C32 H28 O12 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0419","0.0354","","","0.0915","0.1064","","","","","","1.107","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227944","5.6961","0.0011","7.8959","0.0016","15.87","0.003","90","","97.98","0.03","90","","706.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 Zn -","- C16 H14 O6 Zn -","- C32 H28 O12 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0302","0.0274","","","0.0609","0.0627","","","","","","1.076","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227945","6.0565","0.0012","7.3687","0.0015","15.825","0.003","90","","96.6","0.03","90","","701.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 O7 Zn -","- C14 H14 O7 Zn -","- C28 H28 O14 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0274","0.0254","","","0.0567","0.0575","","","","","","1.088","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227946","6.045","0.005","7.363","0.005","15.846","0.005","90","0.005","96.636","0.005","90","0.005","700.6","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 O7 Zn -","- C14 H14 O7 Zn -","- C28 H28 O14 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71069","MoKα","","0.0445","0.0428","","","0.1247","0.1271","","","","","","1.079","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227977","13.3215","0.0005","16.4274","0.0007","16.0353","0.0006","90","","113.592","0.001","90","","3215.8","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H80 Cd Cl4 N24 O25 -","- C44 H52 Cd Cl4 N24 O12 -","- C88 H104 Cd2 Cl8 N48 O24 -","2","1","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0464","0.0413","","","0.0963","0.0984","","","","","","1.04","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7228006","10.5112","0.0005","16.4981","0.0007","22.863","0.001","90","","90.391","0.001","90","","3964.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 17(H2O)","","","- C27 H50 Co Gd N9 O20.5 -","- C27 H50 Co Gd N9 O20.5 -","- C108 H200 Co4 Gd4 N36 O82 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0734","0.0483","","","0.1124","0.1206","","","","","","1","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228007","10.4992","0.0004","21.4101","0.0009","16.8664","0.0007","90","","95.879","0.001","90","","3771.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 13(H2O)","","","- C27 H46 Co Gd N9 O18.5 -","- C27 H46 Co Gd N9 O18.5 -","- C108 H184 Co4 Gd4 N36 O74 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0272","0.023","","","0.0478","0.049","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228011","10.6171","0.0005","21.464","0.001","16.9092","0.0009","90","","96.623","0.001","90","","3827.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[La(dipic)3] 2[CoEn3] * 13(H2O)","","","- C54 H92 Co2 La2 N18 O37 -","- C54 H90 Co2 La2 N18 O37 -","- C108 H180 Co4 La4 N36 O74 -","2","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0388","0.0299","","","0.0603","0.0628","","","","","","1","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228058","10.364","0.003","20.041","0.006","15.393","0.004","90","","98.08","0.007","90","","3165.5","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H68 Cu2 N12 O31 P2 -","- C42 H68 Cu2 N12 O31 P2 -","- C84 H136 Cu4 N24 O62 P4 -","2","1","","Gu, Leilei; Qiu, Qi-ming; Zhou, Pei; Hao, Liang; Liu, Minghua; Li, Hui","Unusual crystal structure and chirality of uridine 5′-monophosphate coordination polymer","RSC Adv.","2017","7","34","20840","","10.1039/C7RA00851A","","","0.71073","MoKα","","0.1104","0.071","","","0.1672","0.1815","","","","","","1.046","","","","has coordinates","195340","2020-10-21","18:00:00",""
"7228103","6.0492","0.0004","13.9149","0.0009","12.3077","0.0008","90","","97.355","0.004","90","","1027.46","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","1.54178","CuKα","","0.0384","0.0372","","","0.0983","0.0999","","","","","","1.034","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228148","8.0233","0.0013","14.923","0.003","15.703","0.003","90","","97.694","0.004","90","","1863.2","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0677","0.0506","","","0.1078","0.1152","","","","","","1.027","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228176","9.4162","0.0007","10.2399","0.0008","14.8195","0.0011","90","","106.669","0.001","90","","1368.86","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(B-Bn)2","","","- C34 H32 Cu N2 O2 -","- C34 H32 Cu N2 O2 -","- C68 H64 Cu2 N4 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.039","0.0332","","","0.0718","0.0746","","","","","","1.003","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228202","9.7305","0.0002","8.76406","0.00016","11.0765","0.0002","90","","109.45","0.002","90","","890.68","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","234","123","","- C22 H28 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Chen, Neng-Hua; Zhang, Yu-Bo; Li, Wen; Li, Pan; Chen, Li-Feng; Li, Yao-Lan; Li, Guo-Qiang; Wang, Guo-Cai","Grandiflodines A and B, two novel diterpenoid alkaloids from Delphinium grandiflorum","RSC Adv.","2017","7","39","24129","","10.1039/C7RA02869E","","x-ray","1.54184","CuKα","","0.03","0.0297","","","0.0837","0.084","","","","","","1.111","","","","has coordinates","196233","2020-10-21","18:00:00",""
"7228212","9.166","0.0018","21.819","0.004","11.505","0.002","90","","96.39","0.03","90","","2286.6","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H36 Mn N6 O16 -","- C52 H36 Mn N6 O16 -","- C104 H72 Mn2 N12 O32 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0574","0.0481","","","0.1165","0.1219","","","","","","1.046","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228219","15.369","0.003","17.967","0.004","18.47","0.004","90","","107.96","0.03","90","","4852","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H48 Cd2 N12 O24 -","- C88 H48 Cd2 N12 O24 -","- C176 H96 Cd4 N24 O48 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0552","0.0488","","","0.1355","0.1402","","","","","","1.062","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228249","8.7343","0.0012","8.4099","0.0012","14.2737","0.0019","90","","106.437","0.004","90","","1005.6","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 P -","- C21 H27 N O3 P -","- C42 H54 N2 O6 P2 -","2","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Li, Yi; Zhang, Fan; Gu, Mei; Hu, Sheng; Wang, Xiaolin","Stereocontrolled C(sp3)‒P bond formation with non-activated alkyl halides and tosylates","RSC Adv.","2017","7","40","24652","","10.1039/C7RA02766D","","","0.71073","MoKα","","0.0402","0.0312","","","0.0943","0.1159","","","","","","0.983","","","","has coordinates","196573","2020-10-21","18:00:00",""
"7228276","8.6824","0.0013","20.009","0.003","8.9455","0.0013","90","","107.123","0.003","90","","1485.2","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N6 O6 -","- C30 H32 N6 O6 -","- C60 H64 N12 O12 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.0676","0.043","","","0.097","0.1138","","","","","","1.055","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228289","12.6051","0.0008","8.5936","0.0003","13.0034","0.0008","90","","117.576","0.008","90","","1248.55","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H48 O -","- C29 H48 O -","- C58 H96 O2 -","2","1","","Werner, Georg; Rodygin, Konstantin S.; Kostin, Anton A.; Gordeev, Evgeniy G.; Kashin, Alexey S.; Ananikov, Valentine P.","A solid acetylene reagent with enhanced reactivity: fluoride-mediated functionalization of alcohols and phenols","Green Chem.","2017","","","","","10.1039/C7GC00724H","","","0.71073","MoKα","","0.0555","0.0426","","","0.0855","0.0929","","","","","","1.008","","","","has coordinates","196894","2020-10-21","18:00:00",""
"7228337","9.316","0.003","8.996","0.002","9.458","0.004","90","","104.88","0.04","90","","766.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.0566","0.0462","","","0.1182","0.1302","","","","","","1.08","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228340","12.0929","0.0008","7.6383","0.0006","16.1738","0.0011","90","","93.513","0.006","90","","1491.15","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.1473","0.0781","","","0.1765","0.2357","","","","","","1.028","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228341","8.2307","0.0005","23.9115","0.0014","11.3903","0.001","90","","107.192","0.007","90","","2141.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.0977","0.0618","","","0.153","0.1856","","","","","","0.964","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228395","5.8418","0.0013","18.7","0.004","8.993","0.0015","90","","92.986","0.018","90","","981.1","0.3","296.71","0.1","296.71","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Xiao, Jian; Lin, Libin; Hu, Jiayao; Jiao, Furong; Duan, Dongzhu; Zhang, Qiang; Tang, Haoyu; Gao, Jinming; Wang, Le; Wang, Xiaoling","Highly oxygenated caryophyllene-type and drimane-type sesquiterpenes from Pestalotiopsis adusta, an endophytic fungus of Sinopodophyllum hexandrum","RSC Adv.","2017","7","46","29071","","10.1039/C7RA04267A","","x-ray","0.71073","MoKα","","0.118","0.0743","","","0.1708","0.2249","","","","","","1.075","","","","has coordinates","197560","2020-10-21","18:00:00",""
"7228396","8.1708","0.0004","18.5668","0.0008","11.4565","0.0006","90","","96.846","0.004","90","","1725.62","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","2","","Xiao, Jian; Lin, Libin; Hu, Jiayao; Jiao, Furong; Duan, Dongzhu; Zhang, Qiang; Tang, Haoyu; Gao, Jinming; Wang, Le; Wang, Xiaoling","Highly oxygenated caryophyllene-type and drimane-type sesquiterpenes from Pestalotiopsis adusta, an endophytic fungus of Sinopodophyllum hexandrum","RSC Adv.","2017","7","46","29071","","10.1039/C7RA04267A","","x-ray","1.54184","CuKα","","0.1279","0.0714","","","0.1655","0.221","","","","","","1.047","","","","has coordinates","197560","2020-10-21","18:00:00",""
"7228495","12.8276","0.0003","15.6361","0.0004","16.4483","0.0004","90","","105.384","0.001","90","","3180.89","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Phe exclusion complex","","","- C47 H50 N26 O30 -","- C47 H50 N26 O30 -","- C94 H100 N52 O60 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0936","0.0827","","","0.2047","0.2127","","","","","","1.088","","","","has coordinates","197874","2020-10-21","18:00:00",""
"7228496","12.8204","0.0014","15.4423","0.0009","16.4045","0.0011","90","","103.346","0.004","90","","3160","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Tyr exclusion complex","","","- C47 H50 N26 O29.5 -","- C47 H50 N26 O29.659 -","- C94 H100 N52 O59.318 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.1223","0.0807","","","0.1811","0.2098","","","","","","1.111","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228498","12.6736","0.0002","15.6598","0.0002","16.4846","0.0003","90","","108.761","0.002","90","","3097.81","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Trp exclusion complex","","","- C49 H51 N27 O27.5 -","- C49 H51 N27 O27.473 -","- C98 H102 N54 O54.946 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","1.54184","CuKα","","0.0668","0.0647","","","0.1792","0.182","","","","","","1.042","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228500","8.9452","0.0001","7.6683","0.0001","19.8154","0.0001","90","","91.4239","0.0007","90","","1358.81","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","2","","Li, Wei; Zhang, Jun-Sheng; Huang, Jia-Luo; Jiang, Min-Hong; Xu, You-Kai; Ahmed, Abrar; Yin, Sheng; Tang, Gui-Hua","New prenylated coumarins from the stems of Toddalia asiatica","RSC Adv.","2017","7","49","31061","","10.1039/C7RA04794K","","x-ray","1.54184","CuKα","","0.0378","0.0366","","","0.0966","0.0979","","","","","","1.0627","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7228516","6.2804","0.0003","17.271","0.0006","10.3842","0.0004","90","","101.759","0.004","90","","1102.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C50 H56 O14 -","2","1","","Wu, Xia; Fang, Li-Zhen; Liu, Feng-Lou; Pang, Xue-Jiao; Qin, Hai-Li; Zhao, Ting; Xu, Lu-Lin; Yang, Deng-Feng; Yang, Xiao-Long","New prenylxanthones, polyketide hemiterpenoid pigments from the endophytic fungus Emericella sp. XL029 and their anti-agricultural pathogenic fungal and antibacterial activities","RSC Adv.","2017","7","49","31115","","10.1039/C7RA04762B","","","0.71073","MoKα","","0.0631","0.0478","","","0.1072","0.1177","","","","","","1.057","","","","has coordinates","197914","2020-10-21","18:00:00",""
"7228596","15.0721","0.0008","15.6298","0.0009","17.039","0.001","90","","92.792","0.002","90","","4009.2","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C162 H152 Ag4 As4 B4 F32 N16 O4 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.0742","0.0442","","","0.0916","0.1037","","","","","","1.024","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228604","6.2963","0.0013","10.568","0.002","22.978","0.005","90","","92.7","0.03","90","","1527.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 F4 I N2 -","- C15 H11 F4 I N2 -","- C60 H44 F16 I4 N8 -","4","2","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0784","0.0569","","","0.1261","0.1366","","","","","","1.058","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228626","7.6255","0.0004","27.2984","0.0013","9.2094","0.0005","90","","90.413","0.005","90","","1917.02","0.17","104.7","","104.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O6 S2 -","- C19 H22 N2 O6 S2 -","- C76 H88 N8 O24 S8 -","4","2","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0484","0.0448","","","0.1097","0.1142","","","","","","1.041","","","","has coordinates","198359","2020-10-21","18:00:00",""
"7228640","10.6304","0.0004","10.6493","0.0005","16.3294","0.0008","90","","104.655","0.005","90","","1788.45","0.14","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H38 Cl2 O6 -","- C46 H38 Cl2 O6 -","- C92 H76 Cl4 O12 -","2","1","","Buffeteau, Thierry; Pitrat, Delphine; Daugey, Nicolas; Calin, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ducasse, Laurent; Wien, Frank; Brotin, Thierry","Chiroptical properties of cryptophane-111","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02045G","","","1.54184","CuKα","","0.0534","0.0476","","","0.1224","0.1303","","","","","","1.038","","","","has coordinates","198504","2020-10-21","18:00:00",""
"7228754","10.348","0.0005","15.6841","0.0006","10.7299","0.0005","90","","109.506","0.005","90","","1641.5","0.14","289.48","0.1","289.48","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl N6 O9 S -","- C26 H36 Cl N5 O10 S -","- C52 H72 Cl2 N10 O20 S2 -","2","1","","Zhang, Li-Jun; Zhang, Si-Xiang; Fu, Li-Na; Li, Xiao-Yun; Guo, Qi-Xiang","Organocatalytic synthesis of enantioenriched 1,2,4-triazolines containing a chiral quaternary carbon center","RSC Adv.","2017","7","30","18714","","10.1039/C6RA28800F","","x-ray","1.54184","CuKα","","0.0391","0.0381","","","0.0971","0.0982","","","","","","1.064","","","","has coordinates","199042","2020-10-21","18:00:00",""
"7228838","9.831","0.0002","19.9437","0.0004","10.6022","0.0002","90","","97.857","0.002","90","","2059.22","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) bromide","","- C14 H18 Br O2 S8 -","- C14 H18 Br O2 S8 -","- C56 H72 Br4 O8 S32 -","4","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71073","MoKα","","0.0375","0.0342","","","0.0741","0.0759","","","","","","1.04","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228863","9.5634","0.0004","11.2799","0.0005","14.919","0.0006","90","","103.457","0.001","90","","1565.19","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N O6 -","- C33 H53 N O6 -","- C66 H106 N2 O12 -","2","1","","Nian, Yin; Yan, Hui; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua","Cimifrigines A‒G, cytotoxic triterpenes with an oxime group from the flowers of Cimicifuga frigida","RSC Adv.","2017","7","61","38557","","10.1039/C7RA07275A","","","1.54178","CuKα","","0.1072","0.1056","","","0.2898","0.295","","","","","","1.492","","","","has coordinates","199635","2020-10-21","18:00:00",""
"7228868","5.182","0.0009","6.5439","0.0011","19.416","0.003","90","","92.448","0.009","90","","657.81","0.19","89","2","89","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-cyclohexyl-2-naphthamide","","- C17 H19 N O -","- C17 H19 N O -","- C34 H38 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0628","0.0486","","","0.1417","0.1692","","","","","","1.09","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228902","10.441","0.0008","9.3621","0.0007","11.5467","0.0009","90","","93.816","0.002","90","","1126.18","0.15","170.03","","170.03","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C48 H54 Br2 N4 O4 -","2","1","","Zhang, Lili; Zhou, Xiao; Li, Pengfei; Liu, Zhantao; Liu, Yang; Sun, Yong; Li, Wenjun","Asymmetric synthesis of chromene skeletons via organocatalytic domino reactions of in situ generated ortho-quinone methide with malononitrile and β-functionalized ketone","RSC Adv.","2017","7","62","39216","","10.1039/C7RA08157J","","","1.54178","CuKα","","0.0534","0.0533","","","0.1401","0.1402","","","","","","1.076","","","","has coordinates","199717","2020-10-21","18:00:00",""
"7228904","6.657","0.003","8.652","0.003","9.708","0.003","90","","102.42","0.03","90","","546.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H12 Er0.02 N O8 Y0.91 Yb0.07 -","- C6 H12 Er0.02 N O8 Y0.91 Yb0.07 -","- C12 H24 Er0.04 N2 O16 Y1.82 Yb0.14 -","2","1","","Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta","Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04005A","","x-ray","0.71073","MoKα","","0.024","0.0218","","","0.0493","0.0502","","","","","","1.095","","","","has coordinates","199766","2020-10-21","18:00:00",""
"7228905","6.61","0.003","8.599","0.003","9.656","0.003","90","","102.01","0.03","90","","536.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 Er0.2 N O8 Yb0.8 -","- C6 H12 Er0.2 N O8 Yb0.8 -","- C12 H24 Er0.4 N2 O16 Yb1.6 -","2","1","","Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta","Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04005A","","","0.71073","MoKα","","0.0214","0.0184","","","0.0322","0.0331","","","","","","1.072","","","","has coordinates","199766","2020-10-21","18:00:00",""
"7228906","6.663","0.003","8.658","0.003","9.716","0.003","90","","102.45","0.03","90","","547.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 Eu0.08 N O8 Y0.92 -","- C6 H12 Eu0.08 N O8 Y0.92 -","- C12 H24 Eu0.16 N2 O16 Y1.84 -","2","1","","Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta","Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04005A","","x-ray","0.71073","MoKα","","0.0226","0.0201","","","0.0447","0.0455","","","","","","1.073","","","","has coordinates","199766","2020-10-21","18:00:00",""
"7228918","13.9902","0.0003","34.5843","0.001","21.6729","0.0005","90","","102.757","0.002","90","","10227.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N1,N3-bis(2-benzamidophenyl)isophthalamide tetra-butyl ammonium fluoride complex","","","- C53 H69 F N6 O5 -","- C53 H69 F N6 O5 -","- C424 H552 F8 N48 O40 -","8","4","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54178","CuKα","","0.2572","0.117","","","0.2164","0.289","","","","","","1.038","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228927","5.4013","0.0008","8.2636","0.0013","17.057","0.003","90","","98.759","0.002","90","","752.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O5 -","- C16 H14 Br N O5 -","- C32 H28 Br2 N2 O10 -","2","1","","Zhou, Jing; Bai, Lijuan; Liang, Guojuan; Chen, Yongjie; Gan, Zongjie; Wang, Wu; Zhou, Hui; Yu, Yu","Organocatalytic asymmetric domino Michael/O-alkylation reaction for the construction of succinimide substituted 3(2H)-furanones catalyzed by quinine","RSC Adv.","2017","7","63","39885","","10.1039/C7RA07317H","","","0.71073","MoKα","","0.0536","0.0505","","","0.1446","0.1472","","","","","","1.044","","","","has coordinates","199812","2020-10-21","18:00:00",""
"7228944","8.954","0.0004","8.9365","0.0005","10.4047","0.0005","90","","99.97","0.003","90","","819.98","0.07","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,5aR,7aS,E)-2,3a,6,6-tetramethyl-3a,4,5,5a,6,7,7a,9,10,10a-decahydro-8H-cyclobuta[6,7]cyclonona[1,2-d]oxazol-8-one oxime","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C32 H52 N4 O4 -","2","1","","Ma, Shuang-Jiang; Yu, Jie; Fan, Hua-Fang; Li, Zi-Han; Zhang, An-Ling; Zhang, Qiang","Exploring sesquiterpene alkaloid-like scaffolds via Beckmann-transannular remodelling of beta-caryophyllene","RSC Adv.","2017","7","64","40510","","10.1039/C7RA08196K","","","","","","0.04","0.0338","","","0.0923","0.0944","","","","","","1.056","","","","has coordinates","199851","2020-10-21","18:00:00",""
"7228953","13.4502","0.0011","8.6269","0.0015","20.472","0.002","90","","94.73","0.008","90","","2367.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 F12 N5 O5 -","- C42 H53 F12 N5 O5 -","- C84 H106 F24 N10 O10 -","2","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2019","0.1119","","","0.2513","0.2878","","","","","","1.177","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7229019","10.8746","0.0007","9.356","0.0006","12.7699","0.0009","90","","108.166","0.002","90","","1234.49","0.14","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Galctose diazide","","","- C27 H28 N6 O4 -","- C27 H28 N6 O4 -","- C54 H56 N12 O8 -","2","1","","Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.","Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar","RSC Adv.","2017","7","66","41755","","10.1039/C7RA08637G","","","0.71073","MoKα","","0.1039","0.0572","","","0.1111","0.1351","","","","","","1.032","","","","has coordinates","200005","2020-10-21","18:00:00",""
"7229031","6.2203","0.0008","16.092","0.002","9.4123","0.0014","90","","102.898","0.004","90","","918.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C40 H68 O4 -","2","1","","Rehman, Najeeb Ur; Hussain, Hidayat; Al-Shidhani, Sulaiman; Avula, Satya Kumar; Abbas, Ghulam; Anwar, Muhammad Usman; Górecki, Marcin; Pescitelli, Gennaro; Al-Harrasi, Ahmed","Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state","RSC Adv.","2017","7","67","42357","","10.1039/C7RA07351H","","","0.71073","MoKα","","0.069","0.0519","","","0.1259","0.138","","","","","","0.951","","","","has coordinates","200060","2020-10-21","18:00:00",""
"7229057","16.0271","0.0003","13.2323","0.0003","24.2112","0.0005","90","","91.014","0.002","90","","5133.8","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Ru(MeCN)3(tripphos)](CF3SO3)2","","","- C49 H48 F6 N3 O6 P3 Ru S2 -","- C49 H48 F6 N3 O6 P3 Ru S2 -","- C196 H192 F24 N12 O24 P12 Ru4 S8 -","4","2","","Latifi, Elnaz; Marchese, Austin; Hulls, Margaret; Soldatov, Dmitriy V.; Schlaf, Marcel","[Ru(triphos)(CH3CN)3](OTf)2 as a homogeneous catalyst for the hydrogenation of biomass derived 2,5-hexanedione and 2,5-dimethyl-furan in aqueous acidic medium.","Green Chem.","2017","","","","","10.1039/C7GC01956D","","","0.71073","MoKα","","0.0822","0.0619","","","0.1605","0.1724","","","","","","1.062","","","","has coordinates,has disorder","200168","2020-10-21","18:00:00",""
"7229086","6.5387","0.0003","15.6854","0.0006","11.6872","0.0004","90","","99.614","0.004","90","","1181.83","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0627","0.0372","","","0.08","0.086","","","","","","0.876","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229106","9.915","0.003","4.8296","0.0013","11.944","0.003","90","","92.907","0.009","90","","571.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0921","0.0677","","","0.1715","0.1869","","","","","","1.053","","","","has coordinates","200511","2020-10-21","18:00:00",""
"7229149","12.8374","0.0003","10.8913","0.0003","24.3599","0.0006","90","","99.441","0.002","90","","3359.77","0.15","102.8","","102.8","","","","","","","","","3","P 1 21 1","P 2yb","4","","secopierisformoside G","","- C32 H48 O16 -","- C32 H42 O16 -","- C128 H168 O64 -","4","2","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0635","0.0592","","","0.1599","0.1658","","","","","","1.038","","","","has coordinates","200819","2020-10-21","18:00:00",""
"7229208","7.7116","0.0004","7.1277","0.0004","8.4076","0.0005","90","","102.612","0.002","90","","450.98","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H17 N O3 -","- C7 H17 N O3 -","- C14 H34 N2 O6 -","2","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","0.71073","MoKα","","0.0306","0.029","","","0.0772","0.0787","","","","","","1.066","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229237","10.8664","0.0004","38.1625","0.0015","11.184","0.0004","90","","106.527","0.001","90","","4446.3","0.3","135","2","135","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H53 Mg N O Si -","- C56 H53 Mg N O Si -","- C224 H212 Mg4 N4 O4 Si4 -","4","2","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0571","0.0453","","","0.0986","0.1041","","","","","","1.017","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229275","9.9954","0.0014","16.749","0.002","15.358","0.002","90","","107.444","0.002","90","","2452.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.89 H21.07 N2.3 O6.5 Zn -","- C17.879 H21.465 N2.293 O6.5 Zn -","- C71.516 H85.86 N9.172 O26 Zn4 -","4","2","","Liu, Jian-Qiang; Kumar, Abhinav; Li, Baohong; Prasad, Rajendra; Batten, Stuart R.; Wu, Jian; Jin, Juncheng; He, Yongxiang","A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01341H","","","0.71073","MoKα","","0.1166","0.0629","","","0.1406","0.168","","","","","","0.951","","","","has coordinates,has disorder","201672","2020-10-21","18:00:00",""
"7229291","5.86059","0.00007","12.67519","0.00017","15.73654","0.00019","90","","94.4504","0.0011","90","","1165.45","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O3 -","- C27 H33 Br O3 -","- C54 H66 Br2 O6 -","2","1","","Liu, Shao-Nan; Hu, Jiayuan; Tan, Shen H.; Wang, Qian; Xu, Jun; Wang, Yan; Yuan, Yan; Gu, Qiong","ent-Rosane diterpenoids from Euphorbia milii showing an Epstein–Barr virus lytic replication assay","RSC Adv.","2017","7","74","46938","","10.1039/C7RA08877A","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0704","0.0705","","","","","","1.035","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7229383","9.91935","0.00009","8.16154","0.00007","15.73111","0.00016","90","","92.8934","0.0009","90","","1271.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","LZD-14-1-4","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.0281","0.0276","","","0.0691","0.0697","","","","","","1.068","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229393","8.7588","0.0012","15.745","0.002","17.316","0.002","90","","99.308","0.002","90","","2356.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei","Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C‒O cross-coupling","RSC Adv.","2017","7","78","49436","","10.1039/C7RA09053F","","","0.71073","MoKα","","0.0643","0.0455","","","0.119","0.1417","","","","","","1.043","","","","has coordinates","202297","2020-10-21","18:00:00",""
"7229501","11.7535","0.0011","5.4477","0.0005","12.702","0.0012","90","","105.281","0.004","90","","784.55","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C32 H56 O8 -","2","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1595","0.0679","","","0.1055","0.1235","","","","","","1.025","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229502","5.4895","0.0004","13.2356","0.0012","11.0897","0.001","90","","91.805","0.002","90","","805.34","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 O5 -","- C16 H28 O5 -","- C32 H56 O10 -","2","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.052","0.0443","","","0.1117","0.1175","","","","","","1.051","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229503","5.7605","0.0005","9.1002","0.0008","31.056","0.003","90","","91.347","0.001","90","","1627.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","2","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1871","0.1255","","","0.2966","0.3477","","","","","","1.086","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229505","11.1974","0.0008","14.7981","0.001","12.0119","0.0008","90","","112.731","0.001","90","","1835.8","0.2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Cd2 N4 O11 -","- C35 H46 Cd2 N4 O11 -","- C70 H92 Cd4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0325","0.0288","","","0.0641","0.0675","","","","","","1.03","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229506","10.3191","0.0013","13.4103","0.0016","13.1239","0.0016","90","","93.368","0.002","90","","1813","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Co2 N4 O11 -","- C35 H46 Co2 N4 O11 -","- C70 H92 Co4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0549","0.0434","","","0.1093","0.1173","","","","","","1.037","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229508","13.2458","0.001","10.4071","0.0008","19.9682","0.0015","90","","91.592","0.001","90","","2751.6","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H73 Cd2 N8 O17 -","- C52 H73 Cd2 N8 O17 -","- C104 H146 Cd4 N16 O34 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","x-ray","0.71073","MoKα","","0.0408","0.0366","","","0.0866","0.09","","","","","","1.054","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229525","6.7838","0.0011","11.793","0.002","12.664","0.002","90","","104.498","0.004","90","","980.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C46 H54 N2 O4 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0683","0.0575","","","0.1551","0.165","","","","","","1.04","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229566","10.365","0.0002","15.4064","0.0003","28.5396","0.0005","90","","94.72","0.002","90","","4541.96","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cd(Noxisph)~4~(DMF)~5~(H~2~O)","","","- C86 H88 Cd4 N10 O31 -","- C86 H88 Cd4 N10 O31 -","- C172 H176 Cd8 N20 O62 -","2","1","","Wang, Yi; Yang, Huan; Cheng, Gang; Wu, yunying; Lin, Shaomin","Tb(III)-functionalized a new layer-like Cd MOF as luminescent probe for highly selectively sensing Cr3+","CrystEngComm","2017","","","","","10.1039/C7CE01795B","","","0.71073","MoKα","","0.0597","0.0457","","","0.0917","0.0994","","","","","","1.047","","","","has coordinates","203222","2020-10-21","18:00:00",""
"7229578","8.406","0.004","35.455","0.017","12.722","0.006","90","","106.65","0.007","90","","3633","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1648","0.0529","","","0.0909","0.1273","","","","","","0.951","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229580","8.3442","0.0008","35.108","0.003","12.7373","0.0012","90","","107.155","0.001","90","","3565.4","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0991","0.0543","","","0.0936","0.1114","","","","","","1.018","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229609","9.6487","0.0015","5.2866","0.0007","11.1382","0.0019","90","","110.361","0.005","90","","532.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Synthesis of 1-(4-fluorphenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0432","0.0351","","","0.087","0.0913","","","","","","1.058","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229619","7.3712","0.0004","10.3338","0.0006","13.8683","0.0008","90","","93.683","0.003","90","","1054.2","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H8 Cl2 O2 S -","- C9 H8 Cl2 O2 S -","- C36 H32 Cl8 O8 S4 -","4","2","","Pye, Scott J.; Dalgarno, Scott J.; Chalker, Justin M.; Raston, Colin L.","Organic oxidations promoted in vortex driven thin films under continuous flow","Green Chemistry","2018","20","1","118","","10.1039/C7GC03352D","","","0.71073","MoKα","","0.0257","0.0239","","","0.0569","0.058","","","","","","1.069","","","","has coordinates","230088","2020-10-21","18:00:00",""
"7229650","8.3685","0.0009","6.1721","0.0003","18.2702","0.0011","90","","95.727","0.001","90","","938.97","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C40 H44 N4 O8 S2 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0891","0.0577","","","0.1148","0.1279","","","","","","1.043","","","","has coordinates,has disorder","203969","2020-10-21","18:00:00",""
"7229652","8.2444","0.0004","9.9359","0.0004","11.8715","0.0006","90","","110.077","0.003","90","","913.37","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 S -","- C20 H19 N2 O4 S -","- C40 H38 N4 O8 S2 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0407","0.0388","","","0.1053","0.107","","","","","","1.061","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229756","8.4013","0.0017","16.424","0.003","13.536","0.003","90","","104.34","0.03","90","","1809.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H61 Cl N2 O7 S -","- C33 H61 Cl N2 O7 S -","- C66 H122 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0647","0.048","","","0.0832","0.0903","","","","","","1.018","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229757","8.3555","0.0017","16.471","0.003","13.319","0.003","90","","105.13","0.03","90","","1769.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H59 Cl N2 O7 S -","- C32 H59 Cl N2 O7 S -","- C64 H118 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0595","0.0436","","","0.0926","0.1005","","","","","","0.964","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229883","9.49961","0.00015","13.42524","0.00018","12.0837","0.0002","90","","110.171","0.0019","90","","1446.57","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 B N O6 -","- C30 H44 B N O6 -","- C60 H88 B2 N2 O12 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0305","0.0277","","","0.0631","0.0643","","","","","","1.008","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229884","12.1841","0.0004","10.7394","0.0003","16.5166","0.0007","90","","98.35","0.003","90","","2138.29","0.13","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H42 B2 Cl4 N2 O13 -","- C43 H42 B2 Cl4 N2 O13 -","- C86 H84 B4 Cl8 N4 O26 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54178","CuKα","","0.0564","0.052","","","0.1421","0.1445","","","","","","1.022","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229885","11.5542","0.0004","18.7836","0.0005","11.981","0.0004","90","","95.04","0.003","90","","2590.18","0.14","100.01","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","2","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0342","0.0305","","","0.0811","0.0826","","","","","","1.012","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229886","12.2938","0.0001","19.4089","0.0002","16.2958","0.0002","90","","90.477","0.001","90","","3888.19","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H88 B4 N4 O24 -","- C86 H88 B4 N4 O24 -","- C172 H176 B8 N8 O48 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1269","0.1278","","","","","","1.018","","","","has coordinates,has disorder","204739","2020-10-21","18:00:00",""
"7229925","7.891","0.004","7.425","0.003","8.722","0.004","90","","108.523","0.005","90","","484.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H6 N12 O2 -","- C4 H6 N12 O2 -","- C8 H12 N24 O4 -","2","1","","Tao, Jingjing; Jin, Bo; Chu, Shijin; Peng, Rufang; Shang, Yu; Tan, Bisheng","Novel insensitive energetic-cocrystal-based BTO with good comprehensive properties","RSC Advances","2018","8","4","1784","","10.1039/C7RA11428A","","","0.71073","MoKα","","0.0532","0.0517","","","0.1453","0.1472","","","","","","1.003","","","","has coordinates","204974","2020-10-21","18:00:00",""
"7229940","9.64312","0.00019","9.3622","0.0002","22.8165","0.0004","90","","90.9437","0.0018","90","","2059.61","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Ben","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","2","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0403","0.0348","","","0.0785","0.0818","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229941","9.79451","0.00014","9.30687","0.00013","11.51291","0.00016","90","","92.307","0.0012","90","","1048.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Sal","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C44 H58 N2 O14 -","2","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0674","0.068","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229993","5.7343","0.0006","6.799","0.0007","6.9949","0.0007","90","","104.961","0.001","90","","263.47","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","L-malic acid","","- C4 H6 O5 -","- C4 H6 O5 -","- C8 H12 O10 -","2","1","","Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart","l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity","CrystEngComm","2018","20","10","1383","","10.1039/C7CE02107K","","","0.71073","MoKα","","0.0304","0.0294","","","0.0791","0.0798","","","","","","1.05","","","","has coordinates","228893","2020-10-21","18:00:00",""
"7230001","6.9852","0.0002","17.8187","0.0006","8.5879","0.0002","90","","102.313","0.002","90","","1044.32","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H5 Cu5 I4 N10 -","- C6 H5 Cu5 I4 N10 -","- C12 H10 Cu10 I8 N20 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0395","0.0372","","","0.0961","0.0982","","","","","","1.109","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230002","9.0012","0.0006","14.3269","0.001","12.5315","0.0007","90","","94.3","0.006","90","","1611.5","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Cu6 I4 N20 -","- C12 H16 Cu6 I4 N20 -","- C24 H32 Cu12 I8 N40 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0612","0.0529","","","0.1304","0.1364","","","","","","1.054","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230041","3.9678","0.0004","6.9334","0.0007","14.5948","0.0014","90","","94.469","0.002","90","","400.29","0.07","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C14 H8 N4 O4 Se2 -","2","1","","Wang, Hui; Liu, Ju; Wang, Weizhou","Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.","Physical chemistry chemical physics : PCCP","2018","20","7","5227","5234","10.1039/c7cp08215k","","","0.71073","MoKα","","0.0211","0.0206","","","0.0527","0.053","","","","","","1.137","","","","has coordinates","230933","2020-10-21","18:00:00",""
"7230042","3.9951","0.0003","6.9821","0.0006","14.3544","0.0013","90","","91.94","0.002","90","","400.17","0.06","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C14 H8 N4 O4 Se2 -","2","1","","Wang, Hui; Liu, Ju; Wang, Weizhou","Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.","Physical chemistry chemical physics : PCCP","2018","20","7","5227","5234","10.1039/c7cp08215k","","","0.71073","MoKα","","0.0199","0.0173","","","0.0524","0.0769","","","","","","1.298","","","","has coordinates","230933","2020-10-21","18:00:00",""
"7230058","7.9842","0.0009","6.081","0.002","20.127","0.002","90","","100.17","0.011","90","","961.9","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0813","0.0621","","","0.1625","0.1849","","","","","","0.99","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230061","7.9693","0.0002","6.1218","0.0002","19.328","0.0005","90","","101.204","0.002","90","","924.97","0.05","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C44 H42 N2 O4 S2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54178","CuKα","","0.0345","0.0307","","","0.0818","0.0845","","","","","","1.04","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230077","9.8684","0.0009","25.4867","0.0018","10.5567","0.0009","90","","110.979","0.01","90","","2479.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 O4 -","- C28 H30 N4 O4 -","- C112 H120 N16 O16 -","4","2","","Wang, Yong-Chao; Wang, Jun-Liang; Burgess, Kevin S.; Zhang, Jiang-Wei; Zheng, Qiu-Mei; Pu, Ya-Dan; Yan, Li-Jun; Chen, Xue-Bing","Green synthesis of new pyrrolidine-fused spirooxindoles via three-component domino reaction in EtOH/H2O","RSC Advances","2018","8","11","5702","","10.1039/C7RA13207G","","","0.71073","MoKα","","0.0502","0.0391","","","0.0863","0.0936","","","","","","1.058","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230082","12.8719","0.0004","14.5519","0.0004","14.2914","0.0004","90","","115.4","0.001","90","","2418.17","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Cl N2 O -","- C32 H23 Cl N2 O -","- C128 H92 Cl4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0474","0.0405","","","0.1052","0.1104","","","","","","1.009","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230083","13.0192","0.0002","14.6232","0.0003","14.2369","0.0002","90","","115.288","0.001","90","","2450.72","0.07","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Br N2 O -","- C32 H23 Br N2 O -","- C128 H92 Br4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0782","0.0449","","","0.0707","0.0796","","","","","","0.948","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230089","10.9281","0.0002","9.8404","0.0003","11.7942","0.0003","90","","97.535","0.001","90","","1257.36","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","2","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0406","0.0317","","","0.0763","0.0802","","","","","","0.985","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230111","5.7048","0.0001","23.8602","0.0005","9.3419","0.0002","90","","90.604","0.001","90","","1271.53","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(3R,16R)-12-O-β- D-glucopyranosyl-3,11,16-trihydroxy-17(15\ρightarrow16),18(4\ρightarrow3)-diabeo-abieta-4(19),8(9),11(12),13(14)-tetraene-7-one","szemaoenoid A","","- C26 H38 O11 -","- C26 H38 O11 -","- C52 H76 O22 -","2","1","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.03","0.03","","","0.0884","0.0885","","","","","","1.113","","","","has coordinates","206359","2020-10-21","18:00:00",""
"7230112","11.5843","0.0007","9.5501","0.0006","15.2093","0.001","90","","92.859","0.004","90","","1680.53","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(3S,16S)-12,16-epoxy-3,11,14-trihydroxy-17(15\ρightarrow16)-abeo-abieta-8(9),11(12),13(14)-triene-7-one","szemaoenoid J","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.0701","0.0627","","","0.1682","0.1743","","","","","","1.058","","","","has coordinates","206359","2020-10-21","18:00:00",""
"7230148","4.8908","0.0001","37.3867","0.0009","15.8515","0.0004","90","","95.896","0.001","90","","2883.13","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 F2 N2 S2 -","- C32 H38 F2 N2 S2 -","- C128 H152 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0512","0.0498","","","0.1352","0.1363","","","","","","1.05","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230287","6.9761","0.0006","7.6181","0.0006","8.3283","0.0007","90","","94.646","0.004","90","","441.15","0.06","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C18 H26 N2 O4 -","2","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0718","0.0709","","","0.2021","0.2041","","","","","","1.114","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230330","6.1462","0.0006","18.7572","0.0019","16.1025","0.0016","90","","95.859","0.002","90","","1846.7","0.3","297","2","297","2","","","","","","","photochromic","4","P 1 21 1","P 2yb","4","35tBu-3SAP","2,4-tert-butyl-6-[(E)-3-pyridyliminomethyl]phenol","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","2","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1515","0.0686","","","0.1397","0.1736","","","","","","1.03","","","","has coordinates,has disorder","229094","2020-10-21","18:00:00",""
"7230375","10.3927","0.0017","7.2489","0.0012","11.146","0.0018","90","","116.46","0.002","90","","751.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0345","0.0291","","","0.0633","0.0649","","","","","","1.006","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230410","8.7539","0.0014","10.693","0.0017","11.5682","0.0018","90","","102.694","0.002","90","","1056.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Cl2 N O2 -","- C25 H21 Cl2 N O2 -","- C50 H42 Cl4 N2 O4 -","2","1","","Liu, Fu-Jun; Sun, Tian-Tian; Yang, Yun-Gang; Huang, Chao; Chen, Xue-Bing","Divergent synthesis of dual 1,4-dihydropyridines with different substituted patterns from enaminones and aldehydes through domino reactions","RSC Advances","2018","8","23","12635","","10.1039/C8RA01236A","","","0.71073","MoKα","","0.0518","0.0387","","","0.1013","0.1103","","","","","","0.953","","","","has coordinates","207222","2020-10-21","18:00:00",""
"7230477","18.82","0.005","9.636","0.003","29.019","0.008","90","","99.313","0.004","90","","5193","3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","BCOD-bisANBODIPYtetraester","","- C106 H130 B2 Cl6 F4 N4 O10 -","- C106 H130 B2 Cl6 F4 N4 O10 -","- C212 H260 B4 Cl12 F8 N8 O20 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","0.71075","MoKα","","0.1355","0.0981","","","0.2083","0.234","","","","","","1.055","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230502","14.1111","0.0001","11.0424","0.0001","20.3079","0.0002","90","","94.01","0.001","90","","3156.64","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H75 Cl9 O20 -","- C57 H75 Cl9 O20 -","- C114 H150 Cl18 O40 -","2","1","","Yan, Chong; Liu, Weiyang; Li, Jing; Deng, Yanlian; Chen, Senhua; Liu, Hongju","Bioactive terpenoids from Santalum album derived endophytic fungus Fusarium sp. YD-2","RSC Advances","2018","8","27","14823","","10.1039/C8RA02430H","","x-ray","1.54178","CuKα","","0.0618","0.0605","","","0.1718","0.1739","","","","","","1.043","","","","has coordinates","207404","2020-10-21","18:00:00",""
"7230513","6.1629","0.0002","18.1237","0.0006","12.4853","0.0004","90","","102.545","0.002","90","","1361.25","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","1","","Lu, Ni-Hong; Zhang, Zi-Wei; Guo, Rui-Wei; Yang, Li-Xia; Song, Ya-Xian; Ye, Jin-Shan; Shi, Yan-Kun","Yunnanterpene G, a spiro-triterpene from the roots of Cimicifuga foetida, downregulates the expression of CD147 and MMPs in PMA differentiated THP-1 cells","RSC Advances","2018","8","27","15036","","10.1039/C8RA01895B","","","1.54178","CuKα","","0.0472","0.0456","","","0.1194","0.1209","","","","","","1.047","","","","has coordinates","207424","2020-10-21","18:00:00",""
"7230563","7.3454","0.0013","6.2161","0.001","10.797","0.0018","90","","108.144","0.015","90","","468.48","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","1","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0895","0.0673","","","0.184","0.1977","","","","","","1.001","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230568","9.071","0.003","8.725","0.003","11.441","0.004","90","","112.448","0.004","90","","836.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C34 H26 Br4 N2 O4 S2 -","2","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.0531","0.0455","","","0.1178","0.1224","","","","","","1.075","","","","has coordinates","229109","2020-10-21","18:00:00",""
"7230576","7.406","0.0006","9.7868","0.0007","15.3808","0.0012","90","","97.385","0.004","90","","1105.57","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 Br Mo N5 O3 -","- C19 H24 Br Mo N5 O3 -","- C38 H48 Br2 Mo2 N10 O6 -","2","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0578","0.0415","","","0.0825","0.0889","","","","","","1.041","","","","has coordinates,has disorder","207600","2020-10-21","18:00:00",""
"7230667","12.8989","0.0017","5.8609","0.0005","13.5007","0.0019","90","","116.417","0.017","90","","914.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 F N O4 -","- C18 H26 F N O4 -","- C36 H52 F2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0923","0.0653","","","0.1773","0.2054","","","","","","1.163","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230668","12.146","0.002","6.0004","0.0007","14.022","0.003","90","","112.03","0.02","90","","947.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C36 H52 Cl2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1288","0.0675","","","0.1746","0.2241","","","","","","1.052","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230670","11.5582","0.0008","6.0006","0.0003","27.226","0.002","90","","101.111","0.007","90","","1852.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C72 H104 Cl4 N4 O16 -","4","2","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0914","0.0583","","","0.1374","0.1581","","","","","","1.047","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230717","7.3613","0.0002","39.3723","0.0009","14.2823","0.0004","90","","98.867","0.003","90","","4089.99","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C88 H96 N12 O22 -","- C88 H96 N12 O22 -","- C176 H192 N24 O44 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0942","0.0576","","","0.1068","0.123","","","","","","1.028","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230739","8.36693","0.00018","7.08624","0.00014","19.5336","0.0004","90","","93.2815","0.0018","90","","1156.25","0.04","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","2","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0381","0.0334","","","0.0811","0.0846","","","","","","1.051","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230744","5.94601","0.00013","5.17983","0.00013","18.2456","0.0005","90","","94.739","0.002","90","","560.03","0.02","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 Cl O3 -","- C13 H11 Cl O3 -","- C26 H22 Cl2 O6 -","2","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0371","0.0358","","","0.092","0.0934","","","","","","1.038","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230745","11.11016","0.0001","9.04172","0.00009","15.58673","0.00013","90","","95.3028","0.0008","90","","1559.06","0.02","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C78 H72 O18 -","6","3","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.03","0.0277","","","0.0673","0.0692","","","","","","1.06","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230754","12.931","0.003","27.071","0.005","13.699","0.003","90","","118.15","0.03","90","","4228","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H48 N14 O34 Zn5 -","- C72 H48 N14 O34 Zn5 -","- C144 H96 N28 O68 Zn10 -","2","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.1529","0.0661","","","0.1346","0.1619","","","","","","0.872","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230795","4.8172","0.0001","9.6864","0.0003","11.2302","0.0003","90","","96.724","0.003","90","","520.41","0.02","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","sulfanilamid sulfamic acid salt","4-aminobenzenosulfonamid sulfamic acid salt","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C12 H22 N6 O10 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0474","0.0364","","","0.0766","0.0852","","","","","","1.058","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230892","6.513","0.004","18.564","0.015","14.116","0.007","90","","92.67","0.06","90","","1704.9","1.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Steroid","","","- C40 H60 O6 -","- C40 H60 O6 -","- C80 H120 O12 -","2","1","","Farooq, Rabia; Hussain, Nusrat; Yousuf, Sammer; Atia-tul-Wahab, Atia-tul-Wahab; Ahmad, Malik Shoaib; Atta-ur-Rahman, Atta-ur-Rahman; Choudhary, M. Iqbal","Microbial transformation of mestanolone by Macrophomina phaseolina and Cunninghamella blakesleeana and anticancer activities of the transformed products","RSC Advances","2018","8","39","21985","","10.1039/C8RA01309H","","","1.54178","CuKα","","0.0799","0.0641","","","0.1595","0.1669","","","","","","1.115","","","","has coordinates","208386","2020-10-21","18:00:00",""
"7230896","10.7168","0.0006","11.1292","0.0005","15.2937","0.0008","90","","106.246","0.006","90","","1751.23","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0847","0.05","","","0.0947","0.1024","","","","","","0.925","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230908","8.3434","0.0007","6.0678","0.0004","14.7523","0.0012","90","","103.178","0.004","90","","727.18","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H14 O -","- C21 H14 O -","- C42 H28 O2 -","2","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0459","0.0336","","","0.0842","0.0929","","","","","","0.965","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230971","8.4873","0.0016","34.193","0.005","8.7571","0.0016","90","","97.759","0.006","90","","2518.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 N4 O5 S -","- C25 H26 N4 O5 S -","- C100 H104 N16 O20 S4 -","4","2","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1409","0.0603","","","0.0953","0.116","","","","","","1.008","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230974","8.4154","0.0017","34.97","0.007","8.6188","0.0018","90","","100.377","0.007","90","","2494.9","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 N4 O5 S -","- C25 H26 N4 O5 S -","- C100 H104 N16 O20 S4 -","4","2","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0749","0.0465","","","0.0912","0.1005","","","","","","1.024","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230989","8.0233","0.0005","7.9864","0.0006","9.3673","0.0006","90","","95.686","0.002","90","","597.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O7 -","- C8 H16 N4 O7 -","- C16 H32 N8 O14 -","2","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0284","0.0282","","","0.0752","0.0756","","","","","","1.068","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7231031","8.9164","0.0006","16.6045","0.001","16.3908","0.0011","90","","101.409","0.003","90","","2378.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 F6 N2 -","- C29 H18 F6 N2 -","- C116 H72 F24 N8 -","4","2","","Panda, Manas K.; Ravi, Nayana; Asha, P.; Prakasham, A. P.","High contrast mechanochromic and thermochromic luminescence switching by a deep red emitting organic crystal","CrystEngComm","2018","20","39","6046","","10.1039/C8CE00696B","","","0.71073","MoKα","","0.1183","0.0836","","","0.2499","0.2874","","","","","","1.045","","","","has coordinates","228968","2020-10-21","18:00:00",""
"7231097","9.5211","0.001","11.9295","0.0007","20.9205","0.0017","90","","100.11","0.008","90","","2339.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((2S,5R)-5-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-1-(9H-fluoren-9-yl)pyrrolidin-2-yl)methanol","","- C26 H24 Cl N5 O -","- C26 H24 Cl N5 O -","- C104 H96 Cl4 N20 O4 -","4","2","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.1806","0.0723","","","0.0854","0.1282","","","","","","0.961","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231127","18.0243","0.0008","10.3625","0.0004","20.7752","0.0009","90","","107.417","0.002","90","","3702.4","0.3","166","2","166","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cl2 Dy N7 O17 -","- C30 H30 Cl2 Dy N7 O17 -","- C120 H120 Cl8 Dy4 N28 O68 -","4","2","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0471","0.0535","","","","","","1.033","","","","has coordinates,has disorder","228924","2020-10-21","18:00:00",""
"7231134","9.453","0.003","40.907","0.005","9.917","0.003","90","","91.57","0.02","90","","3833.4","1.7","248","","248","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H47 N O6 -","- C45 H47 N O6 -","- C180 H188 N4 O24 -","4","2","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","1.54184","CuKα","","0.049","0.041","","","","0.122","","","","","","1.05","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231135","5.51895","0.00007","15.5145","0.0002","22.2271","0.0003","90","","94.4499","0.0012","90","","1897.43","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43.95 B N5 O10 -","- C41 H43.95 B N5 O10 -","- C82 H87.9 B2 N10 O20 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1029","0.1045","","","","","","1.042","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231140","5.5624","0.00009","19.1848","0.0003","16.7363","0.0003","90","","95.1248","0.0015","90","","1778.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H42 B N5 O8 -","- C36.9999 H41.9997 B N5 O8 -","- C73.9998 H83.9994 B2 N10 O16 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0322","0.03","","","0.0702","0.0714","","","","","","1.011","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231259","5.4363","0.0007","10.3418","0.0013","11.8349","0.0017","90","","99.739","0.005","90","","655.78","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0592","0.0422","","","0.0814","0.0875","","","","","","1.034","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231260","5.4205","0.0007","10.3464","0.0013","11.5006","0.0015","90","","99.5","0.004","90","","636.14","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6.47 H7.93 Li0.5 N0.5 O2.47 -","- C6.4665 H7.933 Li0.5 N0.5 O2.4665 -","- C25.866 H31.732 Li2 N2 O9.866 -","4","2","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0503","0.04","","","0.0767","0.0787","","","","","","1.073","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231263","5.417","0.0003","10.359","0.0006","11.4916","0.0006","90","","99.552","0.001","90","","635.91","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.02","0.0192","","","0.0479","0.0484","","","","","","1.102","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231281","5.8641","0.0004","9.4679","0.0006","11.6419","0.0007","90","","94.465","0.006","90","","644.4","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Shi, Ting; Hou, Xue-Mei; Li, Zhi-Yong; Cao, Fei; Zhang, Ya-Hui; Yu, Jia-Yin; Zhao, Dong-Lin; Shao, Chang-Lun; Wang, Chang-Yun","Harzianumnones A and B: two hydroxyanthraquinones from the coral-derived fungus Trichoderma harzianum","RSC Advances","2018","8","49","27596","","10.1039/C8RA04865G","","","1.54184","CuKα","","0.0516","0.0424","","","0.0997","0.1107","","","","","","1.041","","","","has coordinates","209377","2020-10-21","18:00:00",""
"7231301","10.2719","0.0002","16.6231","0.0003","19.0321","0.0004","90","","98.982","0.001","90","","3209.9","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H42 N2 O14 Zn2 -","- C47 H42 N2 O14 Zn2 -","- C94 H84 N4 O28 Zn4 -","2","1","","Tanaka, Koichi; Kinoshita, Maya; Kayahara, Jun; Uebayashi, Yutaro; Nakaji, Kazusada; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","Asymmetric ring-opening reaction of meso-epoxides with aromatic amines using homochiral metal‒organic frameworks as recyclable heterogeneous catalysts","RSC Advances","2018","8","49","28139","","10.1039/C8RA05163A","","","1.54178","CuKα","","0.0725","0.0664","","","0.1725","0.1811","","","","","","1.08","","","","has coordinates,has disorder","209412","2020-10-21","18:00:00",""
"7231312","5.35503","0.00014","10.169","0.0002","32.73","0.0007","90","","92.72","0.002","90","","1780.31","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O4 -","- C18 H23 N3 O4 -","- C72 H92 N12 O16 -","4","2","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","1.54184","CuKα","","0.0606","0.0493","","","0.1235","0.1355","","","","","","1.072","","","","has coordinates,has disorder","230095","2020-10-21","18:00:00",""
"7231315","5.66625","0.00019","18.3197","0.0005","17.6253","0.0006","90","","90.314","0.003","90","","1829.55","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","2","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","0.71073","MoKα","","0.0544","0.0421","","","0.0743","0.0791","","","","","","1.046","","","","has coordinates,has disorder","230095","2020-10-21","18:00:00",""
"7231358","4.4245","0.0003","26.1617","0.0019","9.5862","0.0007","90","","92.754","0.002","90","","1108.34","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0262","0.0261","","","0.0682","0.0683","","","","","","1.02","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231373","11.185","0.0009","8.9191","0.0009","17.2838","0.0015","90","","96.393","0.009","90","","1713.5","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C56 H76 N20 O16 S8 -","4","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0921","0.0556","","","0.1151","0.1332","","","","","","0.973","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231405","6.714","0.005","7.119","0.004","14.031","0.005","90","","89.99","0.04","90","","670.6","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Mn2 N2 O12 -","- C6 H6 Mn2 N2 O12 -","- C12 H12 Mn4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.1952","0.1402","","","0.1499","0.1631","","","","3.74","3.74","2.97","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231406","6.64","0.0019","8.4889","0.0018","7.422","0.002","90","","116.45","0.04","90","","374.6","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.088","0.0687","","","0.0798","0.0851","","","","2.38","2.38","2.14","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231407","6.68","0.003","7.097","0.003","13.944","0.005","90","","89.98","0.03","90","","661.1","0.5","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Mn2 N2 O12 -","- C6 H6 Mn2 N2 O12 -","- C12 H12 Mn4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.1947","0.135","","","0.1583","0.1706","","","","4.3","4.3","3.46","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231408","6.443","0.003","8.496","0.002","7.372","0.005","90","","115.64","0.08","90","","363.8","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.1206","0.0964","","","0.1167","0.1235","","","","3.65","3.65","3.2","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231409","6.47","0.002","8.0553","0.0008","7.263","0.002","90","","116.33","0.04","90","","339.26","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.1163","0.0896","","","0.101","0.1075","","","","2.55","2.55","2.12","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231410","6.607","0.003","8.0559","0.001","7.27","0.002","90","","116.96","0.05","90","","344.9","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.1079","0.0916","","","0.1136","0.1165","","","","3.57","3.57","3.2","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231411","6.426","0.003","8.0477","0.001","7.255","0.003","90","","116.12","0.05","90","","336.9","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.105","0.0853","","","0.0945","0.0997","","","","2.69","2.69","2.35","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231412","6.537","0.002","8.4865","0.0016","7.405","0.003","90","","116.09","0.04","90","","368.9","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.0876","0.0754","","","0.0923","0.095","","","","3.14","3.14","2.87","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231414","6.651","0.003","7.067","0.003","13.839","0.004","90","","89.96","0.03","90","","650.5","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Mn2 N2 O12 -","- C6 H6 Mn2 N2 O12 -","- C12 H12 Mn4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.2059","0.1587","","","0.1768","0.1856","","","","4.69","4.69","3.76","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231422","6.8121","0.0017","8.3238","0.0009","7.3916","0.0017","90","","117.39","0.03","90","","372.14","0.17","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.0925","0.0781","","","0.096","0.0989","","","","3.24","3.24","2.92","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231423","6.589","0.0012","7.004","0.002","13.771","0.006","90","","90","0.02","90","","635.5","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Fe2 N2 O12 -","- C6 H6 Fe2 N2 O12 -","- C12 H12 Fe4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.2025","0.1447","","","0.1689","0.1751","","","","4.78","4.78","3.59","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231425","6.741","0.003","8.486","0.003","7.44","0.003","90","","116.87","0.05","90","","379.6","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.0816","0.066","","","0.0759","0.0792","","","","2.58","2.58","2.36","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231428","6.599","0.005","6.957","0.005","13.695","0.011","90","","90.19","0.07","90","","628.7","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Fe2 N2 O12 -","- C6 H6 Fe2 N2 O12 -","- C12 H12 Fe4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.2354","0.1408","","","0.1638","0.1765","","","","3.8","3.8","2.37","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231429","6.558","0.006","6.9977","0.0019","13.697","0.004","90","","90.05","0.05","90","","628.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Fe2 N2 O12 -","- C6 H6 Fe2 N2 O12 -","- C12 H12 Fe4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.29464","synchrotron","","0.1675","0.0883","","","0.2026","0.2461","","","","","","1.311","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231432","6.373","0.005","8.036","0.002","7.247","0.005","90","","115.83","0.09","90","","334.1","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.1304","0.1037","","","0.1186","0.1251","","","","3.07","3.07","2.59","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231498","11.7467","0.0003","9.7126","0.0002","12.6975","0.0003","90","","103.467","0.001","90","","1408.84","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O8 -","- C31 H44 O8 -","- C62 H88 O16 -","2","1","","Li, Lei; Peng, Xing-Rong; Dong, Jin-Run; Lu, Shuang-Yang; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua","Rearranged lanostane-type triterpenoids with anti-hepatic fibrosis activities from Ganoderma applanatum","RSC Advances","2018","8","55","31287","","10.1039/C8RA05282D","","","1.54178","CuKα","","0.036","0.036","","","0.0977","0.0977","","","","","","1.061","","","","has coordinates","210479","2020-10-21","18:00:00",""
"7231544","6.2977","0.0002","7.4401","0.0002","18.2018","0.0006","90","","92.594","0.002","90","","851.98","0.05","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0317","0.0304","","","0.0795","0.0805","","","","","","1.073","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231545","6.4767","0.0004","6.7235","0.0005","20.8609","0.0014","90","","93.851","0.004","90","","906.36","0.11","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0408","0.0386","","","0.0977","0.0995","","","","","","1.07","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231546","6.2884","0.0003","9.3902","0.0005","14.9711","0.0007","90","","98.263","0.002","90","","874.86","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0367","0.0359","","","0.0995","0.1005","","","","","","1.035","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231563","11.765","0.002","6.848","0.0014","15.417","0.003","90","","100.72","0.03","90","","1220.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","1","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0307","0.0307","","","0.0879","0.0879","","","","","","1.104","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231564","18.579","0.004","31.71","0.006","40.968","0.008","90","","92.51","0.03","90","","24113","8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 Ni O2 -","- C34 H40 N2 Ni O2 -","- C1088 H1280 N64 Ni32 O64 -","32","16","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0343","0.0307","","","0.0804","0.0828","","","","","","1.034","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231575","9.0276","0.0002","12.5114","0.0003","10.4264","0.0002","90","","103.238","0.001","90","","1146.35","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Sm2 -","- C16 H20 O18 Sm2 -","- C32 H40 O36 Sm4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.036","0.0368","","","","","","1.053","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231577","8.9118","0.0002","12.3451","0.0003","10.34","0.0002","90","","103.048","0.0009","90","","1108.21","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Er2 O18 -","- C16 H20 Er2 O18 -","- C32 H40 Er4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0257","0.0209","","","0.0318","0.0326","","","","","","1.005","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231579","9.0081","0.0003","12.4849","0.0004","10.4062","0.0003","90","","103.211","0.001","90","","1139.36","0.06","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Eu2 O18 -","- C16 H20 Eu2 O18 -","- C32 H40 Eu4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0191","0.0164","","","0.0282","0.0286","","","","","","1.058","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231580","8.9635","0.0003","12.4252","0.0004","10.3811","0.0004","90","","103.123","0.0011","90","","1125.99","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Tb2 -","- C16 H20 O18 Tb2 -","- C32 H40 O36 Tb4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.038","0.0281","","","0.0484","0.0508","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231594","15.483","0.007","5.745","0.002","19.668","0.008","90","","110.025","0.008","90","","1643.7","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","co-crystal of naproxen and 4,4'-azopyridine","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C76 H72 N8 O12 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.05","0.0381","","","0.0866","0.0921","","","","","","1.048","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231636","8.7246","0.0003","18.8111","0.0005","11.1783","0.0004","90","","111.852","0.005","90","","1702.76","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 I3 N6 O3 -","- C30 H39 I3 N6 O3 -","- C60 H78 I6 N12 O6 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0637","0.0713","","","","","","1","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231706","9.322","0.0003","20.3199","0.0007","9.6981","0.0003","90","","100.515","0.003","90","","1806.19","0.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Bi2 Br12 N3 O3 -","- C15 H15 Bi2 Br12 N3 O3 -","- C30 H30 Bi4 Br24 N6 O6 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0479","0.0423","","","0.0845","0.0883","","","","","","1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231707","8.1878","0.0007","12.1235","0.0009","19.5314","0.0015","90","","99.969","0.008","90","","1909.5","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Bi2 Br12 N3 O2 -","- C18 H21 Bi2 Br12 N3 O2 -","- C36 H42 Bi4 Br24 N6 O4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0533","0.0481","","","0.0991","0.105","","","","","","1.078","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231834","15.407","0.002","5.8843","0.0006","15.664","0.002","90","","114.753","0.018","90","","1289.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N3 O6 -","- C26 H33 N3 O6 -","- C52 H66 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.1038","0.0721","","","0.1949","0.2202","","","","","","1.029","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231835","4.96731","0.00012","19.4022","0.0005","12.4703","0.0003","90","","92.486","0.003","90","","1200.72","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.0377","0.0346","","","0.0996","0.1048","","","","","","0.608","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231854","10.056","0.0004","8.2456","0.0004","17.0806","0.0008","90","","90.025","0.002","90","","1416.28","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H52 O6 -","- C30 H52 O6 -","- C60 H104 O12 -","2","1","","Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang","Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential","RSC Advances","2018","8","68","39091","","10.1039/C8RA08125E","","","1.54178","CuKα","","0.1536","0.1302","","","0.3005","0.3291","","","","","","1.243","","","","has coordinates","212128","2020-10-21","18:00:00",""
"7231898","3.9878","0.0002","12.0606","0.0007","24.7189","0.0014","90","","93.93","0.003","90","","1186.07","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla","Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination","Green Chemistry","2019","21","1","99","","10.1039/C8GC02520G","","","1.54178","CuKα","","0.0439","0.0386","","","0.0935","0.0966","","","","","","1.053","","","","has coordinates","224598","2020-10-21","18:00:00",""
"7231918","8.8708","0.0018","15.609","0.003","18.593","0.004","90","","90.01","0.03","90","","2574.5","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0309","0.0304","","","0.0698","0.0702","","","","","","1.055","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231920","9.6635","0.0003","23.495","0.0006","11.8249","0.0003","90","","113.761","0.001","90","","2457.19","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0328","0.032","","","0.0836","0.0846","","","","","","1.043","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231921","7.866","0.0005","11.3879","0.0008","29.2351","0.0017","90","","95.638","0.002","90","","2606.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H38 N2 O5 -","- C116 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0764","0.0511","","","0.1119","0.121","","","","","","0.972","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231984","21.3684","0.0007","12.7595","0.0004","22.3975","0.0008","90","","109.631","0.004","90","","5751.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H72 Ge2 K2 O112 W20 Zr4 -","- C4 H2 Ge2 K2 O99 W20 Zr4 -","- C8 H4 Ge4 K4 O198 W40 Zr8 -","2","1","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.0821","0.0612","","","0.1664","0.1809","","","","","","1","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7232007","12.2955","0.0011","13.9512","0.0011","12.4705","0.0014","90","","102.145","0.009","90","","2091.3","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.08","0.0555","","","0.1288","0.152","","","","","","1.045","","","","has coordinates,has disorder","225334","2020-10-21","18:00:00",""
"7232080","4.2098","0.0005","6.9632","0.0009","14.2021","0.0018","90","","92.36","0.003","90","","415.96","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0397","0.0331","","","0.077","0.0806","","","","","","1.038","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232152","11.0094","0.0004","6.077","0.0002","12.4535","0.0004","90","","103.675","0.002","90","","809.57","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H30 O5 -","- C15 H30 O5 -","- C30 H60 O10 -","2","1","","Li, Yingxin; Zhang, Fengli; Banakar, Shivakumar; Li, Zhiyong","Bortezomib-induced new bergamotene derivatives xylariterpenoids H‒K from sponge-derived fungus Pestalotiopsis maculans 16F-12","RSC Advances","2019","9","2","599","","10.1039/C8RA08209J","","","1.54178","CuKα","","0.0274","0.0258","","","0.0651","0.0663","","","","","","1.034","","","","has coordinates","213003","2020-10-21","18:00:00",""
"7232271","9.7845","0.0014","5.5978","0.0008","32.633","0.005","90","","95.028","0.01","90","","1780.5","0.5","296","2","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","2","","Li, Ye-Xin; Yu, Zhen-Feng; Zhu, Cun-Zhao; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Three new metastable polymorphs of 1-(9-anthryl)-2-(1-naphthyl)ethylene and the polymorph-dependent phase transition and fluorescence change properties","CrystEngComm","2019","21","9","1512","","10.1039/C8CE01935E","","","1.34139","GaKα","","0.2605","0.0799","","","0.1551","0.2312","","","","","","0.96","","","","has coordinates","223664","2020-10-21","18:00:00",""
"7232276","13.8179","0.0005","4.53024","0.00016","16.5413","0.0006","90","","90.096","0.003","90","","1035.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","0.71073","MoKα","","0.0649","0.0628","","","0.176","0.1776","","","","","","1.096","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232277","13.7983","0.0005","4.54885","0.00013","16.5972","0.0005","90","","89.979","0.003","90","","1041.75","0.06","190.03","0.1","190.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0504","0.0488","","","0.1306","0.1335","","","","","","1.014","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232278","13.7588","0.0005","4.52816","0.00013","16.5509","0.0005","90","","89.976","0.003","90","","1031.15","0.06","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1212","0.1225","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232279","13.7503","0.0004","4.52597","0.00012","16.5449","0.0005","90","","89.976","0.003","90","","1029.65","0.05","90.1","0.4","90.1","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1203","0.1213","","","","","","1.041","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232280","13.7934","0.0004","4.54536","0.00012","16.5872","0.0005","90","","89.979","0.003","90","","1039.95","0.05","179.97","0.1","179.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0461","","","0.1236","0.126","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232281","13.7896","0.0005","4.54222","0.00014","16.5883","0.0005","90","","89.976","0.003","90","","1039.01","0.06","170.03","0.1","170.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0483","0.0471","","","0.1249","0.1272","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232282","13.8039","0.0005","4.55103","0.00013","16.6046","0.0005","90","","89.998","0.003","90","","1043.13","0.06","199.97","0.1","199.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.049","0.0474","","","0.1253","0.1287","","","","","","1.035","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232283","13.8211","0.0006","4.55654","0.00016","16.6176","0.0006","90","","89.991","0.004","90","","1046.52","0.07","219.98","0.1","219.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.05","0.0476","","","0.126","0.131","","","","","","1.06","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232284","13.7768","0.0005","4.53799","0.00013","16.578","0.0005","90","","89.98","0.003","90","","1036.44","0.06","150.03","0.1","150.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0489","0.0483","","","0.1271","0.1285","","","","","","1.047","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232285","13.849","0.0006","4.57028","0.00016","16.6432","0.0006","90","","89.994","0.004","90","","1053.41","0.07","270.02","0.1","270.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1411","0.1489","","","","","","1.037","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232286","13.8281","0.0006","4.55914","0.00015","16.6195","0.0006","90","","89.994","0.004","90","","1047.76","0.07","230.01","0.1","230.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1357","0.1412","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232287","13.8405","0.0006","4.56458","0.00016","16.6279","0.0006","90","","89.994","0.004","90","","1050.49","0.07","250.02","0.1","250.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.14","0.1455","","","","","","1.065","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232288","13.7827","0.0005","4.54004","0.00014","16.5843","0.0005","90","","89.974","0.003","90","","1037.75","0.06","159.98","0.1","159.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0485","0.0475","","","0.1261","0.128","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232289","13.8462","0.0007","4.56671","0.00018","16.6389","0.0007","90","","89.992","0.004","90","","1052.1","0.08","259.98","0.1","259.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0508","0.0473","","","0.1264","0.1319","","","","","","1.055","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232290","13.8767","0.001","4.5831","0.0003","16.6695","0.0011","90","","89.995","0.006","90","","1060.15","0.12","310.02","0.1","310.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0706","0.0634","","","0.1729","0.1867","","","","","","1.036","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232291","13.7702","0.0004","4.53628","0.00013","16.5687","0.0005","90","","89.989","0.003","90","","1034.97","0.05","139.99","0.1","139.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1224","0.1235","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232292","13.8115","0.0005","4.55378","0.00014","16.6052","0.0005","90","","89.99","0.003","90","","1044.38","0.06","210.02","0.1","210.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0528","0.0507","","","0.1343","0.1388","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232293","13.7678","0.0004","4.53467","0.00013","16.5652","0.0005","90","","89.975","0.003","90","","1034.21","0.05","130.02","0.1","130.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0474","0.0466","","","0.124","0.1254","","","","","","1.052","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232294","13.8327","0.0007","4.56126","0.00018","16.6307","0.0007","90","","90.013","0.004","90","","1049.31","0.08","239.98","0.1","239.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0501","0.0474","","","0.1245","0.1293","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232295","13.757","0.0005","4.53004","0.00014","16.5589","0.0005","90","","89.965","0.003","90","","1031.95","0.06","110.02","0.12","110.02","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1241","0.1252","","","","","","1.042","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232296","13.7629","0.0005","4.53229","0.00013","16.5628","0.0005","90","","89.962","0.003","90","","1033.15","0.06","122","3","122","3","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1246","0.1263","","","","","","1.038","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232297","13.8533","0.0007","4.57352","0.00016","16.647","0.0007","90","","89.994","0.004","90","","1054.73","0.08","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0526","0.0482","","","0.1271","0.1347","","","","","","1.058","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232298","13.8662","0.0007","4.58166","0.00018","16.6568","0.0007","90","","90.015","0.004","90","","1058.21","0.08","300","0.1","300","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0569","0.0521","","","0.1383","0.1461","","","","","","1.043","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232302","12.5559","0.0004","10.0704","0.0003","12.2295","0.0004","90","","113.522","0.002","90","","1417.84","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","OK-13","OK-13","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.0761","0.0659","","","0.1644","0.1746","","","","","","1.068","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232310","10.6338","0.0004","22.9546","0.0009","12.9795","0.0004","90","","96.78","0.001","90","","3146.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H68 Co2 N8 O13 -","- C68 H68 Co2 N8 O13 -","- C136 H136 Co4 N16 O26 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0553","0.0389","","","0.0961","0.1049","","","","","","0.986","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232323","7.672","0.0011","9.7977","0.0013","9.9187","0.0013","90","","90.011","0.005","90","","745.57","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C24 H38 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.04","0.0347","","","0.0915","0.0952","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232324","10.3216","0.0009","6.6441","0.0005","12.054","0.0011","90","","105.426","0.004","90","","796.86","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N3 O3 S -","- C13 H21 N3 O3 S -","- C26 H42 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0336","0.0306","","","0.0793","0.0817","","","","","","1.034","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232325","10.4333","0.0007","6.8279","0.0004","11.1774","0.0007","90","","113.332","0.004","90","","731.14","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C24 H38 N6 O8 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0389","0.0327","","","0.0727","0.0762","","","","","","1.031","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232326","10.4296","0.0006","6.7642","0.0003","11.2829","0.0006","90","","113.623","0.003","90","","729.28","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N3 O3 S -","- C11 H16 Cl N3 O3 S -","- C22 H32 Cl2 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0416","0.0355","","","0.0923","0.0978","","","","","","1.057","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232327","10.085","0.0005","6.6661","0.0003","18.9899","0.0009","90","","104.813","0.003","90","","1234.22","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H12 Cl N3 O3 S -","- C9 H12 Cl N3 O3 S -","- C36 H48 Cl4 N12 O12 S4 -","4","2","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0407","0.0352","","","0.0878","0.0915","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232328","10.4081","0.0004","5.8338","0.0002","13.2672","0.0005","90","","107.035","0.004","90","","770.22","0.05","150.2","0.3","150.2","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromo-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0488","0.0385","","","0.0565","0.0613","","","","","","1.033","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232329","10.2583","0.0006","5.8537","0.0003","13.2818","0.0009","90","","106.933","0.007","90","","762.98","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chloro-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C28 H24 Cl2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0589","0.0431","","","0.0707","0.0785","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232338","11.3357","0.0009","31.071","0.003","12.8113","0.0011","90","","99.628","0.005","90","","4448.7","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H38 F12 N6 P2 Ru -","- C48 H38 F12 N6 P2 Ru -","- C192 H152 F48 N24 P8 Ru4 -","4","2","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.066","0.0525","","","0.1221","0.1322","","","","","","1.067","","","","has coordinates","225353","2020-10-21","18:00:00",""
"7232358","11.7656","0.0006","15.088","0.0008","13.1523","0.0008","90","","91.793","0.0006","90","","2333.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl8 N8 O32 -","- C24 H40 Cl8 N8 O32 -","- C48 H80 Cl16 N16 O64 -","2","1","","Gan, Xuecheng; Tang, Zheng; Zhang, Wenjun; Xu, Cong; Sun, Xiaofan; Gao, Zhangran; Wu, Yizhang; Cai, Hong-Ling; Wu, X. S.","Molecular ferroelectric pyridin-2-ylmethanaminium perchlorate with phase transition induced by disorder of perchlorate","RSC Advances","2019","9","10","5470","","10.1039/C8RA10031D","","","0.71073","MoKα","","0.087","0.0722","","","0.1919","0.2118","","","","","","1.351","","","","has coordinates,has disorder","213636","2020-10-21","18:00:00",""
"7232397","8.455","0.003","9.0629","0.0013","9.75","0.02","90","","90.82","0.09","90","","747","1.6","293","2","293","2","","","101.325","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0682","0.0493","","","0.1218","0.1554","","","","","","1.165","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232398","8.2704","0.0011","8.9463","0.0009","9.698","0.016","90","","90.54","0.04","90","","717.5","1.2","293","2","293","2","","","140000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1003","0.0777","","","0.1946","0.2365","","","","","","1.094","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232399","7.8573","0.0004","8.5876","0.0004","9.533","0.005","90","","90.103","0.011","90","","643.2","0.3","293","2","293","2","","","1375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0615","0.0496","","","0.1095","0.1211","","","","","","1.112","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232400","8.1489","0.0007","8.8529","0.0005","9.679","0.01","90","","90.55","0.02","90","","698.2","0.7","293","2","293","2","","","350000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0751","0.0575","","","0.1487","0.1706","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232401","7.78108","0.00018","8.47624","0.00015","9.491","0.002","90","","89.76","0.006","90","","625.97","0.13","293","2","293","2","","","1985000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0744","0.0635","","","0.1762","0.1966","","","","","","0.995","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232402","7.75291","0.00015","8.41359","0.00013","9.4554","0.0019","90","","89.589","0.005","90","","616.76","0.12","293","2","293","2","","","2375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0782","0.0667","","","0.1763","0.1972","","","","","","1.15","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232406","7.8138","0.0002","8.5286","0.0002","9.499","0.004","90","","89.91","0.008","90","","633","0.3","293","2","293","2","","","1700000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0717","0.0522","","","0.1297","0.1533","","","","","","1.09","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232407","8.0397","0.0002","8.7626","0.0002","9.644","0.003","90","","90.266","0.007","90","","679.4","0.2","293","2","293","2","","","625000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1025","0.0781","","","0.2111","0.2579","","","","","","1.086","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232425","12.564","0.0003","4.80981","0.00007","15.8319","0.0003","90","","112.756","0.003","90","","882.26","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C24 H60 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1216","0.1244","","","","","","1.078","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232438","17.6709","0.0004","18.1755","0.0007","17.705","0.0004","90","","91.349","0.002","90","","5684.9","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H106 F32 O45 Zn8 -","- C71 H52 F32 O32 Zn8 -","- C142 H104 F64 O64 Zn16 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0702","0.067","","","0.1851","0.1882","","","","","","1.032","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232439","10.474","0.0005","17.8233","0.0009","11.7087","0.0005","90","","107.009","0.0013","90","","2090.18","0.17","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0621","0.06","","","0.1833","0.186","","","","","","1.059","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232440","10.5958","0.0017","17.944","0.002","11.8027","0.0019","90","","107.323","0.006","90","","2142.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0692","0.0658","","","0.1942","0.1991","","","","","","1.069","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232445","5.3813","0.0001","19.4244","0.0004","7.4718","0.0002","90","","102.454","0.002","90","","762.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","2","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0833","0.0845","","","","","","1.048","","","","has coordinates","213875","2020-10-21","18:00:00",""
"7232506","18.2461","0.001","10.1265","0.0006","23.6108","0.0014","90","","91.8549","0.0018","90","","4360.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H68 N2 O5 -","- C48 H68 N2 O5 -","- C192 H272 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0734","0.055","","","0.1315","0.1457","","","","","","1.073","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232507","12.4123","0.0006","11.9482","0.0006","16.985","0.0008","90","","110.83","0.002","90","","2354.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H78 N2 O5 -","- C53 H78 N2 O5 -","- C106 H156 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.037","0.0315","","","0.0687","0.0716","","","","","","1.087","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232508","12.1746","0.0009","12.1005","0.0009","16.8114","0.0012","90","","103.777","0.004","90","","2405.4","0.3","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 N2 O5 -","- C54 H80 N2 O5 -","- C108 H160 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0557","0.0435","","","0.0839","0.0892","","","","","","1.107","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232509","18.4512","0.0005","10.2622","0.0003","25.1817","0.0007","90","","109.629","0.0014","90","","4491.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 N2 O5 -","- C50 H72 N2 O5 -","- C200 H288 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0663","0.0506","","","0.1208","0.1291","","","","","","1.029","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232510","19.0707","0.0009","11.2605","0.0005","21.8074","0.001","90","","96.848","0.003","90","","4649.6","0.4","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H76 N2 O5 -","- C52 H76 N2 O5 -","- C208 H304 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0509","0.0441","","","0.0967","0.1006","","","","","","1.059","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232527","10.6277","0.0009","9.1356","0.0007","14.4964","0.0013","90","","104.143","0.005","90","","1364.8","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","X-32","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.0634","0.0554","","","0.137","0.1431","","","","","","1.048","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232539","14.3395","0.0017","7.9557","0.0009","19.608","0.002","90","","97.036","0.002","90","","2220.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","PRX-TART","Paroxetine tartrate","","- C23 H27 F N O9.5 -","- C23 H27 F N O9.5 -","- C92 H108 F4 N4 O38 -","4","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.052","0.0414","","","0.0961","0.1024","","","","","","1.037","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232570","11.7176","0.0001","28.5764","0.0002","13.3497","0.0001","90","","100.097","0.001","90","","4400.87","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C176 H131 Fe4 N40 Na4 O57.88 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0448","0.0438","","","","0.1234","","","","","","1.035","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232616","10.818","0.0011","9.0405","0.0009","10.9871","0.0011","90","","90.798","0.003","90","","1074.44","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S2 -","- C20 H20 N2 O7 S2 -","- C40 H40 N4 O14 S4 -","2","1","","Zhong, Jinlian; Fu, Hongyu; Jia, Xinjian; Lou, Haoxiang; Wan, Tiantian; Luo, Haiqing; Liu, Huijin; Zhong, Dichang; Luo, Xuzhong","A pH-/thermo-responsive hydrogel formed from N,N′-dibenzoyl-l-cystine: properties, self-assembly structure and release behavior of SA","RSC Advances","2019","9","21","11824","","10.1039/C8RA09058K","","","0.71073","MoKα","","0.0682","0.0472","","","0.1061","0.1149","","","","","","1.043","","","","has coordinates","214666","2020-10-21","18:00:00",""
"7232669","5.3125","0.0002","7.9672","0.0003","16.2923","0.0007","90","","96.61","0.002","90","","685","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0573","0.0544","","","0.1438","0.1467","","","","","","1.157","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232674","13.8935","0.0006","15.9032","0.0007","15.2978","0.0007","90","","108.757","0.002","90","","3200.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0398","0.0353","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232684","13.1517","0.0002","9.5286","0.0001","15.2352","0.0002","90","","91.793","0.001","90","","1908.3","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-alanine","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0357","0.0353","","","0.0941","0.0946","","","","","","1.055","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232685","9.7079","0.0012","9.4265","0.0008","13.9926","0.0013","90","","107.665","0.012","90","","1220.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tryptophan","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0555","0.0454","","","0.089","0.0961","","","","","","1.036","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232687","9.172","0.0002","32.882","0.0005","13.538","0.0003","90","","90.126","0.002","90","","4082.97","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-proline methylester","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0394","0.0393","","","0.1054","0.1054","","","","","","1.039","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232689","8.5896","0.0001","9.9657","0.0001","12.7116","0.0002","90","","94.914","0.001","90","","1084.13","0.02","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-valine","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0352","0.0347","","","0.0911","0.0918","","","","","","1.035","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232692","8.5012","0.0001","9.8952","0.0001","12.8936","0.0002","90","","92.27","0.001","90","","1083.77","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tert-leucine","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0242","0.0241","","","0.0627","0.0628","","","","","","1.076","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232700","6.7747","0.0003","6.9936","0.0002","10.2745","0.0004","90","","99.508","0.004","90","","480.11","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C24 H24 O4 -","2","1","","Zhang, Ying-Qi; Zhu, Xin-Qi; Xu, Yin; Bu, Hao-Zhen; Wang, Jia-Le; Zhai, Tong-Yi; Zhou, Jin-Mei; Ye, Long-Wu","Synthesis of functionalized 3-isochromanones via metal-free intramolecular alkoxylation-initiated cascade cyclization","Green Chemistry","2019","21","11","3023","","10.1039/C9GC01030K","","","1.54184","CuKα","","0.0313","0.0308","","","0.0776","0.0782","","","","","","1.079","","","","has coordinates","224634","2020-10-21","18:00:00",""
"7232703","14.5721","0.0008","9.2987","0.0006","15.8007","0.001","90","","90.331","0.006","90","","2141","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H10 Cl3 F20 N5 O4 -","- C46 H10 Cl3 F20 N5 O4 -","- C92 H20 Cl6 F40 N10 O8 -","2","1","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","","0.71073","MoKα","","0.1115","0.0689","","","0.1585","0.1753","","","","","","1.03","","","","has coordinates","214895","2020-10-21","18:00:00",""
"7232705","33.9547","0.0016","8.7071","0.0003","58.8064","0.0013","90","","93.851","0.003","90","","17346.7","1.1","100","0.13","100","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H7 F20 N5 O6 -","- C45 H7 F20 N5 O6 -","- C720 H112 F320 N80 O96 -","16","8","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","x-ray","0.71073","MoKα","","0.2369","0.1453","","","0.3039","0.3615","","","","","","1.09","","","","has coordinates,has disorder","214895","2020-10-21","18:00:00",""
"7232727","4.799","0.0017","16.672","0.006","12.4","0.004","90","","89.94","0.002","90","","992.1","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N6 O2 -","- C19 H22 N6 O2 -","- C38 H44 N12 O4 -","2","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.1276","0.0876","","","0.2112","0.2319","","","","","","1.023","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7232747","4.62","0.009","12.52","0.02","6.037","0.014","90","","92.54","0.04","90","","348.9","1.2","298","2","298","2","","","22.31","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0917","0.0785","","","0.1805","0.196","","","","","","1.148","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232749","4.735","0.005","12.823","0.013","6.275","0.008","90","","91.14","0.03","90","","380.9","0.7","298","2","298","2","","","18.2","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0782","","","0.1806","0.1918","","","","","","1.049","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232750","4.679","0.006","12.659","0.013","6.143","0.009","90","","91.42","0.03","90","","363.7","0.8","298","2","298","2","","","20.62","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1445","0.1115","","","0.273","0.2952","","","","","","1.18","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232788","8.8518","0.0002","15.3215","0.0003","10.3543","0.0003","90","","113.274","0.001","90","","1290.01","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","2","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0229","0.0221","","","0.0558","0.0565","","","","","","1.055","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232790","10.8013","0.0002","15.1552","0.0003","12.7524","0.0003","90","","94.871","0.001","90","","2079.98","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C90 H66 I6 N12 O6 -","6","3","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0188","0.0181","","","0.0369","0.0373","","","","","","1.074","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232801","5.2919","0.0011","28.317","0.006","8.7074","0.0019","90","","103.268","0.004","90","","1270","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","2","","Chen, Ziyi; Yin, Xuguang; Dong, Xiu-Qin; Zhang, Xumu","Efficient access to chiral dihydrobenzoxazinones via Rh-catalyzed hydrogenation","RSC Advances","2019","9","27","15466","","10.1039/C9RA02694K","","","0.71073","MoKα","","0.0834","0.0444","","","0.0835","0.0992","","","","","","1.019","","","","has coordinates,has disorder","215242","2020-10-21","18:00:00",""
"7232851","3.8827","0.0005","24.756","0.002","17.742","0.002","90","","91.789","0.014","90","","1704.5","0.3","294","2","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","CmmBr","3-Bromophenyl-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C72 H54 Br6 N12 O12 -","6","3","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.2284","0.0517","","","0.0745","0.0958","","","","","","0.63","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232894","5.6594","0.0005","7.2685","0.0007","17.267","0.002","90","","94.508","0.009","90","","708.09","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","0.71073","MoKα","","0.0614","0.0518","","","0.1148","0.1213","","","","","","1.06","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232912","12.1916","0.0006","5.5082","0.0003","12.39","0.0006","90","","102.989","0.007","90","","810.75","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C36 H32 Cl2 N6 O2 -","2","1","","Liu, Shiyao; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Copper-catalysed enantioselective intramolecular etherification of propargylic esters: synthetic approach to chiral isochromans","RSC Advances","2019","9","33","18918","","10.1039/C9RA03880A","","","0.71075","MoKα","","0.0542","0.0485","","","0.0941","0.0965","","","","","","1","","","","has coordinates","216048","2020-10-21","18:00:00",""
"7232928","5.698","0.003","7.632","0.004","7.25","0.004","90","","104.92","0.007","90","","304.7","0.3","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","Histamine Free base","","- C5 H13 N3 -","- C5 H9 N3 -","- C10 H18 N6 -","2","1","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.0412","","","","0.0591","","","","","","1.178","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232929","4.449","0.006","12.694","0.016","7.577","0.009","90","","91.45","0.03","90","","427.8","0.9","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","Histamine dication form","","- C5 H13 Cl2 N3 O2 -","- C5 H11 Cl2 N3 -","- C10 H22 Cl4 N6 -","2","1","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.085","","","","0.1397","","","","","","1.142","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7233001","3.9198","0.0002","25.3323","0.0011","7.1542","0.0003","90","","97.305","0.005","90","","704.63","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C38 H30 N2 O4 -","2","1","","Liang, Yaofeng; Teng, Lili; Wang, Yajun; He, Qiuxing; Cao, Hua","A visible-light-induced intermolecular [3 + 2] alkenylation‒cyclization strategy: metal-free construction of pyrrolo[2,1,5-cd]indolizine rings","Green Chemistry","2019","21","15","4025","","10.1039/C9GC01766F","","x-ray","1.54184","CuKα","","0.0385","0.0367","","","0.0949","0.0966","","","","","","1.067","","","","has coordinates","224627","2020-10-21","18:00:00",""
"7233077","6.88","0.003","10.87","0.005","26.448","0.012","90","","93.084","0.009","90","","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H23 B F2 N2 Si -","- C20 H23 B F2 N2 Si -","- C80 H92 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1964","0.1176","","","0.267","0.311","","","","","","1.036","","","","has coordinates","216975","2020-10-21","18:00:00",""
"7233173","13.127","0.0002","7.9802","0.0001","13.2754","0.0002","90","","116.561","0.002","90","","1243.91","0.04","149.94","0.1","149.94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","lonimacranaldes A","","- C24 H36 O11 -","- C24 H36 O11 -","- C48 H72 O22 -","2","1","","Mei, Yu-Dan; Li, Hai-Bo; Pang, Qian-Qian; Li, Ting; Pan, Da-Bo; Dai, Yi; Qin, Da-Peng; Meng, He; Yao, Xin-Sheng; Yu, Yang","Lonimacranaldes A‒C, three iridoids with novel skeletons from Lonicera macranthoides","RSC Advances","2019","9","38","22011","","10.1039/C9RA04029C","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0889","0.0899","","","","","","1.042","","","","has coordinates","217101","2020-10-21","18:00:00",""
"7233218","12.5806","0.0012","4.8247","0.0005","13.7178","0.0013","90","","96.563","0.002","90","","827.18","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C40 H16 N4 S8 -","2","1","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.71073","MoKα","","0.0533","0.0502","","","0.134","0.137","","","","","","1.175","","","","has coordinates","217170","2020-10-21","18:00:00",""
"7233240","9.2536","0.0005","7.6512","0.0003","12.6769","0.0007","90","","108.093","0.002","90","","853.16","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0539","0.0451","","","0.0756","0.0773","","","","","","1.719","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233241","9.2808","0.0005","7.6511","0.0003","12.6946","0.0006","90","","108.142","0.002","90","","856.61","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0448","0.0385","","","0.1128","0.1167","","","","","","1.029","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233264","9.7633","0.0004","19.5696","0.0008","10.411","0.0005","90","","109.168","0.008","90","","1878.89","0.17","90","2","89.95","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V)","","- C28 H45 Er N13 O5 W -","- C28 H45 Er N13 O5 W -","- C56 H90 Er2 N26 O10 W2 -","2","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.037","0.0338","","","0.0529","0.0536","","","","","","1.101","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233297","12.4174","0.0002","18.7937","0.0004","18.6491","0.0004","90","","90.148","0.003","90","","4352.11","0.15","295","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C92 H96 N24 -","- C92 H96 N24 -","- C184 H192 N48 -","2","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.0945","0.0634","","","0.1875","0.2027","","","","","","0.963","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233317","10.6198","0.0007","21.4213","0.0014","15.6347","0.0012","90","","94.833","0.006","90","","3544.1","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H82 Cu4 N6 O21 -","- C71 H82 Cu4 N6 O21 -","- C142 H164 Cu8 N12 O42 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Zarschler, Kristof; Stephan, Holger; Anson, Christopher E.; Powell, Annie K.","Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity","RSC Advances","2019","9","42","24087","","10.1039/C9RA03586A","","","0.71069","MoKα","","0.0648","0.038","","","0.0829","0.0936","","","","","","0.938","","","","has coordinates,has disorder","217378","2020-10-21","18:00:00",""
"7233318","10.583","","21.529","","15.571","","90","","94.7","","90","","3535.79","","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70.7 H80.8 Cu4 N6 O21 -","- C70.7 H80.8 Cu4 N6 O21 -","- C141.4 H161.6 Cu8 N12 O42 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Zarschler, Kristof; Stephan, Holger; Anson, Christopher E.; Powell, Annie K.","Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity","RSC Advances","2019","9","42","24087","","10.1039/C9RA03586A","","","0.71359","","","0.0624","0.0431","","","0.1067","0.12","","","","","","0.977","","","","has coordinates,has disorder","217378","2020-10-21","18:00:00",""
"7233408","12.5556","0.0011","10.9547","0.0012","26.244","0.003","90","","91.529","0.009","90","","3608.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O -","- C18 H12 O -","- C216 H144 O12 -","12","6","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.2173","0.1143","","","0.2825","0.386","","","","","","0.987","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233530","7.792","0.0007","14.2386","0.0013","7.9049","0.0007","90","","94.487","0.001","90","","874.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H32 N4 O6 -","- C12 H32 N4 O6 -","- C24 H64 N8 O12 -","2","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0365","0.0317","","","0.0823","0.0858","","","","","","0.968","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233603","11.401","0.002","8.9944","0.0018","13.989","0.003","90","","113.59","0.03","90","","1314.6","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C68 H40 S8 -","2","1","","Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu","Rubrene analogues with the aggregation-induced emission enhancement behaviour","Journal of Materials Chemistry C","2014","2","","884","890","10.1039/C3TC31794C","","","0.71073","MoKα","","0.0449","0.043","","","0.1025","0.1041","","","","","","1.045","","","","has coordinates,has disorder","217911","2020-10-21","18:00:00",""
"7233642","6.4274","0.0013","8.3282","0.0017","9.4891","0.0019","90","","101.19","0.03","90","","498.28","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 F2 O11 Pb3 -","- B6 F2 O11 Pb3 -","- B12 F4 O22 Pb6 -","2","1","","Hongyi Li; Hongping Wu; Xin Su; Hongwei Yu; Shilie Pan; Zhihua Yang; Yi Lu; Jian Han; Kenneth R. Poeppelmeier","Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response","Journal of Materials Chemistry C","2014","2","","1704","1710","10.1039/C3TC32002B","","","0.71073","MoKα","","0.0439","0.0436","","","0.0927","0.093","","","","","","1.068","","","","has coordinates","217971","2020-10-21","18:00:00",""
"7233710","11.518","0.0006","6.0678","0.0003","20.8427","0.001","90","","93.276","0.003","90","","1454.29","0.13","253","2","253","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H26 S2 -","- C38 H26 S2 -","- C76 H52 S4 -","2","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1057","0.0704","","","0.1454","0.1679","","","","","","1.055","","","","has coordinates,has disorder","218090","2020-10-21","18:00:00",""
"7233720","12.5655","0.0005","8.9233","0.0003","14.0093","0.0005","90","","114.622","0.004","90","","1427.98","0.1","143","","143","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H35 N -","- C38 H35 N -","- C76 H70 N2 -","2","1","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","x-ray","1.5418","CuKα","","0.0547","0.0523","","","0.1404","0.143","","","","","","1.054","","","","has coordinates,has disorder","218100","2020-10-21","18:00:00",""
"7233733","13.338","0.011","9.59","0.008","13.46","0.011","90","","95.853","0.009","90","","1713","2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H29 F4 Ir N4 O2 -","- C41 H29 F4 Ir N4 O2 -","- C82 H58 F8 Ir2 N8 O4 -","2","1","","Enrico Marchi; Mirko Locritani; Massimo Baroncini; Giacomo Bergamini; Riccardo Sinisi; Magda Monari; Chiara Botta; Wojciech Mroz; Marco Bandini; Paola Ceroni; Vincenzo Balzani","Blue and highly emitting [Ir(IV)] complexes by an efficient photoreaction of yellow luminescent [Ir(III)] complexes","Journal of Materials Chemistry C","2014","2","","4461","4467","10.1039/C4TC00278D","","","0.71073","MoKα","","0.1142","0.0908","","","0.2074","0.2193","","","","","","1.174","","","","has coordinates","218121","2020-10-21","18:00:00",""
"7233738","11.459","0.002","5.9687","0.001","20.744","0.004","90","","93.659","0.003","90","","1415.9","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H26 S2 -","- C38 H26 S2 -","- C76 H52 S4 -","2","1","","Xiaotao Zhang; Xiuqiang Lu; Yonggang Zhen; Jie Liu; Huanli Dong; Guangyao Zhao; Ping He; Zongrui Wang; Lang Jiang; Wenping Hu","Synthesis and aggregation-induced emissions of thienyl substituted cyclobutene derivatives","Journal of Materials Chemistry C","2014","2","","5083","5086","10.1039/C4TC00221K","","","0.71073","MoKα","","0.0588","0.0563","","","0.146","0.149","","","","","","1.053","","","","has coordinates,has disorder","218126","2020-10-21","18:00:00",""
"7233763","14.5493","0.0003","11.93948","0.00014","14.1517","0.0003","90","","93.6939","0.0005","90","","2453.2","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C64 H40 Cu4 N16 O20 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","powder diffraction","","1.5406","","","","","","","","","","","5.08","","","","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233852","8.471","0.005","9.05","0.005","22.523","0.005","90","","93.286","0.005","90","","1723.8","1.4","323","2","323","2","","","","","","","","4","P 1 21 1","P 2yb","4","[C12C12triaz] I3","1-dodecyl-3-dodecyltriazolium triiodide","","- C26 H52 I3 N3 -","- C26 H52 I3 N3 -","- C52 H104 I6 N6 -","2","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.1179","0.039","","","0.105","0.1276","","","","","","0.685","","","","has coordinates","218298","2020-10-21","18:00:00",""
"7233983","19.551","0.001","24.348","0.002","19.579","0.001","90","","98.16","0.02","90","","9225.8","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H84 N8 O30 Zr6 -","- C104 H84 N8 O30 Zr6 -","- C208 H168 N16 O60 Zr12 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.3108","0.1472","","","0.3325","0.4094","","","","","","1.077","","","","has coordinates","223559","2020-10-21","18:00:00",""
"7234045","15.9296","0.0017","8.569","0.0009","12.7261","0.0014","90","","111.355","0.001","90","","1617.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0641","0.0356","","","0.0618","0.074","","","","","","1.061","","","","has coordinates","218700","2020-10-21","18:00:00",""
"7234046","15.938","0.0018","8.5815","0.001","12.7618","0.0015","90","","111.243","0.001","90","","1626.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0723","0.0369","","","0.0659","0.0804","","","","","","1.013","","","","has coordinates","218701","2020-10-21","18:00:00",""
"7234047","15.947","0.002","8.5931","0.0011","12.7978","0.0017","90","","111.133","0.002","90","","1635.8","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0837","0.0386","","","0.0649","0.0808","","","","","","1.015","","","","has coordinates","218702","2020-10-21","18:00:00",""
"7234048","15.964","0.002","8.608","0.0011","12.8406","0.0017","90","","111.006","0.002","90","","1647.3","0.4","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0967","0.0415","","","0.0749","0.0962","","","","","","1.025","","","","has coordinates","218703","2020-10-21","18:00:00",""
"7234049","15.975","0.003","8.6198","0.0015","12.885","0.002","90","","110.882","0.002","90","","1657.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.1008","0.0429","","","0.0746","0.0927","","","","","","0.973","","","","has coordinates","218704","2020-10-21","18:00:00",""
"7234050","16.3427","0.001","8.3968","0.0005","12.8302","0.0008","90","","111.229","0.001","90","","1641.17","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0239","0.0223","","","0.064","0.0645","","","","","","1.099","","","","has coordinates","218705","2020-10-21","18:00:00",""
"7234051","16.3129","0.0011","8.4112","0.0006","12.9105","0.0009","90","","111.028","0.001","90","","1653.5","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0329","0.0302","","","0.0787","0.0872","","","","","","1.117","","","","has coordinates,has disorder","218706","2020-10-21","18:00:00",""
"7234052","16.2671","0.0011","8.421","0.0005","13.0072","0.0008","90","","110.715","0.001","90","","1666.6","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0329","0.0289","","","0.0697","0.0787","","","","","","1.136","","","","has coordinates,has disorder","218707","2020-10-21","18:00:00",""
"7234053","16.2426","0.001","8.4301","0.0005","13.0764","0.0008","90","","110.455","0.001","90","","1677.61","0.18","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0398","0.0338","","","0.0798","0.089","","","","","","1.119","","","","has coordinates,has disorder","218708","2020-10-21","18:00:00",""
"7234054","16.2397","0.0012","8.4425","0.0006","13.1293","0.0009","90","","110.276","0.001","90","","1688.5","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0506","0.0423","","","0.1062","0.1105","","","","","","1.061","","","","has coordinates,has disorder","218709","2020-10-21","18:00:00",""
"7234070","15.9984","0.0012","8.5499","0.0006","12.4594","0.0009","90","","109.846","0.001","90","","1603","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0198","0.0197","","","0.0478","0.0479","","","","","","1.13","","","","has coordinates","218725","2020-10-21","18:00:00",""
"7234071","16.0164","0.0011","8.5758","0.0006","12.4828","0.0009","90","","109.747","0.001","90","","1613.7","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0182","0.018","","","0.0457","0.0459","","","","","","1.118","","","","has coordinates","218726","2020-10-21","18:00:00",""
"7234072","16.0283","0.0011","8.5985","0.0006","12.5042","0.0008","90","","109.62","0.001","90","","1623.27","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0177","0.0173","","","0.0445","0.0447","","","","","","1.105","","","","has coordinates","218727","2020-10-21","18:00:00",""
"7234073","16.0442","0.001","8.6241","0.0006","12.5341","0.0008","90","","109.452","0.001","90","","1635.31","0.19","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0183","0.0175","","","0.0453","0.0457","","","","","","1.074","","","","has coordinates","218728","2020-10-21","18:00:00",""
"7234074","16.0579","0.0012","8.6445","0.0006","12.5766","0.0009","90","","109.254","0.001","90","","1648.1","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0215","0.0203","","","0.052","0.0528","","","","","","1.034","","","","has coordinates","218729","2020-10-21","18:00:00",""
"7234161","10.3313","0.0002","10.2519","0.0002","26.4465","0.0006","90","","98.891","0.002","90","","2767.44","0.1","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N O8 -","- C28 H33 N O8 -","- C112 H132 N4 O32 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0714","0.0691","","","0.2011","0.2038","","","","","","1.021","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234162","8.41466","0.00006","22.4287","0.00013","11.3844","0.00009","90","","107.707","0.0008","90","","2046.79","0.03","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C72 H114 N6 O30 -","6","3","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54184","CuKα","","0.0273","0.0272","","","0.0749","0.0749","","","","","","1.024","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234176","8.6242","0.0002","13.3809","0.0003","11.9133","0.0003","90","","108.743","0.001","90","","1301.88","0.05","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H28 N4 S -","- C32 H28 N4 S -","- C64 H56 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0364","0.0317","","","0.0796","0.0821","","","","","","1.037","","","","has coordinates","218864","2020-10-21","18:00:00",""
"7234211","7.6699","0.0002","13.2183","0.0003","10.0377","0.0002","90","","92.579","0.002","90","","1016.62","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Mo N4 O10 -","- C16 H20 Mo N4 O10 -","- C32 H40 Mo2 N8 O20 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0507","","","","","","1.084","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234212","7.234","0.0003","13.889","0.0006","10.451","0.0005","90","","100.841","0.004","90","","1031.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Mo N3 O10 S -","- C16 H19 Mo N3 O10 S -","- C32 H38 Mo2 N6 O20 S2 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0212","0.0207","","","0.0508","0.0511","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234256","9.8354","0.0002","9.6965","0.0003","34.4455","0.0009","90","","90.286","0.002","90","","3284.99","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C85 H76 Cl2 O2 -","- C85 H76 Cl2 O2 -","- C170 H152 Cl4 O4 -","2","1","","Haoke Zhang; Hongkun Li; Jia Wang; Jingzhi Sun; Anjun Qin; Ben Zhong Tang","Axial chiral aggregation-induced emission luminogens with aggregation-annihilated circular dichroism effect","Journal of Materials Chemistry C","2015","3","","5162","5166","10.1039/C5TC00629E","","x-ray","1.5418","CuKα","","0.0755","0.0648","","","0.1627","0.1718","","","","","","1.003","","","","has coordinates","218954","2020-10-21","18:00:00",""
"7234289","10.5974","0.0004","7.5438","0.0003","17.0328","0.0007","90","","106.225","0.004","90","","1307.45","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H24 N2 S2 -","- C36 H24 N2 S2 -","- C72 H48 N4 S4 -","2","1","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0454","0.0418","","","0.115","0.117","","","","","","1.06","","","","has coordinates,has disorder","219006","2020-10-21","18:00:00",""
"7234292","7.341","0.004","30.358","0.014","16.214","0.009","90","","97.409","0.011","90","","3583","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H76 N6 O -","- C94 H76 N6 O -","- C188 H152 N12 O2 -","2","1","","D. Kaleeswaran; Pratap Vishnoi; Ramaswamy Murugavel","[3+3] Imine and beta-ketoenamine tethered fluorescent covalent-organic frameworks for CO2 uptake and nitroaromatic sensing","Journal of Materials Chemistry C","2015","3","","7159","7171","10.1039/C5TC00670H","","","1.5419","CuKα","","0.1005","0.071","","","0.1614","0.1891","","","","","","1.11","","","","has coordinates","219009","2020-10-21","18:00:00",""
"7234363","7.5267","0.0006","9.8209","0.0007","18.1895","0.0014","90","","90.747","0.003","90","","1344.43","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","2","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0607","0.0412","","","0.1089","0.1225","","","","","","0.883","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234383","15.606","0.003","7.2187","0.0014","25.57","0.006","90","","107.761","0.003","90","","2743.3","1","340","","340","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0466","","","","0.1365","","","","","","1.069","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234384","15.588","0.003","7.1986","0.0012","25.549","0.005","90","","107.737","0.002","90","","2730.6","0.9","320","","320","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0417","","","","0.1179","","","","","","1.046","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234385","15.576","0.003","7.1808","0.0011","25.536","0.004","90","","107.707","0.0019","90","","2720.8","0.8","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0505","","","","0.1383","","","","","","1.066","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234386","15.563","0.003","7.1651","0.0011","25.523","0.004","90","","107.672","0.0018","90","","2711.8","0.8","280","","280","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0604","","","","0.1716","","","","","","1.102","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234387","15.558","0.002","7.1462","0.0009","25.511","0.004","90","","107.67","0.002","90","","2702.5","0.6","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.067","","","","0.1939","","","","","","1.093","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234388","15.537","0.002","7.1191","0.0008","25.488","0.004","90","","107.686","0.0018","90","","2686","0.6","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0747","","","","0.2038","","","","","","1.119","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234389","15.519","0.002","7.0945","0.0009","25.462","0.003","90","","107.683","0.0013","90","","2670.9","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0762","","","","0.2199","","","","","","1.12","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234396","12.3302","0.0014","7.9001","0.0009","18.63","0.002","90","","96.052","0.007","90","","1804.6","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br3 N O -","- C19 H12 Br3 N O -","- C76 H48 Br12 N4 O4 -","4","2","","Wada, Yuuki; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Enantioselective bromination of axially chiral cyanoarenes in the presence of bifunctional organocatalysts","RSC Advances","2019","9","54","31654","","10.1039/C9RA05532K","","","0.71075","MoKα","","","0.0552","","","","0.1047","","","","","","1.007","","","","has coordinates","219106","2020-10-21","18:00:00",""
"7234475","9.831","0.005","9.58","0.004","10.09","0.003","90","","105.875","0.019","90","","914","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 S2 -","- C22 H16 S2 -","- C44 H32 S4 -","2","1","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1483","0.1002","","","0.2058","0.2281","","","","","","1.07","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234484","8.2025","0.0016","6.0189","0.0012","15.347","0.003","90","","90.94","0.03","90","","757.6","0.3","173.15","","173.15","","","","","","","","","2","P 1 21 1","P 2yb","4","NaAnt","2-(2-naphthyl) anthracene","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","1","","Jie Li; Jie Liu; Yonggang Zhen; Lingqiang Meng; Ying Wang; Huanli Dong; Wenping Hu","Naphthyl substituted anthracene combining charge transport with light emission","Journal of Materials Chemistry C","2015","3","","10695","10698","10.1039/C5TC02254A","","","0.71073","MoKα","","0.0796","0.0717","","","0.167","0.1725","","","","","","1.12","","","","has coordinates,has disorder","219191","2020-10-21","18:00:00",""
"7234517","10.202","0.005","18.97","0.007","13.263","0.005","90","","98.31","0.015","90","","2539.9","1.8","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","2","","Yi Wang; Ivan Zhang; Binhong Yu; Xiaofeng Fang; Xing Su; Yu-Mo Zhang; Ting Zhang; Bing Yang; Minjie Li; Sean Xiao-An Zhang","Full-color tunable mechanofluorochromism and excitation-dependent emissions of single-arm extended tetraphenylethylenes","Journal of Materials Chemistry C","2015","3","","12328","12334","10.1039/C5TC02623G","","","0.71073","MoKα","","0.084","0.0539","","","0.1241","0.1391","","","","","","1.018","","","","has coordinates","219244","2020-10-21","18:00:00",""
"7234519","9.9658","0.0005","10.8639","0.0005","10.6141","0.0005","90","","102.33","0.005","90","","1122.65","0.1","173","0.14","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 F2 O2 -","- C28 H22 F2 O2 -","- C56 H44 F4 O4 -","2","1","","Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization","Journal of Materials Chemistry C","2016","4","","99","107","10.1039/C5TC02924D","","x-ray","0.7107","MoKα","","0.0716","0.0557","","","0.0975","0.1038","","","","","","1.003","","","","has coordinates","219245","2020-10-21","18:00:00",""
"7234645","9.7959","0.0012","9.9417","0.0012","17.678","0.002","90","","94.478","0.001","90","","1716.4","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","2","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0788","0.0489","","","0.0982","0.1096","","","","","","1.01","","","","has coordinates","219367","2020-10-21","18:00:00",""
"7234647","6.978","0.0006","14.762","0.0013","12.3395","0.001","90","","100.14","0.003","90","","1251.23","0.18","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0322","0.0303","","","0.0734","0.0749","","","","","","1.066","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234684","9.686","0.003","10.175","0.003","16.709","0.006","90","","102.177","0.005","90","","1609.7","0.9","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-p-Methoxyphenyl HPIP","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","2","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","0.71075","MoKα","","0.0623","0.0419","","","0.078","0.0862","","","","","","0.917","","","","has coordinates","219398","2020-10-21","18:00:00",""
"7234734","8.288","0.002","11.555","0.003","11.805","0.003","90","","91.113","0.006","90","","1130.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","CL-20-HTFAZ","","","- C12 H7 N19 O15 -","- C12 H7 N19 O15 -","- C24 H14 N38 O30 -","2","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Zhang, Qian; Xu, Minghui; Mo, Hongchang; Wang, Bozhou","Preparation of CL-20/TFAZ cocrystals under aqueous condition: balancing high performance and low sensitivity","CrystEngComm","2019","","","","","10.1039/C9CE01221D","","","0.71073","MoKα","","0.1199","0.0566","","","0.0787","0.0993","","","","","","0.985","","","","has coordinates","219433","2020-10-21","18:00:00",""
"7234738","18.1605","0.0007","7.4488","0.0003","26.122","0.001","90","","97.314","0.001","90","","3504.9","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H126 O17 -","- C72 H126 O17 -","- C144 H252 O34 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0465","0.0444","","","0.1184","0.1204","","","","","","1.034","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234739","11.7747","0.0001","12.4564","0.0001","14.179","0.0001","90","","98","","90","","2059.4","0.03","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H76 O11 -","- C40 H76 O11 -","- C80 H152 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0378","0.0377","","","0.0996","0.0997","","","","","","1.042","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234740","11.5408","0.0018","12.3313","0.0017","14.1447","0.0019","90","","95.908","0.007","90","","2002.3","0.5","170.21","","170.21","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H74 O11 -","- C39 H74 O11 -","- C78 H148 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0517","0.043","","","0.0905","0.0952","","","","","","1.072","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234741","11.4907","0.0006","12.3599","0.0006","14.0787","0.0008","90","","96.646","0.003","90","","1986.08","0.18","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H71 O11 -","- C38 H72 O11 -","- C76 H144 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0385","0.0351","","","0.0783","0.0808","","","","","","1.047","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234742","15.856","0.003","7.5818","0.0015","16.567","0.003","90","","117.95","0.03","90","","1759.3","0.8","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H64 O9 -","- C36 H64 O9 -","- C72 H128 O18 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0384","0.0338","","","0.0841","0.0877","","","","","","1.016","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234743","15.9962","0.0001","11.9543","0.0001","20.14","0.0002","90","","101.98","","90","","3767.36","0.05","170.15","","170.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H132 O20 -","- C72 H124 O19.5 -","- C144 H248 O39 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.047","0.045","","","0.1249","0.1275","","","","","","1.029","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234744","16.2329","0.0019","11.8682","0.0012","20.21","0.003","90","","103.607","0.007","90","","3784.3","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H68 O9 -","- C38 H68 O9 -","- C152 H272 O36 -","4","2","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0574","0.0487","","","0.1211","0.1293","","","","","","1.051","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234755","6.8897","0.0003","14.6971","0.0006","12.2755","0.0005","90","","103.491","0.003","90","","1208.7","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C54 H50 Cl2 N2 O6 P2 -","2","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0777","0.0479","","","0.1086","0.1254","","","","","","1.011","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234822","16.505","0.003","16.849","0.003","23.262","0.005","90","","95.08","0.03","90","","6444","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C134 H73 B2 F48 Ir2 N10 O2 -","- C134 H73 B2 F48 Ir2 N10 O2 -","- C268 H146 B4 F96 Ir4 N20 O4 -","2","1","","Dongxin Ma; Lian Duan; Yong Qiu","Orange-red- and white-emitting diodes fabricated by vacuum evaporation deposition of sublimable cationic iridium complexes","Journal of Materials Chemistry C","2016","4","","5051","5058","10.1039/C6TC00738D","","","0.71073","MoKα","","0.0519","0.0629","","","0.1059","0.1268","","","","","","1.067","","","","has coordinates","220358","2020-10-21","18:00:00",""
"7234917","6.9923","0.0005","14.3694","0.001","12.7878","0.0009","90","","101.514","0.002","90","","1259","0.15","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0377","0.0368","","","0.0973","0.0979","","","","","","1.074","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234935","8.324","0.0004","16.4369","0.0006","9.5423","0.0004","90","","98.004","0.004","90","","1292.87","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 I5 N O2 -","- C19 H28 I5 N O2 -","- C38 H56 I10 N2 O4 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0332","0.0314","","","0.069","0.07","","","","","","1.064","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234992","8.6879","0.0003","15.9969","0.0006","11.3681","0.0004","90","","102.318","0.001","90","","1543.56","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 K2 O2 S4 -","- C30 H34 K2 O2 S4 -","- C60 H68 K4 O4 S8 -","2","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0308","0.027","","","0.0597","0.0615","","","","","","1.031","","","","has coordinates,has disorder","223459","2020-10-21","18:00:00",""
"7235004","11.53","0.003","16.862","0.004","25.697","0.006","90","","98.067","0.004","90","","4947","2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)ethyl-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranoside","","- C44 H59 N9 O10 Si -","- C44 H59 N9 O10 Si -","- C176 H236 N36 O40 Si4 -","4","2","","Mukherjee, Mana Mohan; Xu, Peng; Stevens, Edwin D.; Kováč, Pavol","Towards the complete synthetic O-antigen of Vibrio cholerae O1, serotype inaba: improved synthesis of the conjugation-ready upstream terminal hexasaccharide determinant","RSC Advances","2019","9","62","36440","","10.1039/C9RA08232H","","","0.71073","MoKα","","0.0691","0.0445","","","0.1034","0.1171","","","","","","1.038","","","","has coordinates","225412","2020-10-21","18:00:00",""
"7235023","27.6628","0.0014","7.4916","0.0005","29.4231","0.0018","90","","101.819","0.002","90","","5968.3","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C200 H320 Cl40 Cu10 N20 -","10","5","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0862","0.0632","","","0.1546","0.1746","","","","","","0.985","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235049","6.4948","0.0002","7.4524","0.0003","15.2812","0.0006","90","","101.004","0.001","90","","726.04","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Zhao, Zhen-Zhu; Liang, Xu-Bo; Feng, Wei-Sheng; Wu, Ya; Zhi, Yan-Le; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Unusual constituents from the medicinal mushroom Ganoderma lingzhi","RSC Advances","2019","9","63","36931","","10.1039/C9RA08566A","","","1.54178","CuKα","","0.0327","0.0327","","","0.0844","0.0845","","","","","","1.056","","","","has coordinates","227757","2020-10-21","18:00:00",""
"7235059","12.39","0.003","5.9175","0.0012","23.356","0.005","90","","95.62","0.03","90","","1704.2","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C47 H32 N2 -","- C47 H32 N2 -","- C94 H64 N4 -","2","1","","Chenglong Li; Jinbei Wei; Jianxiong Han; Zhiqiang Li; Xiaoxian Song; Zuolun Zhang; Jingying Zhang; Yue Wang","Efficient deep-blue OLEDs based on phenanthro[9,10-d]imidazole-containing emitters with AIE and bipolar transporting properties","Journal of Materials Chemistry C","2016","4","","10120","10129","10.1039/C6TC03923E","","","0.71073","MoKα","","0.1367","0.0699","","","0.1546","0.1839","","","","","","1.003","","","","has coordinates","227769","2020-10-21","18:00:00",""
"7235071","11.8073","0.0017","5.8122","0.0008","13.3488","0.0019","90","","97.844","0.002","90","","907.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N3 O4 -","- C18 H18 F3 N3 O4 -","- C36 H36 F6 N6 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0568","0.0514","","","0.1364","0.1409","","","","","","1.062","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235072","9.2716","0.0009","5.2277","0.0005","20.3473","0.0019","90","","102.235","0.001","90","","963.82","0.16","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl2 N2 O4 -","- C19 H20 Cl2 N2 O4 -","- C38 H40 Cl4 N4 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0307","0.0278","","","0.065","0.0667","","","","","","1.045","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235093","12.9532","0.0004","5.76337","0.00015","25.2764","0.0006","90","","93.984","0.003","90","","1882.43","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 RS-naproxen D-proline cocrystal methanol solvate","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid; bis((2R)-pyrrolidine-2-carboxylic acid); (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; methanol","","- C39 H50 N2 O11 -","- C39 H50 N2 O11 -","- C78 H100 N4 O22 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0593","0.0514","","","0.1428","0.1532","","","","","","1.04","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235095","8.84337","0.00019","5.8351","0.00015","33.6766","0.0007","90","","91.9839","0.0019","90","","1736.74","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen DL-proline 1:1 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) 2R)-pyrrolidin-1-ium-2-carboxylate 2S)-pyrrolidin-1-ium-2-carboxylate","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.052","0.0474","","","0.127","0.1336","","","","","","1.035","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235100","16.2991","0.0007","5.8654","0.0003","18.6876","0.0009","90","","100.052","0.004","90","","1759.12","0.15","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen L-proline 1:1 cocrystal, polymorph II","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.776188","synchrotron","","","","","","","","","16.66","22.3","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235102","12.1578","0.0005","5.8278","0.0002","25.6828","0.0014","90","","98.762","0.005","90","","1798.47","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen D-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph I","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0756","0.064","","","0.1847","0.1964","","","","","","1.058","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235104","12.705","0.002","5.7631","0.0008","25","0.005","90","","95.041","0.011","90","","1823.4","0.5","402","","402","","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen L-proline 1:1 cocrystal, polymorph III","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","7.117","62.48","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235142","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O149.5 S16 -","- C313 H317 N24 O149.5 S16 -","- C1252 H1268 N96 O598 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.2282","0.1837","","","0.4178","0.4651","","","","","","1.627","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235143","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O77 S16 -","- C313 H317 N24 O77 S16 -","- C1252 H1268 N96 O308 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.1191","0.0831","","","0.2284","0.2815","","","","","","0.94","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235217","13.2045","0.0002","9.7903","0.0002","14.8676","0.0002","90","","93.816","0.002","90","","1917.76","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N5 O2 -","- C18 H22 Cl N5 O2 -","- C72 H88 Cl4 N20 O8 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0545","0.0529","","","0.1445","0.1457","","","","","","1.072","","","","has coordinates","231075","2020-10-21","18:00:00",""
"7235218","12.7568","0.0004","9.7768","0.0003","15.1645","0.0004","90","","109.622","0.003","90","","1781.49","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Br N5 O -","- C17 H20 Br N5 O -","- C68 H80 Br4 N20 O4 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0399","0.0367","","","0.0929","0.0959","","","","","","1.025","","","","has coordinates","231075","2020-10-21","18:00:00",""
"7235219","12.6684","0.0002","9.8123","0.0001","15.078","0.0002","90","","109.802","0.001","90","","1763.46","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N5 O -","- C17 H20 Cl N5 O -","- C68 H80 Cl4 N20 O4 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0311","0.0293","","","0.0719","0.0731","","","","","","1.067","","","","has coordinates","231075","2020-10-21","18:00:00",""
"7235261","7.908","0.004","26.302","0.014","9.794","0.005","90","","90.686","0.007","90","","2037","1.8","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H14 Cl2 N6 Pd S2 -","- C16 H14 Cl2 N6 Pd S2 -","- C64 H56 Cl8 N24 Pd4 S8 -","4","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.1289","0.1218","","","0.307","0.3127","","","","","","1.973","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235291","10.115","0.002","8.791","0.0018","15.671","0.003","90","","103.74","0.03","90","","1353.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O7 -","- C29 H37 N O7 -","- C58 H74 N2 O14 -","2","1","","Liu, Zhuyun; Law, Wai-Kit; Wang, Decai; Nie, Xin; Sheng, Dekuan; Song, Genrui; Guo, Kai; Wei, Ping; Ouyang, Pingkai; Wong, Chi-Wai; Zhou, Guo-Chun","Synthesis and discovery of andrographolide derivatives as non-steroidal farnesoid X receptor (FXR) antagonists","RSC Adv.","2014","4","26","13533","","10.1039/C3RA46715E","","","0.71073","MoKα","","0.133","0.0686","","","0.1442","0.1788","","","","","","1.017","","","","has coordinates","232664","2020-10-21","18:00:00",""
"7235297","10.109","0.003","20.659","0.005","14.446","0.004","90","","90.842","0.006","90","","3016.6","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl N2 O6 P -","- C30 H34 Cl N2 O6 P -","- C120 H136 Cl4 N8 O24 P4 -","4","2","","Xie, Xiaohua; Jing, Linhai; Qin, Dabin; He, Wujun; Wu, Song; Jin, Lunqiang; Luo, Gan","Regioselective asymmetric stereoablative O-alkylation of α-nitrophosphonates via o-azaxylylene intermediates generated in situ from 3-bromooxindoles","RSC Advances","2014","4","23","11605","","10.1039/c3ra47100d","","","0.71073","MoKα","","0.1227","0.0635","","","0.1297","0.1503","","","","","","1.05","","","","has coordinates","232670","2020-10-21","18:00:00",""
"7235319","7.7603","0.0001","6.9346","0.0001","15.1225","0.0001","90","","93.392","0.001","90","","812.385","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0249","0.0245","","","0.0637","0.0641","","","","","","1.054","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235320","7.8661","0.0004","7.17","0.0004","14.9612","0.0008","90","","91.665","0.004","90","","843.45","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15.42 H18.58 N O6 S -","- C15.422 H18.578 N O6 S -","- C30.844 H37.156 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","0.71073","MoKα","","0.1746","0.0728","","","0.1787","0.2291","","","","","","1.008","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235336","10.26","0.003","5.82","0.002","14.06","0.004","90","","98.37","0.03","90","","830.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.3881","0.0664","","","0.0943","0.159","","","","","","0.696","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235392","12.6575","0.0006","5.6511","0.0003","12.7702","0.0006","90","","104.861","0.002","90","","882.88","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","PEPSEQ A=2 PHE*-PHE*","(β^3^-homophenylalanyl)-(α,β-dehydrophenylalanine) monohydrate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh","Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system","Journal of Materials Chemistry B","2014","2","20","3096","","10.1039/c3tb21856b","","","0.71073","MoKα","","0.0766","0.0431","","","0.0898","0.1027","","","","","","0.993","","","","has coordinates","232724","2020-10-21","18:00:00",""
"7235449","9.0157","0.0004","14.291","0.0007","9.7134","0.0004","90","","100.562","0.004","90","","1230.3","0.1","120","2","120","2","","","101","","","","","4","P 1 21 1","P 2yb","4","1-(diphenyltellurophosphoryl)-4-(diphenylphosphino)butane","1-(diphenyltellurophosphoryl)-4-(diphenylphosphino)butane","","- C28 H28 P2 Te -","- C28 H28 P2 Te -","- C56 H56 P4 Te2 -","2","1","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0259","0.024","","","0.0562","0.0569","","","","","","1.03","","","","has coordinates,has disorder","233042","2020-10-21","18:00:00",""
"7235478","16.749","0.004","8.124","0.002","17.552","0.004","90","","116.504","0.003","90","","2137.3","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O4 -","- C21 H33.5 N2 O4 -","- C84 H134 N8 O16 -","4","2","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.1133","0.0814","","","0.2084","0.2435","","","","","","1.078","","","","has coordinates,has disorder","233063","2020-10-21","18:00:00",""
"7235481","16.904","0.002","9.0287","0.0012","24.322","0.003","90","","100.205","0.013","90","","3653.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","4","","Yang, Jidong; Zhang, Qingzhao; Zhang, Wei; Yu, Wei","Synthesis of benzo[a]carbazoles and indolo[2,3-a]carbazoles via photoinduced carbene-mediated C‒H insertion reaction","RSC Adv.","2014","4","26","13704","","10.1039/C4RA00442F","","","0.71073","MoKα","","0.24","0.1157","","","0.2734","0.3699","","","","","","0.947","","","","has coordinates","233065","2020-10-21","18:00:00",""
"7235504","8.52","0.0002","5.8727","0.0002","16.941","0.0005","90","","98.145","0.002","90","","839.1","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","","Zhao, Qiang; Zhuo, Chun-Xiang; You, Shu-Li","Enantioselective synthesis of N-allylindoles via palladium-catalyzed allylic amination/oxidation of indolines","RSC Advances","2014","4","21","10875","","10.1039/c4ra00701h","","","1.54178","CuKα","","0.0367","0.035","","","0.0895","0.0907","","","","","","1.047","","","","has coordinates","233084","2020-10-21","18:00:00",""
"7235506","8.2016","0.0005","10.1084","0.0006","13.3847","0.0008","90","","91.338","0.003","90","","1109.36","0.12","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Han, Mei-Ling; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","New rearranged limonoids from Walsura cochinchinensis","RSC Adv.","2014","4","37","19150","","10.1039/C4RA00708E","","","1.54178","CuKα","","0.0725","0.0704","","","0.1858","0.1884","","","","","","1.069","","","","has coordinates","233086","2020-10-21","18:00:00",""
"7235517","11.4756","0.0003","17.6487","0.0005","26.0159","0.0007","90","","100.426","0.002","90","","5182","0.2","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl5 Fe N4 O -","- C59 H56 Cl5 Fe N4 O -","- C236 H224 Cl20 Fe4 N16 O4 -","4","2","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","1.54184","CuKα","","0.0366","0.0347","","","0.0973","0.099","","","","","","1.062","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235518","15.6125","0.0002","18.21","0.0003","18.3284","0.0003","90","","101.789","0.014","90","","5100.9","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C100.75 H123 N8 O17 -","- C100.75 H123 N8 O17 -","- C201.5 H246 N16 O34 -","2","1","","Jewula, Pawel; Chambron, Jean-Claude; Penouilh, Marie-José; Rousselin, Yoann; Meyer, Michel","A 4-tert-butylcalix[4]arene tetrahydroxamate podand based on the 1-oxypiperidine-2-one (1,2-PIPO−) chelate. Self-assembly into a supramolecular ionophore driven by coordination of tetravalent zirconium or hafnium(iv)","RSC Adv.","2014","4","43","22743","","10.1039/C4RA00977K","","x-ray","0.71073","MoKα","","0.0851","0.0715","","","0.1805","0.1978","","","","","","1.081","","","","has coordinates,has disorder","233099","2020-10-21","18:00:00",""
"7235530","11.9031","0.0009","9.4411","0.0005","19.8615","0.0015","90","","94.702","0.002","90","","2224.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O12 -","- C18 H24 Cl N O12 -","- C72 H96 Cl4 N4 O48 -","4","2","","Sahoo, Laxminarayan; Singhamahapatra, Anadi; Ramkumar, Vankatachalam; Loganathan, Duraikkannu","Regioselective opening of unsymmetrical cyclic anhydrides: synthesis of N-glycosylated isoasparagine and isoglutamine conjugates","RSC Advances","2014","4","42","22042","","10.1039/c4ra01234h","","","0.71073","MoKα","","0.0813","0.0524","","","0.1062","0.1198","","","","","","1.01","","","","has coordinates","233109","2020-10-21","18:00:00",""
"7235552","7.9816","0.0019","9.606","0.002","10.048","0.002","90","","94.281","0.003","90","","768.2","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 O S -","- C16 H19 N3 O S -","- C32 H38 N6 O2 S2 -","2","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0563","0.0553","","","0.1435","0.1456","","","","","","1.024","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235587","9.3781","0.0001","8.1224","0.0001","11.7374","0.0001","90","","112.532","0.0014","90","","825.824","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.033","0.0326","","0.0902","0.0896","0.0902","","","","","","1.005","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235588","9.64","0.0001","8.8771","0.0001","24.8424","0.0004","90","","98.6556","0.0014","90","","2101.68","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N O5.5 -","- C20 H27 Br N O5.5 -","- C80 H108 Br4 N4 O22 -","4","2","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0439","0.0418","","0.1029","0.1009","0.1029","","","","","","0.9968","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235589","8.9582","0.0001","10.6774","0.0001","9.5609","0.0001","90","","112.302","0.0015","90","","846.097","0.018","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O6 -","- C16 H27 N O6 -","- C32 H54 N2 O12 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.024","0.0234","","0.061","0.0601","0.061","","","","","","1.0058","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235590","10.9357","0.0002","9.2334","0.0002","11.0082","0.0002","90","","101.252","0.0015","90","","1090.17","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 Br N O5 -","- C21 H28 Br N O5 -","- C42 H56 Br2 N2 O10 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0304","0.0292","","0.0767","0.0755","0.0767","","","","","","1.0016","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235624","6.2699","0.0008","18.427","0.002","8.7769","0.0012","90","","90.755","0.002","90","","1014","0.2","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H34 B N O3 S -","- C18 H34 B N O3 S -","- C36 H68 B2 N2 O6 S2 -","2","1","","Chen, Jinbo; Chen, Ling-yan; Zheng, Yue; Sun, Zhihua","Asymmetric synthesis of stable α-aminoboronic esters catalyzed by N-heterocylic carbene and copper(i) chloride","RSC Advances","2014","4","40","21131","","10.1039/c4ra02229g","","","0.71073","MoKα","","0.0647","0.0422","","","0.0817","0.0891","","","","","","1.011","","","","has coordinates","233180","2020-10-21","18:00:00",""
"7235630","12.8069","0.0003","13.1036","0.0004","21.5568","0.0007","90","","90.7174","0.0004","90","","3617.3","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H46 Mo O4 Si -","- C39 H46 Mo O4 Si -","- C156 H184 Mo4 O16 Si4 -","4","2","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Insertion of carbon monoxide into an aldehyde CO double bond induced by an (η3-α-silabenzyl)carbonylmolybdenum complex","RSC Adv.","2014","4","37","19068","","10.1039/C4RA02308K","","","0.71069","MoKα","","0.0853","0.0681","","","0.1278","0.1365","","","","","","1.149","","","","has coordinates","233186","2020-10-21","18:00:00",""
"7235724","5.7359","0.0006","14.0228","0.0015","12.8595","0.0014","90","","97.839","0.002","90","","1024.67","0.19","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C20 H20 F5 N O4 S -","- C20 H20 F5 N O4 S -","- C40 H40 F10 N2 O8 S2 -","2","1","","Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier","First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides","RSC Advances","2015","5","9","6864","","10.1039/C4RA14075C","","x-ray","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0991","","","","","","1.061","","","","has coordinates,has disorder","233261","2020-10-21","18:00:00",""
"7235925","8.8713","0.0005","7.0968","0.0004","12.0516","0.0006","90","","110.095","0.003","90","","712.55","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0573","0.0434","","","0.1095","0.12","","","","","","1.048","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235982","7.201","0.003","10.323","0.004","7.211","0.002","90","","96.096","0.007","90","","533","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C24 H18 N2 O10 -","2","1","","Cui, L.-Y.; Wang, Y.-H.; Chen, S.-R.; Wang, Y.-M.; Zhou, Z.-H.","Stereocontrolled construction of 3H-furo[3,4-b]chromen-1(9H)-one scaffolds via organocatalyzed Michael addition and the following intramolecular dehydration","RSC Advances","2015","5","107","88133","","10.1039/C5RA17503H","","","1.54187","CuKα","","0.0293","0.0284","","","0.0757","0.0764","","","","","","1.124","","","","has coordinates","233806","2020-10-21","18:00:00",""
"7235983","9.007","0.004","13.691","0.004","11.577","0.004","90","","112.637","0.001","90","","1317.6","0.8","173","2","173","2","","","","","","","Fidalrestat,Sorbinil,Catechln and so on","4","P 1 21 1","P 2yb","4","NO","(2R,3R,4R)-3'-Methyl-4-(nitromethyl)-1',2-diphenyl spiro[chroman-3,4'-pyrazol]-5'(1'H)-one","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C58 H62 N6 O10 -","2","1","","Zheng, Weiping; Zhang, Jiayong; Liu, Shuang; Yu, Chengbin; Miao, Zhiwei","Asymmetric synthesis of spiro[chroman-3,3′-pyrazol] scaffolds with an all-carbon quaternary stereocenter via a oxa-Michael‒Michael cascade strategy with bifunctional amine-thiourea organocatalysts","RSC Advances","2015","5","111","91108","","10.1039/C5RA17792H","","","1.54187","CuKα","","0.0312","0.0309","","","0.0837","0.084","","","","","","1.051","","","","has coordinates","233807","2020-10-21","18:00:00",""
"7235984","12.346","0.005","7.136","0.003","20.348","0.007","90","","105.843","0.017","90","","1724.6","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H52 N2 O8 -","- C35 H52 N2 O8 -","- C70 H104 N4 O16 -","2","1","","Maity, Mitasree; Sajisha, Valiparambil Sanjayan; Maitra, Uday","Hydrogelation of bile acid‒peptide conjugates and in situ synthesis of silver and gold nanoparticles in the hydrogel matrix","RSC Advances","2015","5","110","90712","","10.1039/C5RA17917C","","x-ray","0.71073","MoKα","","0.1652","0.0894","","","0.213","0.2445","","","","","","0.997","","","","has coordinates","233809","2020-10-21","18:00:00",""
"7235993","12.348","0.001","22.49","0.002","16.843","0.002","90","","110.51","0.02","90","","4380.9","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79.36 H130.72 Al2 N4 O10.84 Si2 Zn3 -","- C79.36 H130.72 Al2 N4 O10.84 Si2 Zn3 -","- C158.72 H261.44 Al4 N8 O21.68 Si4 Zn6 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0619","0.0456","","","0.0924","0.0992","","","","","","0.993","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7236004","9.6471","0.001","10.6608","0.0011","10.4107","0.001","90","","93.64","0.005","90","","1068.54","0.19","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Gabr, Moustafa T.; Pigge, F. Christopher","Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene","RSC Advances","2015","5","110","90226","","10.1039/C5RA18724A","","","0.71073","MoKα","","0.0525","0.0448","","","0.1067","0.1134","","","","","","1.1","","","","has coordinates","233824","2020-10-21","18:00:00",""
"7236240","10.1661","0.0006","8.2577","0.0004","10.5397","0.0006","90","","102.382","0.006","90","","864.21","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0585","0.0569","","","0.1498","0.1525","","","","","","1.083","","","","has coordinates","235300","2020-10-21","18:00:00",""
"7236249","13.813","","33.186","","13.971","","90","","118.69","","90","","5618.03","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H40 K3 O67 -","- C72 H40 K3 O67 -","- C144 H80 K6 O134 -","2","1","","Sha, Jing-Quan; Zhong, Xiao-Hua; Wu, Lian-He; Liu, Guo-Dong; Sheng, Ning","Nontoxic and renewable metal‒organic framework based on α-cyclodextrin with efficient drug delivery","RSC Advances","2016","6","86","82977","","10.1039/C6RA16549D","","","0.71073","MoKα","","0.08","0.075","","","0.2096","0.217","","","","","","1.056","","","","has coordinates","235312","2020-10-21","18:00:00",""
"7236384","10.821","0.002","8.82","0.0018","11.286","0.002","90","","93.44","0.03","90","","1075.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1087","0.0525","","","0.0828","0.0981","","","","","","1.001","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236446","10.0732","0.0011","31.516","0.003","11.2075","0.0012","90","","99.143","0.002","90","","3512.8","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H42 N2 O2 Pt -","- C42 H42 N2 O2 Pt -","- C168 H168 N8 O8 Pt4 -","4","2","","Liu, Guojun; Liang, Feng; Zhao, Yue; Hu, Hailiang; Fan, Jian; Liao, Liang-Sheng","Phosphorescent platinum(ii) complexes based on spiro linkage-containing ligands","Journal of Materials Chemistry C","2017","5","8","1944","","10.1039/C6TC04312G","","","0.71073","MoKα","","0.0717","0.0516","","","0.1096","0.1176","","","","","","0.996","","","","has coordinates","235521","2020-10-21","18:00:00",""
"7236448","6.1567","0.0007","7.2515","0.0008","16.757","0.002","90","","95.203","0.005","90","","745.04","0.15","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","'C24 H16'","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","1","","Xu, Wenjun; He, Yaowu; Murtaza, Imran; Zhang, Dongwei; Li, Aiyuan; Hu, Zhao; Zeng, Xingwei; Guo, Yitong; Zhu, Yanan; Liu, Ming; Meng, Hong","Phenyl substitution in tetracene: a promising strategy to boost charge mobility in thin film transistors","Journal of Materials Chemistry C","2017","5","11","2852","","10.1039/C6TC04624J","","","0.71073","MoKα","","0.2486","0.2288","","","0.6281","0.6542","","","","","","1.041","","","","has coordinates","235527","2020-10-21","18:00:00",""
"7236610","8.1638","0.001","12.1332","0.0016","16.74","0.002","90","","99.227","0.009","90","","1636.7","0.4","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Co N10 O14 -","- C6 H12 Co N10 O14 -","- C24 H48 Co4 N40 O56 -","4","2","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0768","0.0518","","","0.1211","0.1336","","","","","","1.026","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236627","8.4668","0.0003","7.9589","0.0003","10.4031","0.0004","90","","92.847","0.002","90","","700.16","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Kowalski, Jeffrey A.; Casselman, Matthew D.; Kaur, Aman Preet; Milshtein, Jarrod D.; Elliott, Corrine F.; Modekrutti, Subrahmanyam; Attanayake, N. Harsha; Zhang, Naijao; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","A stable two-electron-donating phenothiazine for application in nonaqueous redox flow batteries","Journal of Materials Chemistry A","2017","5","46","24371","","10.1039/C7TA05883G","","","0.71073","MoKα","","0.0484","0.039","","","0.0883","0.0921","","","","","","1.067","","","","has coordinates","236367","2020-10-21","18:00:00",""
"7236630","3.6735","0.0006","20.633","0.004","7.9016","0.0013","90","","92.69","0.004","90","","598.24","0.18","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H14 N14 O4 -","- C2 H14 N14 O4 -","- C4 H28 N28 O8 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0292","0.0282","","","0.0668","0.0674","","","","","","1.105","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236656","5.222","0.002","8.635","0.004","11.558","0.005","90","","100.115","0.005","90","","513.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","WHU-3","Cu-(Gly-Thr)?2H2O","","- C6 H14 Cu N2 O6 -","- C6 H14 Cu N2 O6 -","- C12 H28 Cu2 N4 O12 -","2","1","","Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng","Stomata-like metal peptide coordination polymer","Journal of Materials Chemistry A","2017","5","45","23440","","10.1039/C7TA08002F","","","0.71073","MoKα","","0.0533","0.0474","","","0.1128","0.1167","","","","","","1.032","","","","has coordinates","236391","2020-10-21","18:00:00",""
"7236782","3.7206","0.0002","18.3471","0.0009","10.1369","0.0005","90","","98.126","0.003","90","","685.02","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C34 H26 N2 O10 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0952","0.0595","","","0.1616","0.1987","","","","","","1.039","","","","has coordinates","236512","2020-10-21","18:00:00",""
"7236812","17.5869","0.0009","11.4858","0.0006","20.3691","0.0013","90","","92.352","0.005","90","","4111.1","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H52 Br2 N2 O2 -","- C47 H52 Br2 N2 O2 -","- C188 H208 Br8 N8 O8 -","4","2","","Skórka, Łukasz; Mouesca, Jean-Marie; Gosk, Jacek B.; Puźniak, Roman; Pécaut, Jacques; Maurel, Vincent; Kulszewicz-Bajer, Irena","Towards enhancing spin states in doped arylamine compounds through extended planarity of the spin coupling moieties","Journal of Materials Chemistry C","2017","5","26","6563","","10.1039/C7TC01932G","","","0.71073","MoKα","","0.1269","0.0766","","","0.158","0.1851","","","","","","1.054","","","","has coordinates,has disorder","236533","2020-10-21","18:00:00",""
"7236976","9.0589","0.0004","5.6406","0.0002","9.4634","0.0004","90","","90.244","0.004","90","","483.55","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cd Cs O4 P -","- Cd Cs O4 P -","- Cd4 Cs4 O16 P4 -","4","2","","Shen, Yaoguo; Zhao, Sangen; Wang, Chenxi; Wang, Zujian; Feng, Jianghe; Hong, Maochun; Luo, Junhua","An optoelectronic duple bistable phosphate with ultrahigh thermal stability","Journal of Materials Chemistry C","2018","6","2","388","","10.1039/C7TC04644H","","","0.71073","MoKα","","0.0325","0.0306","","","0.0724","0.0738","","","","","","1.022","","","","has coordinates","236683","2020-10-21","18:00:00",""
"7236993","10.607","0.002","7.3468","0.0014","13.38","0.003","90","","93.482","0.002","90","","1040.7","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C32 H48 Cl8 N4 O4 Zn2 -","2","1","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.0341","0.0323","","","0.0817","0.0831","","","","","","0.97","","","","has coordinates","236698","2020-10-21","18:00:00",""
"7236995","10.45","0.003","7.501","0.002","26.893","0.008","90","","90.056","0.004","90","","2108","1","175","2","175","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","2","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.1231","0.1172","","","0.2768","0.2792","","","","","","1.292","","","","has coordinates,has disorder","236698","2020-10-21","18:00:00",""
"7236996","10.3963","0.0012","7.4549","0.0008","26.803","0.003","90","","91.0564","0.0016","90","","2077","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","2","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.0371","0.0363","","","0.0883","0.0887","","","","","","1.175","","","","has coordinates","236698","2020-10-21","18:00:00",""
"7237023","8.8548","0.0005","12.5141","0.0007","19.2074","0.0011","90","","93.534","0.002","90","","2124.3","0.2","146","2","146.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Br4 Fe2 N20 -","- C36 H32 Br4 Fe2 N20 -","- C72 H64 Br8 Fe4 N40 -","2","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0926","0.0572","","","0.0854","0.0941","","","","","","1.031","","","","has coordinates,has disorder","236719","2020-10-21","18:00:00",""
"7237039","13.5975","0.0006","6.7176","0.0002","13.7523","0.0006","90","","97.379","0.004","90","","1245.77","0.09","290.18","0.19","290.18","0.19","","","","","","","","5","P 1 21 1","P 2yb","4","","DVFBT","","- C26 H26 F2 N2 S3 -","- C26 H26 F2 N2 S3 -","- C52 H52 F4 N4 S6 -","2","1","","Liang, Xianfeng; Sun, Wandong; Chen, Yanlin; Tan, Luxi; Cai, Zhengxu; Liu, Zitong; Wang, Lin; Li, Jing; Chen, Wei; Dong, Lichun","A vinyl flanked difluorobenzothiadiazole‒dithiophene conjugated polymer for high performance organic field-effect transistors","Journal of Materials Chemistry C","2018","6","7","1774","","10.1039/C7TC05360F","","x-ray","1.54184","CuKα","","0.0879","0.0853","","","0.199","0.2061","","","","","","1.082","","","","has coordinates","236731","2020-10-21","18:00:00",""
"7237144","8.1896","0.0001","20.1788","0.0002","15.8594","0.0002","90","","90.44","0.001","90","","2620.79","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H56 N8 O25 Rh2 -","- C44 H56 N8 O25 Rh2 -","- C88 H112 N16 O50 Rh4 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","x-ray","1.54184","CuKα","","0.0315","0.0308","","","0.0762","0.077","","","","","","1.034","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237197","8.7287","0.0017","22.221","0.004","15.08","0.003","90","","91.16","0.03","90","","2924.3","1","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H60 I14 N6 Pb4 -","- C18 H60 I14 N6 Pb4 -","- C36 H120 I28 N12 Pb8 -","2","1","","Zhang, Yu; Li, Fengzhu; Jiang, Ke-Jian; Huang, Jin-Hua; Wang, Huijia; Fan, Haochen; Wang, Pengcheng; Liu, Cai-Ming; Zhang, Li-Peng; Song, YanLin","From 2D to 3D: a facile and effective procedure for fabrication of planar CH3NH3PbI3perovskite solar cells","Journal of Materials Chemistry A","2018","6","37","17867","","10.1039/C8TA07048B","","","0.71073","MoKα","","0.0826","0.08","","","0.2118","0.214","","","","","","1.093","","","","has coordinates","237476","2020-10-21","18:00:00",""
"7237287","7.2735","0.0003","8.571","0.0003","7.4768","0.0003","90","","108.893","0.004","90","","441","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","bromocholine bromide","(2-Bromoethyl)trimethylammonium bromide","","- C5 H13 Br2 N -","- C5 H13 Br2 N -","- C10 H26 Br4 N2 -","2","1","","Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature","Journal of Materials Chemistry C","2018","6","9","2221","","10.1039/C8TC00419F","","","0.71073","MoKα","","0.0316","0.03","","","0.0779","0.0786","","","","","","1.075","","","","has coordinates","237558","2020-10-21","18:00:00",""
"7237307","10.6303","0.0002","21.0524","0.0005","12.4988","0.0003","90","","93.553","0.002","90","","2791.77","0.11","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl2 F6 Ir N4 O2 P -","- C59 H62 Cl2 F6 Ir N4 O2 P -","- C118 H124 Cl4 F12 Ir2 N8 O4 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","0.71073","MoKα","","0.0765","0.0508","","","0.0995","0.1272","","","","","","1.079","","","","has coordinates","237583","2020-10-21","18:00:00",""
"7237309","10.5545","0.0001","20.9658","0.0003","12.6119","0.0002","90","","93.555","0.001","90","","2785.44","0.07","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl2 F6 Ir N4 P -","- C59 H62 Cl2 F6 Ir N4 P -","- C118 H124 Cl4 F12 Ir2 N8 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","1.54184","CuKα","","0.0422","0.0356","","","0.0841","0.0908","","","","","","1.06","","","","has coordinates","237583","2020-10-21","18:00:00",""
"7237310","10.7101","0.0001","20.1747","0.0002","14.3187","0.0001","90","","108.533","0.001","90","","2933.44","0.05","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H82 F6 Ir N4 O P -","- C60 H82 F6 Ir N4 O P -","- C120 H164 F12 Ir2 N8 O2 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","1.54184","CuKα","","0.0426","0.0391","","","0.1007","0.1087","","","","","","0.881","","","","has coordinates,has disorder","237583","2020-10-21","18:00:00",""
"7237325","10.2848","0.0006","9.012","0.0005","19.3052","0.0011","90","","91.856","0.005","90","","1788.39","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H32 N2 S -","- C50 H32 N2 S -","- C100 H64 N4 S2 -","2","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","x-ray","1.54184","CuKα","","0.0683","0.0543","","","0.1306","0.1409","","","","","","1.001","","","","has coordinates","237595","2020-10-21","18:00:00",""
"7237347","10.325","0.01","9.558","0.006","12.703","0.008","90","","90.73","0.07","90","","1253.5","1.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate","","- C15 H34 B10 N2 O4 -","- C15 H34 B10 N2 O4 -","- C30 H68 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.1212","0.0592","","","0.1115","0.1196","","","","","","1.005","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237348","11.118","0.007","9.389","0.004","13.347","0.007","90","","109.56","0.05","90","","1312.8","1.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0995","0.0583","","","0.1254","0.1345","","","","","","1.002","","","","has coordinates,has disorder","237620","2020-10-21","18:00:00",""
"7237349","10.44","0.004","9.605","0.005","13.592","0.008","90","","102.89","0.04","90","","1328.6","1.2","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0879","0.0529","","","0.102","0.1064","","","","","","1.001","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237352","10.388","0.011","9.372","0.01","13.622","0.01","90","","107.01","0.08","90","","1268","2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0464","0.0402","","","0.099","0.1008","","","","","","1.003","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237354","12.565","0.011","17.879","0.006","13.048","0.005","90","","112.99","0.06","90","","2698","3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C19 H34 B10 N2 O4 -","- C19 H34 B10 N2 O4 -","- C76 H136 B40 N8 O16 -","4","2","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0972","0.0501","","","0.1006","0.1094","","","","","","0.9817","","","","has coordinates,has disorder","237620","2020-10-21","18:00:00",""
"7237360","14.3135","0.0014","14.6015","0.0013","15.5923","0.0011","90","","101.462","0.007","90","","3193.8","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O S -","- C19 H15 N3 O S -","- C152 H120 N24 O8 S8 -","8","4","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.084","0.0549","","","0.1153","0.1347","","","","","","1.013","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237533","8.791","0.003","50.622","0.009","15.001","0.004","90","","96.16","0.03","90","","6637","3","99.97","0.18","99.97","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H28 F8 N2 -","- C42 H28 F8 N2 -","- C336 H224 F64 N16 -","8","4","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.089","0.0634","","","0.1354","0.1495","","","","","","1.06","","","","has coordinates","237753","2020-10-21","18:00:00",""
"7237654","7.7496","0.0012","4.9302","0.0008","12.611","0.002","90","","98.872","0.005","90","","476.06","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H4 N12 O3 -","- C3 H4 N12 O3 -","- C6 H8 N24 O6 -","2","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0682","0.0401","","","0.0788","0.0898","","","","","","1.005","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237657","5.5608","0.0005","18.9684","0.0018","7.5833","0.0007","90","","90.458","0.002","90","","799.86","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H N11 O2 -","- C3 H N11 O2 -","- C12 H4 N44 O8 -","4","2","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0507","0.0437","","","0.1091","0.1123","","","","","","1.091","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237724","8.1393","0.0003","25.2015","0.0009","10.9881","0.0005","90","","91.088","0.003","90","","2253.5","0.15","150","0.1","149.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H48 Br10 N6 O9 Pb2 -","- C18 H48 Br10 N6 O9 Pb2 -","- C36 H96 Br20 N12 O18 Pb4 -","2","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0684","0.0576","","","0.1458","0.1516","","","","","","1.013","","","","has coordinates","238557","2020-10-21","18:00:00",""
"7237727","12.3316","0.0004","8.0863","0.0002","23.0098","0.0007","90","","101.621","0.003","90","","2247.44","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H50 Br10 N6 O7 Pb2 -","- C18 H50 Br10 N6 O7 Pb2 -","- C36 H100 Br20 N12 O14 Pb4 -","2","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0621","0.0599","","","0.1649","0.1686","","","","","","1.004","","","","has coordinates,has disorder","238557","2020-10-21","18:00:00",""
"7237742","9.8488","0.0001","7.4186","0.0001","16.2441","0.0002","90","","104.848","0.001","90","","1147.23","0.02","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H20 N4 O2 -","- C32 H20 N4 O2 -","- C64 H40 N8 O4 -","2","1","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","x-ray","1.54184","CuKα","","0.0325","0.032","","","0.0803","0.081","","","","","","1.067","","","","has coordinates","238575","2020-10-21","18:00:00",""
"7237744","9.9748","0.0006","9.6537","0.0006","11.0118","0.0007","90","","108.037","0.007","90","","1008.26","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H16 F4 -","- C26 H16 F4 -","- C52 H32 F8 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","x-ray","0.71073","MoKα","","0.1773","0.1113","","","0.2813","0.3482","","","","","","1.026","","","","has coordinates","238578","2020-10-21","18:00:00",""
"7237745","9.9314","0.0007","9.4452","0.0006","10.8609","0.0008","90","","108.374","0.002","90","","966.86","0.12","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 F -","- C26 H19 F -","- C52 H38 F2 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.0806","0.0551","","","0.1549","0.1783","","","","","","1.04","","","","has coordinates,has disorder","238578","2020-10-21","18:00:00",""
"7237746","9.9332","0.0008","9.5602","0.0008","10.8668","0.0009","90","","108.551","0.003","90","","978.33","0.14","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H18 F2 -","- C26 H18 F2 -","- C52 H36 F4 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.1197","0.0808","","","0.2053","0.2358","","","","","","1.079","","","","has coordinates,has disorder","238578","2020-10-21","18:00:00",""
"7237747","9.8507","0.0006","9.6236","0.0006","10.6312","0.0007","90","","105.74","0.003","90","","970.04","0.11","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 F -","- C26 H19 F -","- C52 H38 F2 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.0902","0.0604","","","0.164","0.1901","","","","","","1.033","","","","has coordinates,has disorder","238578","2020-10-21","18:00:00",""
"7237824","8.0679","0.0002","10.5006","0.0003","14.0399","0.0004","90","","90.802","0.002","90","","1189.31","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 B Cl2 F4 N3 -","- C6 H18 B Cl2 F4 N3 -","- C24 H72 B4 Cl8 F16 N12 -","4","2","","Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang","A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride","Journal of Materials Chemistry C","2019","7","18","5348","","10.1039/C9TC01661A","","","0.71073","MoKα","","0.0354","0.0324","","","0.08","0.0814","","","","","","1","","","","has coordinates","238643","2020-10-21","18:00:00",""
"7237972","9.8537","0.0005","9.7409","0.0005","10.7497","0.0005","90","","107.104","0.005","90","","986.16","0.09","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.0649","0.0595","","","0.1803","0.19","","","","","","1.075","","","","has coordinates,has disorder","238805","2020-10-21","18:00:00",""
"7238001","9.7794","0.0002","9.5115","0.0002","23.9482","0.0005","90","","101.228","0.002","90","","2184.95","0.08","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","2","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.0566","0.0479","","","0.1317","0.139","","","","","","1.046","","","","has coordinates","238826","2020-10-21","18:00:00",""
"7238043","5.21733","0.00004","9.11328","0.00007","14.35413","0.00011","90","","90.7911","0.0003","90","","682.431","0.009","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","2","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0405","0.0405","","","0.112","0.112","","","","","","1.17","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238078","9.724","0.001","17.123","0.002","11.515","0.001","90","","103.278","0.009","90","","1866","0.3","293.2","","293.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H42 O4 S4 -","- C43 H36 O4 S4 -","- C86 H72 O8 S8 -","2","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0434","","","0.0678","","","","","1.39","1.39","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238131","13.7281","0.0005","10.14","0.0004","13.8928","0.0006","90","","118.578","0.001","90","","1698.3","0.12","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","","- C8.67 H17.57 N2.33 O3.29 -","- C8.66667 H17.574 N2.33333 O3.287 -","- C52 H105.444 N14 O19.722 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0436","0.0373","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238133","14.0668","0.0013","9.8053","0.001","14.1915","0.0014","90","","116.172","0.002","90","","1756.7","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.28 H16 F0.85 N2 O4.13 -","- C8.27967 H16 F0.855 N2 O4.12933 -","- C49.678 H96 F5.13 N12 O24.776 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0601","0.0455","","","0.1135","0.1213","","","","","","1.139","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238134","14.0999","0.0014","9.814","0.001","14.2142","0.0014","90","","116.14","0.002","90","","1765.7","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.55 H15.94 N2 O4.08 -","- C8.56233 H15.9407 N2 O4.086 -","- C51.374 H95.644 N12 O24.516 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0598","0.0389","","","0.0908","0.1","","","","","","1.114","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238211","6.7699","0.0004","12.5368","0.0007","12.755","0.0006","90","","104.12","0.004","90","","1049.85","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 Co O4 -","- C10 H14 Co O4 -","- C40 H56 Co4 O16 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.101","0.0551","","","0.1021","0.1186","","","","","","0.942","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238212","13.361","0.0007","13.0991","0.0006","13.361","0.0007","90","","116.375","0.001","90","","2094.99","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H60 Cu2 O16 -","- C40 H60 Cu2 O16 -","- C80 H120 Cu4 O32 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.0759","0.0535","","","0.1146","0.1366","","","","","","0.962","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238218","5.84","0.005","4.871","0.004","10.764","0.01","90","","91.656","0.016","90","","306.1","0.5","210","2","210","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","Phenylmethanol","Phenylmethanol","","- C7 H8 O -","- C7 H8 O -","- C14 H16 O2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1185","0.0897","","","0.2386","0.2555","","","","","","1.13","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238221","4.592","0.002","7.737","0.004","9.507","0.005","90","","94.213","0.008","90","","336.9","0.3","150","2","150","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","1-(bromomethyl)benzene","1-(bromomethyl)benzene","","- C7 H7 Br -","- C7 H7 Br -","- C14 H14 Br2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0817","0.0587","","","0.14","0.151","","","","","","1.003","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238242","9.955","0.008","7.032","0.005","10.184","0.008","90","","98.489","0.011","90","","705.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O7 -","- C10 H22 Cu N2 O7 -","- C20 H44 Cu2 N4 O14 -","2","1","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0365","0.0339","","","0.0659","0.0672","","","","","","1.021","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238248","10.7093","0.0007","8.1477","0.0004","12.8858","0.0008","90","","102.935","0.003","90","","1095.83","0.11","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.045","0.038","","","0.083","0.0864","","","","","","0.999","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238289","7.895","0.006","37.71","0.02","10.367","0.004","90","","103.31","0.04","90","","3004","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 N4 O9 S8 -","- C64 H48 N4 O9 S8 -","- C128 H96 N8 O18 S16 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.2219","0.0741","","","0.0753","0.0999","","","","","","1.004","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238290","11.444","0.005","8.203","0.005","19.741","0.005","90","0.005","106.302","0.005","90","0.005","1778.7","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 S4 -","- C38 H36 N2 O6 S4 -","- C76 H72 N4 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1622","0.0697","","","0.1239","0.1577","","","","","","0.969","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238291","8.4779","0.0009","11.7236","0.0018","20.177","0.003","90","","91.735","0.008","90","","2004.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1291","0.0725","","","0.1717","0.2005","","","","","","1.03","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238293","11.4261","0.0006","8.1962","0.0004","19.7771","0.0008","90","","104.035","0.006","90","","1796.85","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N2 O6 S6 -","- C34 H32 N2 O6 S6 -","- C68 H64 N4 O12 S12 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0954","0.0525","","","0.104","0.1208","","","","","","1.037","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238294","8.4781","0.0005","11.7306","0.0007","20.1726","0.0009","90","","91.661","0.006","90","","2005.39","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0912","0.0677","","","0.1784","0.1947","","","","","","1.033","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238350","10.4368","0.0008","5.8004","0.0004","10.1922","0.0007","90","","107.561","0.001","90","","588.26","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","2","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.68933","synchrotron","","0.044","0.0432","","","0.121","0.1218","","","","","","1.072","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238431","7.437","0.015","6.48","0.013","10.87","0.02","90","","90.185","0.017","90","","523.8","1.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H7 Br N2 O4 -","- C9 H7 Br N2 O4 -","- C18 H14 Br2 N4 O8 -","2","1","","Zhang, Yong; Jun Li, Zhi; Sen Xu, Hai; Zhang, Yuan; Wang, Wei","Organocatalytic asymmetric Henry reaction of isatins: Highly enantioselective synthesis of 3-hydroxy-2-oxindoles","RSC Advances","2011","1","3","389","","10.1039/c1ra00477h","","","0.71073","MoKα","","0.0776","0.0488","","","0.1074","0.1191","","","","","","0.981","","","","has coordinates","244171","2020-10-21","18:00:00",""
"7238453","4.32","0.004","10.637","0.004","16.09","0.004","90","0.005","94.11","0.005","90","0.005","737.5","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","2D1B","4-bromophenylboronate derivative of [5R,6S]-2-methyl-5,6-dihydroquinoline-5,6-diol","","- C16 H13 B Br N O2 -","- C16 H13 B Br N O2 -","- C32 H26 B2 Br2 N2 O4 -","2","1","","Chopard, Claude; Bertho, Gildas; Prangé, Thierry","Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes","RSC Adv.","2012","2","2","605","","10.1039/C1RA00706H","","","0.71069","MoKα","","0.0526","0.0374","","","0.0802","0.0866","","","","","","1.088","","","","has coordinates","244181","2020-10-21","18:00:00",""
"7238454","12.683","0.002","4.267","0.002","14.339","0.002","90","","107.93","0.05","90","","738.3","0.4","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","7d2B","4-bromophenylboronate derivative of [7S,8R]-1-methyl- 7,8-dihydroisoquinoline-7,8-diol","","- C16 H13 B Br N O2 -","- C16 H13 B Br N O2 -","- C32 H26 B2 Br2 N2 O4 -","2","1","","Chopard, Claude; Bertho, Gildas; Prangé, Thierry","Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes","RSC Adv.","2012","2","2","605","","10.1039/C1RA00706H","","","0.92","","","0.083","0.0829","","","0.2513","0.2514","","","","","","2.689","","","","has coordinates","244181","2020-10-21","18:00:00",""
"7238577","10.9631","0.0003","21.0687","0.0005","14.2884","0.0004","90","","94.404","0.001","90","","3290.57","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C136 H176 O40 -","- C136 H176 O40 -","- C136 H176 O40 -","1","0.5","","Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong","Lineariifolianoids A‒D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia","RSC Advances","2012","2","4","1307","","10.1039/c2ra01014c","","","1.54178","CuKα","","0.0436","0.0433","","","0.1285","0.1298","","","","","","1.044","","","","has coordinates","244240","2020-10-21","18:00:00",""
"7238578","9.5025","0.0001","9.9525","0.0001","17.3337","0.0002","90","","104.11","","90","","1589.85","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 N O7 -","- C34 H43 N O7 -","- C68 H86 N2 O14 -","2","1","","Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong","Lineariifolianoids A‒D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia","RSC Advances","2012","2","4","1307","","10.1039/c2ra01014c","","","1.54178","CuKα","","0.0315","0.0313","","","0.0948","0.0952","","","","","","1.065","","","","has coordinates","244240","2020-10-21","18:00:00",""
"7238591","5.5386","0.0005","7.0291","0.0007","23.255","0.002","90","","93.015","0.005","90","","904.1","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O6 -","- C18 H32 O6 -","- C36 H64 O12 -","2","1","","Ganesan, M.; Muraleedharan, K. M.","Oxanorbornane-based amphiphilic systems: design, synthesis and material properties","RSC Advances","2012","2","10","4048","","10.1039/c2ra01198k","","","0.71073","MoKα","","0.1089","0.0496","","","0.099","0.1346","","","","","","1.033","","","","has coordinates","244246","2020-10-21","18:00:00",""
"7238611","8.3389","0.0004","14.6212","0.0007","12.1621","0.0006","90","","104.483","0.001","90","","1435.74","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H40 Cl2 N2 O16 -","- C21 H40 Cl2 N2 O16 -","- C42 H80 Cl4 N4 O32 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0512","0.05","","","0.1279","0.1291","","","","","","1.06","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238673","7.418","0.002","10.583","0.003","10.003","0.003","90","","98.473","0.003","90","","776.7","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O -","- C20 H18 Fe O -","- C40 H36 Fe2 O2 -","2","1","","Busetto, Luigi; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio","Iron(ii) catalyzed dehydrative etherification of alcohols: a convenient route to ferrocenylmethanol-ethers","RSC Advances","2012","2","17","6810","","10.1039/c2ra20708g","","","0.71073","MoKα","","0.0495","0.0385","","","0.0865","0.092","","","","","","0.99","","","","has coordinates","244283","2020-10-21","18:00:00",""
"7238686","5.9196","0.0003","19.4951","0.0009","9.1303","0.0005","90","","107.906","0.005","90","","1002.63","0.09","123","","123","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Haindl, Michael H.; Schmid, Markus B.; Zeitler, Kirsten; Gschwind, Ruth M.","What is your actual catalyst? TMS cleavage rates of diarylprolinol silyl ethers studied by in situ NMR","RSC Advances","2012","2","14","5941","","10.1039/c2ra20860a","","x-ray","1.54184","CuKα","","0.0513","0.0455","","","0.1208","0.1276","","","","","","1.09","","","","has coordinates","244291","2020-10-21","18:00:00",""
"7238689","11.1999","0.0004","12.2306","0.0004","16.1208","0.0006","90","","97.15","0.002","90","","2191.08","0.13","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C46 H56 Fe2 O14 -","- C46 H56 Fe2 O14 -","- C92 H112 Fe4 O28 -","2","1","","Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence","Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters","RSC Advances","2012","2","18","7030","","10.1039/c2ra21045b","","x-ray","0.71073","MoKα","","0.0275","0.0249","","","0.055","0.0562","","","","","","1","","","","has coordinates","244294","2020-10-21","18:00:00",""
"7238735","9.573","0.0005","15.2408","0.0009","16.3095","0.001","90","","91.996","0.002","90","","2378.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H90 N2 O13 -","- C36 H90 N2 O13 -","- C72 H180 N4 O26 -","2","1","","Rouch, Anne; Castellan, Tessa; Fabing, Isabelle; Saffon, Nathalie; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe; Génisson, Yves","Tartrate-based ionic liquids: unified synthesis and characterisation","RSC Adv.","2013","3","2","413","","10.1039/C2RA21637J","","","0.71073","MoKα","","0.0953","0.0625","","","0.1579","0.1808","","","","","","1.031","","","","has coordinates,has disorder","244321","2020-10-21","18:00:00",""
"7238761","6.0659","0.0002","15.5656","0.0006","12.9608","0.0005","90","","99.791","0.003","90","","1205.93","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl2 N O5 S -","- C23 H27 Cl2 N O5 S -","- C46 H54 Cl4 N2 O10 S2 -","2","1","","Flores, MariFe; García-García, Pilar; Garrido, Narciso M.; Marcos, Isidro S.; Sanz, Francisca; Díez, David","From isoxazolidines to tetrahydro-1,3-oxazines for the synthesis of chiral pyrrolidines","RSC Advances","2012","2","29","11040","","10.1039/c2ra22110a","","","1.54178","CuKα","","0.0403","0.0379","","","0.1017","0.1042","","","","","","1.039","","","","has coordinates","244335","2020-10-21","18:00:00",""
"7238809","3.86191","0.00015","21.4583","0.0009","16.3912","0.0007","90","","93.24","0.007","90","","1356.17","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H26 N2 O4 -","- C38 H26 N2 O4 -","- C76 H52 N4 O8 -","2","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","1.54187","CuKα","","0.1051","0.0948","","","0.2188","0.2327","","","","","","1.008","","","","has coordinates","244366","2020-10-21","18:00:00",""
"7238811","13.1373","0.0002","18.6703","0.0003","30.2795","0.0005","90","","95.792","0.001","90","","7389","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C114 H147 Eu3 N46 O23 W3 -","- C114 H147 Eu3 N46 O23 W3 -","- C228 H294 Eu6 N92 O46 W6 -","2","1","","Chorazy, Szymon; Nakabayashi, Koji; Ozaki, Noriaki; Pełka, Robert; Fic, Tomasz; Mlynarski, Jacek; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Thermal switching between blue and red luminescence in magnetic chiral cyanido-bridged EuIII‒WVcoordination helices","RSC Adv.","2013","3","4","1065","","10.1039/C2RA23033J","","","0.71075","MoKα","","0.0396","0.0374","","","0.0899","0.0908","","","","","","1.122","","","","has coordinates,has disorder","244368","2020-10-21","18:00:00",""
"7238812","13.1255","0.0003","18.6363","0.0003","30.2302","0.0006","90","","95.662","0.001","90","","7358.6","0.3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C114 H147 Eu3 N46 O23 W3 -","- C114 H147 Eu3 N46 O23 W3 -","- C228 H294 Eu6 N92 O46 W6 -","2","1","","Chorazy, Szymon; Nakabayashi, Koji; Ozaki, Noriaki; Pełka, Robert; Fic, Tomasz; Mlynarski, Jacek; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Thermal switching between blue and red luminescence in magnetic chiral cyanido-bridged EuIII‒WVcoordination helices","RSC Adv.","2013","3","4","1065","","10.1039/C2RA23033J","","","0.71075","MoKα","","0.0452","0.041","","","0.0835","0.0862","","","","","","1.075","","","","has coordinates,has disorder","244368","2020-10-21","18:00:00",""
"7238815","6.8796","0.0003","18.3527","0.0007","7.5914","0.0003","90","","92.61","0.002","90","","957.49","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C48 H38 N2 O8 -","2","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.0437","0.0362","","","0.0901","0.0949","","","","","","1.039","","","","has coordinates","244371","2020-10-21","18:00:00",""
"7238890","10.3953","0.0004","17.2537","0.0006","16.1405","0.0006","90","","100.491","0.002","90","","2846.53","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H58 Br2 N8 O3 -","- C60 H52 Br3.999 N8 O3 -","- C120 H104 Br7.998 N16 O6 -","2","1","","Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina","Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours","RSC Advances","2013","3","16","5624","","10.1039/c3ra21678k","","","0.71073","MoKα","","0.0956","0.0637","","","0.1719","0.1974","","","","","","1.056","","","","has coordinates","244448","2020-10-21","18:00:00",""
"7238915","18.519","0.003","14.082","0.003","26.628","0.004","90","","91.79","0.003","90","","6941","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H70 Br12 Co3 N15 O20 -","- C39 H54 Br12 Co3 N15 O20 -","- C156 H216 Br48 Co12 N60 O80 -","4","2","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0932","0.0633","","","0.1375","0.1536","","","","","","1.016","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238935","11.446","0.002","14.77","0.003","14.492","0.002","90","","96.015","0.003","90","","2436.5","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H39 Br3 O13 -","- C48 H39 Br3 O13 -","- C96 H78 Br6 O26 -","2","1","","Liu, Jie-Qing; Peng, Xing-Rong; Zhang, Wei-Ming; Shi, Lei; Li, Xu-Yang; Chen, Jian-Chao; Qiu, Ming-Hua","Swietemahalactone, a rearranged phragmalin-type limonoid with anti-bacterial effect, from Swietenia mahagoni","RSC Advances","2013","3","15","4890","","10.1039/c3ra23401k","","","0.71073","MoKα","","0.1082","0.0723","","","0.202","0.2273","","","","","","1.01","","","","has coordinates","244471","2020-10-21","18:00:00",""
"7238943","12.4626","0.0001","8.235","0.0001","12.6582","0.0001","90","","114.56","0.01","90","","1181.57","0.1","100","1","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl[(3R*,4R*,4aR*))-1-benzyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4,4a,5,6,7- octahydroquinolin-3-yl]phosphonate","","- C26 H32 N O5 P -","- C26 H32 N O5 P -","- C52 H64 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0423","0.0423","","","0.1182","0.1182","","","","","","1.05","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238946","15.3327","0.0012","9.0849","0.0007","19.0305","0.0015","90","","101.416","0.003","90","","2598.4","0.4","291","1","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl [(3R,4R)-4-(2-hydroxyphenyl)-2-oxo-1-((R)-1- phenylethyl)-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl]phosphonate","","- C54 H68 N2 O10 P2 -","- C54 H68 N2 O10 P2 -","- C108 H136 N4 O20 P4 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0425","0.0419","","","0.1175","0.1184","","","","","","1.03","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238947","15.3297","0.0002","9.0879","0.0001","19.0093","0.0003","90","","101.437","0.001","90","","2595.69","0.06","291","1","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl [(3S,4S)-4-(2-hydroxyphenyl)-2-oxo-1-((S)-1- phenylethyl)-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl]phosphonate","","- C54 H68 N2 O10 P2 -","- C54 H68 N2 O10 P2 -","- C108 H136 N4 O20 P4 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0348","0.0342","","","0.0957","0.0964","","","","","","1.031","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238992","9.5334","0.0004","6.4275","0.0002","13.057","0.0005","90","","108.293","0.002","90","","759.65","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N4 S -","- C17 H14 N4 S -","- C34 H28 N8 S2 -","2","1","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.0479","0.0444","","","0.1197","0.1237","","","","","","0.909","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7238993","9.0267","0.001","33.436","0.003","12.2036","0.0011","90","","100.916","0.006","90","","3616.6","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 N9 Ni O S2 -","- C37 H33 N9 Ni O S2 -","- C148 H132 N36 Ni4 O4 S8 -","4","2","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.2287","0.0879","","","0.2039","0.206","","","","","","0.857","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7239019","5.9139","0.0018","18.664","0.006","8.834","0.003","90","","93.314","0.005","90","","973.4","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H15 Cl N2 O5 -","- C23 H15 Cl N2 O5 -","- C46 H30 Cl2 N4 O10 -","2","1","","Ma, Shijun; Wu, Lulu; Liu, Ming; Xu, Xiufang; Huang, Yaodong; Wang, Yongmei","Highly enantioselective aza-Michael addition reactions of 4-nitrophthalimide with α,β-unsaturated ketones","RSC Advances","2013","3","29","11498","","10.1039/c3ra41179f","","","0.71073","MoKα","","0.0434","0.0309","","","0.0531","0.0555","","","","","","1.017","","","","has coordinates","244510","2020-10-21","18:00:00",""
"7239039","9.95","0.004","13.482","0.005","17.253","0.006","90","","105.438","0.009","90","","2230.9","1.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H48 Cu N6 O8 -","- C48 H48 Cu N6 O8 -","- C96 H96 Cu2 N12 O16 -","2","1","","Samanta, Suvendu; Das, Sudipto; Samanta, Partha Kumar; Dutta, Supriya; Biswas, Papu","A mononuclear copper(ii) complex immobilized in mesoporous silica: an efficient heterogeneous catalyst for the aerobic oxidation of benzylic alcohols","RSC Advances","2013","3","42","19455","","10.1039/c3ra41417e","","","0.71073","MoKα","","0.0344","0.0303","","","0.0742","0.077","","","","","","1.027","","","","has coordinates","244518","2020-10-21","18:00:00",""
"7239083","9.0578","0.0003","17.9136","0.0007","10.2169","0.0004","90","","113.597","0.002","90","","1519.16","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N O5 -","- C32 H47 N O5 -","- C64 H94 N2 O10 -","2","1","","Romanski, Jan; Nowak, Piotr; Maksymiuk, Anna; Chapuis, Christian; Jurczak, Janusz","Diastereoselective 1,3-dipolar cycloadditions of both electronically modified phenyl-nitrile oxides and stilbenes","RSC Advances","2013","3","45","23105","","10.1039/c3ra41718b","","","0.71073","MoKα","","0.0452","0.0405","","","0.1096","0.1136","","","","","","1.042","","","","has coordinates","244538","2020-10-21","18:00:00",""
"7239132","17.7927","0.0014","11.1432","0.0009","18.4952","0.0015","90","","102.033","0.002","90","","3586.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 N2 O8 S -","- C39 H38 N2 O8 S -","- C156 H152 N8 O32 S4 -","4","2","","Huang, You-ming; Zheng, Chang-wu; Zhao, Gang","Organocatalyzed aza-Michael‒Michael cascade reactions to construct spirooxindole tetrahydroquinolines with all-carbon chiral centers","RSC Advances","2013","3","38","16999","","10.1039/c3ra42783h","","","0.71073","MoKα","","0.076","0.0572","","","0.1375","0.1512","","","","","","1.019","","","","has coordinates,has disorder","244564","2020-10-21","18:00:00",""
"7239134","7.487","0.0015","16.276","0.003","11.153","0.002","90","","90.01","0.03","90","","1359.1","0.4","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","","Kacharov, Alexey D.; Yemets, Sergiy V.; Nemykin, Victor N.; Kacharova, Liliya M.; Fokin, Andrey A.; Krasutsky, Pavel A.","Stereoselectivity of A-ring contraction for 3-oxotriterpenoids","RSC Advances","2013","3","41","19057","","10.1039/c3ra42929f","","","0.71073","MoKα","","0.0923","0.0797","","0.1995","0.1774","0.1995","","","","","","0.9688","","","","has coordinates","244566","2020-10-21","18:00:00",""
"7239154","9.293","0.0015","14.162","0.002","10.4495","0.0018","90","","104.566","0.002","90","","1331","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","1","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.0718","0.0665","","","0.195","0.2037","","","","","","1.045","","","","has coordinates","244575","2020-10-21","18:00:00",""
"7239180","10.883","0.0013","17.564","0.002","12.8833","0.0015","90","","110.187","0.001","90","","2311.4","0.5","273","2","273","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H38 Cl N3 O2 P2 Ru S -","- C51 H38 Cl N3 O2 P2 Ru S -","- C102 H76 Cl2 N6 O4 P4 Ru2 S2 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Huang, R.; Hornebecq, V.; Dallemer, F.; Vijaya Padma, V.; Natarajan, K.","Synthesis and structural characterization of new ruthenium(ii) complexes and investigation of their antiproliferative and metastatic effect against human lung cancer (A549) cells","RSC Advances","2013","3","43","20363","","10.1039/c3ra43335h","","","0.71073","MoKα","","0.0309","0.0295","","","0.0779","0.0794","","","","","","1.026","","","","has coordinates","244590","2020-10-21","18:00:00",""
"7239228","8.1567","0.0006","6.6861","0.0005","12.7905","0.001","90","","97.2784","0.0011","90","","691.93","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O S2 -","- C13 H24 O S2 -","- C26 H48 O2 S4 -","2","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0279","0.0263","","","0.0655","0.0665","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239230","8.49","0.003","20.303","0.006","11.09","0.003","90","","90.152","0.005","90","","1911.6","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 O S2 -","- C20 H30 O S2 -","- C80 H120 O4 S8 -","4","2","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0973","0.0793","","","0.203","0.2225","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239260","9.2228","0.0006","7.4537","0.0005","16.957","0.0012","90","","96.151","0.002","90","","1158.98","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O6 -","- C27 H25 N O6 -","- C54 H50 N2 O12 -","2","1","","Qiu, Lin; Guo, Xin; Zhou, Jun; Liu, Shunying; Yang, Liping; Wu, Xiang; Hu, Wenhao","A stereoselective synthesis of fully substituted tetrahydrofurans through 1,3-dipolar cycloaddition with cinnamaldehydes: an easy access to chroman derivatives","RSC Advances","2013","3","43","20065","","10.1039/c3ra44123g","","","0.71073","MoKα","","0.0282","0.0273","","","0.0722","0.0731","","","","","","1.079","","","","has coordinates","244622","2020-10-21","18:00:00",""
"7239289","10.9071","0.0017","8.843","0.0014","19.865","0.003","90","","101.897","0.003","90","","1874.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H53 N3 O13 -","- C32 H53 N3 O13 -","- C64 H106 N6 O26 -","2","1","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.0709","0.0429","","","0.0996","0.1126","","","","","","0.992","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239328","5.8859","0.0005","27.177","0.002","18.4902","0.0014","90","","94.2","0.003","90","","2949.8","0.4","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C39 H36 -","- C39 H36 -","- C156 H144 -","4","2","","Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François","Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes","RSC Advances","2013","3","45","22845","","10.1039/c3ra44883e","","","0.71073","MoKα","","0.0756","0.0453","","","0.0867","0.0976","","","","","","0.996","","","","has coordinates","244654","2020-10-21","18:00:00",""
"7239367","7.498","0.005","21.404","0.005","13.732","0.005","90","","91.611","0.005","90","","2202.9","1.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1,4-dihydronaphthalen-2-yl) methyl)piperidin-1-ium hydrogensulfate'","","- C22 H24 N4 O7 S -","- C22 H24 N4 O7 S -","- C88 H96 N16 O28 S4 -","4","2","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.082","0.0493","","","0.1189","0.1325","","","","","","0.915","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239378","11.6386","0.0008","19.1068","0.0013","11.7615","0.0008","90","","94.728","0.001","90","","2606.6","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","jonjk63","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1029","0.0559","","","0.1155","0.1372","","","","","","1.022","","","","has coordinates,has disorder","244671","2020-10-21","18:00:00",""
"7239432","5.6181","0.0004","21.232","0.0019","10.8628","0.0009","90","","98.103","0.002","90","","1282.82","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","2","","Van Rossom, Wim; Matsushita, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","New synthesis of unsymmetrically-substituted 2,5-diarylpyrroles from homopropargyl sulfonamides","RSC Advances","2014","4","10","4897","","10.1039/c3ra46579a","","","0.71073","MoKα","","0.0579","0.0414","","","0.1013","0.1152","","","","","","1.031","","","","has coordinates","244702","2020-10-21","18:00:00",""
"7239435","22.2423","0.0005","9.3087","0.0002","22.52","0.0006","90","","103.449","0.002","90","","4534.83","0.19","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C95 H74 Cl15 N3 O3 -","- C95 H74 Cl15 N3 O3 -","- C190 H148 Cl30 N6 O6 -","2","1","","Yamakado, Ryohei; Matsuoka, Shin-ichi; Suzuki, Masato; Takeuchi, Daisuke; Masu, Hyuma; Azumaya, Isao; Takagi, Koji","Synthesis, reaction, and optical properties of cyclic oligomers bearing 9,10-diphenylanthracene based on an aromatic tertiary amide unit","RSC Advances","2014","4","13","6752","","10.1039/c3ra46652c","","","1.54178","CuKα","","0.1008","0.0856","","","0.2403","0.264","","","","","","1.029","","","","has coordinates,has disorder","244705","2020-10-21","18:00:00",""
"7239443","10.3512","0.0008","14.0265","0.0011","12.8571","0.001","90","","105.177","0.005","90","","1801.6","0.2","298","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C84 H60 Br6 N6 O6 -","6","3","","Khatun, Nilufa; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","Divergent reactivities of o-haloanilides with CuO nanoparticles in water: a green synthesis of benzoxazoles and o-hydroxyanilides","RSC Advances","2014","4","21","10770","","10.1039/c3ra46820h","","","0.71073","MoKα","","0.1695","0.0552","","","0.1374","0.1897","","","","","","0.89","","","","has coordinates","244710","2020-10-21","18:00:00",""
"7239458","8.358","0.002","6.1406","0.0018","16.069","0.004","90","","93.667","0.015","90","","823","0.4","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","","Goel, Richa; Luxami, Vijay; Paul, Kamaldeep","Palladium catalyzed novel monoarylation and symmetrical/unsymmetrical diarylation of imidazo[1,2-a]pyrazines and their in vitro anticancer activities","RSC Advances","2014","4","19","9885","","10.1039/c3ra47192f","","","0.71073","MoKα","","0.1247","0.0543","","","0.0691","0.0828","","","","","","1.143","","","","has coordinates","244719","2020-10-21","18:00:00",""
"7239463","11.8655","0.0002","6.3477","0.0001","14.6161","0.0002","90","","97.031","0.001","90","","1092.59","0.03","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 -","- C25 H37 N O2 -","- C50 H74 N2 O4 -","2","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A‒M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.0427","0.0408","","","0.1195","0.1225","","","","","","0.992","","","","has coordinates","244722","2020-10-21","18:00:00",""
"7239471","10.255","0.0017","12.84","0.002","12.682","0.002","90","","107.119","0.005","90","","1595.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H33 Ag3 Cl2 Ni O16 -","- C19 H33 Ag3 Cl2 Ni O16 -","- C38 H66 Ag6 Cl4 Ni2 O32 -","2","1","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.0645","0.0404","","","0.0875","0.0968","","","","","","0.961","","","","has coordinates,has disorder","244724","2020-10-21","18:00:00",""
"7239474","7.3468","0.0013","19.924","0.004","13.152","0.002","90","","100.454","0.002","90","","1893.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","8,20-Dithia-10,18-diamina-16,96,196-trimethyl-12,14-dioxo-1(1,3),9(2,4),19(4,2)-tripyrimidinacyclohexacosaphane","8,20-Dithia-10,18-diamina-16,96,196-trimethyl-12,14-dioxo-1(1,3),9(2,4),19(4,2)-tripyrimidinacyclohexacosaphane","","- C34 H52 N8 O2 S2 -","- C34 H52 N8 O2 S2 -","- C68 H104 N16 O4 S4 -","2","1","","Podyachev, Sergey N.; Semenov, Vyacheslav E.; Syakaev, Victor V.; Kashapova, Nadezda E.; Sudakova, Svetlana N.; Voronina, Julia K.; Mikhailov, Anatoly S.; Voloshina, Alexandra D.; Reznik, Vladimir S.; Konovalov, Alexander I.","Metal binding properties of pyrimidinophanes and their acyclic counterparts","RSC Advances","2014","4","20","10228","","10.1039/c3ra47571a","","","0.71073","MoKα","","0.1772","0.0705","","","0.1831","0.2279","","","","","","0.812","","","","has coordinates,has disorder","244726","2020-10-21","18:00:00",""
"7239483","10.019","0.005","15.041","0.007","13.613","0.007","90","","103.487","0.013","90","","1994.8","1.7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O2 S4 -","- C40 H44 N2 O2 S4 -","- C80 H88 N4 O4 S8 -","2","1","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.1132","0.0903","","","0.237","0.2547","","","","","","1.122","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239490","5.0171","0.0002","16.1781","0.0006","10.3154","0.0004","90","","102.463","0.002","90","","817.54","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","1","","Alcaine, Ana; Marqués-López, Eugenia; Herrera, Raquel P.","Synthesis of interesting β-nitrohydrazides through a thiourea organocatalysed aza-Michael addition","RSC Adv.","2014","4","19","9856","","10.1039/C3RA47925K","","","1.54178","CuKα","","0.0617","0.0598","","","0.148","0.1503","","","","","","1.038","","","","has coordinates","244731","2020-10-21","18:00:00",""
"7239512","4.9619","0.0004","13.106","0.0014","12.2014","0.0009","90","","91.684","0.006","90","","793.12","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling","Rational design of a reusable chemodosimeter for the selective detection of Hg2+","Journal of Materials Chemistry A","2013","1","18","5501","","10.1039/c3ta10412e","","","0.71073","MoKα","","0.0584","0.0439","","","0.1161","0.1252","","","","","","1.018","","","","has coordinates","244739","2020-10-21","18:00:00",""
"7239533","12.364","0.003","22.542","0.005","12.548","0.003","90","","106.993","0.005","90","","3344.6","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C84 H88 N4 -","- C84 H88 N4 -","- C168 H176 N8 -","2","1","","Cai, Shengyun; Tian, Guojian; Li, Xin; Su, Jianhua; Tian, He","Efficient and stable DSSC sensitizers based on substituted dihydroindolo[2,3-b]carbazole donors with high molar extinction coefficients","Journal of Materials Chemistry A","2013","1","37","11295","","10.1039/c3ta11748k","","","0.71073","MoKα","","0.1467","0.0574","","","0.1269","0.1681","","","","","","0.958","","","","has coordinates,has disorder","244752","2020-10-21","18:00:00",""
"7239632","11.336","0.0008","6.3863","0.0004","15.8956","0.0011","90","","95.678","0.002","90","","1145.12","0.13","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Velezheva, V. S.; Babii, O. L.; Khodak, A. A.; Alekseeva, E. A.; Nelyubina, Yu V.; Godovikov, I. A.; Peregudov, A. S.; Majorov, K. B.; Nikonenko, B. V.","Novel base-initiated cascade reactions of hemiindigos to produce dipolar γ-carbolines and indole-fused pentacycles","RSC Advances","2019","9","71","41402","","10.1039/C9RA07807J","","","0.71073","MoKα","","0.0848","0.0521","","","0.0855","0.1016","","","","","","1.0335","","","","has coordinates","245190","2020-10-21","18:00:00",""
"7239644","6.8717","0.0004","7.659","0.0004","14.4338","0.0007","90","","101.854","0.002","90","","743.46","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C32 H30 N2 O12 -","2","1","","Ghosh, Arun K.; Grillo, Alessandro; Kovela, Satish; Brindisi, Margherita","Asymmetric Diels‒Alder reaction of 3-(acyloxy)acryloyl oxazolidinones: optically active synthesis of a high-affinity ligand for potent HIV-1 protease inhibitors","RSC Advances","2019","9","71","41755","","10.1039/C9RA10178K","","","0.71073","MoKα","","0.0549","0.0437","","","0.1107","0.1182","","","","","","1.044","","","","has coordinates","245306","2020-10-21","18:00:00",""
"7239649","7.6003","0.0004","19.5864","0.0012","10.5405","0.0006","90","","93.758","0.002","90","","1565.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0506","0.0379","","","0.091","0.0994","","","","","","1.027","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239752","9.6267","0.0007","5.2704","0.0002","13.829","0.0017","90","","109.943","0.011","90","","659.56","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","1","0.5","","Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.","Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities","CrystEngComm","2020","22","5","986","997","10.1039/C9CE01333D","","x-ray","1.54184","CuKα","","0.0829","0.0687","","","0.1864","0.2039","","","","","","1.025","","","","has coordinates,has disorder","257450","2020-10-21","18:00:00",""
"7239759","9.588","0.0012","9.1464","0.0013","15.181","0.003","90","","95.161","0.013","90","","1325.9","0.4","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C10H16N)2MnBr4","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang","An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature","CrystEngComm","2020","22","8","1436","1441","10.1039/C9CE01888C","","","1.54178","CuKα","","0.041","0.0391","","","0.1128","0.1154","","","","","","1.048","","","","has coordinates","257440","2020-10-21","18:00:00",""
"7239805","14.2747","0.0019","6.4197","0.0009","14.897","0.002","90","","105.303","0.009","90","","1316.7","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0866","0.0683","","","0.1556","0.1718","","","","","","1.061","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239807","13.9664","0.0004","6.5552","0.0002","15.1284","0.0005","90","","104.366","0.002","90","","1341.73","0.07","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0595","0.0534","","","0.1558","0.1613","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239829","8.5713","0.0006","31.375","0.002","11.2567","0.0008","90","","105.525","0.002","90","","2916.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C120 H172 N4 O32 -","4","2","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.34139","GaKα","","0.0379","0.0354","","","0.0909","0.0931","","","","","","1.013","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239878","8.7889","0.0003","10.1048","0.0005","8.8667","0.0003","90","","93.111","0.003","90","","786.29","0.05","114","4","114","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl O5 -","- C20 H15 Cl O5 -","- C40 H30 Cl2 O10 -","2","1","","Liu, Xinlei; Li, Shuyi; Wei, Xinyu; Zhao, Yu; Lai, Daowan; Zhou, Ligang; Wang, Mingan","Total synthesis of Palmarumycin BGs, C1 and Guignardin E","RSC Advances","2020","10","3","1588","1594","10.1039/C9RA10316C","","x-ray","1.54184","CuKα","","0.0394","0.0379","","","0.0975","0.099","","","","","","1.042","","","","has coordinates","258147","2020-10-21","18:00:00",""
"7239902","7.7534","0.0003","15.3166","0.0004","8.7169","0.0004","90","","112.728","0.005","90","","954.8","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O6 -","- C19 H17 Co N3 O6 -","- C38 H34 Co2 N6 O12 -","2","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0397","0.0374","","","0.0903","0.0916","","","","","","1.034","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239923","10.616","0.003","7.3808","0.0018","10.876","0.003","90","","100.629","0.004","90","","837.6","0.4","296","2","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 Cu N4 O7 S -","- C15 H14 Cu N4 O7 S -","- C30 H28 Cu2 N8 O14 S2 -","2","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0363","0.0284","","","0.06","0.0622","","","","","","1.051","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239949","9.8268","0.0007","15.4881","0.0011","10.5137","0.0007","90","","101.433","0.001","90","","1568.42","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Gd N9 O7 -","- C28 H28 Cu Gd N9 O7 -","- C56 H56 Cu2 Gd2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.025","0.0237","","","0.0738","0.0843","","","","","","1.083","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239950","9.862","0.003","15.473","0.005","10.493","0.003","90","","101.542","0.004","90","","1568.8","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Ho N9 O7 -","- C28 H28 Cu Ho N9 O7 -","- C56 H56 Cu2 Ho2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.0219","0.0212","","","0.0592","0.0597","","","","","","1.077","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239966","9.7048","0.0007","5.5085","0.0004","10.4326","0.0007","90","","108.56","0.004","90","","528.71","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-mephenoxalone","(R)-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","0.71073","MoKα","","0.065","0.041","","","0.0756","0.0811","","","","","","1.018","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7240042","4.515","0.0001","20.336","0.0005","13.1788","0.0004","90","","95.541","0.001","90","","1204.38","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Co O10 -","- C28 H20 Co O10 -","- C56 H40 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.029","0.0258","","","0.0577","0.0588","","","","","","1.081","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240043","10.7678","0.0012","43.169","0.005","14.1953","0.0016","90","","102.803","0.004","90","","6434.4","1.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0637","0.0509","","","0.1284","0.1348","","","","","","1.038","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240044","10.0826","0.0009","22.83","0.002","11.2518","0.0009","90","","101.852","0.003","90","","2534.8","0.4","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0943","0.0599","","","0.1451","0.1708","","","","","","1.055","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240045","4.5099","0.0001","20.3181","0.0007","13.1808","0.0005","90","","95.614","0.001","90","","1202","0.07","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 Co O10 -","- C28 H22 Co O10 -","- C56 H44 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0242","0.0228","","","0.0571","0.0578","","","","","","0.988","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240046","10.7966","0.0004","42.8603","0.0017","13.9138","0.0006","90","","101.311","0.002","90","","6313.5","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0959","0.0727","","","0.187","0.1992","","","","","","1.027","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240047","10.0363","0.0003","22.7634","0.0008","11.2352","0.0003","90","","101.676","0.001","90","","2513.68","0.13","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240051","9.5701","0.0001","7.7138","0.0002","11.0161","0.0002","90","","90.42","0.001","90","","813.21","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0226","0.0223","","","0.0577","0.0579","","","","","","1.053","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240052","9.5249","0.0001","9.1755","0.0001","24.7518","0.0003","90","","95.845","0.001","90","","2151.95","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H38 N2 O3 -","- C22 H38 N2 O3 -","- C88 H152 N8 O12 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0287","0.0282","","","0.0792","0.0806","","","","","","1.031","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240103","10.156","0.002","11.413","0.002","11.888","0.002","90","","111.69","0.03","90","","1280.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H38 N6 O8 -","- C19 H38 N6 O8 -","- C38 H76 N12 O16 -","2","1","","Locarno, Silvia; Argentiere, Simona; Ruffoni, Alessandro; Maggioni, Daniela; Soave, Raffaella; Bucci, Raffaella; Erba, Emanuela; Lenardi, Cristina; Gelmi, Maria Luisa; Clerici, Francesca","Self-assembled hydrophobic Ala-Aib peptide encapsulating curcumin: a convenient system for water insoluble drugs","RSC Advances","2020","10","17","9964","9975","10.1039/C9RA10981A","","","0.71073","MoKα","","0.0931","0.0417","","","0.0976","0.12","","","","","","0.962","","","","has coordinates","258047","2020-10-21","18:00:00",""
"7240160","10.1043","0.0008","12.8257","0.0009","12.9176","0.0009","90","","104.397","0.008","90","","1621.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl7 N O2 -","- C30 H26 Cl7 N O2 -","- C60 H52 Cl14 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","x-ray","0.71073","MoKα","","0.107","0.0895","","","0.2242","0.2535","","","","","","1.047","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240191","9.4436","0.0006","9.3899","0.0006","11.6167","0.0008","90","","91.155","0.006","90","","1029.9","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C36 H52 N4 O16 -","2","1","","Wang, Hao; Tian, Di; Meng, Zhaoxiang; Chen, Zhihao; Xue, Fei; Liu, Xiao-Yu; Song, Hao; Qin, Yong","Synthetic progress toward the marine natural product zamamiphidin A","RSC Advances","2020","10","20","11903","11906","10.1039/D0RA01580F","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.0951","0.1109","","","","","","1.066","","","","has coordinates,has disorder","258077","2020-10-21","18:00:00",""
"7240194","12.757","0.002","4.129","0.0008","4.1284","0.0009","90","","90.058","0.016","90","","217.46","0.07","303","","303","","","","","","","","mechanochemical synthesis","5","P 1 21 1","P 2yb","4","lead fluorine acetate","","lead fluorine acetate","- C2 H3 F O2 Pb -","- C2 H3 F O2 Pb -","- C4 H6 F2 O4 Pb2 -","2","1","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.6","3.35","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240246","16.179","0.002","8.8178","0.0015","17.233","0.002","90","","103.819","0.013","90","","2387.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","El-Harairy, Ahmed; Shaheen, Mennatallah; Li, Jun; Wu, Yuzhou; Li, Minghao; Gu, Yanlong","Synthesis of α-indolylacrylates as potential anticancer agents using a Brønsted acid ionic liquid catalyst and the butyl acetate solvent","RSC Advances","2020","10","23","13507","13516","10.1039/D0RA00990C","","x-ray","0.71073","MoKα","","0.0787","0.0732","","","0.199","0.2059","","","","","","1.07","","","","has coordinates","258111","2020-10-21","18:00:00",""
"7240346","4.3139","0.0002","25.5732","0.0014","9.571","0.0005","90","","102.074","0.002","90","","1032.52","0.09","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0624","0.0411","","","0.0786","0.0844","","","","","","1.021","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240351","15.1772","0.0005","6.7889","0.0003","19.209","0.0007","90","","99.773","0.003","90","","1950.51","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H21 Bi -","- C25 H21 Bi -","- C100 H84 Bi4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0591","0.0533","","","0.1422","0.1489","","","","","","1.092","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240369","15.8711","0.0006","8.04111","0.00018","16.4342","0.0005","90","","117.058","0.004","90","","1867.79","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-Homo-N-2'-deoxy-alfa-adenosine","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C66 H90 N30 O18 -","6","3","","Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel","Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity","RSC Advances","2020","10","27","15815","15824","10.1039/D0RA03254A","","x-ray","1.54184","CuKα","","0.0485","0.0424","","","0.1102","0.1183","","","","","","1.037","","","","has coordinates","257988","2020-10-21","18:00:00",""
"7240376","16.3345","0.0007","43.377","0.0019","22.8979","0.0011","90","","93.6564","0.0018","90","","16191.1","1.3","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C288 H312 K23 Mo40 Na6 O478 P16 -","2","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0551","0.0531","","","0.1458","0.1478","","","","","","1.028","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240420","13.344","0.003","8.2595","0.0017","24.392","0.005","90","","103.25","0.03","90","","2616.8","1","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N14 O14 -","- C14 H24 N14 O14 -","- C56 H96 N56 O56 -","4","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0785","0.0591","","","0.1434","0.1552","","","","","","1","","","","has coordinates,has disorder","251254","2020-10-21","18:00:00",""
"7240459","11.1817","0.0005","13.2215","0.0005","11.5412","0.0004","90","","91.649","0.002","90","","1705.53","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C44 H72 Au2 I4 N6 S12 -","2","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0831","0.0509","","","0.0946","0.1078","","","","","","1.028","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240471","7.6333","0.0008","11.2359","0.0011","18.1058","0.0018","90","","99.64","0.005","90","","1531","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethane]","","- C28 H32 F2 N8 O6 S2 -","- C28 H32 F2 N8 O6 S2 -","- C56 H64 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0325","0.0292","","","0.0677","0.07","","","","","","1.024","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240472","7.4883","0.0007","11.2957","0.0011","18.1735","0.0018","90","","100.406","0.005","90","","1511.9","0.3","298.15","","298.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethylene]","","- C28 H30 F2 N8 O6 S2 -","- C28 H30 F2 N8 O6 S2 -","- C56 H60 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0427","0.0369","","","0.0838","0.0869","","","","","","1.059","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240473","7.5024","0.0008","11.2194","0.0011","18.2134","0.0018","90","","100.538","0.005","90","","1507.2","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4-azopyridine]'","","- C26 H27 F2 N10 O6 S2 -","- C26 H27 F2 N10 O6 S2 -","- C52 H54 F4 N20 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0591","0.0487","","","0.1106","0.1157","","","","","","1.073","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240474","7.4668","0.001","9.67","0.0014","26.187","0.004","90","","90.087","0.004","90","","1890.8","0.5","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4,4'-bipyridine]","","- C36 H38 F2 N10 O7 S2 -","- C36 H38 F2 N10 O7 S2 -","- C72 H76 F4 N20 O14 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0633","0.0559","","","0.1267","0.1307","","","","","","1.0385","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240541","8.6168","0.0004","6.7974","0.0003","13.2395","0.0005","90","","99.344","0.004","90","","765.17","0.06","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","carbocyclic nucleoside","(1S,2R,3R,5R)-5-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(hydroxymethyl)-3-methyl-4-methylenecyclopentane-1,2-diol","","- C14 H17 Cl N4 O3 -","- C14 H17 Cl N4 O3 -","- C28 H34 Cl2 N8 O6 -","2","1","","Samunuri, Ramakrishnamraju; Toyama, Masaaki; Pallaka, Renuka Sivasankar; Neeladri, Seshubabu; Jha, Ashok Kumar; Baba, Masanori; Bal, Chandralata","Synthesis and anti-HBV activity of carbocyclic nucleoside hybrids with salient features of entecavir and aristeromycin","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00059K","","","0.71073","MoKα","","0.037","0.0323","","","0.0755","0.0792","","","","","","1.043","","","","has coordinates","252079","2020-10-21","18:00:00",""
"7240554","8.9253","0.00009","13.08371","0.00015","9.80866","0.0001","90","","93.4553","0.0009","90","","1143.33","0.02","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","condelphine","","","- C25 H39 N O6 -","- C25 H39 N O6 -","- C50 H78 N2 O12 -","2","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0301","0.0299","","","0.0757","0.0759","","","","","","1.062","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240566","4.9667","0.0006","8.441","0.0011","13.941","0.0018","90","","95.899","0.004","90","","581.37","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-(bis(/m-2-beta-Alanine)-lithium perchlorate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C12 H28 Cl2 Li2 N4 O16 -","2","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0264","0.0258","","","0.0644","0.0648","","","","","","1.081","","","","has coordinates,has disorder","252267","2020-10-21","18:00:00",""
"7240594","8.66205","0.00005","14.39226","0.00006","9.94738","0.00004","90","","90.8062","0.0004","90","","1239.98","0.01","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","6-ethyl-4-hydroxy-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)pyrimidin-1-ium","","- C10 H15 Cl N4 O3 -","- C10 H15 Cl N4 O3 -","- C40 H60 Cl4 N16 O12 -","4","2","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","1.54184","CuKα","","0.0258","0.0242","","","0.0589","0.0604","","","","","","1.069","","","","has coordinates","252561","2020-10-21","18:00:00",""
"7240605","10.7439","0.0005","13.6989","0.0006","38.1228","0.0019","90","","93.002","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Gallic acid cocrystal","","- C123 H206 O9 -","- C123 H206 O9 -","- C246 H412 O18 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1117","0.0897","","","0.2458","0.2775","","","","","","1.053","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240606","9.439","0.002","7.5391","0.0016","39.635","0.008","90","","95.216","0.006","90","","2808.8","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H108 O5 -","- C61 H108 O5 -","- C122 H216 O10 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3086","0.0446","","","0.0582","0.092","","","","","","0.743","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240609","26.373","0.003","7.4971","0.0007","27.183","0.003","90","","92.569","0.006","90","","5369.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Propionic acid hydrate cocrystal form II","","- C119 H208 O7 -","- C119 H208 O7 -","- C238 H416 O14 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3448","0.1012","","","0.1599","0.2356","","","","","","0.95","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240630","5.478","0.0015","5.2268","0.0015","12.296","0.003","90","","99.28","0.05","90","","347.46","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,5-Dinitrophenol","2,5-Dinitrophenol","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C12 H8 N4 O10 -","2","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1033","0.0771","","","0.1764","0.2074","","","","","","1.108","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240648","7.0189","0.0003","5.7569","0.0002","15.9662","0.0008","90","","98.694","0.002","90","","637.73","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O5 P2 -","- C9 H17 N O5 P2 -","- C18 H34 N2 O10 P4 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0375","0.0308","","","0.0734","0.0761","","","","","","1.043","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240656","3.717","0.002","12.459","0.006","7.693","0.004","90","","95.512","0.007","90","","354.6","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","1","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0419","0.0327","","","0.0672","0.07","","","","","","1","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240657","3.9924","0.0008","12.192","0.002","7.7023","0.0015","90","","95.44","0.03","90","","373.22","0.12","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H4 K N7 O -","- C4 H4 K N7 O -","- C8 H8 K2 N14 O2 -","2","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0281","0.0279","","","0.0736","0.0738","","","","","","1.042","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240683","5.5616","0.0003","17.9003","0.0013","15.541","0.0009","90","","94.111","0.005","90","","1543.19","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1515","0.0684","","","0.1188","0.1447","","","","","","1.004","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240685","9.3748","0.0002","9.6012","0.0002","12.5616","0.0003","90","","104.848","0.002","90","","1092.91","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O -","- C24 H30 N4 O -","- C48 H60 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0627","0.0519","","","0.1233","0.1321","","","","","","1.014","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240686","8.6","0.003","9.896","0.004","11.88","0.003","90","","106.38","0.02","90","","970","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C42 H52 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0508","0.0491","","","0.1291","0.1311","","","","","","1.094","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240687","9.8292","0.0002","12.6358","0.0004","10.1195","0.0002","90","","94.835","0.002","90","","1252.37","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0502","0.0451","","","0.1169","0.1207","","","","","","1.033","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240689","9.6282","0.0001","13.8844","0.0002","11.73","0.0001","90","","102.913","0.001","90","","1528.43","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.0881","0.0747","","","0.1979","0.2109","","","","","","1.037","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240694","10.0504","0.0006","24.8719","0.0007","10.3198","0.0006","90","","114.323","0.007","90","","2350.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N5 O2 -","- C23 H39 N5 O2 -","- C92 H156 N20 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1263","0.1049","","","0.2918","0.3114","","","","","","1.255","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240696","5.4173","0.0001","13.9827","0.0002","12.3897","0.0002","90","","91.254","0.001","90","","938.28","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0292","0.0278","","","0.0676","0.0682","","","","","","1.039","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240697","9.7687","0.0005","21.9014","0.0012","13.182","0.0007","90","","89.865","0.005","90","","2820.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H84 N12 O12 -","- C44 H82 N12 O12 -","- C88 H164 N24 O24 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.2136","0.0743","","","0.1561","0.1955","","","","","","0.676","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240699","15.4703","0.001","5.1282","0.0002","19.1266","0.0013","90","","112.939","0.005","90","","1397.41","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1551","0.0633","","","0.1323","0.1584","","","","","","0.861","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240703","12.447","0.0004","12.0122","0.0005","24.2818","0.0006","90","","102.043","0.002","90","","3550.6","0.2","35","2","35","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H45 N8 O2 -","- C36 H44 N8 O2 -","- C144 H176 N32 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1077","0.0721","","","0.1755","0.1969","","","","","","0.918","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240726","7.8528","0.0001","5.5451","0.0001","10.9223","0.0002","90","","96.394","0.007","90","","472.648","0.015","16.5","1","16.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0195","0.0195","","0.0171","0.0171","","","","2.5401","2.5401","2.5401","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240727","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.354","synchrotron","","0.0204","0.0204","","0.0213","0.0213","","","","0.8688","0.8688","0.8688","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240729","9.9819","0.0006","7.1284","0.0004","11.8414","0.0007","90","","114.07","0.002","90","","769.31","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C24 H30 N14 O14 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0637","0.0522","","","0.1176","0.1263","","","","","","1.147","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240740","10.1954","0.001","21.104","0.002","10.7666","0.001","90","","102.835","0.003","90","","2258.7","0.4","123","","123","","","","","","","","Sarah Keller","7","P 1 21 1","P 2yb","4","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C102 H88 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0195","0.0195","","0.022","0.022","0.0219","","","","","","1.0919","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240825","9.7066","0.0006","8.1806","0.0004","10.371","0.0006","90","","114.199","0.007","90","","751.15","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 Cu N4 O6 -","- C11 H20 Cu N4 O6 -","- C22 H40 Cu2 N8 O12 -","2","1","","Smokrovic, Kristina; Đilović, Ivica; Matkovic-Calogovic, Dubravka","The affinity of copper(II) ions towards L-amino acids in the solid-state: a simple route towards mixed complexes","CrystEngComm","2020","","","","","10.1039/D0CE00687D","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0781","0.0815","","","","","","1.027","","","","has coordinates,has disorder","253706","2020-10-21","18:00:00",""
"7241043","6.0678","0.0006","16.401","0.002","11.9151","0.0011","90","","98.556","0.007","90","","1172.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.1203","0.0698","","","0.1546","0.1928","","","","","","1.028","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241202","12.9799","0.0006","12.19","0.0007","15.9375","0.0008","90","","102.703","0.005","90","","2460","0.2","100","","100","","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","[Tbu]ASC","","- C43 H68 N10 O8 S2 -","- C43 H68 N10 O8 S2 -","- C86 H136 N20 O16 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","1.54178","CuKα","","0.1108","0.0993","","","0.2545","0.2599","","","","","","0.858","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241226","8.352","0.0009","5.7066","0.0006","22.623","0.002","90","","91.45","0.003","90","","1077.9","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C44 H48 O20 -","- C44 H48 O20 -","- C44 H48 O20 -","1","0.5","","Wang, Pei-Long; Shen, Hui-Zhi; Cheng, Hui-Hui; Gao, Hui; Li, Pin-Hua","Electrochemical esterification reaction of alkynes with diols via cleavage of carbon‒carbon triple bonds without catalyst and oxidant","Green Chemistry","2020","22","20","6783","6791","10.1039/D0GC02193H","","","0.71073","MoKα","","0.0594","0.045","","","0.135","0.1507","","","","","","0.961","","","","has coordinates","258876","2020-11-06","12:32:51",""
"7241259","9.0576","0.001","28.632","0.002","10.5799","0.001","90","","100.212","0.01","90","","2700.3","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H10 I4 S10 -","- C16 H10 I4 S10 -","- C64 H40 I16 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0858","0.0718","","","0.1521","0.1608","","","","","","1.107","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241261","8.9303","0.0006","14.691","0.0009","7.979","0.0005","90","","95.994","0.004","90","","1041.08","0.12","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H0.25 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","2","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0969","0.0717","","","0.1793","0.194","","","","","","1.037","","","","has coordinates","256514","2020-10-21","18:00:00",""
"7241278","13.24395","0.00006","15.4088","0.00009","18.44394","0.00011","90","","90.3886","0.0005","90","","3763.83","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H80 N6 O6 -","- C94 H80 N6 O6 -","- C188 H160 N12 O12 -","2","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0384","0.0367","","","0.0996","0.1012","","","","","","1.05","","","","has coordinates","259628","2020-12-06","14:55:12",""
"7241297","10.2758","0.0006","14.8286","0.0008","18.2612","0.001","90","","99.346","0.003","90","","2745.6","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H63 N8 O15 P S -","- C50 H63 N8 O15 P S -","- C100 H126 N16 O30 P2 S2 -","2","1","","Radzikowska, Ewa; Kaczmarek, Renata; Korczyński, Dariusz; Krakowiak, Agnieszka; Mikołajczyk, Barbara; Baraniak, Janina; Guga, Piotr; Wheeler, Kraig A.; Pawlak, Tomasz; Nawrot, Barbara","P-stereocontrolled synthesis of oligo(nucleoside N3′\ρightarrow O5′ phosphoramidothioate)s ‒ opportunities and limitations","RSC Advances","2020","10","58","35185","35197","10.1039/D0RA04987E","","x-ray","1.54178","CuKα","","0.1227","0.1196","","","0.3665","0.3702","","","","","","1.802","","","","has coordinates,has disorder","256707","2020-10-21","18:00:00",""
"7241342","8.194","0.015","19.75","0.04","14.33","0.03","90","","92.072","0.017","90","","2318","8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br6 N2 O Pb2 -","- C9 H21 Br6 N2 O Pb2 -","- C36 H84 Br24 N8 O4 Pb8 -","4","2","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0778","0.0361","","","0.0535","0.0621","","","","","","0.952","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241347","13.7013","0.0006","6.4058","0.0004","17.3373","0.001","90","","96.021","0.005","90","","1513.26","0.15","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N6 O8 P -","- C28 H33 N6 O8 P -","- C56 H66 N12 O16 P2 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the solubility and bioavailability of anti-hepatitis B drug PEC via PEC‒fumaric acid cocrystal","RSC Advances","2020","10","59","36125","36134","10.1039/D0RA06608G","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.0985","0.1093","","","","","","1.024","","","","has coordinates","256974","2020-10-21","18:00:00",""
"7241415","10.9817","0.0006","5.3645","0.0003","14.6541","0.0009","90","","109.547","0.006","90","","813.54","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","N-PhenylGly-Phe-OMe","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1009","0.1027","","","","","","1.048","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241452","6.9033","0.0007","21.7637","0.0019","7.8394","0.0006","90","","116.004","0.003","90","","1058.57","0.17","260","2","260","","","","","","","","","5","P 1 21 1","P 2yb","4","","DOST","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Yu, Zhe; Wang, Tianhua; Wang, Guanjun; Xu, Kai; Cui, Qingtang; Cao, Lifeng; Teng, Bing","Synthesis, growth, structure analysis and performance characterization of DOST crystal: a nonlinear functional material with a wide range of applications","CrystEngComm","2020","","","","","10.1039/D0CE01243B","","","0.71073","MoKα","","0.0798","0.0499","","","0.0933","0.1078","","","","","","1.054","","","","has coordinates","259286","2020-11-29","02:25:26",""
"7241496","7.1053","0.0002","7.9388","0.0003","18.2289","0.0006","90","","96.723","0.001","90","","1021.18","0.06","240","2","240.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F N5 O3 -","- C20 H26 F N5 O3 -","- C40 H52 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54184","CuKα","","0.0363","0.034","","","0.0879","0.0908","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:20",""
"7241497","6.9625","0.0002","7.9457","0.0002","17.9395","0.0005","90","","94.339","0.001","90","","989.6","0.05","241","2","240.83","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N5 O3 -","- C19 H24 F N5 O3 -","- C38 H48 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0302","0.0293","","","0.0736","0.0746","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241498","7.1057","0.0002","7.8894","0.0002","15.5407","0.0004","90","","97.325","0.001","90","","864.1","0.04","240","2","240","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F N5 O2 -","- C18 H20 F N5 O2 -","- C36 H40 F2 N10 O4 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0294","0.0292","","","0.0787","0.079","","","","","","0.915","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241542","8.7415","0.0004","17.1309","0.0008","13.1531","0.0006","90","","95.007","0.003","90","","1962.16","0.16","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Br3 Cu3 N5 S4 -","- C34 H31 Br3 Cu3 N5 S4 -","- C68 H62 Br6 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.13","0.1047","","","0.2592","0.2926","","","","","","1.035","","","","has coordinates","261621","2021-02-04","23:02:29",""
"7241544","8.8353","0.0002","16.7129","0.0005","13.6256","0.0004","90","","99.427","0.002","90","","1984.83","0.1","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 Cu3 N6 S4 -","- C36 H34 Cl3 Cu3 N6 S4 -","- C72 H68 Cl6 Cu6 N12 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0697","0.0552","","","0.1542","0.1654","","","","","","1.032","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241548","8.7179","0.0009","16.8411","0.0017","12.8872","0.0013","90","","94.018","0.008","90","","1887.4","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 Cu3 N5 S4 -","- C34 H31 Cl4 Cu3 N5 S4 -","- C68 H62 Cl8 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.042","0.0386","","","0.0998","0.1017","","","","","","1.058","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241582","9.3613","0.0004","7.0465","0.0003","14.5134","0.0007","90","","103.023","0.002","90","","932.74","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N6 O4 -","- C19 H20 N6 O4 -","- C38 H40 N12 O8 -","2","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0539","0.0374","","","0.0812","0.087","","","","","","1.022","","","","has coordinates","261617","2021-02-04","23:01:45",""
"7241604","12.7125","0.0006","8.0135","0.0003","12.9098","0.0006","90","","91.92","0.002","90","","1314.4","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","colchicine","","- C28 H31 N O9 S -","- C28 H31 N O9 S -","- C56 H62 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0524","0.0406","","","0.0911","0.1","","","","","","1.08","","","","has coordinates","261584","2021-02-04","22:53:16",""
"7241607","12.858","0.003","8.1256","0.0019","13.356","0.003","90","","91.313","0.007","90","","1395.1","0.6","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","colchicine","Colchicine-AII2","","- C29 H33 N O9 S -","- C29 H33 N O9 S -","- C58 H66 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1155","0.0542","","","0.097","0.1199","","","","","","0.937","","","","has coordinates","261584","2021-02-04","22:54:05",""
"7241613","13.829","0.004","10.484","0.004","15.998","0.005","90","","110.885","0.006","90","","2167","1.2","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O15 -","- C44 H56 N2 O15 -","- C88 H112 N4 O30 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1701","0.076","","","0.1676","0.2126","","","","","","0.958","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241624","10.7532","0.0004","22.6105","0.0009","13.3665","0.0006","90","","93.588","0.004","90","","3243.5","0.2","100","0.11","100","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl N3 O6 -","- C33 H36 Cl N3 O6 -","- C132 H144 Cl4 N12 O24 -","4","2","","Cheng, Cheng; Li, Ying-Xian; Jia, Xue-Min; Zhang, Ji-Quan; Zhao, Yong-Long; Feng, Wei; Tang, Lei; Yang, Yuan-Yong","Enantioselective amination of 4-alkylisoquinoline-1,3(2H,4H)-dione derivatives","RSC Advances","2020","10","70","42912","42915","10.1039/D0RA07806A","","x-ray","1.54184","CuKα","","0.0785","0.075","","","0.2168","0.2191","","","","","","1.061","","","","has coordinates","259345","2020-11-30","04:58:26",""
"7241628","14.469","0.0008","8.495","0.0005","16.6496","0.001","90","","103.033","0.002","90","","1993.8","0.2","100","2","100","2","","","","","","","Streptomyces sp. DASNCL29","3","P 1 21 1","P 2yb","4","","Nigericin","","- C40 H66 O11 -","- C40 H68 O11 -","- C80 H136 O22 -","2","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0555","0.045","","","0.1019","0.1077","","","","","","1.046","","","","has coordinates","259347","2020-11-30","04:59:49",""
"7241658","13.5359","0.0014","5.1353","0.0006","13.931","0.002","90","","103.691","0.005","90","","940.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","EG607_200K","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C44 H48 N8 O4 -","2","1","","de Miguel, Gustavo; Garzón-Ruiz, Andrés; Navarro, Amparo; García-Frutos, Eva M.","Synthesis and photophysical studies of an indigo derivative: N-octyl-7,7′-diazaindigo","RSC Advances","2020","10","69","42014","42020","10.1039/D0RA06451C","","","0.71073","MoKα","","0.1391","0.064","","","0.1181","0.164","","","","","","1.041","","","","has coordinates","259576","2020-12-06","08:34:39",""
"7241674","7.2577","0.0003","17.3639","0.0008","13.362","0.0006","90","","95.789","0.002","90","","1675.32","0.13","136","2","136","2","","","","","","","plant Crepis sancta, family Asteraceae, collected Southern Jordan","3","P 1 21 1","P 2yb","4","chrysosplentin","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","2","","Ebada, Sherif S.; Al-Jawabri, Nariman A.; Youssef, Fadia S.; El-Kashef, Dina H.; Knedel, Tim-Oliver; Albohy, Amgad; Korinek, Michal; Hwang, Tsong-Long; Chen, Bing-Hung; Lin, Guan-Hua; Lin, Chia-Yi; Aldalaien, Sa'ed M.; Disi, Ahmad M.; Janiak, Christoph; Proksch, Peter","Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: identification, structure‒activity relationships, molecular modeling and impact on its folk medicinal uses","RSC Advances","2020","10","62","38128","38141","10.1039/D0RA04876C","","","0.71073","MoKα","","0.0693","0.0475","","","0.0987","0.1112","","","","","","1.043","","","","has coordinates","259586","2020-12-06","08:40:38",""
"7241691","13.2192","0.0007","10.713","0.0005","13.2447","0.0007","90","","112.909","0.002","90","","1727.73","0.15","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0475","0.0333","","","0.0558","0.0584","","","","","","1.038","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241692","13.1734","0.0007","10.6736","0.0006","13.2327","0.0007","90","","112.887","0.002","90","","1714.14","0.16","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0612","0.0373","","","0.053","0.057","","","","","","1.005","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241734","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.029","0.025","","","","0.048","0.037","","","","","1.023","","","","has coordinates","261606","2021-02-04","22:59:04",""
"7241735","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.0377","0.0352","","","0.0864","0.0882","","","","","","1.12","","","","has coordinates","261606","2021-02-04","22:59:07",""
"7241737","7.5794","0.0004","5.6975","0.0003","21.4258","0.0009","90","","97.914","0.004","90","","916.43","0.08","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;4,4'-Bipyridine","","- C22 H19 N5 -","- C22 H19 N5 -","- C44 H38 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0537","0.0514","","","0.1487","0.1516","","","","","","1.054","","","","has coordinates","259731","2020-12-10","03:35:49",""
"7241738","7.73","0.0006","5.6677","0.0004","23.0411","0.0014","90","","91.233","0.006","90","","1009.23","0.12","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;1,2-bis(4-pyridyl)ethane","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.1033","0.0715","","","0.1964","0.2223","","","","","","1.041","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241739","7.9177","0.0016","5.9154","0.0012","19.843","0.004","90","","90.84","0.03","90","","929.3","0.3","113","2","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene; 4-Pyrrolidinopyridine","","- C21 H23 N5 -","- C21 H23 N5 -","- C42 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.0647","0.0471","","","0.1059","0.116","","","","","","0.974","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241741","14.329","0.0009","5.8217","0.0004","18.5725","0.0012","90","","93.903","0.002","90","","1545.71","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","1","0.5","","Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh","A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand","CrystEngComm","2021","23","4","824","830","10.1039/D0CE01517B","","","0.71073","MoKα","","0.0551","0.0387","","","0.0571","0.0628","","","","","","1.067","","","","has coordinates","261609","2021-02-04","22:59:31",""
"7241787","9.9455","0.0003","8.2022","0.0003","15.9136","0.0006","90","","93.461","0.002","90","","1295.78","0.08","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Posada, Laura; Davyt, Danilo; Serra, Gloria","First total synthesis of versicotide A, B and C","RSC Advances","2020","10","71","43653","43659","10.1039/D0RA09635K","","","1.54178","CuKα","","0.0522","0.0442","","","0.1125","0.121","","","","","","1.059","","","","has coordinates","259808","2020-12-11","05:23:32",""
"7241877","6.5114","0.0001","11.3829","0.0002","8.3439","0.0002","90","","90.773","0.002","90","","618.38","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H10 Mn O15 S2 U -","- H10 Mn O15 S2 U -","- H20 Mn2 O30 S4 U2 -","2","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0171","0.0163","","","0.0398","0.0401","","","","","","1.038","","","","has coordinates","262567","2021-03-05","01:45:12",""
"7241890","4.0553","0.0001","11.2233","0.0002","11.6686","0.0003","90","","93.193","0.002","90","","530.26","0.02","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0207","0.0196","","","0.0458","0.0465","","","","","","1.08","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241893","21.7453","0.0006","10.7363","0.0002","25.254","0.0007","90","","106.562","0.003","90","","5651.3","0.3","110.1","0.3","110.1","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C264 H264 O72 -","12","6","","Yu, Xuan; Lan, Wenjie; Li, Jiaqi; Bai, Hui; Qin, Zhaohai; Fu, Bin","Enantioselective one-pot synthesis of 4H-chromene derivatives catalyzed by a chiral Ni(ii) complex","RSC Advances","2020","10","72","44437","44441","10.1039/D0RA08906K","","x-ray","1.54184","CuKα","","0.0649","0.0615","","","0.1652","0.1688","","","","","","1.06","","","","has coordinates","260011","2020-12-19","06:02:21",""
"7241971","7.5488","0.0002","18.0321","0.0006","11.5759","0.0004","90","","91.052","0.006","90","","1575.45","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N9 O6 S2 -","- C26 H19 N9 O6 S2 -","- C52 H38 N18 O12 S4 -","2","1","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0693","0.0517","","","0.1494","0.154","","","","","","1.079","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241995","5.8453","0.0012","21.435","0.005","13.955","0.003","90","","95.506","0.003","90","","1740.4","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM;CYCLIC AMP SODIUM SALT; 3',5'-CYCLIC AMP NA","Adenosine 3',5'-Cyclic Monophosphate Sodium Salt Hydrate","","- C20 H38 N10 Na2 O20 P2 -","- C20 H38 N10 Na2 O20 P2 -","- C40 H76 N20 Na4 O40 P4 -","2","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0268","0.026","","","0.0657","0.0665","","","","","","1.07","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7242032","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","262584","2021-03-05","01:48:17",""
"7242089","14.0276","0.0008","7.865","0.0004","14.9871","0.0008","90","","115.475","0.002","90","","1492.72","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.0633","0.0457","","","0.1072","0.1137","","","","","","1.105","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242101","9.0605","0.0006","14.3095","0.0009","15.1659","0.001","90","","104.665","0.001","90","","1902.2","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Cu N4 O9 -","- C40 H36 Cu N4 O9 -","- C80 H72 Cu2 N8 O18 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1146","0.0612","","","0.1418","0.1682","","","","","","1.006","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242167","8.632","0.007","19.326","0.019","12.434","0.008","90","","97.75","0.03","90","","2055","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C62 H90 Co2 N10 O8 P4 S8 -","2","1","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1152","0.068","","","0.1507","0.1737","","","","","","0.958","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242178","7.1728","0.0004","11.1002","0.0007","19.361","0.0012","90","","100.265","0.002","90","","1516.84","0.16","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O10 S2 -","- C22 H38 N8 O10 S2 -","- C44 H76 N16 O20 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.039","0.0336","","","0.0762","0.0785","","","","","","1.025","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242182","7.4737","0.0006","11.8491","0.0011","13.0179","0.0013","90","","93.723","0.003","90","","1150.39","0.18","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H28 N10 O9 S2 -","- C9 H28 N10 O9 S2 -","- C18 H56 N20 O18 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.034","0.0297","","","0.068","0.0701","","","","","","1.056","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242235","11.3208","0.0002","8.58917","0.00016","13.192","0.0003","90","","108.388","0.002","90","","1217.25","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-hydroxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C56 H64 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.0997","0.1042","","","","","","1.06","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242239","11.036","0.0008","11.6239","0.0006","11.4808","0.001","90","","118.259","0.011","90","","1297.2","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-methoxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C60 H72 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0541","0.0525","","","0.1382","0.1411","","","","","","1.044","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242254","21.8547","0.0005","15.3407","0.0002","23.4512","0.0006","90","","97.198","0.002","90","","7800.4","0.3","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C130 H78 F36 Lu2 O16 P4 -","- C130 H78 F36 Lu2 O16 P4 -","- C260 H156 F72 Lu4 O32 P8 -","2","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0664","0.053","","","0.1339","0.1417","","","","","","1.025","","","","has coordinates","261880","2021-02-11","05:32:10",""
"7242319","16.581","0.006","9.216","0.003","25.101","0.009","90","","90.099","0.011","90","","3836","2","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,5-bis(4-((2,7-diethyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.0616","0.0464","","","0.1073","0.1203","","","","","","1.092","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242321","16.5329","0.0004","9.1211","0.0002","24.9977","0.0006","90","","90.694","0.001","90","","3769.33","0.15","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.0945","0.071","","","0.1836","0.2066","","","","","","1.038","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242341","4.7565","0.0002","25.9753","0.0013","6.1401","0.0003","90","","94.072","0.003","90","","756.7","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C30 H44 O12 -","2","1","","Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.","Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials","RSC Advances","2021","11","16","9410","9420","10.1039/D1RA00804H","","","0.71073","MoKα","","0.0509","0.0446","","","0.1183","0.124","","","","","","1.032","","","","has coordinates","262379","2021-03-03","06:36:51",""
"7242352","5.4511","0.0004","8.7712","0.0005","21.3404","0.0012","90","","90.438","0.004","90","","1020.31","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0525","0.0496","","","0.1507","0.1539","","","","","","1.074","","","","has coordinates","268680","2021-09-06","10:31:08",""
"7242354","5.3605","0.0004","10.0888","0.0008","21.47","0.0016","90","","97.129","0.005","90","","1152.14","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0666","0.0607","","","0.1594","0.165","","","","","","1.076","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242356","8.8941","0.0002","11.081","0.0003","25.582","0.0007","90","","93.029","0.001","90","","2517.72","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","2","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0896","0.0875","","","0.2505","0.2544","","","","","","1.044","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242422","11.763","0.014","36.82","0.04","13.119","0.016","90","","96.406","0.011","90","","5647","11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 Li2 O10 -","- C60 H88 Li2 O10 -","- C240 H352 Li8 O40 -","4","2","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.6889","synchrotron","","0.1922","0.1497","","","0.4003","0.4514","","","","","","1.047","","","","has coordinates","263110","2021-03-18","05:32:49",""
"7242578","3.8994","0.0002","21.1784","0.0011","8.9913","0.0005","90","","102.301","0.0017","90","","725.48","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C30 H26 N10 O10 -","2","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0437","0.041","","","0.0888","0.0913","","","","","","1.073","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242582","10.5286","0.0017","12.809","0.002","11.1106","0.0019","90","","100.022","0.005","90","","1475.5","0.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","Remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","","0.71073","MoKα","","0.0622","0.0576","","","0.1508","0.1554","","","","","","1.074","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242615","5.9149","0.0002","8.0004","0.0002","11.2008","0.0003","90","","101.679","0.003","90","","519.07","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br2 O2 -","- C9 H10 Br2 O2 -","- C18 H20 Br4 O4 -","2","1","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","0.71073","MoKα","","0.0329","0.03","","","0.0693","0.0706","","","","","","1.058","","","","has coordinates","263964","2021-04-08","04:24:31",""
"7242638","9.0476","0.0008","8.5404","0.0008","11.4193","0.0011","90","","113.152","0.006","90","","811.31","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C34 H26 Cl4 N2 O4 S2 -","2","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.0744","0.0458","","","0.0884","0.1025","","","","","","1.027","","","","has coordinates","265991","2021-06-05","18:20:11",""
"7242700","11.6933","0.0006","19.4475","0.0009","15.7924","0.0007","90","","104.568","0.005","90","","3475.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75 H59 Cl9 Ir2 N6 O4 -","- C75 H59 Cl9 Ir2 N6 O4 -","- C150 H118 Cl18 Ir4 N12 O8 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","x-ray","0.71073","MoKα","","0.0853","0.0597","","","0.1279","0.1396","","","","","","1.015","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242702","10.9116","0.0009","12.8156","0.0008","11.1952","0.001","90","","116.915","0.011","90","","1395.9","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Ir N3 O2 -","- C36 H28 Ir N3 O2 -","- C72 H56 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0538","0.0501","","","0.1239","0.1296","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242712","10.5542","0.0002","17.6038","0.0004","16.6076","0.0003","90","","91.163","0.002","90","","3084.96","0.11","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H54 Ir2 N6 O4 -","- C72 H53 Ir2 N6 O4 -","- C144 H106 Ir4 N12 O8 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0348","0.0334","","","0.094","0.0951","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242772","8.34","0.002","25.809","0.007","10.622","0.003","90","","94.689","0.007","90","","2278.7","1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1506","0.0765","","","0.1482","0.1784","","","","","","1.022","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242819","10.51","0.04","12.83","0.14","11.14","0.1","90","","100.2","0.6","90","","1478","2","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H34 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2289","0.1564","","","0.359","0.4145","","","","","","1.02","","","","has coordinates","265167","2021-05-13","04:03:55",""
"7242820","10.35","0.07","12.5","0.2","11.52","0.18","90","","103.7","0.7","90","","1448","3","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2348","0.1582","","","0.3548","0.4009","","","","","","1.027","","","","has coordinates","265167","2021-05-13","04:03:58",""
"7242821","10.03","0.07","12.2","0.2","11.44","0.18","90","","104.4","0.7","90","","1356","3","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2346","0.1592","","","0.3599","0.4041","","","","","","1.033","","","","has coordinates","265167","2021-05-13","04:03:59",""
"7242822","10.21","0.04","12.49","0.14","10.85","0.1","90","","100.9","0.6","90","","1359","2","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H34 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2331","0.1609","","","0.368","0.4225","","","","","","1.042","","","","has coordinates","265167","2021-05-13","04:03:59",""
"7242850","5.713","0.003","14.125","0.005","10.254","0.004","90","","105.65","0.02","90","","796.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Cl5 N6 Sb -","- C8 H12 Cl5 N6 Sb -","- C16 H24 Cl10 N12 Sb2 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0254","0.0236","","","0.0522","0.0531","","","","","","1.081","","","","has coordinates,has disorder","265210","2021-05-14","04:22:07",""
"7242852","5.946","0.003","14.401","0.004","10.621","0.004","90","","105.31","0.02","90","","877.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Br5 N6 Sb -","- C8 H12 Br5 N6 Sb -","- C16 H24 Br10 N12 Sb2 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.025","0.0226","","","0.0487","0.0498","","","","","","1.099","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242856","6.4439","0.0003","7.6636","0.0004","20.6198","0.001","90","","95.354","0.004","90","","1013.83","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C42 H40 Br2 N2 O8 S2 -","2","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","x-ray","0.71073","MoKα","","0.0727","0.0683","","","0.1848","0.1911","","","","","","1.028","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242887","9.4244","0.0013","5.0509","0.0007","13.2982","0.0018","90","","100.928","0.002","90","","621.54","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0527","0.0518","","","0.1366","0.1376","","","","","","1.037","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242906","6.1285","0.0005","32.973","0.003","7.7602","0.0006","90","","108.863","0.003","90","","1483.9","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ochracine F","","- C30 H50 O11 -","- C30 H50 O11 -","- C60 H100 O22 -","2","1","","Zhao, Zhen-Zhu; Zhao, Qi-Lu; Feng, Wei-Sheng; He, Hai-Rong; Li, Meng; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Structure and absolute configuration assignments of ochracines F‒L, chamigrane and cadinane sesquiterpenes from the basidiomycete Steccherinum ochraceum HFG119","RSC Advances","2021","11","31","18693","18701","10.1039/D1RA03320D","","","1.54178","CuKα","","0.0615","0.0579","","","0.1595","0.1664","","","","","","1.049","","","","has coordinates","265479","2021-05-25","04:05:47",""
"7242935","9.7431","0.0003","6.9459","0.0002","12.1403","0.0004","90","","105.257","0.004","90","","792.63","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitro-1,2,3,4-tetrahydro-1,8,8-trimethyl-8H-fluoreno[4,5-bcd]azocine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.052","0.0462","","","0.0935","0.0961","","","","","","1.077","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242946","15.3849","0.0012","5.8934","0.0004","22.187","0.002","90","","110.051","0.004","90","","1889.7","0.3","299.59","","299.59","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 F3 N3 -","- C22 H18 F3 N3 -","- C88 H72 F12 N12 -","4","2","","Laurent, Mazarine; Bostyn, Stéphane; Marchivie, Mathieu; Robin, Yves; Routier, Sylvain; Buron, Frédéric","Aminations and arylations by direct C‒O activation for the design of 7,8-dihydro-6H-5,8-ethanopyrido[3,2-d]pyrimidines","RSC Advances","2021","11","32","19363","19377","10.1039/D1RA03092B","","","0.71073","MoKα","","0.082","0.0543","","","0.1351","0.1503","","","","","","1.043","","","","has coordinates,has disorder","265607","2021-05-29","04:23:52",""
"7243083","6.0837","0.0005","15.6412","0.0017","13.3288","0.0013","90","","98.927","0.006","90","","1253","0.2","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Ge N2 O4 -","- C32 H20 Ge N2 O4 -","- C64 H40 Ge2 N4 O8 -","2","1","","Shangin, Pavel G.; Krylova, Irina V.; Lalov, Andrey V.; Kozmenkova, Anna Y.; Saverina, Evgeniya A.; Buikin, Petr A.; Korlyukov, Alexander A.; Starikova, Alyona A.; Nikolaevskaya, Elena N.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Supramolecular D⋯A-layered structures based on germanium complexes with 2,3-dihydroxynaphthalene and N,N′-bidentate ligands","RSC Advances","2021","11","35","21527","21536","10.1039/D1RA02691G","","","0.71073","MoKα","","0.0898","0.0786","","","0.1812","0.187","","","","","","1.078","","","","has coordinates","266556","2021-06-18","04:15:43",""
"7243134","6.1846","0.0002","27.8403","0.0008","7.4558","0.0002","90","","109.007","0.003","90","","1213.76","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","GABA-L-tartaric acid (1:1) monohydrate","GABA-L-tartaric acid (1:1) monohydrate","","- C8 H17 N O9 -","- C8 H17 N O9 -","- C32 H68 N4 O36 -","4","2","","Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V.","A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water","CrystEngComm","2021","23","35","6086","6092","10.1039/D1CE00470K","","x-ray","0.71073","MoKα","","0.0629","0.0477","","","0.0937","0.1002","","","","","","1.024","","","","has coordinates,has disorder","269687","2021-10-06","14:54:03",""
"7243159","6.2831","0.001","6.0046","0.001","13.003","0.002","90","","91.56","0.003","90","","490.39","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H N9 O6 -","- C4 H N9 O6 -","- C8 H2 N18 O12 -","2","1","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0788","0.0511","","","0.1071","0.1175","","","","","","0.987","","","","has coordinates","267364","2021-07-08","04:36:33",""
"7243184","9.8512","0.0006","6.753","0.0004","11.4321","0.0007","90","","90.241","0.002","90","","760.52","0.08","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Cerium Thiophosphate","","- Ce P2 Rb3 S8 -","- Ce P2 Rb3 S8 -","- Ce2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0302","0.0262","","","0.0503","0.0515","","","","","","1.157","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243186","9.9053","0.0009","6.7376","0.0006","11.4553","0.001","90","","90.005","0.003","90","","764.5","0.12","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Lanthanum Thiophosphate","","- La P2 Rb3 S8 -","- La P2 Rb3 S8 -","- La2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0541","0.0493","","","0.0951","0.0983","","","","","","1.099","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243187","9.8265","0.0003","6.7613","0.0002","11.4228","0.0004","90","","90.2997","0.0012","90","","758.92","0.04","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Praseodymium Thiophosphate","","- P2 Pr Rb3 S8 -","- P2 Pr Rb3 S8 -","- P4 Pr2 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0373","0.0329","","","0.0527","0.0541","","","","","","1.181","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243243","9.637","0.0002","25.3851","0.0006","13.5859","0.0003","90","","90.277","0.006","90","","3323.56","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.1228","0.107","","","0.2808","0.301","","","","","","1.023","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243244","10.464","0.0006","10.4673","0.0007","29.8915","0.0016","90","","96.843","0.003","90","","3250.7","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-4-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(4-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.0974","0.0908","","","0.1842","0.1879","","","","","","1.136","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243247","9.0572","0.0009","29.711","0.003","12.6381","0.0013","90","","93.337","0.003","90","","3395.1","0.6","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.1934","0.0934","","","0.1687","0.2376","","","","","","1.018","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243337","10.6218","0.0004","9.6697","0.0004","14.1442","0.0005","90","","106.322","0.004","90","","1394.2","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N4 O12 S4 -","- C24 H28 N4 O12 S4 -","- C48 H56 N8 O24 S8 -","2","1","","Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed","Physico-chemical study of new supramolecular-architectured hybrid organic‒inorganic sulfates incorporating diammoniumdiphenylsulfone cations","RSC Advances","2021","11","42","26368","26378","10.1039/D1RA03696C","","x-ray","1.54184","CuKα","","0.0365","0.0329","","","0.0881","0.0919","","","","","","1.063","","","","has coordinates","267910","2021-08-03","04:58:32",""
"7243447","6.4519","0.0004","14.303","0.0009","11.4008","0.0006","90","","92.203","0.004","90","","1051.31","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 F12 O2 P -","- C20 H13 F12 O2 P -","- C40 H26 F24 O4 P2 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","","1.54178","CuKα","","0.0583","0.0508","","","0.1294","0.1345","","","","","","1.086","","","","has coordinates,has disorder","268224","2021-08-26","01:25:26",""
"7243453","6.633","0.0013","8.53","0.0017","19.929","0.004","90","","94.24","0.03","90","","1124.5","0.4","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O2 S -","- C24 H30 N4 O2 S -","- C48 H60 N8 O4 S2 -","2","1","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.61","synchrotron","","0.0583","0.0545","","","0.1556","0.1585","","","","","","1.051","","","","has coordinates","268334","2021-08-31","22:44:23",""
"7243493","9.706","0.0009","24.576","0.002","14.6471","0.0017","90","","109.129","0.004","90","","3300.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","yt_dsj2","","","- C17 H29 N O3 -","- C17 H25 N O3 -","- C136 H200 N8 O24 -","8","4","","Li, Wei; Zhao, Lin; Sun, Li-Tong; Xie, Ze-Ping; Zhang, Shu-Min; Yue, Xi-Dian; Dai, Sheng-Jun","Trinorlabdane diterpenoid alkaloids featuring an unprecedented skeleton with anti-inflammatory and anti-viral activities from Forsythia suspensa","RSC Advances","2021","11","47","29684","29689","10.1039/D1RA05760J","","","1.54178","CuKα","","0.1218","0.1145","","","0.3024","0.3132","","","","","","1.371","","","","has coordinates","269042","2021-09-08","01:21:07",""
"7243502","10.578","0.0008","5.739","0.0005","13.2053","0.001","90","","97.765","0.003","90","","794.31","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H19 O11 Y -","- C9 H19 O11 Y -","- C18 H38 O22 Y2 -","2","1","","Yapryntsev, A. D.; Baranchikov, A. E.; Churakov, A. V.; Kopitsa, G. P.; Silvestrova, A. A.; Golikova, M. V.; Ivanova, O. S.; Gorshkova, Yu. E.; Ivanov, V. K.","The first amorphous and crystalline yttrium lactate: synthesis and structural features","RSC Advances","2021","11","48","30195","30205","10.1039/D1RA05923H","","","0.71073","MoKα","","0.0727","0.0667","","","0.1523","0.1561","","","","","","1.122","","","","has coordinates","269084","2021-09-10","01:21:06",""
"7243571","7.6292","0.0015","18.955","0.004","27.164","0.005","90","","91.56","0.03","90","","3926.8","1.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl (1R,2S,6S)-1-acetyl-2-hydroxy-6-(2-(naphthalen-2-yl)-2-oxoethyl)-5-oxocyclohex-3-ene-1-carboxylate","","- C115 H110 O30 -","- C92 H86 O24 -","- C184 H172 O48 -","2","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.2201","0.1254","","","0.2485","0.2908","","","","","","1.072","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243574","12.4314","0.0016","5.0981","0.0007","20.634","0.003","90","","106.37","0.004","90","","1254.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0343","0.0341","","","0.0913","0.0915","","","","","","1.034","","","","has coordinates","269268","2021-09-23","22:49:26",""
"7243671","13.247","0.006","7.6192","0.0016","15.469","0.01","90","","92.42","0.06","90","","1559.9","1.3","394","2","394","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl N6 O5 S -","- C30 H31 Cl N6 O5 S -","- C60 H62 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.4052","0.0956","","","0.1217","0.2293","","","","","","0.961","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243675","14.5891","0.0008","7.5159","0.0003","15.6522","0.0009","90","","113.725","0.007","90","","1571.22","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H35 Cl N6 O6 S -","- C31 H35 Cl N6 O6 S -","- C62 H70 Cl2 N12 O12 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.0616","0.0509","","","0.0961","0.1059","","","","","","1.045","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243743","7.1067","0.0003","12.2043","0.0005","9.3734","0.0004","90","","104.11","0.002","90","","788.45","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 Fe O7 -","- C15 H14 Fe O7 -","- C30 H28 Fe2 O14 -","2","1","","Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther","ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00163A","","","1.54178","CuKα","","0.0471","0.0431","","","0.1008","0.1039","","","","","","1.071","","","","has coordinates","269974","2021-10-15","23:57:37",""
"7243789","12.5502","0.0006","26.5936","0.0006","13.7021","0.0005","90","","114.813","0.005","90","","4151","0.3","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H48 Ag Au B2 F8 N8 -","- C40 H48 Ag Au B2 F8 N8 -","- C160 H192 Ag4 Au4 B8 F32 N32 -","4","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes","RSC Advances","2021","11","54","34170","34173","10.1039/D1RA06581E","","","0.71073","MoKα","","0.0515","0.0382","","","0.074","0.0807","","","","","","1.039","","","","has coordinates,has disorder","270147","2021-10-29","02:27:10",""
"7243857","9.8465","0.0007","23.1935","0.0015","10.1145","0.0008","90","","108.968","0.008","90","","2184.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 N O2 S Se -","- C24 H29 N O2 S Se -","- C96 H116 N4 O8 S4 Se4 -","4","2","","Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong","Visible-light-induced intermolecular aminoselenation of alkenes","Green Chemistry","2021","23","24","9968","9973","10.1039/D1GC03195C","","x-ray","0.71073","MoKα","","0.0471","0.0383","","","0.0703","0.0747","","","","","","1.038","","","","has coordinates","271845","2022-01-06","21:29:57",""
"7243876","11.5283","0.0007","8.0352","0.0005","24.3766","0.0015","90","","103.495","0.004","90","","2195.7","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","5,2?,6?-trihydroxy-7-methoxyflavone 2?-O-β-D-glucopyranoside","","- C23 H26 O12 -","- C23 H26 O12 -","- C92 H104 O48 -","4","2","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54178","CuKα","","0.0724","0.0695","","","0.1774","0.1815","","","","","","1.09","","","","has coordinates","270539","2021-11-09","02:23:32",""
"7243883","14.334","0.002","16.468","0.002","14.54","0.002","90","","113.635","0.003","90","","3144.3","0.7","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0914","0.0564","","","0.0996","0.1104","","","","","","0.996","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243884","14.2745","0.0004","16.2901","0.0005","15.0762","0.0004","90","","115.806","0.001","90","","3156.1","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H69 Dy N2 O5 Si3 -","- C72 H69 Dy N2 O5 Si3 -","- C144 H138 Dy2 N4 O10 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0504","0.0349","","","0.0539","0.0572","","","","","","1.028","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243900","9.8914","0.0005","10.6986","0.0005","38.1886","0.0018","90","","89.992","0.002","90","","4041.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H26 Eu F9 N2 O7 S3 -","- C39 H25.5 Eu F9 N2 O7 S3 -","- C156 H102 Eu4 F36 N8 O28 S12 -","4","2","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0709","0.0556","","","0.0914","0.0965","","","","","","1.105","","","","has coordinates,has disorder","270594","2021-11-11","02:07:21",""
"7243937","5.825","0.0003","17.3293","0.0008","9.7547","0.0004","90","","97.072","0.002","90","","977.18","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F2 N5 O S -","- C22 H17 F2 N5 O S -","- C44 H34 F4 N10 O2 S2 -","2","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0269","0.0258","","","0.0655","0.0663","","","","","","1.053","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243988","8.833","0.013","6.042","0.011","16.23","0.03","90","","103.32","0.03","90","","843","3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C40 H32 O8 S2 -","2","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1624","0.0822","","","0.1383","0.1726","","","","","","0.983","","","","has coordinates","270974","2021-12-02","02:19:26",""
"7243989","11.4044","0.0013","5.5305","0.0007","15.6417","0.0018","90","","95.178","0.007","90","","982.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C46 H34 N2 O8 -","2","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1724","0.0882","","","0.1266","0.1488","","","","","","1.087","","","","has coordinates","270974","2021-12-02","02:19:29",""
"7243994","7.5119","0.0001","7.5163","0.0002","17.4195","0.0003","90","","101.945","0.002","90","","962.24","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M.","Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal","CrystEngComm","2022","24","3","560","570","10.1039/D1CE01352A","","x-ray","1.54184","CuKα","","0.0449","0.0438","","","0.1075","0.1091","","","","","","1.052","","","","has coordinates","272628","2022-02-04","19:24:18",""
"7244001","10.696","0.004","7.473","0.002","21.224","0.007","90","","94.182","0.013","90","","1691.9","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 Fe N -","- C23 H17 Fe N -","- C92 H68 Fe4 N4 -","4","2","","Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip","Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker","RSC Advances","2021","11","61","38804","38813","10.1039/D1RA08186A","","","0.71073","MoKα","","0.0601","0.0396","","","0.0694","0.0749","","","","","","1.041","","","","has coordinates","271103","2021-12-04","02:18:33",""
"7244084","9.7583","0.0003","21.2841","0.0007","13.5807","0.0004","90","","92.287","0.002","90","","2818.42","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H56 N4 O8 S2 -","- C66 H56 N4 O8 S2 -","- C132 H112 N8 O16 S4 -","2","1","","Gao, Zhenzhen; Xie, Lei; Ji, Lusha; Ma, Xin; Li, Xiaojing; Liu, Honglei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] annulation of β-sulfonamido-substituted enones with trans-α-cyano-α,β-unsaturated ketones for the synthesis of highly substituted pyrrolidines","RSC Advances","2021","11","63","40136","40139","10.1039/D1RA07881J","","","1.54184","CuKα","","0.0438","0.0378","","","0.0993","0.11","","","","","","1.056","","","","has coordinates","271513","2021-12-18","02:07:07",""
"7244145","9.0126","0.0001","18.6624","0.0001","9.1644","0.0001","90","","103.467","0.001","90","","1499.04","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cd3 N2 O21 -","- C20 H30 Cd3 N2 O21 -","- C40 H60 Cd6 N4 O42 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0418","0.0418","","","0.1045","0.1045","","","","","","1.072","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244146","4.8959","0.0001","10.063","0.0003","11.3009","0.0004","90","","95.584","0.003","90","","554.12","0.03","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O8 Zn -","- C10 H11 N O8 Zn -","- C20 H22 N2 O16 Zn2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0803","0.081","","","","","","1.068","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244147","4.8412","0.0002","10.1675","0.0004","11.332","0.0004","90","","95.158","0.004","90","","555.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Co N O8 -","- C10 H11 Co N O8 -","- C20 H22 Co2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0472","0.0461","","","0.1224","0.1241","","","","","","1.044","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244148","4.9056","0.0005","9.7392","0.001","11.4649","0.0014","90","","97.117","0.01","90","","543.53","0.1","150.1","0.4","150.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9.4 Cu N O7.2 -","- C10 H9.4 Cu N O7.2 -","- C20 H18.8 Cu2 N2 O14.4 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0611","0.0481","","","0.0958","0.0989","","","","","","0.953","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244150","14.1081","0.0001","14.3068","0.0002","23.1617","0.0003","90","","90.945","0.001","90","","4674.36","0.1","220","0.1","220","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51.25 H105.75 Cd6 N7.75 O55.5 -","- C48.55 H63.45 Cd6 N6.85 O36.6 -","- C97.1 H126.9 Cd12 N13.7 O73.2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0648","0.0626","","","0.1711","0.1735","","","","","","1.013","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244163","13.0612","0.0005","5.4197","0.0002","13.8643","0.0006","90","","102.611","0.002","90","","957.75","0.07","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","2","","Gong, Yaxiang; Wei, Yuanfeng; Gao, Yuan; Pang, Zunting; Zhang, Jianjun; Qian, Shuai","The bending behavior of an L-phenylalanine monohydrate soft crystal via reversible hydrogen bond rupture and remodeling.","Physical chemistry chemical physics : PCCP","2022","24","5","3216","3221","10.1039/d1cp05449j","","","1.34139","GaKα","","0.0385","0.0318","","","0.0784","0.0825","","","","","","1.047","","","","has coordinates","272782","2022-02-04","20:03:50",""
"7244180","3.736","0.0007","8.4997","0.0017","10.654","0.002","90","","96.061","0.007","90","","336.43","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2,3,5-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C14 H6 F6 N4 -","2","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.038","0.0325","","","0.0949","0.102","","","","","","0.815","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244214","8.2222","0.0004","12.5513","0.0007","12.9958","0.0007","90","","104.977","0.002","90","","1295.6","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H31 Cu F12 N7 O4 P2 -","- C12 H31 Cu F12 N7 O4 P2 -","- C24 H62 Cu2 F24 N14 O8 P4 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.036","0.0355","","","0.0699","0.0702","","","","","","1.12","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244270","17.0485","0.0004","21.1841","0.0006","17.4301","0.0005","90","","94.546","0.002","90","","6275.2","0.3","120","0.4","120","0.4","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42.67 Cl2 Cu N10 O8.33 -","- C42 H42 Cl2 Cu N10 O8.33333 -","- C252 H252 Cl12 Cu6 N60 O50 -","6","3","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0862","0.0615","","","0.1443","0.1593","","","","","","1.037","","","","has coordinates","272181","2022-01-21","02:14:23",""
"7244272","17.0846","0.0003","21.1938","0.0004","17.4229","0.0003","90","","94.0351","0.0015","90","","6293","0.2","120.1","0.3","120.1","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42.67 Cl2 N10 O8.33 Zn -","- C42 H42.6667 Cl2 N10 O8.33333 Zn -","- C252 H256 Cl12 N60 O50 Zn6 -","6","3","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0472","0.0416","","","0.1024","0.1068","","","","","","1.017","","","","has coordinates,has disorder","272181","2022-01-21","02:14:46",""
"7244331","11.5839","0.0015","6.982","0.0005","16.333","0.002","90","","102.429","0.01","90","","1290","0.3","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1941","0.0507","","","0.0954","0.1198","","","","","","0.713","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244484","8.0026","0.0011","15.666","0.002","8.8626","0.0012","90","","93.268","0.003","90","","1109.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","0.71073","MoKα","","0.1044","0.0555","","","0.0955","0.1114","","","","","","1.004","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244513","7.1368","0.0003","7.753","0.0003","12.3724","0.0005","90","","99.282","0.002","90","","675.62","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N3 O5 -","- C15 H11 N3 O5 -","- C30 H22 N6 O10 -","2","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0538","0.0431","","","0.1019","0.1088","","","","","","1.015","","","","has coordinates","273148","2022-02-24","23:38:28",""
"7244517","7.9898","0.0003","7.0018","0.0003","25.9225","0.0011","90","","91.907","0.002","90","","1449.38","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O5 -","- C17 H11 N3 O5 -","- C68 H44 N12 O20 -","4","2","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0319","0.0318","","","0.0885","0.0886","","","","","","1.001","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244544","10.8206","0.0005","6.2424","0.0003","12.0066","0.0005","90","","109.921","0.001","90","","762.48","0.06","110","","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.0322","0.0308","","","0.0793","0.0802","","","","","","1.057","","","","has coordinates","274992","2022-05-05","20:37:58",""
"7244552","7.3302","0.0003","7.1879","0.0003","8.5495","0.0004","90","","109.076","0.005","90","","425.73","0.03","173.2","0.7","173.2","0.7","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Br N2 O -","- C6 H11 Br N2 O -","- C12 H22 Br2 N4 O2 -","2","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0299","0.0255","","","0.0562","0.0582","","","","","","1.092","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244613","8.0544","0.0008","10.367","0.0007","10.0444","0.0008","90","","90.784","0.008","90","","838.63","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 Br O5 -","- C6 H11 Br O5 -","- C24 H44 Br4 O20 -","4","2","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","x-ray","1.54184","CuKα","","0.0811","0.079","","","0.2258","0.2285","","","","","","1.05","","","","has coordinates","273717","2022-03-16","02:16:30",""
"7244614","7.7727","0.0009","8.7216","0.0011","10.8637","0.0011","90","","102.983","0.011","90","","717.63","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","x-ray","0.71073","MoKα","","0.0289","0.0238","","","0.0395","0.041","","","","","","1.0926","","","","has coordinates","273717","2022-03-16","02:16:30",""
"7244663","7.1957","0.001","12.0448","0.0013","10.685","0.002","90","","101.652","0.015","90","","907","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloro{N1,N1-dimethyl-N2-[(1R,2S,3R,4S)-2-oxy-1,7,7- trimethylbicyclo[2.2.1]heptane -3-yl]ethane-1,2-diamine-N1,N2,O}copper(II)","","- C14 H28 Cl2 Cu N2 O -","- C14 H28 Cl2 Cu N2 O -","- C28 H56 Cl4 Cu2 N4 O2 -","2","1","","Gur'eva, Yana A.; Zalevskaya, Olga A.; Shevchenko, Oksana G.; Slepukhin, Pavel A.; Makarov, Vadim A.; Kuchin, Aleksandr V.","Copper(ii) complexes with terpene derivatives of ethylenediamine: synthesis, and antibacterial, antifungal and antioxidant activity","RSC Advances","2022","12","15","8841","8851","10.1039/D2RA00223J","","x-ray","0.71073","MoKα","","0.1501","0.0985","","","0.2429","0.3056","","","","","","1.028","","","","has coordinates","273948","2022-03-24","02:14:44",""
"7244698","12.175","0.0003","15.5498","0.0005","12.6033","0.0003","90","","105.706","0.0008","90","","2296.95","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H46 Co2 N8 O13 S -","- C45 H46 Co2 N8 O13 S -","- C90 H92 Co4 N16 O26 S2 -","2","1","","Zhao, Yanzhu; Zhu, Peizhi; Pan, Lingwei; Xie, Yiqing; Ng, Seik Weng; Zhang, Kou-Lin","Preparation and Characterization of a Newly Constructed Multifunctional Co(II)-organic Framework: Proton Conduction and Adsorption of Congo Red in Aqueous Medium","CrystEngComm","2022","","","","","10.1039/D2CE00330A","","","0.71073","MoKα","","0.1134","0.0517","","","0.0972","0.1177","","","","","","0.994","","","","has coordinates,has disorder","274179","2022-03-31","22:34:32",""
"7244761","11.7128","0.0003","7.992","0.0002","11.8269","0.0003","90","","115.224","0.001","90","","1001.54","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.031","0.0302","","","0.08","0.0811","","","","","","1.047","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244763","6.4502","0.0003","14.2302","0.0006","9.9729","0.0004","90","","98.573","0.002","90","","905.16","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.34139","GaKα","","0.0413","0.0407","","","0.1083","0.109","","","","","","1.08","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244765","6.6713","0.0002","19.5694","0.0007","7.1999","0.0002","90","","92.551","0.001","90","","939.04","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0503","0.0492","","","0.1288","0.1304","","","","","","1.04","","","","has coordinates","274467","2022-04-12","01:39:16",""
"7244766","8.4122","0.0002","19.7326","0.0006","11.0321","0.0003","90","","92.236","0.001","90","","1829.87","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","2","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0327","0.0322","","","0.0841","0.0846","","","","","","1.052","","","","has coordinates,has disorder","274467","2022-04-12","01:39:16",""
"7244879","5.6","0.02","14.98","0.05","9.85","0.04","90","","105.15","0.04","90","","798","5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 N O -","- C23 H15 N O -","- C46 H30 N2 O2 -","2","1","","Bae, Jaehan; Iqbal, Naeem; Hwang, Ho Seong; Cho, Eun Jin","Sustainable preparation of photoactive indole-fused tetracyclic molecules: a new class of organophotocatalysts","Green Chemistry","2022","24","10","3985","3992","10.1039/D2GC00542E","","","0.71073","MoKα","","0.1539","0.0707","","","0.2264","0.2623","","","","","","0.993","","","","has coordinates","275784","2022-06-06","01:47:21",""
"7244897","9.9889","0.0009","10.8567","0.0012","9.9953","0.001","90","","105.531","0.003","90","","1044.38","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0737","0.0468","","","0.1252","0.1499","","","","","","0.869","","","","has coordinates","275152","2022-05-06","22:31:55",""
"7244899","9.967","0.007","10.881","0.008","9.994","0.007","90","","105.28","0.02","90","","1045.5","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0452","0.0377","","","0.1121","0.1235","","","","","","0.921","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244906","6.6846","0.0007","8.3382","0.0009","30","0.003","90","","90.978","0.003","90","","1671.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N3 O3 V -","- C17 H20 N3 O3 V -","- C68 H80 N12 O12 V4 -","4","2","","Borah, Rakhimoni; Lahkar, Surabhi; Deori, Naranarayan; Brahma, Sanfaori","Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes","RSC Advances","2022","12","22","13740","13748","10.1039/D2RA01448C","","","0.71073","MoKα","","0.041","0.0331","","","0.0845","0.0894","","","","","","1.049","","","","has coordinates","275179","2022-05-07","01:07:11",""
"7244982","12.891","0.006","8.629","0.005","15.51","0.007","90","","111.57","0.02","90","","1604.5","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N3 O8 -","- C32 H39 N3 O8 -","- C64 H78 N6 O16 -","2","1","","Tian, Heng-Zhi; Tang, Qing-Gang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric synthesis of chiral 1,2-oxazinane and hexahydropyridazin spirocyclic scaffolds by organocatalytic [4 + 2] cycloaddition","RSC Advances","2022","12","25","15713","15717","10.1039/D2RA02759C","","","1.54184","CuKα","","0.0474","0.0332","","","0.0803","0.0836","","","","","","1.062","","","","has coordinates","275635","2022-05-25","01:08:49",""
"7244983","11.2293","0.0006","8.1032","0.0005","11.2293","0.0006","90","","100.54","","90","","1004.55","0.1","274","2","274","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C40 H52 N4 O12 -","2","1","","Tian, Heng-Zhi; Tang, Qing-Gang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric synthesis of chiral 1,2-oxazinane and hexahydropyridazin spirocyclic scaffolds by organocatalytic [4 + 2] cycloaddition","RSC Advances","2022","12","25","15713","15717","10.1039/D2RA02759C","","","1.54178","CuKα","","0.0439","0.0434","","","0.1008","0.1016","","","","","","1.091","","","","has coordinates","275635","2022-05-25","01:08:49",""
"7244989","5.692","0.001","10.588","0.002","10.925","0.002","90","","93.14","0.03","90","","657.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 Br2 N O5 -","- C9 H13 Br2 N O5 -","- C18 H26 Br4 N2 O10 -","2","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.7","Synchrotron","","0.0446","0.0445","","","0.1096","0.1097","","","","","","1.139","","","","has coordinates","275660","2022-05-26","22:31:26",""
"7245047","10.4267","0.0005","52.731","0.002","13.8477","0.0006","90","","100.58","0.002","90","","7484.2","0.6","120","2","119.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H46 As2 Ni O5 S4 -","- C55 H46 As2 Ni O5 S4 -","- C330 H276 As12 Ni6 O30 S24 -","6","3","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0305","","","0.0688","0.0694","","","","","","1.076","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245067","8.7506","0.0008","6.4046","0.0006","14.903","0.0014","90","","101.334","0.008","90","","818.94","0.13","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 B F2 N O -","- C19 H16 B F2 N O -","- C38 H32 B2 F4 N2 O2 -","2","1","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.1063","0.0508","","","0.1039","0.1235","","","","","","0.957","","","","has coordinates","276014","2022-06-14","00:52:39",""
"7245070","10.373","0.0004","13.9191","0.0004","11.5437","0.0004","90","","108.664","0.004","90","","1579.06","0.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 B2 F4 N2 O2 -","- C38 H32 B2 F4 N2 O2 -","- C76 H64 B4 F8 N4 O4 -","2","1","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.0827","0.0472","","","0.0964","0.1091","","","","","","0.981","","","","has coordinates","276014","2022-06-14","00:52:40",""
"7245087","9.58","0.007","5.8","0.004","20.624","0.017","90","","91.13","0.03","90","","1145.7","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis-pentafluorbenzamide N-phenylbenzamide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide N-phenylbenzamide'","","- C26 H12 F10 N2 O2 -","- C26 H12 F10 N2 O2 -","- C52 H24 F20 N4 O4 -","2","1","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1262","0.1047","","","0.223","0.2359","","","","","","1.033","","","","has coordinates","276136","2022-06-21","22:33:00",""
"7245113","16.8353","0.0004","8.4802","0.0002","23.129","0.0006","90","","110.799","0.008","90","","3086.9","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H84 N12 O19 -","- C60 H84 N12 O19 -","- C120 H168 N24 O38 -","2","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0978","0.0707","","","0.2034","0.2282","","","","","","1.059","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245180","7.8177","0.0004","25.0982","0.0014","12.3248","0.0007","90","","96.956","0.002","90","","2400.5","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl12 Cu3 N8 -","- C38 H38 Cl12 Cu3 N8 -","- C76 H76 Cl24 Cu6 N16 -","2","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0395","0.0349","","","0.0739","0.0757","","","","","","1.078","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245187","16.9895","0.0007","6.1074","0.0002","12.0498","0.0009","90","","101.833","0.006","90","","1223.74","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C56 H70 F2 O14 -","2","1","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09165","2.24889","","","","","","","has coordinates","276824","2022-07-22","23:38:04",""
"7245188","18.9012","0.0007","6.10485","0.00019","22.6364","0.0015","90","","109.25","0.004","90","","2466","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09288","2.45548","","","","","","","has coordinates","276824","2022-07-22","23:38:05",""
"7245220","11.7946","0.0009","9.3562","0.0008","18.9259","0.0016","90","","105.551","0.002","90","","2012.1","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O5 -","- C20 H29 N3 O5 -","- C80 H116 N12 O20 -","4","2","","Kumar, Satish; Borish, Kshetrimayum; Dey, Sanjit; Nagesh, Jayashree; Das, Aloke","Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01306A","","","0.71073","MoKα","","0.2075","0.0837","","","0.1039","0.1319","","","","","","1.024","","","","has coordinates","276955","2022-07-27","00:55:17",""
"7245246","6.0013","0.0002","16.6234","0.0006","8.3924","0.0003","90","","91.974","0.003","90","","836.75","0.05","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0442","0.0398","","","0.0979","0.1014","","","","","","0.989","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245309","10.9467","0.0011","11.045","0.0014","11.7816","0.0013","90","","112.707","0.004","90","","1314.1","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C60 H72 O14 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0555","0.0412","","","0.0852","0.0951","","","","","","1.049","","","","has coordinates","277241","2022-08-13","22:29:15",""
"7245310","10.8459","0.0007","11.2095","0.0007","11.9727","0.0008","90","","114.141","0.002","90","","1328.3","0.15","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0539","0.0411","","","0.0873","0.0959","","","","","","1.066","","","","has coordinates","277241","2022-08-13","22:29:16",""
"7245316","8.0812","0.0002","10.1708","0.0002","13.7159","0.0003","90","","92.804","0.002","90","","1125.99","0.04","149.8","0.7","149.8","0.7","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0316","0.03","","","0.0743","0.0762","","","","","","1.05","","","","has coordinates","277262","2022-08-16","22:28:26",""
"7245319","6.177","0.0003","10.9534","0.0006","11.7837","0.0008","90","","96.154","0.005","90","","792.68","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0392","0.0357","","","0.0942","0.0973","","","","","","1.02","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245320","6.1216","0.0003","10.8073","0.0005","11.7028","0.0006","90","","95.501","0.004","90","","770.67","0.07","150.01","0.1","150.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0394","0.0362","","","0.0946","0.0982","","","","","","0.909","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245323","8.2148","0.0004","10.2029","0.0004","13.8985","0.0008","90","","93.622","0.005","90","","1162.57","0.1","293","0.1","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0555","0.0441","","","0.1121","0.1166","","","","","","1.07","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245362","8.3663","0.0005","24.1622","0.0012","12.9374","0.0008","90","","106.602","0.002","90","","2506.2","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Bi2 I9 N8 O3 S2 -","- C24 H25 Bi2 I9 N8 O3 S2 -","- C48 H50 Bi4 I18 N16 O6 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0324","0.0299","","","0.0711","0.0718","","","","","","1.084","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245415","6.67424","0.00004","7.45602","0.00005","17.58647","0.00011","90","","91.9097","0.0006","90","","874.674","0.01","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","BA-TFBQ","","- C12 H6 F2 O -","- C12 H6 F2 O -","- C48 H24 F8 O4 -","4","2","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1004","0.1005","","","","","","1.066","","","","has coordinates","277564","2022-09-01","22:34:07",""
"7245417","13.3355","0.0006","7.8283","0.0003","16.6774","0.0008","90","","92.888","0.002","90","","1738.81","0.13","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1-Ethylimidazolium)2 MnCl4","","- C10 H16 Cl4 Mn N4 -","- C10 H16 Cl4 Mn N4 -","- C40 H64 Cl16 Mn4 N16 -","4","2","","Fu, Hanmei; Jiang, Chunli; Luo, Chunhua; Lin, Hechun; Peng, Hui","Manganese Halide Hybrids with Reversible Luminous Color and Application for White Light-emitting Diode","CrystEngComm","2022","","","","","10.1039/D2CE00883A","","","1.54178","CuKα","","0.0786","0.0702","","","0.1735","0.1815","","","","","","1.272","","","","has coordinates","277565","2022-09-01","22:34:50",""
"7245506","11.2659","0.0001","25.5758","0.0001","11.4452","0.0001","90","","116.565","0.001","90","","2949.6","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 N3 O3 -","- C36 H39 N3 O3 -","- C144 H156 N12 O12 -","4","2","","Rakumitsu, Kenta; Fujii, Miho; Kusumoto, Sotaro; Kikkawa, Shoko; Azumaya, Isao; Yokoyama, Akihiro","Synthesis, crystal structure, and properties of methyl-substituted coronene amide analogue","RSC Advances","2022","12","40","26411","26417","10.1039/D2RA04035B","","","1.54184","CuKα","","0.0391","0.0383","","","0.1029","0.1035","","","","","","1.041","","","","has coordinates,has disorder","277975","2022-09-19","01:25:14",""
"7245521","8.738","0.006","14.001","0.01","8.854","0.006","90","","109.928","0.009","90","","1018.3","1.2","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","zk","","- C22 H18 Br N O5 -","- C22 H18 Br N O5 -","- C44 H36 Br2 N2 O10 -","2","1","","Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai","Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation","RSC Advances","2022","12","41","26727","26732","10.1039/D2RA04603B","","","0.71073","MoKα","","0.0679","0.0473","","","0.1192","0.1297","","","","","","0.983","","","","has coordinates","278062","2022-09-22","01:10:18",""
"7245524","7.5133","0.0004","9.5794","0.0004","12.1165","0.0006","90","","105.166","0.0012","90","","841.69","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O S -","- C17 H23 N O S -","- C34 H46 N2 O2 S2 -","2","1","","Baumann, Andreas; Isak, Daniel; Lohbeck, Jasmin; Jagtap, Pravin Kumar Ankush; Hennig, Janosch; Miller, Aubry K.","Scalable synthesis and structural characterization of reversible KLK6 inhibitors","RSC Advances","2022","12","41","26989","26993","10.1039/D2RA04670A","","","0.71073","MoKα","","0.0391","0.0324","","","0.0692","0.0721","","","","","","1.062","","","","has coordinates","278063","2022-09-22","01:10:58",""
"7245525","11.5944","0.0005","7.9944","0.0004","11.8474","0.0005","90","","101.879","0.002","90","","1074.62","0.08","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N3 O2 -","- C26 H20 F3 N3 O2 -","- C52 H40 F6 N6 O4 -","2","1","","Han, Zhao; Jin, Jiaping; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng","Organocatalytic diastereo- and enantioselective conjugate addition of pyrazol-3-ones to 3-trifluoroethylidene oxindoles with a newly developed squaramide catalyst","RSC Advances","2022","12","41","27012","27021","10.1039/D2RA05088A","","","1.54178","CuKα","","0.0333","0.0307","","","0.0714","0.0734","","","","","","1.067","","","","has coordinates","278064","2022-09-22","01:11:32",""
"7245526","7.02449","0.00006","39.0527","0.0002","25.57042","0.00018","90","","89.9888","0.0007","90","","7014.61","0.09","100","0.1","100","0.1","","","","","","","synthetic","7","P 1 21 1","P 2yb","4","","N6-Benzoyl-2'-O-tert-butyldimethylsilyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)-adenosine","","- C30 H44 N5 O7 P S2 Si -","- C30 H44 N5 O7 P S2 Si -","- C240 H352 N40 O56 P8 S16 Si8 -","8","4","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Tomaszewska-Antczak, Agnieszka; Mikołajczyk, Barbara; Guga, Piotr","Synthesis and hybridizing properties of P-stereodefined chimeric [PS]-{DNA:RNA} and [PS]-{DNA:(2′-OMe)-RNA} oligomers","RSC Advances","2022","12","41","26815","26824","10.1039/D2RA04855H","","x-ray","1.54184","CuKα","","0.0668","0.0563","","","0.138","0.1439","","","","","","1.06","","","","has coordinates,has disorder","278065","2022-09-22","01:12:13",""
"7245559","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.0506","0.0444","","","0.1143","0.1179","","","","","","1.04","","","","has coordinates,has disorder","278135","2022-09-26","15:24:45",""
"7245560","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.038","0.031","","","","0.071","0.039","","","","","1.156","","","","has coordinates","278135","2022-09-26","15:24:45",""
"7245584","11.278","0.003","17.731","0.003","20.405","0.005","90","","103.26","0.03","90","","3971.6","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","4","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.0845","0.0458","","","0.107","0.1208","","","","","","1.053","","","","has coordinates","278262","2022-09-29","01:22:46",""
"7245608","9.8007","0.0008","19.457","0.0018","15.5025","0.0012","90","","99.565","0.007","90","","2915.1","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 F7 N4 O4 -","- C28 H27 F7 N4 O4 -","- C112 H108 F28 N16 O16 -","4","2","","Chen, Yu-Lan; Sun, Li-Wen; Chen, Jia-Wei; Zhu, Ming-Quan; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3 under transition-metal-free conditions","Green Chemistry","2022","24","18","6816","6822","10.1039/D2GC02045A","","x-ray","0.71073","MoKα","","0.1359","0.0926","","","0.2199","0.2673","","","","","","1.005","","","","has coordinates,has disorder","278366","2022-10-05","20:19:13",""
"7245629","5.1667","0.00004","7.62474","0.00006","20.29901","0.00017","90","","91.9565","0.0008","90","","799.208","0.011","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Biotin-NHS","2,5-dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate","","- C14 H19 N3 O5 S -","- C14 H19 N3 O5 S -","- C28 H38 N6 O10 S2 -","2","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0734","0.0737","","","","","","1.059","","","","has coordinates","278375","2022-10-06","00:58:43",""
"7245798","4.96","0.0002","22.0851","0.0009","8.5898","0.0004","90","","98.147","0.001","90","","931.45","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Cu N2 O6 -","- C14 H32 Cu N2 O6 -","- C28 H64 Cu2 N4 O12 -","2","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0255","0.0232","","","0.0498","0.0512","","","","","","1.024","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245800","10.264","0.003","9.025","0.003","15.089","0.006","90","","91.457","0.011","90","","1397.3","0.8","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Cl3 N3 O3 Zn2 -","- C24 H32 Cl3 N3 O3 Zn2 -","- C48 H64 Cl6 N6 O6 Zn4 -","2","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.1161","0.0721","","","0.1713","0.1974","","","","","","1.03","","","","has coordinates","279226","2022-11-11","02:22:08",""
"7245860","10.1307","0.0002","6.3539","0.0001","13.0633","0.0002","90","","95.469","0.002","90","","837.05","0.02","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Phenibut (S)-Mandelic Acid","(R)-3-phenyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0324","0.0315","","","0.0816","0.0824","","","","","","1.068","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245861","6.0517","0.0001","29.8989","0.0005","9.3069","0.0001","90","","92.641","0.001","90","","1682.19","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (S)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0309","0.03","","","0.0727","0.0733","","","","","","1.048","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245862","6.0771","0.0001","29.9265","0.0005","9.3066","0.0001","90","","92.662","0.001","90","","1690.73","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (R)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.051","0.0497","","","0.119","0.1205","","","","","","1.05","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245863","6.2455","0.0001","27.388","0.0005","9.9624","0.0002","90","","90.462","0.002","90","","1704.03","0.05","99.98","0.13","99.98","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (S)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0493","0.0458","","","0.1156","0.1186","","","","","","1.084","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245864","6.2527","0.0001","27.3848","0.0003","9.9603","0.0001","90","","90.483","0.001","90","","1705.43","0.04","99.97","0.16","99.97","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (R)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0297","0.0278","","","0.0679","0.0689","","","","","","1.035","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245913","9.8771","0.0005","5.1276","0.0002","17.5128","0.0011","90","","101.776","0.005","90","","868.28","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","x-ray","1.54184","CuKα","","0.0585","0.053","","","0.1424","0.1691","","","","","","1.104","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245976","11.3188","0.0013","7.2613","0.0009","14.983","0.002","90","","95.858","0.012","90","","1225","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N3 O9 S -","- C23 H25 N3 O9 S -","- C46 H50 N6 O18 S2 -","2","1","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0591","0.0436","","","0.101","0.108","","","","","","0.998","","","","has coordinates","279758","2022-12-07","02:26:10",""
"7245978","14.7579","0.0009","7.0785","0.0003","27.0868","0.0016","90","","97.464","0.002","90","","2805.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N3 O14 S2 -","- C23 H31 N3 O14 S2 -","- C92 H124 N12 O56 S8 -","4","2","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0639","0.0567","","","0.1241","0.128","","","","","","1.149","","","","has coordinates","279758","2022-12-07","02:26:11",""
"7245979","19.6617","0.0011","6.5542","0.0004","20.6217","0.0011","90","","100.086","0.005","90","","2616.4","0.3","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 B F2 N2 O -","- C19 H23 B F2 N2 O -","- C114 H138 B6 F12 N12 O6 -","6","3","","Ikeshita, Masahiro; He, Hongxi; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","External environment sensitive circularly polarized luminescence properties of a chiral boron difluoride complex","RSC Advances","2022","12","53","34790","34796","10.1039/D2RA07386B","","","0.71073","MoKα","","0.1213","0.0461","","","0.1242","0.1626","","","","","","1.002","","","","has coordinates","279760","2022-12-07","02:27:26",""
"7246044","8.1771","0.0004","5.7977","0.0003","13.7003","0.0007","90","","90.684","0.004","90","","649.46","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 N P S2 -","- C15 H10 N P S2 -","- C30 H20 N2 P2 S4 -","2","1","","Evariste, Sloane; Harrison, Alexandra M.; Sarkar, Sunandan; Rheingold, Arnold L.; Dunietz, Barry D.; Heinicke, Joachim W.; Delgado Rosario, Emalyn; Yoon, Sungwoon; Teets, Thomas S.; Protasiewicz, John D.","Luminescent 1H-1,3-benzazaphospholes.","RSC advances","2022","13","1","594","601","10.1039/d2ra07226b","","x-ray","1.54178","CuKα","K-L~3~","0.0442","0.0407","","","0.1011","0.1034","","","","","","1.058","","","","has coordinates,has disorder","281613","2023-03-04","18:48:39",""
"7246186","11.2","0.0002","7.8745","0.0001","11.8582","0.0002","90","","103.292","0.001","90","","1017.81","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang","Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane","Green Chemistry","2023","25","3","1120","1127","10.1039/D2GC04689J","","x-ray","1.54184","CuKα","","0.0317","0.0312","","","0.08","0.0804","","","","","","1.083","","","","has coordinates,has disorder","281483","2023-03-04","18:25:40",""
"7246188","12.012","0.002","12.909","0.003","14.885","0.003","90","","97.85","0.03","90","","2286.5","0.8","100","2","100","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","[Val,Chg]ASC","c(Val-Oxz-dval-Thz-Chg-Oxz-dval-Thz)2.DMA","","- C41 H61 N9 O7 S2 -","- C41 H61 N9 O7 S2 -","- C82 H122 N18 O14 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Yamada, Takeshi; Doi, Mitsunobu","Experimental evidence for CH⋯π interaction-mediated stabilization of the square form in phenylglycine-incorporated ascidiacyclamide","RSC Advances","2023","13","4","2458","2466","10.1039/D2RA07063D","","","1.54184","CuKα","","0.0657","0.0644","","","0.1733","0.1754","","","","","","0.744","","","","has coordinates","280486","2023-01-21","02:06:34",""
"7246196","12.0602","0.0004","8.4487","0.0003","23.7592","0.0008","90","","92.455","0.003","90","","2418.67","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0725","0.0687","","","0.1984","0.2006","","","","","","1.078","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246212","13.9471","0.0001","13.6917","0.0001","16.7692","0.0001","90","","101.73","0.001","90","","3135.36","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H49 Cl3 N8 O28 -","- C57 H49 Cl3 N8 O28 -","- C114 H98 Cl6 N16 O56 -","2","1","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.0711","0.0679","","","0.1967","0.2019","","","","","","1.075","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246276","5.2615","0.0002","25.2098","0.0009","16.6111","0.0006","90","","91.994","0.003","90","","2201.98","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N6 O11.5 S2 -","- C41.5 H54 N6 O11.5 S2 -","- C83 H108 N12 O23 S4 -","2","1","","Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J.","A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate","CrystEngComm","2023","25","12","1782","1791","10.1039/D2CE01612E","","x-ray","1.54184","CuKα","","0.0612","0.0513","","","0.1248","0.1313","","","","","","1.024","","","","has coordinates,has disorder","282335","2023-04-04","10:16:21",""
"7246292","10.6549","0.0001","24.1161","0.0003","12.81","0.0002","90","","111.908","0.002","90","","3053.88","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O4 S -","- C35 H33 N5 O4 S -","- C140 H132 N20 O16 S4 -","4","2","","Battula, Himabindu; Nath, Moromi; Mishra, Sabyashachi; Jayanty, Subbalakshmi","Spirocyclic rhodamine B benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism.","RSC advances","2023","13","8","5134","5148","10.1039/d2ra08022b","","x-ray","1.54184","CuKα","","0.0553","0.0513","","","0.1403","0.1437","","","","","","1.038","","","","has coordinates","281041","2023-02-20","13:30:50",""
"7246297","9.9159","0.0003","9.8182","0.0003","10.8445","0.0003","90","","101.793","0.001","90","","1033.5","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H16 N2 S3 -","- C26 H16 N2 S3 -","- C52 H32 N4 S6 -","2","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.0224","0.0224","","","0.0585","0.0586","","","","","","1.104","","","","has coordinates","281043","2023-02-20","13:32:40",""
"7246325","7.4117","0.0008","14.0189","0.0013","10.6336","0.001","90","","98.59","0.009","90","","1092.48","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N5 O8 -","- C24 H19 N5 O8 -","- C48 H38 N10 O16 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.053","0.0429","","","0.1045","0.1142","","","","","","1.086","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246329","21.5133","0.0014","4.9621","0.0004","24.1452","0.0016","90","","95.496","0.006","90","","2565.7","0.3","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","ARB","arbutin","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","4","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1431","0.059","","","0.113","0.1558","","","","","","0.984","","","","has coordinates","283210","2023-05-05","01:24:53",""
"7246331","8.5631","0.0003","8.5283","0.0003","15.1997","0.0005","90","","104.747","0.003","90","","1073.45","0.07","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Arbutin DMF solvent compound; solvate S1","Arbutin DMF solvate","","- C18 H30 N2 O9 -","- C18 H30 N2 O9 -","- C36 H60 N4 O18 -","2","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0431","0.0384","","","0.0913","0.0959","","","","","","1.038","","","","has coordinates","283210","2023-05-05","01:25:09",""
"7246337","14.133","0.003","24.331","0.004","14.139","0.002","90","","119.109","0.004","90","","4247.9","1.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","1","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","0.71073","MoKα","","0.1274","0.0881","","","0.2322","0.2681","","","","","","1.07","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246374","7.2276","0.0005","26.5464","0.0019","8.5613","0.0006","90","","112.99","0.003","90","","1512.16","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O2 S -","- C14 H14 Cl2 N2 O2 S -","- C56 H56 Cl8 N8 O8 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.084","0.0507","","","0.0867","0.0982","","","","","","1.016","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246376","12.2812","0.0006","7.35","0.0004","17.434","0.0009","90","","97.212","0.002","90","","1561.26","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 S -","- C14 H14 Cl2 N2 O4 S -","- C56 H56 Cl8 N8 O16 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.0446","0.0362","","","0.0697","0.0727","","","","","","1.037","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246384","7.4921","0.0002","6.3776","0.0001","12.2609","0.0003","90","","106.057","0.002","90","","562.99","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C22 H20 F2 N6 O10 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Zhang, Lin-Lin; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Salification-driven strategy toward the hydrophobic molecular salt of the antifungal drug 5-fluorocytosine and protocatechuic acid with triple-helix structure offers an innovative insight for conquering adverse drug reactions","CrystEngComm","2023","25","13","1951","1964","10.1039/D2CE01523D","","","1.54178","CuKα","","0.0232","0.0231","","","0.0621","0.0622","","","","","","1.111","","","","has coordinates","282320","2023-04-04","10:10:19",""
"7246392","11.9556","0.0002","7.174","0.0002","18.9601","0.0004","90","","94.087","0.002","90","","1622.06","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.042","0.0415","","","0.1172","0.1179","","","","","","0.867","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246448","3.9284","0.0002","26.3154","0.0012","13.1324","0.0006","90","","91.977","0.004","90","","1356.79","0.11","291","","291","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 N6 O6 Se3 -","- C27 H18 N6 O6 Se3 -","- C54 H36 N12 O12 Se6 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0936","0.066","","","0.102","0.1107","","","","","","1.059","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246453","4.8988","0.0002","10.7881","0.0003","13.7759","0.0004","90","","98.02","0.003","90","","720.92","0.04","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-3-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C26 H36 Br2 Cl2 F2 N2 -","2","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0615","0.0589","","","0.15","0.1517","","","","","","1.122","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246455","9.5543","0.0002","6.5919","0.0002","12.4634","0.0003","90","","98.424","0.002","90","","776.49","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-4-methylphenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C14 H21 Br Cl N -","- C14 H21 Br Cl N -","- C28 H42 Br2 Cl2 N2 -","2","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0495","0.038","","","0.082","0.0866","","","","","","1.029","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246457","4.8335","0.0001","26.095","0.0006","11.3444","0.0003","90","","90.954","0.002","90","","1430.67","0.06","113","2","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-5-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C52 H72 Br4 Cl4 F4 N4 -","4","2","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0531","0.0491","","","0.1436","0.1472","","","","","","1.018","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246467","7.7196","0.0005","11.7045","0.0007","9.4241","0.0006","90","","108.98","0.002","90","","805.21","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Salt 7 (293 K)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0569","0.0405","","","0.1007","0.1107","","","","","","1.045","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246468","9.9691","0.0004","11.552","0.0004","13.8196","0.0005","90","","101.995","0.001","90","","1556.76","0.1","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","2","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0379","0.0335","","","0.0844","0.0874","","","","","","1.033","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246497","10.7651","0.0005","4.8762","0.0002","13.0778","0.0005","90","","106.91","0.005","90","","656.81","0.05","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl N3 O S -","- C14 H12 Cl N3 O S -","- C28 H24 Cl2 N6 O2 S2 -","2","1","","Hommelsheim, Renè; Bausch, Sandra; van Nahl, Robin; Ward, Jas S.; Rissanen, Kari; Bolm, Carsten","Synthesis of 3-amino-substituted benzothiadiazine oxides by a palladium-catalysed cascade reaction","Green Chemistry","2023","25","8","3021","3026","10.1039/D3GC00442B","","x-ray","1.54184","CuKα","","0.0473","0.0431","","","0.1078","0.1119","","","","","","1.028","","","","has coordinates","283362","2023-05-05","02:48:05",""
"7246526","7.9676","0.0007","8.5676","0.0007","9.6639","0.0008","90","","105.119","0.005","90","","636.85","0.09","176","2","176","2","","","","","","","","4","P 1 21 1","P 2yb","4","Phthalonitrile","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","1","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies via interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.0513","0.0407","","","0.097","0.1011","","","","","","1.055","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246536","10.43482","0.00016","10.88547","0.00017","16.7749","0.0003","90","","95.4518","0.0015","90","","1896.81","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54184","CuKα","","0.0425","0.0344","","","0.0794","0.0856","","","","","","1.08","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246635","12.3981","0.0006","8.4459","0.0003","15.1806","0.0007","90","","104.276","0.002","90","","1540.52","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Cd2 N O16 -","- C27 H25 Cd2 N O16 -","- C54 H50 Cd4 N2 O32 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0292","0.0272","","","0.0645","0.0658","","","","","","1.037","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246637","6.1791","0.0001","15.1836","0.0002","14.4771","0.0002","90","","95.557","0.001","90","","1351.87","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 Br2 O6 -","- C26 H30 Br2 O6 -","- C52 H60 Br4 O12 -","2","1","","Qiu, Huixin; Ren, Jiayi; Zhang, Long; Song, Ran; Si, Wen; Yang, Daoshan; Wen, Lirong; Lv, Jian","Enantioselective Meerwein–Ponndorf–Verley reduction of β,γ-unsaturated α-keto esters by asymmetric binary-acid catalysis in the green solvent iPrOH","Green Chemistry","2023","25","10","3948","3955","10.1039/D2GC03441G","","x-ray","1.54184","CuKα","","0.0312","0.0304","","","0.0864","0.0872","","","","","","1.099","","","","has coordinates,has disorder","284277","2023-06-05","04:35:31",""
"7246656","5.085","0.001","11.293","0.002","11.036","0.002","90","","92.76","0.03","90","","633","0.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cu N2 O6 -","- C11 H14 Cu N2 O6 -","- C22 H28 Cu2 N4 O12 -","2","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Highly enhanced electrocatalytic OER activity of water-coordinated copper complexes: effect of lattice water and bridging ligand","RSC Advances","2023","13","18","12065","12071","10.1039/D3RA01186K","","","0.63","synchrotron","","0.069","0.0627","","","0.1704","0.1746","","","","","","1.064","","","","has coordinates","282718","2023-04-19","02:07:05",""
"7246660","6.4643","0.0002","21.3155","0.0007","11.9798","0.0004","90","","91.899","0.003","90","","1649.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C64 H100 B4 O16 -","4","2","","Huninik, Paweł; Szyling, Jakub; Czapik, Agnieszka; Walkowiak, Jędrzej","Organocatalytic hydroboration of olefins in pyrrolidinium ionic liquids","Green Chemistry","2023","25","9","3715","3722","10.1039/D2GC04163D","","","1.54184","CuKα","","0.0696","0.0686","","","0.1812","0.1823","","","","","","1.07","","","","has coordinates","284282","2023-06-05","04:36:21",""
"7246727","9.28689","0.00016","5.36668","0.00008","23.7254","0.0004","90","","93.097","0.0008","90","","1180.74","0.03","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C54 H56 N4 O10 -","2","1","","Bhargavi, Dodda; Konduri, Srihari; Prashanth, Jyothi; Pulipati, Sowjanya; Praneeth, K. K.; Sireesha, Malladi; Rao, Koya Prabhakara","Synthesis and identification of new sacubitril derivatives as lead compounds for antibacterial, antifungal and antitubercular (TB) activities against dormant tuberculosis","RSC Advances","2023","13","20","13540","13546","10.1039/D3RA00713H","","","0.71073","MoKα","","0.0981","0.0541","","","0.1242","0.1486","","","","","","1.027","","","","has coordinates","282978","2023-05-04","01:20:52",""
"7246730","6.8819","0.0004","18.2382","0.001","8.3735","0.0005","90","","101.22","0.002","90","","1030.9","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C48 H50 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0401","0.0346","","","0.0796","0.0839","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:10",""
"7246733","10.7226","0.0008","13.7126","0.0011","14.8083","0.0013","90","","93.229","0.003","90","","2173.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N3 O -","- C24 H24 Cl N3 O -","- C96 H96 Cl4 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0829","0.0486","","","0.1063","0.1262","","","","","","1.033","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246739","10.73","0.0009","13.6341","0.001","14.815","0.0014","90","","90.254","0.003","90","","2167.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0792","0.0487","","","0.1011","0.1224","","","","","","1.071","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246741","11.8318","0.0007","5.8252","0.0003","13.9008","0.0008","90","","113.879","0.007","90","","876.07","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0659","0.0581","","","0.1563","0.162","","","","","","1.068","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246743","8.4198","0.0011","5.8428","0.0007","8.6049","0.0009","90","","91.92","0.011","90","","423.08","0.09","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0352","0.0325","","","0.0822","0.0834","","","","","","1.082","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246751","11.8613","0.0014","5.7602","0.0007","13.2858","0.0014","90","","110.458","0.012","90","","850.48","0.18","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 F N2 O5 -","- C16 H21 F N2 O5 -","- C32 H42 F2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1045","0.0642","","","0.1171","0.1298","","","","","","1.077","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246765","9.3136","0.0008","10.1805","0.0009","9.9531","0.0008","90","","111.262","0.004","90","","879.49","0.13","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 O P -","- C18 H27 O P -","- C36 H54 O2 P2 -","2","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1343","0.0873","","","0.1699","0.1846","","","","","","1.102","","","","has coordinates","283672","2023-05-11","01:04:22",""
"7246766","12.7102","0.0011","5.9519","0.0005","18.9788","0.0018","90","","99.214","0.002","90","","1417.2","0.2","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl O2 P -","- C27 H38 Cl O2 P -","- C54 H76 Cl2 O4 P2 -","2","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1743","0.1149","","","0.2925","0.3311","","","","","","0.989","","","","has coordinates","283672","2023-05-11","01:04:22",""
"7246805","5.355","0.003","8.831","0.003","11.415","0.004","90","","90.79","0.03","90","","539.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","1","","Wojtaś, Maciej; Bednarchuk, Tamara J.; Bdikin, Igor","New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity","CrystEngComm","2023","25","25","3609","3617","10.1039/D3CE00308F","","","0.71073","MoKα","","0.0504","0.0447","","","0.1118","0.1154","","","","","","1.052","","","","has coordinates","284920","2023-07-05","10:09:01",""
"7246828","14.1064","0.0007","23.6828","0.0012","17.4985","0.0009","90","","90","","90","","5845.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H126 N8 O25 -","- C90 H126 N8 O25 -","- C180 H252 N16 O50 -","2","1","","Xu, Yiming; Chen, Kui; Ju, Xiang; Wu, Bin; Li, Xiaoting; Ji, Lijun; Wu, Yanyang","The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin","CrystEngComm","2023","25","25","3662","3673","10.1039/D3CE00300K","","","1.54178","CuKα","","0.0492","0.0462","","","0.1324","0.1363","","","","","","1.052","","","","has coordinates","284918","2023-07-05","10:08:18",""
"7246845","11.4572","0.0004","18.7701","0.0007","11.9458","0.0005","90","","98.041","0.004","90","","2543.72","0.17","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C54 H68 O10 -","- C54 H68 O10 -","- C108 H136 O20 -","2","1","","Bao, Xiaobo; Yu, Wei; Wang, Lilin; Dong, Xu; Wang, Guoli; Chen, Weilin; Li, Fei; Chen, Dongyin","Synthesis of 4-aryl-3,4-dihydrocoumarins and 4-aryl-4H-chromenes via Er(OTf)3-catalyzed cascade reactions of p-quinone methides with 1,3-dicarbonyl compounds","RSC Advances","2023","13","23","15942","15946","10.1039/D3RA02267F","","x-ray","1.54184","CuKα","","0.0875","0.0798","","","0.2223","0.2385","","","","","","1.071","","","","has coordinates","284037","2023-05-27","01:29:46",""
"7246848","17.0916","0.0003","17.0966","0.0002","17.6141","0.0002","90","","118.3","0.002","90","","4531.8","0.14","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H61 B F4 N2 O -","- C48 H61 B F4 N2 O -","- C192 H244 B4 F16 N8 O4 -","4","2","","Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot","Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids.","Physical chemistry chemical physics : PCCP","2023","25","22","15463","15468","10.1039/d3cp01881d","","x-ray","1.54184","CuKα","","0.0542","0.0502","","","0.1426","0.1486","","","","","","1.035","","","","has coordinates","284975","2023-07-05","11:02:04",""
"7246898","9.9849","0.0002","14.325","0.0003","10.8831","0.0002","90","","102.415","0.001","90","","1520.25","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Cl2 N -","- C7 H16 B9 Cl2 N -","- C28 H64 B36 Cl8 N4 -","4","2","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0591","0.0482","","","0.1184","0.125","","","","","","1.04","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246905","11.6822","0.0006","15.3912","0.0008","11.7959","0.0005","90","","115.56","0.0016","90","","1913.37","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O21 U2 -","- C22 H38 N8 O21 U2 -","- C44 H76 N16 O42 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0295","0.0292","","","0.0747","0.075","","","","","","1.04","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246941","24.16","0.0005","14.7868","0.0003","33.2539","0.0011","90","","103.708","0.003","90","","11541.5","0.5","109.3","0.8","109.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","Boc-L-Pro-Mn-Anderson","","- C81 H161.5 Mn Mo6 N9.5 O30 -","- C81 H161.5 Mn Mo6 N9.5 O30 -","- C324 H646 Mn4 Mo24 N38 O120 -","4","2","","Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge","A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles","Green Chemistry","2023","25","16","6263","6269","10.1039/D3GC00951C","","x-ray","1.54184","CuKα","","0.1161","0.0872","","","0.2165","0.2342","","","","","","1.042","","","","has coordinates,has disorder","286140","2023-09-05","19:57:05",""
"7246946","11.8078","0.0005","6.2764","0.0003","15.6415","0.0006","90","","109.362","0.001","90","","1093.64","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C48 H44 Cl2 N6 O6 -","2","1","","Jiaping, Jin; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng","Chiral spirocyclic phosphoric acid-catalyzed enantioselective synthesis of heterotriarylmethanes bearing an amino acid moiety.","RSC advances","2023","13","27","18964","18973","10.1039/d3ra03480a","","","0.71073","MoKα","","0.0483","0.0396","","","0.0847","0.0898","","","","","","1.08","","","","has coordinates","284676","2023-06-29","14:38:32",""
"7246959","13.5903","0.0013","6.6575","0.0006","13.8833","0.0013","90","","100.193","0.001","90","","1236.3","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,6R,7R,E)-7-((4-bromobenzoyl)oxy)-6-methoxy-7-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-4-ene-2,3-diyl diacetate","","- C24 H27 Br O9 -","- C24 H27 Br O9 -","- C48 H54 Br2 O18 -","2","1","","Elshamy, Abdelsamed I.; Mohamed, Tarik A.; Swapana, Ningombam; Kasai, Yusuke; Noji, Masaaki; Efferth, Thomas; Imagawa, Hiroshi; Hegazy, Mohamed-Elamir F.; Umeyama, Akemi","Ternifolipyrons A–J: new cytotoxic α-pyrones from Isodon ternifolius (D. Don) Kudô","RSC Advances","2023","13","29","19710","19720","10.1039/D3RA03146B","","","0.71073","MoKα","","0.0284","0.0251","","","0.0582","0.0592","","","","","","0.937","","","","has coordinates","284725","2023-06-30","01:13:58",""
"7246965","10.45569","0.00014","19.7033","0.0004","13.0905","0.0002","90","","100.125","0.0014","90","","2654.8","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H19 B F4 Mo O2 S2 -","- C13 H19 B F4 Mo O2 S2 -","- C78 H114 B6 F24 Mo6 O12 S12 -","6","3","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0991","0.1003","","","","","","1.064","","","","has coordinates,has disorder","284738","2023-07-01","01:08:09",""
"7246978","25.238","0.005","4.988","0.001","25.694","0.005","90","","116.13","0.03","90","","2904","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35.28 N5 O10.14 -","- C29 H35 N5 O10.1415 -","- C116 H140 N20 O40.566 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.6199","Synchrotron","","0.1584","0.0788","","","0.1902","0.2322","","","","","","1.015","","","","has coordinates,has disorder","286100","2023-09-05","19:38:03",""
"7246981","9.724","0.002","33.662","0.007","9.966","0.002","90","","90.87","0.03","90","","3261.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N5 O11 -","- C31 H45 N5 O11 -","- C124 H180 N20 O44 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1172","0.0645","","","0.1616","0.1898","","","","","","1.006","","","","has coordinates","286100","2023-09-05","19:38:04",""
"7247029","12.9659","0.0004","18.5545","0.0003","14.3959","0.0003","90","","104.36","0.002","90","","3355.1","0.14","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C140 H144 Cl10 Ir2 N20 Na2 O12 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0281","0.0259","","","0.0578","0.0587","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247062","10.08686","0.00012","12.80881","0.00017","14.06927","0.00018","90","","97.4889","0.0012","90","","1802.25","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl 1-((R)-1-(methoxycarbonyl)-2-methylpropyl)piperidin-4-ylcarbamate","","- C32 H60 N4 O8 -","- C32 H60 N4 O8 -","- C64 H120 N8 O16 -","2","1","","Matulevičiūtė, Gita; Kleizienė, Neringa; Račkauskienė, Greta; Martynaitis, Vytas; Bieliauskas, Aurimas; Šachlevičiūtė, Urtė; Jankauskas, Rokas; Bartkus, Martynas R.; Sløk, Frank A.; Šačkus, Algirdas","Facile synthesis of new N-(aminocycloalkylene)amino acid compounds using chiral triflate esters with N-Boc-aminopyrrolidines and N-Boc-aminopiperidines","RSC Advances","2023","13","31","21378","21394","10.1039/D3RA03060A","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0805","0.0811","","","","","","1.0525","","","","has coordinates","285270","2023-07-19","01:03:43",""
"7247063","10.09241","0.00017","12.82419","0.00017","14.0647","0.0002","90","","97.4248","0.0016","90","","1805.09","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl 1-((S)-1-(methoxycarbonyl)-2-methylpropyl)piperidin-4-ylcarbamate","","- C32 H60 N4 O8 -","- C32 H60 N4 O8 -","- C64 H120 N8 O16 -","2","1","","Matulevičiūtė, Gita; Kleizienė, Neringa; Račkauskienė, Greta; Martynaitis, Vytas; Bieliauskas, Aurimas; Šachlevičiūtė, Urtė; Jankauskas, Rokas; Bartkus, Martynas R.; Sløk, Frank A.; Šačkus, Algirdas","Facile synthesis of new N-(aminocycloalkylene)amino acid compounds using chiral triflate esters with N-Boc-aminopyrrolidines and N-Boc-aminopiperidines","RSC Advances","2023","13","31","21378","21394","10.1039/D3RA03060A","","x-ray","1.54184","CuKα","","0.0316","0.0309","","","0.0835","0.084","","","","","","1.0518","","","","has coordinates","285270","2023-07-19","01:03:44",""
"7247079","8.7126","0.0001","6.0447","0.0001","10.8452","0.0001","90","","91.972","0.001","90","","570.825","0.013","302.98","0.1","302.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0303","0.0301","","","0.0773","0.0775","","","","","","1.086","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247088","6.88033","0.00005","8.96243","0.00008","20.89332","0.00015","90","","91.9928","0.0006","90","","1287.6","0.017","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H26 O12 -","- C30 H26 O12 -","- C60 H52 O24 -","2","1","","Zhang, Yiqing; Luo, Luyao; Zhu, Shuaiming; Niu, Shubin; Zhang, Youzhi; Zhang, Yang","Cladoxanthones C–G, xanthone derivatives from Cladosporium sp.","RSC Advances","2023","13","32","21954","21961","10.1039/D3RA04012G","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0627","0.0629","","","","","","1.076","","","","has coordinates","285307","2023-07-21","01:16:41",""
"7247129","11.9068","0.0017","4.8812","0.0007","22.718","0.004","90","","94.231","0.004","90","","1316.8","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","2","","Su, Yu; Wang, Chengyi; Chen, Qipeng; Zhu, Yuanli; Deng, Shaomin; Yang, Shoujin; Jin, Ronghua; Liu, Guohua","Harmonization of an incompatible aqueous aldol condensation/oxa-Michael addition/reduction cascade process over a core–shell-structured thermoresponsive catalyst","Green Chemistry","2023","25","17","6859","6868","10.1039/D3GC01670F","","","0.71073","MoKα","","0.1491","0.0702","","","0.1558","0.2035","","","","","","1.041","","","","has coordinates,has disorder","286138","2023-09-05","19:56:41",""
"7247146","14.8728","0.0007","3.8786","0.0002","15.4857","0.0008","90","","115.182","0.005","90","","808.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 B N3 O2 -","- C19 H14 B N3 O2 -","- C38 H28 B2 N6 O4 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0793","0.0579","","","0.1394","0.1579","","","","","","1.007","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247183","9.3875","0.0002","5.3588","0.0001","34.5503","0.0007","90","","92.723","0.002","90","","1736.12","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethoxy-m-bisazobenzene","","","- C40 H36 N8 O4 -","- C40 H36 N8 O4 -","- C80 H72 N16 O8 -","2","1","","Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo","Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density","RSC Advances","2023","13","34","24031","24037","10.1039/D3RA04595A","","x-ray","0.71073","MoKα","","0.0395","0.036","","","0.0983","0.0998","","","","","","1.125","","","","has coordinates","285615","2023-08-11","00:57:38",""
"7247184","7.109","0.0001","6.3535","0.0001","23.47","0.0006","90","","95.487","0.002","90","","1055.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","1","","Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo","Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density","RSC Advances","2023","13","34","24031","24037","10.1039/D3RA04595A","","x-ray","0.71073","MoKα","","0.0444","0.0412","","","0.1151","0.118","","","","","","0.923","","","","has coordinates","285615","2023-08-11","00:57:38",""
"7247294","8.2044","0.0002","9.6553","0.0003","8.2874","0.0002","90","","105.887","0.001","90","","631.42","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Cl5 I N -","- C6 H7 Cl5 I N -","- C12 H14 Cl10 I2 N2 -","2","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.015","0.0145","","","0.0336","0.0338","","","","","","1.053","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247347","7.7936","0.0004","15.7909","0.0009","14.0517","0.0008","90","","95.771","0.002","90","","1720.55","0.16","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C76 H52 Cu2 N4 P2 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1085","0.0484","","","0.0682","0.078","","","","","","0.925","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247379","7.97","0.0005","11.1812","0.0006","7.9888","0.0004","90","","110.788","0.007","90","","665.57","0.07","299","0.2","299","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0583","0.0433","","","0.0875","0.0974","","","","","","0.978","","","","has coordinates","289571","2024-02-04","12:17:28",""
"7247414","14.3474","0.0005","4.428","0.0001","14.8423","0.0005","90","","109.905","0.001","90","","886.6","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 F O5 -","- C20 H21 F O5 -","- C40 H42 F2 O10 -","2","1","","Huo, Zhipeng; Min, Delin; Zhang, Shijie; Tang, Mei-Lin; Sun, Xun","Discovery of Novel Tubulin CBSI (R)-9k from Indanone Scaffold for the Treatment of Colorectal Cancer","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00337J","","","1.54178","CuKα","","0.0356","0.032","","","0.0844","0.0872","","","","","","1.078","","","","has coordinates","286368","2023-09-16","23:35:33",""
"7247437","10.7008","0.0004","13.6759","0.0003","11.2342","0.0005","90","","113.51","0.005","90","","1507.58","0.11","180","0.1","180","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 Co I O3 P S -","- C29 H31 Cl2 Co I O3 P S -","- C58 H62 Cl4 Co2 I2 O6 P2 S2 -","2","1","","Ma, Shuang-Shuang; Sun, Rui; Zhang, Zi-Heng; Guan, Peng-Xin; Lin, Jin-Qing; Li, Chun-Shan; Xu, Bao-Hua","Co(dppbsa)-catalyzed reductive N,N-dimethylation of nitroaromatics with CO2 and hydrosilane","Green Chemistry","2023","25","21","8625","8632","10.1039/D3GC02517A","","x-ray","0.71073","MoKα","","0.049","0.0403","","","0.0837","0.0883","","","","","","1.018","","","","has coordinates,has disorder","287361","2023-11-06","07:45:21",""
"7247451","3.8427","0.0006","17.047","0.003","11.6457","0.0018","90","","97.752","0.007","90","","755.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0535","0.0418","","","0.0736","0.0769","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247494","11.5778","0.0007","12.0547","0.0007","12.4212","0.0008","90","","111.23","0.004","90","","1615.94","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H31 Ag2 F6 N O6 S4 -","- C25 H31 Ag2 F6 N O6 S4 -","- C50 H62 Ag4 F12 N2 O12 S8 -","2","1","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0349","0.032","","","0.0659","0.0675","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:27",""
"7247498","11.19827","0.00002","27.60749","0.00006","18.08478","0.00004","90","","90.5504","0.0002","90","","5590.76","0.02","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H35.787 O2 Si2 -","- C48 H35.7873 O2 Si2 -","- C288 H214.724 O12 Si12 -","6","3","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","x-ray","1.54184","CuKα","","0.0365","0.0358","","","0.1006","0.1014","","","","","","1.0446","","","","has coordinates,has disorder","287420","2023-11-06","08:28:02",""
"7247505","10.4843","0.0001","12.9441","0.0001","14.1716","0.0001","90","","108.937","0.001","90","","1819.13","0.03","170","0.11","170","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Fe N2 P -","- C38 H47 Cl2 Fe N2 P -","- C76 H94 Cl4 Fe2 N4 P2 -","2","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.064","0.0636","","","0.1646","0.1649","","","","","","1.065","","","","has coordinates","286955","2023-10-13","01:42:20",""
"7247527","5.768","0.00005","9.9821","0.0001","15.6039","0.0001","90","","100.441","0.001","90","","883.546","0.013","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.026","0.0256","","","0.0674","0.0677","","","","","","1.038","","","","has coordinates","287035","2023-10-19","01:37:57",""
"7247643","7.712","0.0015","7.481","0.0015","11.062","0.002","90","","108.44","0.03","90","","605.4","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N3-protonated Cytidine nitrate","","- C9 H14 N4 O8 -","- C9 H14 N4 O8 -","- C18 H28 N8 O16 -","2","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.71073","MoKα","","0.0314","0.0311","","","0.0838","0.0843","","","","","","1.075","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247822","7.9718","0.0005","14.0812","0.0009","11.5373","0.0008","90","","95.204","0.002","90","","1289.75","0.15","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N4 O13 P -","- C19 H29 Co N4 O13 P -","- C38 H58 Co2 N8 O26 P2 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0436","0.0333","","","0.063","0.0664","","","","","","0.977","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247825","11.7","0.002","31.93","0.006","11.774","0.002","90","","106.376","0.007","90","","4220.1","1.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H82 Co2 N20 O30 P2 -","- C58 H82 Co2 N20 O30 P2 -","- C116 H164 Co4 N40 O60 P4 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0635","0.0534","","","0.1351","0.1402","","","","","","1.021","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247835","15.156","0.0003","6.0528","0.0001","20.8658","0.0004","90","","104.934","0.001","90","","1849.5","0.06","297","2","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C92 H96 N8 -","4","2","","Yang, Zhi; Chen, Yu; Wan, Linxi; Li, Yuxiao; Chen, Dan; Tao, Jianlin; Tang, Pei; Chen, Fen-Er","Iridium-catalyzed asymmetric, complete hydrogenation of pyrimidinium salts under batch and flow","Green Chemistry","2024","26","1","317","322","10.1039/D3GC04364A","","","1.54178","CuKα","","0.0513","0.0457","","","0.1214","0.1257","","","","","","1.065","","","","has coordinates","289567","2024-02-04","12:16:59",""
"7247862","10.2826","0.0003","6.9016","0.0002","11.6832","0.0003","90","","114.723","0.001","90","","753.12","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C32 H42 O6 P2 -","2","1","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0333","0.0329","","","0.0844","0.0848","","","","","","1.065","","","","has coordinates,has disorder","289644","2024-02-04","12:31:56",""
"7247863","10.2898","0.001","6.902","0.0006","11.6872","0.0009","90","","114.772","0.003","90","","753.65","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C32 H42 O6 P2 -","2","1","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0408","0.0375","","","0.0979","0.1013","","","","","","1.093","","","","has coordinates,has disorder","289644","2024-02-04","12:31:56",""
"7247865","15.207","0.002","5.1052","0.0007","26.456","0.004","90","","99.547","0.005","90","","2025.5","0.5","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C88 H96 Cl4 N4 O16 -","4","2","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0429","0.0389","","","0.1027","0.1061","","","","","","1.043","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247868","5.9666","0.0005","9.8723","0.0009","12.6022","0.0011","90","","93.118","0.003","90","","741.22","0.11","101","2","101","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","1","0.5","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0234","0.0231","","","0.0615","0.0617","","","","","","1.046","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247870","9.224","0.0006","5.0773","0.0003","13.2741","0.0009","90","","107.467","0.002","90","","593","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O4 -","- C9 H16 Cl N O4 -","- C18 H32 Cl2 N2 O8 -","2","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0219","0.0212","","","0.0527","0.0531","","","","","","1.075","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247901","3.8778","0.0005","12.9392","0.0017","16.735","0.002","90","","92.968","0.003","90","","838.56","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H12 Br2 N2 -","- C21 H12 Br2 N2 -","- C42 H24 Br4 N4 -","2","1","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","","0.71073","MoKα","","0.0297","0.0255","","","0.054","0.0549","","","","","","0.951","","","","has coordinates","290220","2024-03-04","20:32:17",""
"7247916","9.2164","0.0001","12.1632","0.0002","9.8754","0.0001","90","","96.584","0.001","90","","1099.74","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br N16 O16 -","- C10 H9 Br N16 O16 -","- C20 H18 Br2 N32 O32 -","2","1","","Jing, Suming; Deng, Jiahao; Li, Cong; Liu, Yucun; Zhu, Jin; Wang, Yuanyuan; Zhang, Wei; Liu, Jia","High energy explosive with low sensitivity: a new energetic cocrystal based on CL-20 and BMDNP","CrystEngComm","2024","26","8","1126","1132","10.1039/D3CE01118F","","x-ray","1.54184","CuKα","","0.0215","0.0211","","","0.0556","0.0559","","","","","","1.062","","","","has coordinates","290139","2024-03-04","20:06:16",""
"7247934","12.328","0.002","8.7496","0.0015","15.981","0.003","90","","102.026","0.003","90","","1686","0.5","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","R- (3,3'-phenyl)-5,5'6,6',7',8,8'-octahydro-[1,1'-dinaphthalene]-2,2'-diol","","- C39.2 H51.6 O5.6 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Li, Fangxiu; Sun, Yue; Sun, Xiaoxia; Hu, Yu","Self-assembled bamboo-like carbon nanotubes based on chiral H8BINOL sensors to recognize cinchonidine efficiently by diastereoisomer complexes","RSC Advances","2024","14","2","1134","1140","10.1039/D3RA08143E","","","0.71073","MoKα","","0.1243","0.0859","","","0.2423","0.2788","","","","","","1.015","","","","has coordinates,has disorder","288623","2024-01-03","02:33:43",""
"7247941","13.7742","0.0006","21.713","0.0016","15.1389","0.0006","90","","91.337","0.004","90","","4526.5","0.4","100","","100","","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","Phe(4I)_ASC","","- C82 H106 I2 N17 O13 S4 -","- C82 H106 I2 N17 O13 S4 -","- C164 H212 I4 N34 O26 S8 -","2","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.1296","0.1093","","","0.293","0.3125","","","","","","1.17","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247944","15.648","0.0001","16.8169","0.0002","16.1537","0.0002","90","","95.683","0.001","90","","4229.97","0.08","100","","100","","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","Phe(4Br)_ASC","","- C80 H101 Br2 N17 O12 S4 -","- C80 H101 Br2 N17 O12 S4 -","- C160 H202 Br4 N34 O24 S8 -","2","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0828","0.0719","","","0.1901","0.2378","","","","","","1.069","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247945","15.6272","0.0002","16.6962","0.0002","16.1368","0.0002","90","","95.44","0.001","90","","4191.37","0.09","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","Phe(4Cl)_ASC","","- C40 H50.5 Cl N8.5 O6 S2 -","- C40 H50.5 Cl N8.5 O6 S2 -","- C160 H202 Cl4 N34 O24 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0436","0.0428","","","0.1329","0.1337","","","","","","0.718","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247952","5.0351","0.0002","25.7114","0.001","8.667","0.0003","90","","106.89","0.004","90","","1073.63","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","1.54184","CuKα","","0.0561","0.0505","","","0.1278","0.1334","","","","","","1.054","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247954","4.9438","0.0001","17.0476","0.0003","8.7107","0.0002","90","","105.326","0.002","90","","708.03","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 N3 O5 S -","- C10 H21 N3 O5 S -","- C20 H42 N6 O10 S2 -","2","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0369","0.0338","","","0.0868","0.0886","","","","","","1.044","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247966","12.929","0.003","3.949","0.0008","13.092","0.003","90","","103.7","0.03","90","","649.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 O -","- C20 H12 O -","- C40 H24 O2 -","2","1","","Bao, Yishu; Ma, Siyuan; Zhu, Jin; Dai, Zonghao; Zhou, Qikun; Yang, Xiuqin; Zhou, Qingfa; Yang, Fulai","TfOH-catalyzed transfer hydrogenation reaction using 1-tetralone as a novel dihydrogen source","Green Chemistry","2024","26","3","1356","1362","10.1039/D3GC04699K","","","0.71073","MoKα","","0.2159","0.0612","","","0.0674","0.1006","","","","","","0.931","","","","has coordinates","290222","2024-03-04","20:32:29",""
"7247985","7.6256","0.0006","28.525","0.002","14.6246","0.0011","90","","102.751","0.004","90","","3102.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35.5 H40 Cl N O6 -","- C35.5 H40 Cl N O6 -","- C142 H160 Cl4 N4 O24 -","4","2","","Hobson, Adrian D.; Zhu, Haizhong; Qiu, Wei; Judge, Russell; Longenecker, Kenton","Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00540B","","","1.54178","CuKα","","0.0454","0.0411","","","0.0987","0.1013","","","","","","1.052","","","","has coordinates","288993","2024-01-10","00:52:02",""
"7247990","12.3634","0.0007","18.1775","0.0011","16.4172","0.0008","90","","100.662","0.0019","90","","3625.8","0.3","191","","191","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0465","0.0425","","","0.104","0.1075","","","","","","1.043","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247991","12.3427","0.0011","18.1743","0.0013","16.3681","0.0014","90","","100.677","0.003","90","","3608.1","0.5","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0498","0.0436","","","0.1072","0.1128","","","","","","1.01","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247993","12.1126","0.0009","18.5566","0.0014","16.3863","0.0011","90","","98.127","0.002","90","","3646.1","0.5","188","","188","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0592","0.0428","","","0.1052","0.1209","","","","","","1.066","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247995","12.0645","0.0006","18.5409","0.0011","16.4406","0.0008","90","","98.0231","0.0016","90","","3641.5","0.3","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0846","0.045","","","0.0999","0.1441","","","","","","1.129","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7248012","10.7787","0.0006","10.3552","0.0006","11.3624","0.0007","90","","116.81","0.002","90","","1131.9","0.12","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N2 O5 S2 -","- C21 H16.006 Cl N2 O5 S2 -","- C42 H32.012 Cl2 N4 O10 S4 -","2","1","","Rana, Soumitra; Basu, Soumyadip; Bera, Aswini; Saha, Pinaki; Ghosh, Prasanta; Khatua, Bhanu Bhusan; Mukhopadhyay, Chhanda","“On-water” synthesis of thioxoimidazolidinone-isatin/ninhydrin conjugates, followed by temperature-induced dehydration by a ZnMnO3@Ni(OH)2 nano-catalyst","Green Chemistry","2024","26","5","2750","2762","10.1039/D3GC03730D","","","0.71073","MoKα","","0.0534","0.0416","","","0.1079","0.116","","","","","","0.804","","","","has coordinates,has disorder","290999","2024-04-04","23:54:34",""
"7248061","7.1953","0.0003","25.4666","0.0009","10.1699","0.0004","90","","107.729","0.004","90","","1775.03","0.13","101","2","101","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 Br4 -","- C42 H38 Br4 -","- C84 H76 Br8 -","2","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0458","0.0374","","","0.0644","0.0665","","","","","","1.034","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248121","4.763","0.007","10.544","0.016","15.14","0.02","90","","96.49","0.04","90","","755.5","1.9","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N2 O -","- C17 H20 N2 O -","- C34 H40 N4 O2 -","2","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.3128","0.0847","","","0.1055","0.1474","","","","","","0.87","","","","has coordinates","289780","2024-02-10","02:24:57",""
"7248181","12.34031","0.00009","7.13358","0.00005","24.66536","0.00018","90","","101.406","0.0003","90","","2128.42","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-2-cyclohexyl-2-(p-tolylthio)ethyl 3,5-dinitrobenzoate","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C88 H96 N8 O24 S4 -","4","2","","Wang, Zhen; Gausmann, Marcel; Dickoff, Jan-Hendrik; Christmann, Mathias","Iodine-enabled organoelectrocatalysis: enantioselective cross dehydrogenative coupling of sulfides and aldehydes","Green Chemistry","2024","26","5","2546","2551","10.1039/D3GC03828A","","","1.54178","CuKα","","0.0567","0.0552","","","0.1228","0.1244","","","","","","1.124","","","","has coordinates","291000","2024-04-04","23:54:42",""
"7248197","4.176","0.0008","11.111","0.002","12.236","0.003","90","","93.14","0.03","90","","566.9","0.2","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-diiodo-9H-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C24 H14 I4 N2 -","2","1","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.63","synchrotron","","0.0534","0.0531","","","0.1386","0.1389","","","","","","1.144","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248266","14.637","0.008","19.378","0.009","16.197","0.007","90","","104.947","0.016","90","","4439","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H120 N12 O13 -","- C65 H120 N12 O13 -","- C130 H240 N24 O26 -","2","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.0876","0.0531","","","0.1158","0.1277","","","","","","1.014","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248267","17.73","0.1","10.52","0.06","28.85","0.16","90","","99.42","0.08","90","","5309","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H72 N8 O8 -","- C45 H72 N8 O8 -","- C180 H288 N32 O32 -","4","2","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2139","0.107","","","0.2415","0.2902","","","","","","1.026","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248304","14.645","0.0018","20.687","0.003","15.733","0.002","90","","114.91","0.006","90","","4323.1","1","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C93 H72 Cl12 Fe4 N12 -","- C93 H72 Cl12 Fe4 N12 -","- C186 H144 Cl24 Fe8 N24 -","2","1","","Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard","Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00086B","","","0.71073","MoKα","","0.0488","0.0457","","","0.1213","0.1234","","","","","","1.023","","","","has coordinates,has disorder","290471","2024-03-13","01:12:28",""
"7248311","5.9287","0.0001","22.876","0.0004","10.8603","0.0002","90","","97.155","0.002","90","","1461.46","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Niraparib tosylate L-proline","","- C31 H37 N5 O6 S -","- C31 H37 N5 O6 S -","- C62 H74 N10 O12 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Lakkireddy, Pullareddy; Reddy, Chilla Malla; Chennuru, Ramanaiah","A Zwitterionic Salt-Cocrystal: In-Vitro Insights from Niraparib Tosylate, an Anti-Cancer Drug","CrystEngComm","2024","","","","","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.092","0.0937","","","","","","1.05","","","","has coordinates","290496","2024-03-13","23:37:35",""
"7248312","5.337","0.0002","26.3849","0.0012","8.013","0.0003","90","","108.97","0.002","90","","1067.08","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","2","","Lin, Hung-Chien; Kidonakis, Marios; Kaniraj, J. P.; Kholomieiev, Ihor; Fridrich, Balint; Stuart, Marc C. A.; Minnaard, Adriaan J.","The synthesis of fructose-based surfactants.","Green chemistry : an international journal and green chemistry resource : GC","2024","26","8","4715","4722","10.1039/d4gc00399c","","","1.54178","CuKα","","0.041","0.0371","","","0.0806","0.0824","","","","","","1.051","","","","has coordinates","291660","2024-05-05","03:37:20",""
"7248377","5.424","0.0008","10.6544","0.0014","11.243","0.007","90","","101.4","0.03","90","","636.9","0.4","120.1","0.2","120.1","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H3 Cl3 N4 O5 -","- C9 H3 Cl3 N4 O5 -","- C18 H6 Cl6 N8 O10 -","2","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zu-Jia; Zhang, Jianguo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole:Synthesis, Structure and Properties of a Novel Insensitive Energetic Material","CrystEngComm","2024","","","","","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0463","0.0402","","","0.0687","0.0732","","","","","","0.998","","","","has coordinates","290756","2024-04-03","22:33:05",""
"7248510","11.911","0.004","7.52","0.003","12.479","0.005","90","","117.134","0.009","90","","994.7","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","of 2,3-bis(5-iodo-2-methylthiophen-3-yl)naphthalene-1,4-dione","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","","","","","10.1039/D4CE00112E","","","0.71073","MoKα","","0.1261","0.052","","","0.1111","0.1358","","","","","","0.99","","","","has coordinates,has disorder","291336","2024-04-23","22:32:55",""
"7248511","11.9319","0.001","7.4644","0.0006","12.4586","0.001","90","","117.024","0.002","90","","988.47","0.14","296.15","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","","","","","10.1039/D4CE00112E","","","0.71073","MoKα","","0.0768","0.0432","","","0.1184","0.1317","","","","","","1.106","","","","has coordinates","291336","2024-04-23","22:32:56",""
"7700029","10.7587","0.0002","43.2244","0.0008","19.8552","0.0003","90","","91.064","0.002","90","","9231.8","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C117 H94 N2 O6 P4 Ru2 -","- C117 H94 N2 O6 P4 Ru2 -","- C468 H376 N8 O24 P16 Ru8 -","4","2","","Gong, Dawei; Hu, Bowen; Chen, Dafa","Bidentate Ru(ii)-NC complexes as catalysts for the dehydrogenative reaction from primary alcohols to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8826","8834","10.1039/c9dt01414d","","x-ray","0.71073","MoKα","","0.0709","0.0508","","","0.0856","0.0956","","","","","","1.038","","","","has coordinates","223781","2020-10-21","18:00:00",""
"7700030","9.5001","0.0006","18.0623","0.0018","19.7718","0.0015","90","","97.105","0.006","90","","3366.7","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H57 La -","- C39 H57 La -","- C156 H228 La4 -","4","2","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0698","0.0519","","","0.0789","0.0845","","","","","","1.02","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700033","9.4762","0.0003","18.0442","0.0007","19.7324","0.0007","90","","97.142","0.003","90","","3347.9","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H57 Pr -","- C39 H57 Pr -","- C156 H228 Pr4 -","4","2","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0578","0.0392","","","0.0629","0.0689","","","","","","1.031","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700113","14.129","0.003","15.027","0.003","16.584","0.003","90","","109.97","0.02","90","","3309.3","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H82 N17 Na O25 Yb2 -","- C54 H77 N17 Na O25 Yb2 -","- C108 H154 N34 Na2 O50 Yb4 -","2","1","","Starynowicz, Przemysław; Lisowski, Jerzy","Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8717","8724","10.1039/c9dt01318k","","","0.71073","MoKα","","0.0321","0.0281","","","0.0697","0.0723","","","","","","1.057","","","","has coordinates","223788","2020-10-21","18:00:00",""
"7700126","13.6184","0.0007","17.4744","0.0008","17.393","0.0012","90","","93.479","0.005","90","","4131.4","0.4","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","Rh(cod)Cl(4-F-IPh)","rhodium(cycloocatdienyl)(1,3-bis(4-fluorophenyl)imidazol-2-ylidene)chloride","","- C92 H88 Cl4 F8 N8 Rh4 -","- C92 H88 Cl4 F8 N8 Rh4 -","- C184 H176 Cl8 F16 N16 Rh8 -","2","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.102","0.0748","","","0.1413","0.158","","","","","","1.045","","","","has coordinates","224202","2020-10-21","18:00:00",""
"7700185","8.632","0.0017","12.927","0.003","10.003","0.002","90","","114.42","0.03","90","","1016.3","0.4","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H23 Cl N6 O P Rh -","- C17 H23 Cl N6 O P Rh -","- C34 H46 Cl2 N12 O2 P2 Rh2 -","2","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0687","","","","","","1.074","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700208","10.3789","0.0003","25.764","0.0007","15.3261","0.0004","90","","108.342","0.001","90","","3890.02","0.19","170","2","169.99","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H95 N4 O5 Si2 Y Zn -","- C65 H95 N4 O5 Si2 Y Zn -","- C130 H190 N8 O10 Si4 Y2 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO2 with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0723","0.0557","","","0.1305","0.1419","","","","","","1.008","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700209","10.3709","0.0002","26.047","0.0005","15.2688","0.0003","90","","108.685","0.001","90","","3907.18","0.13","170","2","169.99","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H95 N4 O5 Si2 Sm Zn -","- C65 H95 N4 O5 Si2 Sm Zn -","- C130 H190 N8 O10 Si4 Sm2 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO2 with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0452","0.0412","","","0.1043","0.1078","","","","","","1.027","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700210","10.4278","0.0002","25.8777","0.0004","15.2743","0.0002","90","","108.646","0.0008","90","","3905.39","0.11","170","2","170.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H97 Dy N4 O5 Si2 Zn -","- C66 H97 Dy N4 O5 Si2 Zn -","- C132 H194 Dy2 N8 O10 Si4 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO2 with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0647","0.062","","","0.1772","0.1797","","","","","","1.055","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700211","10.3825","0.0002","26.0638","0.0005","15.2519","0.0003","90","","108.751","0.0009","90","","3908.22","0.13","173","2","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H97 N4 O5 Si2 Sm Zn -","- C66 H97 N4 O5 Si2 Sm Zn -","- C132 H194 N8 O10 Si4 Sm2 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO2 with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0362","0.0356","","","0.0959","0.0966","","","","","","1.03","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700212","10.3888","0.0002","26.3263","0.0005","15.2186","0.0003","90","","108.876","0.001","90","","3938.42","0.13","170","2","169.99","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H97 La N4 O5 Si2 Zn -","- C66 H97 La N4 O5 Si2 Zn -","- C132 H194 La2 N8 O10 Si4 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO2 with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0579","0.0565","","","0.1501","0.1518","","","","","","1.026","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700217","10.959","0.004","13.572","0.004","13.075","0.004","90","","105.899","0.004","90","","1870.3","1","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H45 B N6 O2 P Se Y -","- C36 H45 B N6 O2 P Se Y -","- C72 H90 B2 N12 O4 P2 Se2 Y2 -","2","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.0772","0.0441","","","0.0792","0.0868","","","","","","0.901","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700220","10.95","0.006","13.491","0.007","13.08","0.007","90","","105.461","0.007","90","","1862.3","1.7","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H45 B N6 O2 P S Y -","- C36 H45 B N6 O2 P S Y -","- C72 H90 B2 N12 O4 P2 S2 Y2 -","2","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1377","0.0758","","","0.1382","0.1589","","","","","","0.968","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700249","7.4127","0.0003","12.3217","0.0005","10.0582","0.0004","90","","105.694","0.002","90","","884.44","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H33 Li N2 Si -","- C14 H33 Li N2 Si -","- C28 H66 Li2 N4 Si2 -","2","1","","Knauer, Lena; Wattenberg, Jonathan; Kroesen, Ulrike; Strohmann, Carsten","The smaller, the better? How the aggregate size affects the reactivity of (trimethylsilyl)methyllithium.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11285","11291","10.1039/c9dt02182e","","x-ray","0.71073","MoKα","","0.0345","0.0334","","","0.0885","0.0898","","","","","","1.047","","","","has coordinates","224341","2020-10-21","18:00:00",""
"7700252","9.731","0.0008","18.7611","0.0016","13.3099","0.0011","90","","99.441","0.002","90","","2397","0.3","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H44 Cu2 N12 O22 S2 -","- C42 H44 Cu2 N12 O22 S2 -","- C84 H88 Cu4 N24 O44 S4 -","2","1","","Tayade, Sakharam B.; Lllathvalappil, Rajith; Lapalikar, Vaidehi; Markad, Datta; Kurungot, Sreekumar; Pujari, Bhalchandra; Kumbhar, Avinash S.","A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11034","11044","10.1039/c9dt01983a","","","1.54178","CuKα","","0.0364","0.0355","","","0.0924","0.0932","","","","","","1.02","","","","has coordinates","223750","2020-10-21","18:00:00",""
"7700294","11.9551","0.0015","6.9902","0.0007","19.284","0.002","90","","108.879","0.003","90","","1524.8","0.3","133","","133","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 N3 Ni O4 -","- C35 H41 N3 Ni O4 -","- C70 H82 N6 Ni2 O8 -","2","1","","Oshita, Hiromi; Suzuki, Takashi; Kawashima, Kyohei; Abe, Hitoshi; Tani, Fumito; Mori, Seiji; Yajima, Tatsuo; Shimazaki, Yuichi","The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(ii)-salen type complex. Comparison with the corresponding Cu(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12060","12069","10.1039/c9dt01887e","","","0.71075","MoKα","","0.1349","0.0729","","","0.169","0.2136","","","","","","1.007","","","","has coordinates","223918","2020-10-21","18:00:00",""
"7700295","10.7322","0.0005","38.488","0.002","11.7318","0.0007","90","","97.443","0.007","90","","4805.1","0.4","133","","133","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H43 Cl4 F6 N3 Ni O4 Sb -","- C37 H43 Cl4 F6 N3 Ni O4 Sb -","- C148 H172 Cl16 F24 N12 Ni4 O16 Sb4 -","4","2","","Oshita, Hiromi; Suzuki, Takashi; Kawashima, Kyohei; Abe, Hitoshi; Tani, Fumito; Mori, Seiji; Yajima, Tatsuo; Shimazaki, Yuichi","The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(ii)-salen type complex. Comparison with the corresponding Cu(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12060","12069","10.1039/c9dt01887e","","","0.71075","MoKα","","0.0981","0.0703","","","0.1887","0.2148","","","","","","1.028","","","","has coordinates","223918","2020-10-21","18:00:00",""
"7700329","18.2006","0.0007","17.8315","0.0007","30.6879","0.0014","90","","91.136","0.002","90","","9957.6","0.7","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C190 H428 Cl10 N12 O207.66 S19 Ti36 -","- C190 H428 Cl10 N12 O207.664 S18.9998 Ti36 -","- C190 H428 Cl10 N12 O207.664 S18.9998 Ti36 -","1","0.5","","Kozma, Karoly; Wang, Maoyu; Molina, Pedro I.; Martin, Nicolas P.; Feng, Zhenxing; Nyman, May","The role of titanium-oxo clusters in the sulfate process for TiO2 production.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11086","11093","10.1039/c9dt01337g","","x-ray","1.54178","CuKα","","0.1097","0.0856","","","0.2186","0.2391","","","","","","1.02","","","","has coordinates,has disorder","223755","2020-10-21","18:00:00",""
"7700349","9.3617","0.0014","27.208","0.004","10.4378","0.0016","90","","90.585","0.004","90","","2658.5","0.7","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H64 Co2 N16 Na2 O8 -","- C46 H64 Co2 N16 Na2 O8 -","- C92 H128 Co4 N32 Na4 O16 -","2","1","","Banerjee, Abhisek; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11433","11447","10.1039/c9dt01818b","","","0.71073","MoKα","","0.0695","0.0636","","","0.1798","0.1889","","","","","","1.15","","","","has coordinates","224347","2020-10-21","18:00:00",""
"7700475","7.6879","0.0002","5.9905","0.0001","15.1858","0.0004","90","","93.2052","0.0008","90","","698.28","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 F5 N4 -","- C15 H9 F5 N4 -","- C30 H18 F10 N8 -","2","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","1.54178","CuKα","","0.0253","0.0248","","","0.0641","0.0648","","","","","","1.053","","","","has coordinates","224368","2020-10-21","18:00:00",""
"7700480","9.18","0.003","9.941","0.003","11.212","0.004","90","","102.531","0.003","90","","998.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl N3 Ni O -","- C24 H18 Cl N3 Ni O -","- C48 H36 Cl2 N6 Ni2 O2 -","2","1","","You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao","Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12219","12227","10.1039/c9dt02361e","","","0.71073","MoKα","","0.0221","0.0207","","","0.0496","0.0504","","","","","","1.043","","","","has coordinates","223922","2020-10-21","18:00:00",""
"7700495","9.9777","0.0005","7.6944","0.0004","12.0138","0.0006","90","","92.813","0.002","90","","921.22","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Mo N O2 -","- C23 H17 Mo N O2 -","- C46 H34 Mo2 N2 O4 -","2","1","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0181","0.0172","","","0.0445","0.0451","","","","","","1.091","","","","has coordinates,has disorder","223912","2020-10-21","18:00:00",""
"7700497","9.9642","0.0005","7.6797","0.0004","12.0078","0.0005","90","","92.657","0.001","90","","917.87","0.08","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C23 H17 N O2 W -","- C23 H17 N O2 W -","- C46 H34 N2 O4 W2 -","2","1","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0179","0.0173","","","0.043","0.0435","","","","","","1.086","","","","has coordinates,has disorder","223912","2020-10-21","18:00:00",""
"7700499","12.2756","0.0005","27.6227","0.0011","15.3654","0.0006","90","","90.256","0.001","90","","5210.1","0.4","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21 1","P 2yb","4","","","","- C24 H18 B F4 N3 O2 W -","- C24 H18 B F4 N3 O2 W -","- C192 H144 B8 F32 N24 O16 W8 -","8","4","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0427","0.0373","","","0.092","0.0943","","","","","","1.029","","","","has coordinates","223912","2020-10-21","18:00:00",""
"7700573","11.0638","0.0005","7.7724","0.0003","18.4728","0.0008","90","","106.359","0.001","90","","1524.21","0.11","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Al N2 O -","- C16 H19 Al N2 O -","- C64 H76 Al4 N8 O4 -","4","2","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0311","0.0289","","","0.0827","0.085","","","","","","1.012","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700601","9.2782","0.0004","18.5496","0.0007","12.291","0.0004","90","","90.788","0.003","90","","2115.17","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 Cu N3 O2 -","- C25 H23 Cu N3 O2 -","- C100 H92 Cu4 N12 O8 -","4","2","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0619","0.0432","","","0.0808","0.0868","","","","","","1.02","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700639","10.0824","0.0003","8.3838","0.0002","10.9546","0.0004","90","","104.184","0.004","90","","897.75","0.05","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C4 H16 Br5 N2 O Pb S2 -","- C4 H16 Br5 N2 O Pb S2 -","- C8 H32 Br10 N4 O2 Pb2 S4 -","2","1","","Hu, Yue-Qiao; Hui, Hong-Yan; Wen, Hong-Qiang; Wang, Yanyan; Lin, Wei-Quan; Yang, De-Suo; Feng, Guo-Dong","Tracking the dimensional conversion process of semiconducting lead bromide perovskites by mass spectroscopy, powder X-ray diffraction, microcalorimetry and crystallography.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12888","12894","10.1039/c9dt02068c","","x-ray","0.71073","MoKα","","0.0298","0.0254","","","0.0461","0.0471","","","","","","0.994","","","","has coordinates","224525","2020-10-21","18:00:00",""
"7700657","9.5204","0.0002","20.3906","0.0003","10.6522","0.0002","90","","115.409","0.002","90","","1867.85","0.07","100","0.1","100","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C36 H37 B Cu N6 O2 P Se W -","- C36 H37 B Cu N6 O2 P Se W -","- C72 H74 B2 Cu2 N12 O4 P2 Se2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","1.54184","CuKα","","0.0328","0.03","","","0.072","0.0731","","","","","","1.02","","","","has coordinates","223973","2020-10-21","18:00:00",""
"7700704","8.9756","0.0003","12.4952","0.0004","9.3428","0.0003","90","","108.347","0.002","90","","994.55","0.06","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Cl2 N4 O Se2 -","- C18 H20 Cl2 N4 O Se2 -","- C36 H40 Cl4 N8 O2 Se4 -","2","1","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0602","0.0356","","","0.0583","0.0635","","","","","","0.995","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700846","11.57442","0.00018","42.0951","0.0006","13.615","0.0003","90","","98.1209","0.0018","90","","6567.1","0.2","99.9","0.2","99.9","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65.5 H83.5 N4 O4.5 P Ru S4 -","- C65.5 H83.5 N4 O4.5 P Ru S4 -","- C262 H334 N16 O18 P4 Ru4 S16 -","4","2","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl2 and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","0.71073","MoKα","","0.0557","0.0472","","","0.0974","0.1023","","","","","","1.001","","","","has coordinates","224505","2020-10-21","18:00:00",""
"7700891","10.6107","0.0001","13.4082","0.0001","18.7629","0.0002","90","","93.534","0.001","90","","2664.33","0.04","180.15","","180.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H38 Cl6 Cu2 I2 N P3 -","- C53 H38 Cl6 Cu2 I2 N P3 -","- C106 H76 Cl12 Cu4 I4 N2 P6 -","2","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.34143","GaKα","","0.0769","0.0748","","","0.2003","0.2042","","","","","","1.017","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7701099","11.2277","0.0011","21.034","0.002","17.164","0.0018","90","","98.416","0.002","90","","4009.9","0.7","100","2","99.95","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C79 H58 Au B2 Cl4 F33 N3 P -","- C79 H58 Au B2 Cl4 F33 N3 P -","- C158 H116 Au2 B4 Cl8 F66 N6 P2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0561","0.0361","","","0.0692","0.076","","","","","","0.79","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701103","12.1872","0.0017","19","0.003","14.971","0.002","90","","111.618","0.003","90","","3222.8","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H46 B2 F30 N3 Na O4 -","- C64 H46 B2 F30 N3 Na O4 -","- C128 H92 B4 F60 N6 Na2 O8 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.11","0.0753","","","0.2094","0.2399","","","","","","1.034","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701108","11.4352","0.0019","20.494","0.003","17.462","0.003","90","","98.794","0.004","90","","4044.2","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H57 Au B2 F30 N3 O2 P -","- C78 H57 Au B2 F30 N3 O2 P -","- C156 H114 Au2 B4 F60 N6 O4 P2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0367","0.0295","","","0.0576","0.0592","","","","","","0.856","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701121","8.9848","0.0011","7.3395","0.0008","9.5296","0.0009","90","","101.101","0.004","90","","616.66","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- F3 N3 O9 Rb3 Sb -","- F3 N3 O9 Rb3 Sb -","- F6 N6 O18 Rb6 Sb2 -","2","1","","Wang, Lei; Yang, Fei; Zhao, Xiaoyu; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Rb3SbF3(NO3)3: an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15144","15150","10.1039/c9dt03233a","","","0.71073","MoKα","","0.0314","0.0274","","","0.0632","0.0674","","","","","","1.023","","","","has coordinates","224240","2020-10-21","18:00:00",""
"7701242","9.877","0.003","19.118","0.006","13.864","0.004","90","","110.002","0.004","90","","2460","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26.5 H28 Al Cl N4 -","- C26.5 H28 Al Cl N4 -","- C106 H112 Al4 Cl4 N16 -","4","2","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.106","0.0685","","","0.1554","0.1795","","","","","","0.997","","","","has coordinates,has disorder","224244","2020-10-21","18:00:00",""
"7701244","12.8797","0.0012","17.8443","0.0017","15.4734","0.0015","90","","104.716","0.003","90","","3439.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 Al N4 O5 -","- C32 H37 Al N4 O5 -","- C128 H148 Al4 N16 O20 -","4","2","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.169","0.0701","","","0.1667","0.2255","","","","","","0.984","","","","has coordinates,has disorder","224244","2020-10-21","18:00:00",""
"7701269","6.8275","0.0002","22.0294","0.0007","10.7863","0.0003","90","","101.659","0.001","90","","1588.85","0.08","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H16 Au Cl2 N O2 S2 -","- C10 H16 Au Cl2 N O2 S2 -","- C40 H64 Au4 Cl8 N4 O8 S8 -","4","2","","Brustolin, L.; Pettenuzzo, N.; Nardon, C.; Quarta, S.; Marchiò, L; Biondi, B.; Pontisso, P.; Fregona, D.","Au(iii)-Proline derivatives exhibiting selective antiproliferative activity against HepG2/SB3 apoptosis-resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16017","16025","10.1039/c9dt03036k","","","0.71073","MoKα","","0.019","0.0173","","","0.0352","0.0358","","","","","","0.919","","","","has coordinates","224014","2020-10-21","18:00:00",""
"7701270","6.985","0.002","22.283","0.007","11.048","0.003","90","","102.358","0.005","90","","1679.7","0.8","293","2","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H16 Au Br2 N O2 S2 -","- C10 H16 Au Br2 N O2 S2 -","- C40 H64 Au4 Br8 N4 O8 S8 -","4","2","","Brustolin, L.; Pettenuzzo, N.; Nardon, C.; Quarta, S.; Marchiò, L; Biondi, B.; Pontisso, P.; Fregona, D.","Au(iii)-Proline derivatives exhibiting selective antiproliferative activity against HepG2/SB3 apoptosis-resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16017","16025","10.1039/c9dt03036k","","","0.71073","MoKα","","0.0681","0.0436","","","0.0805","0.0903","","","","","","0.946","","","","has coordinates","224014","2020-10-21","18:00:00",""
"7701290","8.5713","0.001","14.3669","0.0017","8.9521","0.001","90","","115.407","0.002","90","","995.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Cl3 Dy N4 -","- C16 H22 Cl3 Dy N4 -","- C32 H44 Cl6 Dy2 N8 -","2","1","","Wu, Haipeng; Li, Min; Yin, Bing; Xia, Zhengqiang; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties","Dalton Transactions","2019","","","","","10.1039/C9DT03292D","","","0.71073","MoKα","","0.0188","0.0181","","","0.044","0.0444","","","","","","0.922","","","","has coordinates","218990","2020-10-21","18:00:00",""
"7701357","11.2811","0.0007","17.899","0.0009","14.2259","0.0008","90","","109.443","0.006","90","","2708.7","0.3","130","2","130","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C56 H57 Cl I Mn N3 O4 P4 -","- C56 H57 Cl I Mn N3 O4 P4 -","- C112 H114 Cl2 I2 Mn2 N6 O8 P8 -","2","1","","Artem'ev, Alexander; Davydova, Maria; Berezin, Alexey S.; Brel, Valery K.; Morgalyuk, Vasilii; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.","Luminescence of Mn2+ ion in non-Oh and Td coordination environments: the missing case of square-pyramid","Dalton Transactions","2019","","","","","10.1039/C9DT03283E","","x-ray","0.71073","MoKα","","0.0293","0.0269","","","0.0622","0.0642","","","","","","1.036","","","","has coordinates","219307","2020-10-21","18:00:00",""
"7701402","6.6503","0.0005","6.5941","0.0005","6.8024","0.0005","90","","104.64","0.002","90","","288.62","0.04","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H O8 S2 Tb -","- H O8 S2 Tb -","- H2 O16 S4 Tb2 -","2","1","","Netzsch, Philip; Bariss, Harijs; Bayarjargal, Lkhamsuren; Höppe, Henning A.","Tb(HSO4)(SO4) ‒ a green emitting hydrogensulfate sulfate with second harmonic generation response","Dalton Transactions","2019","","","","","10.1039/C9DT03436F","","","0.71073","MoKα","","0.025","0.0208","","","0.0358","0.0367","","","","","","0.926","","","","has coordinates","219447","2020-10-21","18:00:00",""
"7701539","8.9371","0.0016","5.9272","0.0014","10.126","0.002","90","","100.986","0.01","90","","526.56","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 N2 Na O2 -","- C9 H13 N2 Na O2 -","- C18 H26 N4 Na2 O4 -","2","1","","Borrego, Elena; Nicasio, Antonio I.; Álvarez, Eleuterio; Montilla, Francisco; Córdoba, José Manuel; Galindo, Agustín","Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8731","8739","10.1039/c9dt01237k","","","0.71073","MoKα","","0.026","0.0242","","","0.0636","0.0647","","","","","","1.042","","","","has coordinates","223298","2020-10-21","18:00:00",""
"7701540","7.3765","0.001","5.4966","0.0007","9.5682","0.0011","90","","112.168","0.006","90","","359.27","0.08","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Ag N2 O2 -","- C6 H7 Ag N2 O2 -","- C12 H14 Ag2 N4 O4 -","2","1","","Borrego, Elena; Nicasio, Antonio I.; Álvarez, Eleuterio; Montilla, Francisco; Córdoba, José Manuel; Galindo, Agustín","Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8731","8739","10.1039/c9dt01237k","","","0.71073","MoKα","","0.0751","0.0747","","","0.1874","0.1877","","","","","","1.167","","","","has coordinates","223298","2020-10-21","18:00:00",""
"7701702","12.849","0.002","20.749","0.004","14.436","0.003","90","","97.129","0.005","90","","3818.9","1.2","93","","93","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28.25 H26.5 Cl2.5 F15 O3 P Ru S3 -","- C28.25 H26.5 Cl2.5 F15 O3 P Ru S3 -","- C113 H106 Cl10 F60 O12 P4 Ru4 S12 -","4","2","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.0684","0.0516","","","0.1068","0.1197","","","","","","1.082","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701708","14.2417","0.0002","22.3662","0.0004","16.4812","0.0003","90","","97.5685","0.0008","90","","5204.07","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H78 B2 N6 -","- C54 H78 B2 N6 -","- C216 H312 B8 N24 -","4","2","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","0.71073","MoKα","","0.0908","0.0611","","0.1562","0.1292","0.1562","","","","","","0.9471","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701721","9.182","0.003","12.106","0.004","12.576","0.004","90","","108.9","0.03","90","","1322.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O2 Zn -","- C30 H34 N2 O2 Zn -","- C60 H68 N4 O4 Zn2 -","2","1","","Petrus, Rafał; Sobota, Piotr","A new, simple, and efficient strategy for the preparation of active antifungal biodegradable materials via ring-opening polymerization of l-lactide with zinc aryloxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8193","8208","10.1039/c9dt00627c","","","0.71073","MoKα","","0.041","0.0346","","","0.0888","0.0912","","","","","","1.011","","","","has coordinates,has disorder","223344","2020-10-21","18:00:00",""
"7701774","13.2444","0.0013","17.0667","0.0017","16.6189","0.0017","90","","91.476","0.003","90","","3755.3","0.7","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C76 H77 B Cl4 F4 Mn4 N4 O16 -","- C76 H74 B Cl4 F4 Mn4 N4 O16 -","- C152 H148 B2 Cl8 F8 Mn8 N8 O32 -","2","1","","Ogawa, Rina; Suzuki, Takayoshi; Hirotsu, Masakazu; Nishi, Noriyuki; Shimizu, Yuu; Sunatsuki, Yukinari; Teki, Yoshio; Kinoshita, Isamu","Tetra- and dinuclear manganese complexes of xanthene-bridged O,N,O-Schiff bases with 3-hydroxypropyl or 2-hydroxybenzyl groups: ligand substitution at a triply bridging site.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13622","13629","10.1039/c9dt03007g","","","0.710747","MoKα","","0.0897","0.0707","","","0.1729","0.1913","","","","","","1.031","","","","has coordinates,has disorder","223356","2020-10-21","18:00:00",""
"7701776","9.9557","0.0005","23.6054","0.001","12.2129","0.0006","90","","105.187","0.005","90","","2769.9","0.2","119.6","0.8","120.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Br7 Cr Mn N O12 -","- C40 H41 Br7 Cr Mn N O12 -","- C80 H82 Br14 Cr2 Mn2 N2 O24 -","2","1","","Martínez-Hernández, Cristian; Gómez-Claramunt, Patricia; Benmansour, Samia; Gómez-García, Carlos J","Pre- and post-synthetic modulation of the ordering temperatures in a family of anilato-based magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13212","13223","10.1039/c9dt02275a","","","0.71073","MoKα","","0.107","0.0842","","","0.2077","0.2222","","","","","","1.029","","","","has coordinates","223357","2020-10-21","18:00:00",""
"7701799","11.15","0.003","18.158","0.005","11.986","0.003","90","","96.932","0.005","90","","2409","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H54 Cd2 Cl4 N6 O10 -","- C44 H54 Cd2 Cl4 N6 O10 -","- C88 H108 Cd4 Cl8 N12 O20 -","2","1","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.0531","0.0466","","","0.1341","0.1442","","","","","","1.088","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701908","13.573","0.003","21.542","0.004","14.019","0.003","90","","93.46","0.03","90","","4091.5","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H86 Mo12 N4 O50 P -","- C51 H86 Mo12 N4 O50 P -","- C102 H172 Mo24 N8 O100 P2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0576","0.0565","","","0.1514","0.1519","","","","","","1.136","","","","has coordinates","227808","2020-10-21","18:00:00",""
"7701928","4.203","0.001","8.045","0.002","14.929","0.005","90","","91.16","0.02","90","","504.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H7 O2 S2 Tl -","- C8 H7 O2 S2 Tl -","- C16 H14 O4 S4 Tl2 -","2","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71075","MoKα","","0.0431","0.0418","","","0.1453","0.1471","","","","","","1.113","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701990","9.9701","0.0002","14.6823","0.0003","12.4003","0.0003","90","","108.994","0.001","90","","1716.37","0.07","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Br N Ni O P -","- C40 H41 Br N Ni O P -","- C80 H82 Br2 N2 Ni2 O2 P2 -","2","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0269","0.0236","","","0.0549","0.056","","","","","","1.01","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7702004","23.235","0.005","11.855","0.002","36.749","0.007","90","","95.26","0.03","90","","10080","3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C171 H180 Cd4 Cl N9 Ni4 O31 -","- C171 H180 Cd4 Cl N9 Ni4 O31 -","- C342 H360 Cd8 Cl2 N18 Ni8 O62 -","2","1","","Ren, Yanwei; Cheng, Xiaofei; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng; Mao, Qiuping","A chiral mixed metal-organic framework based on a Ni(saldpen) metalloligand: synthesis, characterization and catalytic performances.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9930","9937","10.1039/c3dt50664a","","","0.71073","MoKα","","0.1037","0.0739","","","0.1811","0.1979","","","","","","0.978","","","","has coordinates","232619","2020-10-21","18:00:00",""
"7702074","10.5571","0.0005","11.6652","0.0005","11.9053","0.0008","90","","95.008","0.007","90","","1460.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H48 Cl4 Nb P4 -","- C20 H48 Cl4 Nb P4 -","- C40 H96 Cl8 Nb2 P8 -","2","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.017","0.0166","","","0.0402","0.0404","","","","","","1.066","","","","has coordinates,has disorder","234732","2020-10-21","18:00:00",""
"7702103","7.2443","0.0003","11.2723","0.0004","7.9616","0.0003","90","","116.177","0.005","90","","583.46","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl4 Nb S2 -","- C4 H10 Cl4 Nb S2 -","- C8 H20 Cl8 Nb2 S4 -","2","1","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0178","0.0177","","","0.045","0.0452","","","","","","1.044","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702151","5.60643","0.00011","12.4389","0.00022","5.37101","0.0001","90","","105.756","0.001","90","","360.489","0.012","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 Mn N O7 P -","- C3 Mn N O7 P -","- C6 Mn2 N2 O14 P2 -","2","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.04086","","1.74","","","","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702152","5.4372","0.0004","9.9568","0.0007","7.6434","0.0007","90","","98.03","0.008","90","","409.73","0.06","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H10 Co N O8 P -","- C3 H10 Co N O8 P -","- C6 H20 Co2 N2 O16 P2 -","2","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","","","0.71073","MoKα","","0.0338","0.0307","","","0.0621","0.0635","","","","","","1.031","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702172","12.9164","0.0004","13.7903","0.0007","14.8136","0.0005","90","","108.296","0.003","90","","2505.22","0.18","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Cl6 Er2 N4 O16 -","- C34 H36 Cl6 Er2 N4 O16 -","- C68 H72 Cl12 Er4 N8 O32 -","2","1","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0756","0.0619","","","0.1515","0.1623","","","","","","1.063","","","","has coordinates,has disorder","236820","2020-10-21","18:00:00",""
"7702233","10.3616","0.001","11.6941","0.0011","23.226","0.002","90","","100.813","0.005","90","","2764.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H54 Co4 N6 O10 -","- C60 H54 Co4 N6 O10 -","- C120 H108 Co8 N12 O20 -","2","1","","Hollingsworth, Ryan L.; Beattie, Jeffrey W.; Grass, Amanda; Martin, Philip D.; Groysman, Stanislav; Lord, Richard L.","Reactions of dicobalt octacarbonyl with dinucleating and mononucleating bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15353","15363","10.1039/c8dt03405b","","","0.71073","MoKα","","0.0878","0.0491","","","0.0893","0.1019","","","","","","1.0342","","","","has coordinates","236858","2020-10-21","18:00:00",""
"7702259","13.3402","0.0003","10.6845","0.0002","19.5177","0.0004","90","","97.843","0.001","90","","2755.9","0.1","150","2","150","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2 -","- C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2 -","- C106 H100 Cl4 F12 Fe4 N4 O16 P4 Pd2 S4 -","2","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0387","0.0326","","","0.0712","0.0743","","","","","","1.023","","","","has coordinates","237903","2020-10-21","18:00:00",""
"7702266","11.224","0.0003","30.3783","0.0007","12.4349","0.0004","90","","106.902","0.003","90","","4056.7","0.2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22.5 H47 B20 N4 O7.5 S2 -","- C22.5 H47 B20 N4 O7.5 S2 -","- C90 H188 B80 N16 O30 S8 -","4","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0682","0.0452","","","0.0732","0.0801","","","","","","0.987","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702268","11.0139","0.0002","22.1385","0.0003","11.3211","0.0002","90","","105.8","0.002","90","","2656.14","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl2 N4 O7 -","- C21 H30 Cl2 N4 O7 -","- C84 H120 Cl8 N16 O28 -","4","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.059","0.039","","","0.0649","0.0717","","","","","","1.021","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702272","11.9441","0.0002","11.0847","0.0002","13.608","0.0003","90","","103.622","0.002","90","","1750.98","0.06","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H41 B10 Cl N4 O7 S -","- C23 H41 B10 Cl N4 O7 S -","- C46 H82 B20 Cl2 N8 O14 S2 -","2","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0477","0.0383","","","0.0796","0.0847","","","","","","1.018","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702414","13.824","0.003","9.671","0.003","15.292","0.002","90","","112.35","0.01","90","","1890.8","0.8","297.2","","297.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl4 O7 P Ru S3 -","- C29 H43 Cl4 O7 P Ru S3 -","- C58 H86 Cl8 O14 P2 Ru2 S6 -","2","1","","Yamamoto, Yasuhiro; Sugawara, Ken-ichiro; Aiko, Tsuyoshi; Ma, Jian-Fang","Reaction of [RuCl2(DMSO)4] with aromatic phosphines bearing ortho-methoxy groups †","Journal of the Chemical Society, Dalton Transactions","1999","","22","4003","","10.1039/a906435d","","","0.7107","MoKα","","","0.0373","","","0.0405","","","","","1.352","1.352","","","","","has coordinates","243859","2020-10-21","18:00:00",""
"7702529","9.5178","0.0002","13.9439","0.0002","18.3494","0.0002","90","","93.118","0.001","90","","2431.64","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl2 Cu N4 O10 -","- C18 H26 Cl2 Cu N4 O10 -","- C72 H104 Cl8 Cu4 N16 O40 -","4","2","","Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean-Pierre","Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1230","","10.1039/b010074i","","","0.71073","MoKα","","0.0578","0.0388","","","0.0979","0.1087","","","","","","1.003","","","","has coordinates","243894","2020-10-21","18:00:00",""
"7702597","9.38","0.001","20.613","0.002","12.093","0.001","90","","104.27","0.01","90","","2266","0.4","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H58 Cu4 N8 O21 -","- C32 H40 Cu4 N8 O21 -","- C64 H80 Cu8 N16 O42 -","2","1","","Zhang, Hua-Xin; Kang, Bei-Sheng; Xu, An-Wu; Chen, Zhong-Ning; Zhou, Zhong-Yuan; Chan, Albert S. C.; Yu, Kai-Bei; Ren, Chen","Supramolecular architectures from the self-assembly of trans-oxamidato-bridged dicopper(II) building blocks and phenyldicarboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","18","2559","","10.1039/b102570h","","","0.71073","MoKα","","0.05","0.0352","","0.0881","0.0841","","","","0.935","1.037","1.037","","","","","has coordinates","243917","2020-10-21","18:00:00",""
"7702627","10.976","0.002","14.009","0.002","16.347","0.003","90","","107.84","0.01","90","","2392.7","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H48 N10 O17 Zn2 -","- C41 H32 N10 O17 Zn2 -","- C82 H64 N20 O34 Zn4 -","2","1","","Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van","Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3652","","10.1039/b103942n","","","0.71073","MoKα","","0.1178","0.0606","","0.1508","0.122","","","","1.052","1.135","1.135","","","","","has coordinates","243928","2020-10-21","18:00:00",""
"7702736","23.252","0.007","15.228","0.005","12.142","0.003","90","","89.97","0.02","90","","4299","2","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","lambda-Bis(pentane-2,4-dionato)chromium(III)(mu-oxalato)bis(hydridotris- (pyradolyl)borato)samarium(III) Dichloromethane Solvate","","- C31 H36 B2 Cl2 Cr N12 O8 Sm -","- C31 H36 B2 Cl2 Cr N12 O8 Sm -","- C124 H144 B8 Cl8 Cr4 N48 O32 Sm4 -","4","2","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Solution NIR CD and MCD in 4f‒4f transitions of a series of chiral 3d‒4f dinuclear complexes: X-ray structures of (Λ-Δ)-[(acac)2CrIII(μ-ox)LnIII(HBpz3)2] (Ln = Sm, Ho and Er)","Journal of the Chemical Society, Dalton Transactions","2002","","7","1416","","10.1039/b108770c","","","0.71069","MoKα","","0.1075","0.0524","","","0.1388","0.1624","","","","","","1.018","","","","has coordinates","243993","2020-10-21","18:00:00",""
"7702791","5.6141","0.0003","12.4252","0.0006","16.4117","0.0008","90","","98.925","0.001","90","","1130.96","0.1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H30 Mn2 N2 O16 P4 -","- C9 H30 Mn2 N2 O16 P4 -","- C18 H60 Mn4 N4 O32 P8 -","2","1","","Song, Hui-Hua; Yin, Ping; Zheng, Li-Min; Korp, James D.; Jacobson, Allan J.; Gao, Song; Xin, Xin-Quan","Syntheses, crystal structures and magnetic properties of manganese(ii)-hedp compounds involving alkylenediamine templates (hedp = 1-hydroxyethylidene-diphosphonate)","Journal of the Chemical Society, Dalton Transactions","2002","","13","2752","","10.1039/b200814a","","","0.71073","MoKα","","0.0258","0.0246","","","0.0612","0.0617","","","","","","1.066","","","","has coordinates","244017","2020-10-21","18:00:00",""
"7702797","7.4864","0.0002","11.5652","0.0004","8.1257","0.0002","90","","116.501","0.002","90","","629.61","0.03","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl4 Hf Se2 -","- C4 H10 Cl4 Hf Se2 -","- C8 H20 Cl8 Hf2 Se4 -","2","1","","Hart, Richard; Levason, William; Patel, Bhavesh; Reid, Gillian","Synthesis, properties and crystal structures of 6-, 7- and 8-coordinate Zr(iv) and Hf(iv) complexes involving thioether and selenoether ligands","Journal of the Chemical Society, Dalton Transactions","2002","","16","3153","","10.1039/b201080c","","","0.71073","MoKα","","0.0558","0.056","","0.068","","0.068","","","2.282","","","2.28","","","","has coordinates","244018","2020-10-21","18:00:00",""
"7702823","9.1372","0.0018","7.6379","0.0015","9.2014","0.0018","90","","91.57","0.03","90","","641.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H14 Cl2 N O8 Sm -","- C4 H14 Cl2 N O8 Sm -","- C8 H28 Cl4 N2 O16 Sm2 -","2","1","","Torres, Julia; Kremer, Carlos; Kremer, Eduardo; Pardo, Helena; Suescun, Leopoldo; Mombrú, Álvaro; Domínguez, Sixto; Mederos, Alfredo; Herbst-Irmer, Regine; Arrieta, Juan M.","Sm(iii) Complexation with amino acids. Crystal structures of [Sm2(Pro)6(H2O)6](ClO4)6and [Sm(Asp)(H2O)4]Cl2","J. Chem. Soc., Dalton Trans.","2002","","21","4035","","10.1039/B204095F","","","0.71073","MoKα","","0.0357","0.0353","","","0.0887","0.0891","","","","","","1.052","","","","has coordinates","244030","2020-10-21","18:00:00",""
"7702871","12.1434","0.0003","16.3817","0.0004","15.6214","0.0004","90","","107.993","0.0005","90","","2955.58","0.13","296.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H68 F6 N10 O19 Rh2 S2 -","- C44 H68 F6 N10 O19 Rh2 S2 -","- C88 H136 F12 N20 O38 Rh4 S4 -","2","1","","Yamanari, Kazuaki; Ito, Rie; Yamamoto, Shiori; Konno, Takumi; Fuyuhiro, Akira; Kobayashi, Mako; Arakawa, Ryuichi","Diastereomeric separations and crystal structures of rhodium(iii) and iridium(iii) complexes containing adenosine and related nucleosidesElectronic supplementary information (ESI) available: 1H NMR and CD spectra. See http://www.rsc.org/suppdata/dt/b2/b209148h/","Dalton Transactions","2003","","3","380","","10.1039/b209148h","","","0.7107","MoKα","","","0.0483","","","","0.1378","","","","","","1.003","","","","has coordinates","244060","2020-10-21","18:00:00",""
"7702922","16.0139","0.0006","11.7074","0.0004","16.6507","0.0005","90","","91.272","0.001","90","","3120.92","0.18","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 Cd2 N8 O16 -","- C64 H52 Cd2 N8 O16 -","- C128 H104 Cd4 N16 O32 -","2","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe3+, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0531","0.041","","","0.0986","0.1088","","","","","","1.015","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702940","6.6668","0.0003","8.3328","0.0003","12.2584","0.0005","90","","95.937","0.001","90","","677.34","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 O8 P2 Tb -","- C9 H13 O8 P2 Tb -","- C18 H26 O16 P4 Tb2 -","2","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe3+ and Cr2O72.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0503","0.0438","","","0.1058","0.1129","","","","","","1.149","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7703191","10.6351","0.0004","20.9593","0.0007","14.0487","0.0005","90","","93.734","0.002","90","","3124.87","0.19","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd -","- C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd -","- C132 H122 B4 Cl4 F16 Fe4 N14 P4 Pd2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.028","0.0235","","","0.0508","0.0523","","","","","","1.005","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703232","12.244","0.0006","19.7563","0.001","17.8939","0.0009","90","","92.124","0.002","90","","4325.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H65 N3 Na O Re -","- C47 H65 N3 Na O Re -","- C188 H260 N12 Na4 O4 Re4 -","4","2","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0371","0.0357","","","0.0911","0.092","","","","","","1.02","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703299","13.358","0.005","24.83","0.005","17.125","0.005","90","0.005","93.678","0.005","90","0.005","5668","3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C99.97 H156.95 K2 N8 O11.96 W2 -","- C99.97 H156.94 K2 N8 O11.96 W2 -","- C199.94 H313.88 K4 N16 O23.92 W4 -","2","1","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.1214","0.0858","","","0.2061","0.2335","","","","","","1.053","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703330","12.45753","0.0001","28.13655","0.00018","7.85029","0.00006","90","","97.1456","0.0007","90","","2730.25","0.04","173","0.1","173","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl F3 N4 O6 Ru S -","- C23 H28 Cl F3 N4 O6 Ru S -","- C92 H112 Cl4 F12 N16 O24 Ru4 S4 -","4","2","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O2 as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0791","0.0812","","","","","","1.041","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703370","13.876","0.008","25.304","0.014","15.283","0.008","90","","105.803","0.01","90","","5163","5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C75 H75 Ag6 F36 N21 O3 P6 -","- C75 H75 Ag6 F36 N21 O3 P6 -","- C150 H150 Ag12 F72 N42 O6 P12 -","2","1","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.0853","0.062","","","0.1506","0.1738","","","","","","1.033","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703586","18.3452","0.0004","12.386","0.0003","19.8824","0.0004","90","","111.973","0.008","90","","4189.6","0.3","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H48 Au2 N2 Ni O10 P2 S2 -","- C33 H36 Au2 N2 Ni O4 P2 S2 -","- C132 H144 Au8 N8 Ni4 O16 P8 S8 -","4","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1028","0.0647","","","0.1105","0.122","","","","","","1.016","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703589","18.4269","0.0004","12.2826","0.0003","20.006","0.0004","90","","111.579","0.008","90","","4210.6","0.3","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H48 Au2 N2 O10 P2 S2 Zn -","- C33 H36 Au2 N2 O4 P2 S2 Zn -","- C132 H144 Au8 N8 O16 P8 S8 Zn4 -","4","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1237","0.0736","","","0.1341","0.1521","","","","","","1.016","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703696","10.3384","0.0005","17.0645","0.0008","11.1586","0.0006","90","","91.508","0.002","90","","1967.91","0.17","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 B O3 P2 Rh -","- C46 H44 B O3 P2 Rh -","- C92 H88 B2 O6 P4 Rh2 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0287","0.0245","","","0.0481","0.0498","","","","","","1.093","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703752","10.5019","0.0006","10.3649","0.0006","17.149","0.0009","90","","103.169","0.002","90","","1817.6","0.18","120","2","120","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H42 Cl F6 Fe N3 P Pd Sb -","- C35 H42 Cl F6 Fe N3 P Pd Sb -","- C70 H84 Cl2 F12 Fe2 N6 P2 Pd2 Sb2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0126","0.0124","","","0.0312","0.0317","","","","","","1.066","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703823","11.3411","0.0003","20.8867","0.0004","17.3185","0.0003","90","","103.587","0.002","90","","3987.57","0.15","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","cappa-[FeI{(R,R)-Me-DuPhos}2]I2Â.H2O","","","- C36 H58 Fe I2 O P4 -","- C36 H58 Fe I2 O P4 -","- C144 H232 Fe4 I8 O4 P16 -","4","2","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0235","0.0217","","","0.0531","0.0542","","","","","","1.025","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703848","11.6631","0.0002","19.2898","0.0002","20.1981","0.0002","90","","93.545","0.001","90","","4535.45","0.1","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Eu F18 N2 O8 P2 -","- C33 H31 Eu F18 N2 O8 P2 -","- C132 H124 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1127","0.1177","","","","","","1.053","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703849","11.6565","0.0002","19.2883","0.0003","20.1991","0.0003","90","","93.463","0.001","90","","4533.15","0.12","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 F18 Gd N2 O8 P2 -","- C33 H31 F18 Gd N2 O8 P2 -","- C132 H124 F72 Gd4 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0432","0.0395","","","0.1039","0.107","","","","","","1.031","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703850","11.6679","0.0003","19.2967","0.0004","20.2075","0.0004","90","","93.568","0.002","90","","4540.94","0.18","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Eu F18 N2 O8 P2 -","- C32.6845 H31 Eu F18 N2 O8 P2 -","- C130.738 H124 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","x-ray","0.71073","MoKα","","0.0485","0.0418","","","0.1102","0.1142","","","","","","1.042","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703851","11.1654","0.0001","20.571","0.0002","20.3672","0.0002","90","","99.695","0.001","90","","4611.2","0.08","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 F18 Gd N2 O8 P2 -","- C36 H37 F18 Gd N2 O8 P2 -","- C144 H148 F72 Gd4 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0229","0.0212","","","0.0505","0.0512","","","","","","1.026","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703852","11.202","0.0002","20.6003","0.0003","20.384","0.0004","90","","99.687","0.002","90","","4636.83","0.14","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Eu F18 N2 O8 P2 -","- C36 H37.5 Eu F18 N2 O8 P2 -","- C144 H150 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0358","0.0303","","","0.0691","0.0711","","","","","","1.033","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703853","11.1904","0.0001","20.5895","0.0002","20.3663","0.0002","90","","99.79","0.001","90","","4624.16","0.08","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Eu F18 N2 O8 P2 -","- C36 H37 Eu F18 N2 O8 P2 -","- C144 H148 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0272","0.024","","","0.0563","0.0572","","","","","","1.031","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7704064","9.2923","0.0019","16.814","0.003","9.4272","0.0019","90","","114.86","0.03","90","","1336.4","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O5 -","- C28 H34 N4 O5 -","- C56 H68 N8 O10 -","2","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0559","0.0485","","","0.1192","0.1274","","","","","","1.051","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704091","12.0793","0.0006","13.4525","0.0005","15.135","0.0006","90","","111.02","0.002","90","","2295.73","0.17","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Chloridotris{((S)-4-tert-butyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(s-TOABu)(Cl)](BPh4)","","- C48 H62 B Cl N4 Ni O3 -","- C48 H62 B Cl N4 Ni O3 -","- C96 H124 B2 Cl2 N8 Ni2 O6 -","2","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0246","0.0214","","","0.0438","0.0443","","","","","","0.892","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704121","12.0543","0.0003","11.8676","0.0003","12.4149","0.0003","90","","98.794","0.001","90","","1755.14","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H40 Cu F12 N4 O6 -","- C28 H40 Cu F12 N4 O6 -","- C56 H80 Cu2 F24 N8 O12 -","2","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)2 (M = CuII, CoII) and Nd(hfac)3 complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.0308","0.0275","","","0.0639","0.0656","","","","","","1.021","","","","has coordinates","252778","2020-10-21","18:00:00",""
"7704233","9.8985","0.0006","16.8686","0.001","11.0098","0.0006","90","","114.486","0.0019","90","","1673.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 N4 P4 -","- C28 H46 Cl2 N4 P4 -","- C56 H92 Cl4 N8 P8 -","2","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0367","0.0299","","","0.0724","0.0762","","","","","","1.0314","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704357","4.3066","0.0004","17.7428","0.0011","8.1657","0.0005","90","","102.475","0.007","90","","609.22","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 Cl N5 O -","- C11 H12 Cl N5 O -","- C22 H24 Cl2 N10 O2 -","2","1","","Cukierman, Daphne S.; Lázaro, Diana F; Sacco, Pamela; Ferreira, Patrícia R; Diniz, Renata; Fernández, Claudio O; Outeiro, Tiago F.; Rey, Nicolás A","X1INH, an improved next-generation affinity-optimized hydrazonic ligand, attenuates abnormal copper(I)/copper(II)-α-Syn interactions and affects protein aggregation in a cellular model of synucleinopathy.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16252","16267","10.1039/d0dt01138j","","x-ray","0.71073","MoKα","","0.0815","0.0493","","","0.0919","0.1077","","","","","","1.047","","","","has coordinates","288221","2023-12-11","22:20:44",""
"7704472","9.91","0.002","41.067","0.008","10.049","0.002","90","","119.29","0.03","90","","3566.8","1.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H30 As2 F3 N O3 S -","- C39 H30 As2 F3 N O3 S -","- C156 H120 As8 F12 N4 O12 S4 -","4","2","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX2 I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","1.54184","CuKα","","0.099","0.0935","","","0.2843","0.2913","","","","","","1.06","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704473","9.5348","0.0004","8.6886","0.0003","11.8188","0.0008","90","","95.333","0.005","90","","974.88","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 As N0 O4 -","- C22 H21 As O4 -","- C44 H42 As2 O8 -","2","1","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX2 I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","0.71073","MoKα","","0.0372","0.0321","","","0.0636","0.0651","","","","","","1.036","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704524","12.1891","0.0001","10.5285","0.0001","19.6792","0.0001","90","","108.011","0.001","90","","2401.73","0.04","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C48 H52 B Br N8 O2 P2 Pt W -","- C48 H52 B Br N8 O2 P2 Pt W -","- C96 H104 B2 Br2 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ2-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0732","0.0733","","","","","","1.049","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704564","5.7219","0.0002","15.7524","0.0005","12.0932","0.0004","90","","97.513","0.001","90","","1080.65","0.06","102","2","102","2","","","","","","","","6","P 1 21 1","P 2yb","4","PdHL2Cl2","","","- C15 H27 Cl2 N5 O7 Pd -","- C15 H27 Cl2 N5 O7 Pd -","- C30 H54 Cl4 N10 O14 Pd2 -","2","1","","Ozsváth, András; Diószegi, Róbert; Bényei, Attila Csaba; Buglyó, Péter","Pd(ii)-Complexes of a novel pyridinone based tripeptide conjugate: solution and solid state studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9254","9267","10.1039/d0dt01396j","","","0.71073","MoKα","","0.0233","0.0208","","","0.0449","0.0465","","","","","","1.049","","","","has coordinates","254974","2020-10-21","18:00:00",""
"7704571","8.57142","0.00006","14.70541","0.00011","11.09232","0.00008","90","","97.2834","0.0007","90","","1386.86","0.018","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","x-ray","1.54184","CuKα","","0.0251","0.0251","","","0.0655","0.0655","","","","","","1.043","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704573","8.6322","0.0002","14.8439","0.0003","11.1572","0.0003","90","","97.871","0.001","90","","1416.16","0.06","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0378","0.0288","","","0.0659","0.0729","","","","","","0.993","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704586","18.92","0.0004","7.61382","0.00012","19.7486","0.0003","90","","99.5135","0.0016","90","","2805.73","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-((1-(2-ethyl)piperidine)oxy)benzophenylidene)-N'-(naphthalidine)ethylenediaminenickel(II)","","- C33 H33 N3 Ni O3 -","- C33 H33 N3 Ni O3 -","- C132 H132 N12 Ni4 O12 -","4","2","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0357","0.0307","","","0.0783","0.081","","","","","","1.031","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704650","17.9852","0.0016","9.8972","0.0008","19.7318","0.0017","90","","92.578","0.002","90","","3508.8","0.5","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H34 Cl2 F6 N3 P Ru -","- C34.5 H34 Cl2 F6 N3 P Ru -","- C138 H136 Cl8 F24 N12 P4 Ru4 -","4","2","","Chen, Shujiao; Liu, Xicheng; Huang, Jie; Ge, Xingxing; Wang, Qinghui; Yao, Meimei; Shao, Yue; Liu, Tong; Yuan, Xiang-Ai; Tian, Laijin; Liu, Zhe","Triphenylamine/carbazole-modified ruthenium(ii) Schiff base compounds: synthesis, biological activity and organelle targeting.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8774","8784","10.1039/d0dt01547d","","","0.71073","MoKα","","0.0931","0.0598","","","0.1268","0.1428","","","","","","0.882","","","","has coordinates,has disorder","253901","2020-10-21","18:00:00",""
"7704728","6.3218","0.0007","24.686","0.003","9.3234","0.0011","90","","100.936","0.002","90","","1428.6","0.3","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Co N4 O5 -","- C28 H28 Co N4 O5 -","- C56 H56 Co2 N8 O10 -","2","1","","Xu, Xuebin; Liu, Meiying; Liu, Zhiliang","Crystal structures and the ferroelectric properties of homochiral metal-organic frameworks constructed from a single chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10402","10406","10.1039/d0dt01323d","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.0909","0.092","","","","","","1.068","","","","has coordinates,has disorder","257522","2020-10-21","18:00:00",""
"7704767","20.562","0.004","9.4569","0.0018","28.035","0.005","90","","90.843","0.004","90","","5450.9","1.8","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H49 Mn P6 -","- C18 H48.75 Mn P6 -","- C144 H390 Mn8 P48 -","8","4","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)2MnH(C2H4)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.2458","0.0888","","","0.0771","0.1006","","","","","","0.644","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704836","12.5559","0.0006","9.9926","0.0004","14.5754","0.0007","90","","113.235","0.002","90","","1680.4","0.13","298","2","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl2 Co N6 O10 -","- C31 H29 Cl2 Co N6 O10 -","- C62 H58 Cl4 Co2 N12 O20 -","2","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","x-ray","0.71073","MoKα","","0.0486","0.0401","","","0.0982","0.1079","","","","","","1.085","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7705106","13.6988","0.0002","17.3825","0.0003","15.4968","0.0003","90","","90.143","0.002","90","","3690.08","0.11","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H55 Cl2 Dy N2 O2 -","- C36 H55 Cl2 Dy N2 O2 -","- C144 H220 Cl8 Dy4 N8 O8 -","4","2","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy3+-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.035","0.0303","","","0.0688","0.0711","","","","","","1.018","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705112","10.4151","0.0001","25.5169","0.0002","12.1509","0.0001","90","","110.771","0.001","90","","3019.35","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H80 Cl6 Cu2 N4 Se2 -","- C56 H80 Cl6 Cu2 N4 Se2 -","- C112 H160 Cl12 Cu4 N8 Se4 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0873","0.0897","","","","","","1.042","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705117","10.4825","0.0002","25.6926","0.0004","12.1018","0.0002","90","","110.519","0.002","90","","3052.51","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H80 Ag2 Cl6 N4 Se2 -","- C56 H80 Ag2 Cl6 N4 Se2 -","- C112 H160 Ag4 Cl12 N8 Se4 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0299","0.0264","","","0.0557","0.0572","","","","","","1.021","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705148","8.9206","0.0005","18.0297","0.0011","9.9691","0.0007","90","","94.857","0.002","90","","1597.63","0.17","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H28 Co Fe I2 P2 -","- C34 H28 Co Fe I2 P2 -","- C68 H56 Co2 Fe2 I4 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0499","0.0306","","","0.0517","0.0644","","","","","","1.04","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705159","11.4312","0.0007","17.2983","0.0012","19.8767","0.0016","90","","105.599","0.002","90","","3785.7","0.5","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H46 Cl4 Fe N4 Si2 -","- C30 H46 Cl4 Fe N4 Si2 -","- C120 H184 Cl16 Fe4 N16 Si8 -","4","2","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0806","0.0579","","","0.1535","0.1709","","","","","","1.033","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705232","9.1955","0.0003","15.873","0.0005","16.3458","0.0005","90","","92.775","0.003","90","","2383.04","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","2","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","x-ray","0.71073","MoKα","","0.0947","0.0562","","","0.0993","0.1117","","","","","","1.016","","","","has coordinates","257552","2020-10-21","18:00:00",""
"7705252","9.58","0.002","4.8156","0.001","12.595","0.003","90","","103.16","0.03","90","","565.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","1","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines via 2-haloanilines with vinyl azides or 3-phenyl-2H-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","1.54184","CuKα","","0.091","0.0716","","","0.2276","0.2693","","","","","","1.139","","","","has coordinates","258855","2020-11-06","12:19:31",""
"7705275","8.3926","0.0006","5.4095","0.0003","10.6751","0.0008","90","","111.049","0.008","90","","452.31","0.06","288","11","288","11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Br F2 Ga O6 Pb2 Se2 -","- Br F2 Ga O6 Pb2 Se2 -","- Br2 F4 Ga2 O12 Pb4 Se4 -","2","1","","Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","Selenite bromide nonlinear optical materials Pb2GaF2(SeO3)2Br and Pb2NbO2(SeO3)2Br: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14046","14051","10.1039/d0dt02514c","","","0.71073","MoKα","","0.0272","0.0234","","","0.0604","0.0611","","","","","","1.062","","","","has coordinates","258840","2020-11-06","12:16:08",""
"7705276","8.5893","0.0009","5.4553","0.0004","10.8098","0.001","90","","111.962","0.012","90","","469.76","0.08","296.29","0.1","296.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Br Nb O8 Pb2 Se2 -","- Br Nb O8 Pb2 Se2 -","- Br2 Nb2 O16 Pb4 Se4 -","2","1","","Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","Selenite bromide nonlinear optical materials Pb2GaF2(SeO3)2Br and Pb2NbO2(SeO3)2Br: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14046","14051","10.1039/d0dt02514c","","","0.71073","MoKα","","0.0274","0.0258","","","0.0521","0.0526","","","","","","1.021","","","","has coordinates","258840","2020-11-06","12:16:09",""
"7705305","9.7449","0.0003","8.4127","0.0003","9.7717","0.0003","90","","92.4679","0.0015","90","","800.35","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C30 H56 Cl4 N4 O2 -","2","1","","Bakhonsky, Vladyslav V.; Pashenko, Aleksander A.; Becker, Jonathan; Hausmann, Heike; De Groot, Huub J. M.; Overkleeft, Herman S.; Fokin, Andrey A.; Schreiner, Peter R.","Synthesis and antiproliferative activity of hindered, chiral 1,2-diaminodiamantane platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14009","14016","10.1039/d0dt02391d","","","0.71073","MoKα","","0.0207","0.0189","","","0.0511","0.0516","","","","","","1.078","","","","has coordinates","258839","2020-11-06","12:16:00",""
"7705347","12.064","0.015","6.135","0.007","12.744","0.016","90","","114.742","0.012","90","","856.6","1.8","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 As O -","- C21 H17 As O -","- C42 H34 As2 O2 -","2","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[b]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0385","0.0314","","","0.0647","0.068","","","","","","1.015","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705349","10.302","0.003","6.1145","0.0014","14.508","0.003","90","","105.269","0.011","90","","881.6","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 As N -","- C22 H20 As N -","- C44 H40 As2 N2 -","2","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[b]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0403","0.0298","","","0.0551","0.0592","","","","","","0.973","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705440","9.0732","0.0003","19.1434","0.0006","9.8622","0.0003","90","","91.602","0.001","90","","1712.31","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H32 N4 P2 S -","- C39 H32 N4 P2 S -","- C78 H64 N8 P4 S2 -","2","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N3(HCN)3]-, [OCN(HCN)3]-, [SCN(HCN)2]- and [P(CN·HCN)2]- .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.0558","0.0394","","","0.0779","0.0834","","","","","","1.025","","","","has coordinates","258866","2020-11-06","12:23:30",""
"7705684","13.0258","0.0007","18.9888","0.0011","13.8042","0.0008","90","","113.24","0.0017","90","","3137.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C85 H68 N2 Sm -","- C85 H68 N2 Sm -","- C170 H136 N4 Sm2 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (ArBIG-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0752","0.0527","","","0.0885","0.0984","","","","","","1.022","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7705710","15.3724","0.0007","20.4341","0.0006","16.3173","0.0006","90","","97.312","0.003","90","","5083.9","0.3","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H63 N3 Nd O18 P3 -","- C39 H63 N3 Nd O18 P3 -","- C156 H252 N12 Nd4 O72 P12 -","4","2","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0572","0.0432","","","0.1052","0.1162","","","","","","1.035","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705822","8.244","0.004","15.11","0.006","9.885","0.004","90","","107.249","0.005","90","","1176","0.9","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl Cu Fe N3 -","- C25 H29 Cl Cu Fe N3 -","- C50 H58 Cl2 Cu2 Fe2 N6 -","2","1","","Haraguchi, Ryosuke; Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-Ichi","Planar-chiral ferrocene-based triazolylidene copper complexes: synthesis, characterization, and catalysis in asymmetric borylation of α,β-unsaturated ester.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17578","17583","10.1039/d0dt03213a","","","0.71075","MoKα","","0.0472","0.042","","","0.0982","0.0991","","","","","","1","","","","has coordinates","260764","2021-01-07","06:23:33",""
"7705867","6.542","0.0002","17.0906","0.0004","11.7543","0.0003","90","","103.659","0.003","90","","1277.04","0.06","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 F2 Mn N2 O4.5 -","- C30 H23 F2 Mn N2 O4.5 -","- C60 H46 F4 Mn2 N4 O9 -","2","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0311","0.0298","","","0.0716","0.0723","","","","","","1.054","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705868","6.5321","0.0004","17.0704","0.0007","11.7309","0.0008","90","","103.224","0.006","90","","1273.37","0.13","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 F2 Mn N2 O4.5 -","- C30 H23 F2 Mn N2 O4.5 -","- C60 H46 F4 Mn2 N4 O9 -","2","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0889","0.0535","","","0.0901","0.1008","","","","","","0.999","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705871","11.226","0.002","6.4276","0.0013","11.494","0.002","90","","99.141","0.006","90","","818.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 Si2 -","- C14 H18 O3 Si2 -","- C28 H36 O6 Si4 -","2","1","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - en route formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0877","0.0582","","","0.1363","0.1546","","","","","","1.201","","","","has coordinates,has disorder","259692","2020-12-09","03:13:41",""
"7706129","10.6462","0.0013","9.5942","0.0013","17.992","0.002","90","","98.317","0.005","90","","1818.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H64 Cl12 N12 O0 Ru2 -","- C76 H64 Cl12 N12 Ru2 -","- C76 H64 Cl12 N12 Ru2 -","1","0.5","","Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina","A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17375","17387","10.1039/d0dt03548c","","","0.71073","MoKα","","0.0732","0.0544","","","0.1095","0.1172","","","","","","1.032","","","","has coordinates","259998","2020-12-19","03:28:19",""
"7706233","8.5057","0.0006","15.5308","0.0011","9.3697","0.0007","90","","101.896","0.003","90","","1211.16","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Ce N7 O10 -","- C19 H24 Ce N7 O10 -","- C38 H48 Ce2 N14 O20 -","2","1","","Pilichos, E.; Font-Bardia, M; Escuer, A.; Mayans, J.","Structural and magnetic studies of mononuclear lanthanide complexes derived from N-rich chiral Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1746","1753","10.1039/d0dt04224b","","","0.71073","MoKα","","0.0235","0.0204","","","0.0374","0.0395","","","","","","1.091","","","","has coordinates","262621","2021-03-05","01:59:11",""
"7706260","10.107","0.002","11.107","0.002","12.096","0.002","90","","108.775","0.008","90","","1285.6","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","[(Thioatocarbonyldiamine-κS)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)](η6-p-cymene)ruthenium(II)] chloride","","- C24 H30 Cl N3 O Ru S2 -","- C24 H30 Cl N3 O Ru S2 -","- C48 H60 Cl2 N6 O2 Ru2 S4 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing N-, P-, and S-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0671","0.0649","","","0.1821","0.1833","","","","","","1.171","","","","has coordinates","260512","2021-01-05","07:26:28",""
"7706273","10.608","0.009","17.057","0.015","10.701","0.009","90","","90.415","0.011","90","","1936","3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state via two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKa","","0.086","0.0559","","","0.1309","0.1455","","","","","","0.955","","","","has coordinates","260515","2021-01-05","07:29:28",""
"7706274","10.85","0.002","17.085","0.004","11.085","0.003","90","","94.362","0.016","90","","2048.9","0.8","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 F6 Mn2 N12 O6 P -","- C30 H42 F6 Mn2 N12 O6 P -","- C60 H84 F12 Mn4 N24 O12 P2 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state via two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","1.54178","CuKα","","0.1846","0.1227","","","0.2936","0.3399","","","","","","1.074","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706275","10.308","0.003","17.943","0.005","11.085","0.003","90","","94.077","0.003","90","","2045.1","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state via two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKa","","0.0791","0.0582","","","0.1252","0.1302","","","","","","0.866","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706276","10.532","0.002","17.537","0.004","10.786","0.002","90","","93.607","0.002","90","","1988.2","0.7","252","2","252","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state via two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKα","","0.0826","0.0526","","","0.1233","0.1386","","","","","","1.013","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706279","10.923","0.0009","28.185","0.003","14.6929","0.0013","90","","90.176","0.002","90","","4523.4","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O8 Rh2 S -","- C19 H24 N2 O8 Rh2 S -","- C152 H192 N16 O64 Rh16 S8 -","8","4","","Cressy, Derek; Zavala, Cristian; Abshire, Anthony; Sheffield, William; Darko, Ampofo","Tuning Rh(II)-catalysed cyclopropanation with tethered thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15779","15787","10.1039/d0dt03019h","","","0.71073","MoKα","","0.0311","0.028","","","0.064","0.066","","","","","","1.0607","","","","has coordinates","260517","2021-01-05","07:31:00",""
"7706282","10.3912","0.0006","13.1366","0.0007","10.9967","0.0006","90","","100.438","0.006","90","","1476.26","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H38 N10 O2 Zn2 -","- C26 H38 N10 O2 Zn2 -","- C52 H76 N20 O4 Zn4 -","2","1","","Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman","Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15481","15503","10.1039/d0dt02941f","","","0.71073","MoKα","","0.0922","0.0691","","","0.1725","0.1935","","","","","","1.081","","","","has coordinates,has disorder","260519","2021-01-05","07:33:38",""
"7706362","14.055","0.002","11.8205","0.0014","15.0133","0.0016","90","","98.271","0.009","90","","2468.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","4-Cl(Cl)","","- C13 H30 B Cl3 F P4 Pt2 -","- C13 H30 B Cl3 F P4 Pt2 -","- C52 H120 B4 Cl12 F4 P16 Pt8 -","4","2","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0145","0.0142","","","0.0326","0.0327","","","","","","1.079","","","","has coordinates,has disorder","263751","2021-04-05","14:46:35",""
"7706473","8.0476","0.0003","15.1435","0.0006","13.6841","0.0005","90","","98.924","0.001","90","","1647.48","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H54 O2 Tl2 -","- C34 H54 O2 Tl2 -","- C68 H108 O4 Tl4 -","2","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl2(OR)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0312","0.0264","","","0.0503","0.0519","","","","","","1.033","","","","has coordinates","262658","2021-03-05","02:09:04",""
"7706489","10.0603","0.0002","9.3452","0.0002","14.9643","0.0003","90","","103.994","0.001","90","","1365.12","0.05","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 F5 N5 -","- C31 H26 F5 N5 -","- C62 H52 F10 N10 -","2","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","","0.71073","MoKα","","0.0593","0.0408","","","0.0927","0.1031","","","","","","1.034","","","","has coordinates,has disorder","262618","2021-03-05","01:58:32",""
"7706532","9.2921","0.0002","14.6419","0.0004","14.6728","0.0003","90","","99.445","0.002","90","","1969.23","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","2,7?-dibromo-9-bis(cyclopentadienyl)titanafluorene","2,7?-dibromo-9-bis(cyclopentadienyl)titanafluorene","","- C45 H34 Br4 Cl2 Ti2 -","- C45 H34 Br4 Cl2 Ti2 -","- C90 H68 Br8 Cl4 Ti4 -","2","1","","Tanudjaja, Alvin; Inagi, Shinsuke; Kitamura, Fusao; Takata, Toshikazu; Tomita, Ikuyoshi","An air-stable organometallic polymer containing titanafluorene moieties obtained by the Sonogashira-Hagihara cross-coupling polycondensation.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","3037","3043","10.1039/d0dt03663c","","","1.54184","CuKα","","0.0287","0.0283","","","0.0734","0.0737","","","","","","1.059","","","","has coordinates","262601","2021-03-05","01:54:09",""
"7706544","10.05338","0.00011","18.29549","0.00018","19.0563","0.0002","90","","100.737","0.001","90","","3443.7","0.06","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H50 Mg N2 O2 -","- C38 H50 Mg N2 O2 -","- C152 H200 Mg4 N8 O8 -","4","2","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral C2-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.033","0.0312","","","0.0799","0.0816","","","","","","0.983","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706615","13.1699","0.0001","18.4488","0.0001","17.904","0.0001","90","","106.073","0.001","90","","4180.07","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H110 Ce N9 O17 P4 -","- C74 H110 Ce N9 O17 P4 -","- C148 H220 Ce2 N18 O34 P8 -","2","1","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1H-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.038","0.0377","","","0.0986","0.099","","","","","","1.046","","","","has coordinates","263741","2021-04-05","14:43:03",""
"7706619","7.7603","0.0018","14.896","0.004","10.661","0.002","90","","106.229","0.009","90","","1183.3","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H36 B2 O2 V2 -","- C20 H33.604 B2 O2 V2 -","- C40 H67.208 B4 O4 V4 -","2","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","","0.71073","MoKα","","0.1409","0.0786","","","0.1932","0.2385","","","","","","1.045","","","","has coordinates,has disorder","263774","2021-04-05","14:53:45",""
"7706648","7.7723","0.0015","11.348","0.002","10.801","0.002","90","","90.105","0.009","90","","952.6","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H11 B8 Cl -","- C3 H11 B8 Cl -","- C12 H44 B32 Cl4 -","4","2","","Bakardjiev, Mario; Holub, Josef; R°užičková, Zdeňka; R°užička, Aleš; Fanfrlík, Jindřich; Štíbr, Bohumil; McKee, Michael L.; Hnyk, Drahomír","Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: Z-rearrangement.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12098","12106","10.1039/d0dt04225k","","","0.71073","MoKα","","0.109","0.0939","","","0.2024","0.212","","","","","","1.137","","","","has coordinates","269731","2021-10-06","15:43:02",""
"7706714","9.5692","0.0001","12.8337","0.0002","20.1024","0.0003","90","","91.986","0.001","90","","2467.26","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H50 Fe2 Hg O P2 Pd -","- C61 H50 Fe2 Hg O P2 Pd -","- C122 H100 Fe4 Hg2 O2 P4 Pd2 -","2","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bockfeld, Dirk; Tamm, Matthias; Jäkle, Frieder","Palladium(0) complexes of diferrocenylmercury diphosphines: synthesis, X-ray structure analyses, catalytic isomerization, and C-Cl bond activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4512","4518","10.1039/d1dt00641j","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1015","0.1019","","","","","","1.127","","","","has coordinates","266052","2021-06-05","18:44:14",""
"7706741","9.302","0.003","12.216","0.003","24.174","0.007","90","","99.794","0.003","90","","2706.9","1.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H68 Cl2 Mn2 N8 O11 -","- C57 H67 Cl2 Mn2 N8 O11 -","- C114 H134 Cl4 Mn4 N16 O22 -","2","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)2Mn2(iii,iii) and (μ-O)2Mn2(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.7107","MoKα","","0.0452","0.0423","","","0.1068","0.1103","","","","","","1.077","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706797","9.6727","0.0004","16.603","0.0005","14.007","0.0006","90","","97.695","0.001","90","","2229.21","0.15","200","2","200.02","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H41 B Cu F4 N3 O P2 -","- C51 H41 B Cu F4 N3 O P2 -","- C102 H82 B2 Cu2 F8 N6 O2 P4 -","2","1","","Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Bright bluish-green emitting Cu(I) complexes exhibiting efficient thermally activated delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5171","5176","10.1039/d0dt04424e","","","0.71073","MoKα","","0.0466","0.0393","","","0.0876","0.0936","","","","","","1.047","","","","has coordinates","264904","2021-05-05","08:42:02",""
"7706800","8.3572","0.0009","13.626","0.0015","9.7363","0.001","90","","100.369","0.002","90","","1090.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Au Cl3 N2 O -","- C21 H24 Au Cl3 N2 O -","- C42 H48 Au2 Cl6 N4 O2 -","2","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0238","0.0222","","","0.0458","0.0463","","","","","","0.774","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706801","8.4305","0.0002","14.1308","0.0004","9.2329","0.0002","90","","115.901","0.001","90","","989.43","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Au Cl N2 O -","- C20 H24 Au Cl N2 O -","- C40 H48 Au2 Cl2 N4 O2 -","2","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0267","0.0233","","","0.0469","0.048","","","","","","0.932","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706803","8.3792","0.0005","15.8615","0.001","8.5517","0.0005","90","","109.741","0.001","90","","1069.78","0.11","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H48 Au2 Cl6 N4 O2 -","- C40 H48 Au2 Cl6 N4 O2 -","- C40 H48 Au2 Cl6 N4 O2 -","1","0.5","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","","0.71073","MoKα","","0.0382","0.032","","","0.0771","0.0798","","","","","","1.049","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706809","15.3777","0.0003","24.2581","0.0004","18.4918","0.0003","90","","91.983","0.001","90","","6893.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C73 H100 S2 Sn2 -","- C73 H100 S2 Sn2 -","- C292 H400 S8 Sn8 -","4","2","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0718","0.0759","","","","","","0.979","","","","has coordinates,has disorder","266060","2021-06-05","18:46:43",""
"7706817","8.80821","0.00015","10.91184","0.00019","11.1489","0.0002","90","","105.48","0.0018","90","","1032.69","0.03","128","5","128","5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Fe N2 O2 -","- C24 H26 Fe N2 O2 -","- C48 H52 Fe2 N4 O4 -","2","1","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.0363","0.0353","","","0.0923","0.0933","","","","","","1.041","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706881","8.06366","0.00015","16.5756","0.0003","12.1507","0.0002","90","","103.532","0.0019","90","","1578.98","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 F9 N2 O Pt -","- C29 H45 F9 N2 O Pt -","- C58 H90 F18 N4 O2 Pt2 -","2","1","","Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil","Hydrogen bonding to metals as a probe for an inverted ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5465","5472","10.1039/d1dt00597a","","","0.71073","MoKα","","0.0333","0.0303","","","0.0678","0.071","","","","","","1.025","","","","has coordinates","266024","2021-06-05","18:36:30",""
"7706897","7.4915","0.0014","12.296","0.002","9.6832","0.0018","90","","95.837","0.008","90","","887.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H20 Br2.06 Cl0.94 N2 Nb O4 -","- C10 H20 Br2.049 Cl0.951 N2 Nb O4 -","- C20 H40 Br4.098 Cl1.902 N4 Nb2 O8 -","2","1","","Bresciani, Giulio; Zacchini, Stefano; Marchetti, Fabio; Pampaloni, Guido","Non-precious metal carbamates as catalysts for the aziridine/CO2 coupling reaction under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5351","5359","10.1039/d1dt00525a","","","0.71073","MoKα","","0.0523","0.0427","","","0.0902","0.094","","","","","","1.018","","","","has coordinates","266083","2021-06-05","18:53:06",""
"7706952","15.525","0.003","11.785","0.002","23.532","0.005","90","","108.241","0.004","90","","4089.1","1.4","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H24 B2 F10 O4 -","- C52 H24 B2 F10 O4 -","- C208 H96 B8 F40 O16 -","4","2","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","0.71073","MoKα","","0.0908","0.0598","","","0.1098","0.1221","","","","","","1.014","","","","has coordinates","266059","2021-06-05","18:46:15",""
"7706954","10.9371","0.0001","19.1375","0.0001","12.8579","0.0001","90","","92.182","0.001","90","","2689.32","0.04","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H62 B Cl4 N4 O4 P -","- C58.001 H62.002 B Cl4.002 N4 O4 P -","- C116.002 H124.004 B2 Cl8.004 N8 O8 P2 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","x-ray","1.54184","CuKα","","0.0366","0.0361","","","0.0931","0.0937","","","","","","1.007","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706967","10.46816","0.00018","10.86892","0.00015","11.7321","0.00018","90","","91.3805","0.0016","90","","1334.46","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Co N3 O2 S -","- C28 H31 Co N3 O2 S -","- C56 H62 Co2 N6 O4 S2 -","2","1","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.041","0.0328","","","0.073","0.0764","","","","","","1.038","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706968","11.83518","0.00011","11.45668","0.00012","16.88113","0.00015","90","","102.335","0.0009","90","","2236.1","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 Co I N3 O2 -","- C22 H26 Co I N3 O2 -","- C88 H104 Co4 I4 N12 O8 -","4","2","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0318","0.0271","","","0.0505","0.0522","","","","","","1.043","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706969","10.4793","0.0002","14.5506","0.0003","16.9441","0.0004","90","","91.139","0.002","90","","2583.13","0.09","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H35 Co N3 O3 Si -","- C25 H35 Co N3 O3 Si -","- C100 H140 Co4 N12 O12 Si4 -","4","2","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0674","0.047","","","0.1033","0.1131","","","","","","1.028","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706970","9.30263","0.00012","8.28334","0.00008","16.9709","0.0002","90","","103.224","0.0013","90","","1273.05","0.03","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H35 Co N3 O2 P -","- C25 H35 Co N3 O2 P -","- C50 H70 Co2 N6 O4 P2 -","2","1","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0309","0.0281","","","0.065","0.0662","","","","","","1.044","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706971","12.2841","0.0002","6.01267","0.00011","17.83","0.0003","90","","100.466","0.0019","90","","1295.02","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Co F N3 O2 -","- C30 H30 Co F N3 O2 -","- C60 H60 Co2 F2 N6 O4 -","2","1","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0532","0.0403","","","0.0748","0.0801","","","","","","1.046","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706972","10.37052","0.00017","14.5624","0.0002","16.5891","0.0004","90","","90.6321","0.0017","90","","2505.13","0.08","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Co N3 O3 -","- C26 H35 Co N3 O3 -","- C104 H140 Co4 N12 O12 -","4","2","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0448","0.0367","","","0.0836","0.0879","","","","","","1.016","","","","has coordinates,has disorder","266043","2021-06-05","18:42:16",""
"7706982","12.3901","0.0005","19.3151","0.0008","24.4122","0.0011","90","","104.287","0.002","90","","5661.5","0.4","100.02","","100.02","","","","","","","","","7","P 1 21 1","P 2yb","4","","Tris((1R,2R)-(-)-1,2-diphenylethylenediamine)Chromium(III)Chloride","","- C96 H138 Cl6 Cr2 N12 O9 S2 -","- C96 H138 Cl6 Cr2 N12 O9 S2 -","- C192 H276 Cl12 Cr4 N24 O18 S4 -","2","1","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.1009","0.0853","","","0.2412","0.2622","","","","","","1.04","","","","has coordinates,has disorder","266080","2021-06-05","18:52:32",""
"7707192","7.6895","0.0005","15.8557","0.0007","8.957","0.0004","90","","93.905","0.005","90","","1089.52","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H24 Br4.73 Cl1.26 Hg2 N2 -","- C8 H24 Br4.73 Cl1.27 Hg2 N2 -","- C16 H48 Br9.46 Cl2.54 Hg4 N4 -","2","1","","Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei","Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7563","7570","10.1039/d1dt01085a","","","0.71073","MoKα","","0.0759","0.0659","","","0.1797","0.1871","","","","","","1.046","","","","has coordinates,has disorder","267148","2021-07-05","17:30:32",""
"7707344","7.1017","0.0001","17.0738","0.0001","18.7947","0.0002","90","","91.382","0.001","90","","2278.25","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(2,6-Di(pyrazol-1-yl)pyridine)-4-carboxy]ethyl (R)-lipoate (L3)","","- C22 H25 N5 O4 S2 -","- C22 H25 N5 O4 S2 -","- C88 H100 N20 O16 S8 -","4","2","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","0.6889","synchrotron","","0.0936","0.0796","","","0.2257","0.2354","","","","","","1.09","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707492","9.15128","0.00017","27.4566","0.0006","14.7617","0.0003","90","","102.392","0.002","90","","3622.66","0.13","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41.88 H30.3 Cl2.45 Ir N3 O2 -","- C41.8775 H30.306 Cl2.449 Ir N3 O2 -","- C167.51 H121.224 Cl9.796 Ir4 N12 O8 -","4","2","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0525","0.0434","","","0.0905","0.0945","","","","","","1.039","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707494","9.15927","0.00016","27.4078","0.0005","14.7784","0.0003","90","","102.475","0.002","90","","3622.31","0.12","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42.1 H30.85 Cl2.36 Ir N3 O2 -","- C42.1025 H30.846 Cl2.359 Ir N3 O2 -","- C168.41 H123.384 Cl9.436 Ir4 N12 O8 -","4","2","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0455","0.0395","","","0.0895","0.0923","","","","","","1.045","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707532","7.1804","0.0003","18.1579","0.0008","14.8582","0.0007","90","","97.719","0.002","90","","1919.67","0.15","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl F2 N2 Pt -","- C23 H19 Cl F2 N2 Pt -","- C92 H76 Cl4 F8 N8 Pt4 -","4","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","0.71073","MoKα","","0.0347","0.0297","","","0.0681","0.0702","","","","","","0.89","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707535","7.1917","0.0007","18.1841","0.0017","14.8761","0.0014","90","","99.525","0.005","90","","1918.6","0.3","193","2","193.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl F N2 Pt -","- C23 H20 Cl F N2 Pt -","- C92 H80 Cl4 F4 N8 Pt4 -","4","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","1.34139","GaKα","","0.0786","0.0697","","","0.1833","0.1927","","","","","","1.09","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707560","8.7514","0.0001","9.0408","0.0001","12.5409","0.0002","90","","95.965","0.001","90","","986.86","0.02","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H26 Cl6 N2 O V -","- C10 H26 Cl6 N2 O V -","- C20 H52 Cl12 N4 O2 V2 -","2","1","","Kong, Qing-Rong; Wang, Bin; Liu, Xiao-Lin; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","A polar oxyhalogen-vanadate compound (C5NH13Cl)2VOCl4 with optical and two-staged dielectric switch behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9293","9297","10.1039/d1dt01241j","","x-ray","1.54184","CuKα","","0.0444","0.0423","","","0.1108","0.1124","","","","","","1.056","","","","has coordinates","268767","2021-09-06","11:13:10",""
"7707605","9.9056","0.0005","8.139","0.0004","10.8874","0.0005","90","","111.182","0.002","90","","818.46","0.07","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-{(E)-((R)-1-(phenyl)ethylimino)(phenyl)methyl}phenol","","- C21 H19 N O -","- C21 H19 N O -","- C42 H38 N2 O2 -","2","1","","Enamullah, Mohammed; Anwar Hossain, Mohammad; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph","Pseudotetrahedral copper(II)-complexes with enantiopure (R or S)-2-(((aryl)ethylimino)ethyl)phenolate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9236","9249","10.1039/d1dt01671g","","","1.54178","CuKα","","0.0261","0.0258","","","0.0658","0.066","","","","","","1.037","","","","has coordinates","268773","2021-09-06","11:14:59",""
"7707659","10.1179","0.0001","11.3691","0.0001","26.1145","0.0003","90","","90.005","0.0001","90","","3003.99","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H86 Ca N2 O -","- C71 H86 Ca N2 O -","- C142 H172 Ca2 N4 O2 -","2","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","neutron","0.85","neutron","","0.0733","0.0733","","0.0836","0.0836","0.083","","","","","","1.5233","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707660","10.1179","0.0001","11.3691","0.0001","26.1145","0.0003","90","","90.005","0.001","90","","3003.99","0.05","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H86 Ca N2 O -","- C71 H86 Ca N2 O -","- C142 H172 Ca2 N4 O2 -","2","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","1.54184","CuKα","","0.0481","0.0472","","","0.1178","0.1187","","","","","","1.024","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707723","8.113","0.0006","14.0621","0.0006","8.9405","0.0003","90","","110.376","0.004","90","","956.16","0.09","119.7","0.4","119.7","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 Cd N10 -","- C16 H16 Cd N10 -","- C32 H32 Cd2 N20 -","2","1","","Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam","Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10580","10592","10.1039/d1dt01675j","","","0.71073","MoKα","","0.0591","0.0531","","","0.148","0.1534","","","","","","1.079","","","","has coordinates","268775","2021-09-06","11:16:50",""
"7707729","17.558","0.0007","17.5972","0.0006","18.1414","0.0007","90","","117.958","0.002","90","","4951","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H74 Co6 N12 O53 S -","- C62 H74 Co6 N12 O53 S -","- C124 H148 Co12 N24 O106 S2 -","2","1","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","1.54178","CuKα","","0.0996","0.0638","","","0.1574","0.1758","","","","","","0.955","","","","has coordinates,has disorder","268791","2021-09-06","11:21:31",""
"7707767","7.6376","0.0007","10.6097","0.0015","10.4208","0.0014","90","","109.602","0.013","90","","795.49","0.18","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Fe N O3 -","- C19 H17 Fe N O3 -","- C38 H34 Fe2 N2 O6 -","2","1","","Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","The origin of supramolecular chirality in 1-ferrocenyl amino acids.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9695","9699","10.1039/d1dt01905h","","x-ray","1.54184","CuKα","","0.0523","0.0455","","","0.1036","0.1073","","","","","","1.026","","","","has coordinates","268713","2021-09-06","10:55:06",""
"7707768","7.1314","0.0003","10.4452","0.0004","10.013","0.0005","90","","105.488","0.005","90","","718.77","0.06","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Fe N O3 -","- C16 H19 Fe N O3 -","- C32 H38 Fe2 N2 O6 -","2","1","","Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","The origin of supramolecular chirality in 1-ferrocenyl amino acids.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9695","9699","10.1039/d1dt01905h","","x-ray","1.54184","CuKα","","0.0397","0.0358","","","0.0808","0.0822","","","","","","0.988","","","","has coordinates","268713","2021-09-06","10:55:07",""
"7707801","22.1234","0.0004","36.2197","0.001","28.4674","0.0006","90","","96.86","0.002","90","","22647.7","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C284 H282 In11 N49 O113 -","- C256 H166 In11 N40 O84 -","- C512 H332 In22 N80 O168 -","2","1","","Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang","Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9942","9948","10.1039/d1dt01139a","","","0.71073","MoKα","","0.1574","0.0624","","","0.1064","0.1394","","","","","","0.887","","","","has coordinates","268720","2021-09-06","10:57:16",""
"7707812","9.1976","0.0003","16.9404","0.0006","17.7175","0.0006","90","","95.852","0.001","90","","2746.2","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Cu N4 O10 S12 -","- C46 H46 Cu N4 O10 S12 -","- C92 H92 Cu2 N8 O20 S24 -","2","1","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0476","0.0358","","","0.0805","0.0868","","","","","","1.044","","","","has coordinates,has disorder","268734","2021-09-06","11:03:28",""
"7707828","6.6646","0.0005","12.2835","0.001","13.5762","0.001","90","","95.441","0.002","90","","1106.4","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N5 O4 Pd -","- C22 H27 N5 O4 Pd -","- C44 H54 N10 O8 Pd2 -","2","1","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization via deligation from in situ prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","0.71073","MoKα","","0.038","0.0289","","","0.0584","0.0608","","","","","","1.018","","","","has coordinates","268702","2021-09-06","10:52:27",""
"7707840","13.6499","0.0002","14.5313","0.0002","13.9137","0.0002","90","","106.851","0.002","90","","2641.29","0.07","100","0.14","100","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H73 Cl Co3 Ge O10 P3 -","- C40 H73 Cl Co3 Ge O10 P3 -","- C80 H146 Cl2 Co6 Ge2 O20 P6 -","2","1","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeClx[Co(CO)3PR3]4-x (x = 0-3; R = nPr, nBu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0449","0.0343","","","0.0614","0.0645","","","","","","1.03","","","","has coordinates","268792","2021-09-06","11:22:12",""
"7707896","10.987","0.0013","8.9441","0.0007","12.946","0.0013","90","","93.863","0.009","90","","1269.3","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H66 N2 Si2 -","- C60 H66 N2 Si2 -","- C60 H66 N2 Si2 -","1","0.5","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0365","0.0319","","","0.0811","0.0826","","","","","","1.023","","","","has coordinates","268799","2021-09-06","11:25:01",""
"7707946","11.6447","0.0004","16.6071","0.0005","11.6908","0.0003","90","","98.332","0.003","90","","2236.96","0.12","152","3","152","3","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H38 Cl5 N O P2 Ru S2 -","- C46 H38 Cl5 N O P2 Ru S2 -","- C92 H76 Cl10 N2 O2 P4 Ru2 S4 -","2","1","","Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Redox induced S-S bond cleavage of 2,2'-dithiobisbenzothiazole - leading to a [2Ru-2S] core analogous to [2Fe-2S] cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12408","12412","10.1039/d1dt02211c","","x-ray","0.71073","MoKα","","0.0659","0.0651","","","0.1796","0.1805","","","","","","1.089","","","","has coordinates","269721","2021-10-06","15:39:46",""
"7707965","10.9006","0.0005","28.6448","0.0012","11.1809","0.0005","90","","118.948","0.002","90","","3055","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Ge O2 S2 -","- C36 H32 Ge O2 S2 -","- C144 H128 Ge4 O8 S8 -","4","2","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0468","0.0348","","","0.073","0.0783","","","","","","1.016","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7708148","9.803","0.002","14.101","0.003","13.88","0.003","90","","102.94","0.03","90","","1869.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H44 La P Si Te -","- C42 H44 La P Si Te -","- C84 H88 La2 P2 Si2 Te2 -","2","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph4P[Cp3La-ESiMe3] (E = S, Se, and Te) via fluoride-induced demethylation of dimethylcarbonate to Ph4P[OCO2Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","0.71073","MoKα","","0.0156","0.0149","","","0.0342","0.0345","","","","","","1.052","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708151","9.5283","0.0002","10.6121","0.0002","12.3821","0.0003","90","","90.136","0.002","90","","1252.02","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 P Si Te -","- C27 H29 P Si Te -","- C54 H58 P2 Si2 Te2 -","2","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph4P[Cp3La-ESiMe3] (E = S, Se, and Te) via fluoride-induced demethylation of dimethylcarbonate to Ph4P[OCO2Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54186","CuKα","","0.0438","0.0415","","","0.1103","0.1119","","","","","","1.062","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708264","9.8863","0.0009","11.437","0.001","11.5482","0.001","90","","95.448","0.003","90","","1299.9","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H36 B F4 Mn O3 P2 -","- C23 H36 B F4 Mn O3 P2 -","- C46 H72 B2 F8 Mn2 O6 P4 -","2","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.0611","0.0411","","","0.0747","0.0816","","","","","","0.977","","","","has coordinates,has disorder","269074","2021-09-09","23:07:29",""
"7708309","8.8751","0.0002","15.4665","0.0003","11.1923","0.0003","90","","105.434","0.003","90","","1480.93","0.06","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H51 Li N2 O P4 -","- C22 H51 Li N2 O P4 -","- C44 H102 Li2 N4 O2 P8 -","2","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0491","0.0384","","","0.0798","0.0861","","","","","","1.028","","","","has coordinates","269192","2021-09-17","23:00:15",""
"7708317","14.785","0.003","26.13","0.005","15.368","0.003","90","","108.44","0.03","90","","5632","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C107 H111 Br6 N17 O21 Pd3 -","- C89.96 H72.92 Br6 N13 O14.48 Pd3 -","- C179.92 H145.84 Br12 N26 O28.96 Pd6 -","2","1","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.71073","MoKα","","0.1244","0.0703","","","0.1705","0.1935","","","","","","1.016","","","","has coordinates,has disorder","269195","2021-09-17","23:04:09",""
"7708318","14.312","0.003","25.965","0.005","15.502","0.003","90","","107.69","0.03","90","","5488","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C210 H210 Cl12 N30 O42 Pd6 -","- C181 H149 Cl12 N27 O29 Pd6 -","- C181 H149 Cl12 N27 O29 Pd6 -","1","0.5","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.71073","MoKα","","0.1063","0.0602","","","0.1108","0.1257","","","","","","0.979","","","","has coordinates,has disorder","269195","2021-09-17","23:04:10",""
"7708332","8.8842","0.0001","14.3691","0.0002","14.3324","0.0001","90","","99.262","0.001","90","","1805.79","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H92 Li2 N6 O6 Zn2 -","- C80 H92 Li2 N6 O6 Zn2 -","- C80 H92 Li2 N6 O6 Zn2 -","1","0.5","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","1.54178","CuKα","","0.0505","0.0494","","","0.1347","0.1359","","","","","","1.114","","","","has coordinates,has disorder","269199","2021-09-17","23:10:02",""
"7708397","6.506","0.005","15.326","0.005","14.777","0.005","90","0.005","90.876","0.005","90","0.005","1473.3","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H26 B2 F8 Mn2 N4 O4 -","- C24 H26 B2 F8 Mn2 N4 O4 -","- C48 H52 B4 F16 Mn4 N8 O8 -","2","1","","Brousses, Rémy; Maurel, Vincent; Mouesca, Jean-Marie; César, Vincent; Lugan, Noël; Valyaev, Dmitry A.","Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments","Dalton Transactions","2021","","","","","10.1039/D1DT02182F","","","0.71073","MoKα","","0.0552","0.0473","","","0.1255","0.1342","","","","","","1.035","","","","has coordinates","269273","2021-09-23","23:11:28",""
"7708505","10.0387","0.0006","18.654","0.0011","10.7043","0.0006","90","","117.802","0.002","90","","1773.12","0.18","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","uranyldichloride bis(triphenylphosphine oxide)","uraniumdioxodicholoro bis(triphenylphosphine oxide)","","- C36 H30 Cl2 O4 P2 U -","- C36 H30 Cl2 O4 P2 U -","- C72 H60 Cl4 O8 P4 U2 -","2","1","","Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.","Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex","Dalton Transactions","2021","","","","","10.1039/D1DT03041H","","","0.71073","MoKα","","0.0317","0.0278","","","0.0635","0.0651","","","","","","1.033","","","","has coordinates","269445","2021-10-01","23:04:19",""
"7708509","10.5751","0.0003","29.5477","0.001","12.0766","0.0004","90","","108.748","0.001","90","","3573.4","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H37 Br Mn N O3 P2 -","- C39 H37 Br Mn N O3 P2 -","- C156 H148 Br4 Mn4 N4 O12 P8 -","4","2","","Jayaprakash, Harikrishnan","Mn(i) phosphine-amino-phosphinites: a highly modular class of pincer complexes for enantioselective transfer hydrogenation of aryl-alkyl ketones","Dalton Transactions","2021","","","","","10.1039/D1DT02257A","","x-ray","1.54178","CuKα","K-L~3~","0.0537","0.0531","","","0.1296","0.1308","","","","","","1.026","","","","has coordinates,has disorder","269553","2021-10-04","23:03:27",""
"7708594","8.5882","0.0001","13.3127","0.0002","20.292","0.0003","90","","90.672","0.001","90","","2319.87","0.06","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H53 B2 F8 Ir N6 O3 -","- C46 H53 B2 F8 Ir N6 O3 -","- C92 H106 B4 F16 Ir2 N12 O6 -","2","1","","Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura","Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores","Dalton Transactions","2021","","","","","10.1039/D1DT02928B","","","1.54184","CuKα","","0.03","0.0286","","","0.0735","0.0748","","","","","","1.043","","","","has coordinates,has disorder","270043","2021-10-19","23:23:36",""
"7708595","9.5272","0.0003","11.1664","0.0003","19.1835","0.0005","90","","97.194","0.003","90","","2024.76","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H47 Cl2 N4 O9 Re -","- C38 H47 Cl2 N4 O9 Re -","- C76 H94 Cl4 N8 O18 Re2 -","2","1","","Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura","Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores","Dalton Transactions","2021","","","","","10.1039/D1DT02928B","","","0.71073","MoKα","","0.0451","0.0381","","","0.0915","0.0959","","","","","","1.059","","","","has coordinates,has disorder","270043","2021-10-19","23:23:37",""
"7708596","9.9804","0.0003","10.6322","0.0003","12.5079","0.0004","90","","92.751","0.003","90","","1325.73","0.07","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H28.03 Cl0.89 I1.11 N4 O4.51 Re -","- C23 H28.032 Cl0.891 I1.109 N4 O4.516 Re -","- C46 H56.064 Cl1.782 I2.218 N8 O9.032 Re2 -","2","1","","Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura","Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores","Dalton Transactions","2021","","","","","10.1039/D1DT02928B","","","0.71073","MoKα","","0.0345","0.029","","","0.0496","0.0522","","","","","","1.041","","","","has coordinates","270043","2021-10-19","23:23:37",""
"7708637","6.8687","0.0015","23.288","0.005","10.082","0.002","90","","91.108","0.009","90","","1612.4","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O3 Ru -","- C15 H22 Br N O3 Ru -","- C60 H88 Br4 N4 O12 Ru4 -","4","2","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) p-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.077","0.0723","","","0.1959","0.2044","","","","","","1.074","","","","has coordinates","270127","2021-10-28","23:52:12",""
"7708639","5.9679","0.0009","9.9595","0.0015","14.192","0.002","90","","90.801","0.005","90","","843.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O3 Ru S -","- C16 H22 N2 O3 Ru S -","- C32 H44 N4 O6 Ru2 S2 -","2","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) p-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.0548","0.0418","","","0.0885","0.091","","","","","","1.018","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708710","11.4333","0.0002","18.851","0.0003","11.5017","0.0002","90","","92.588","0.001","90","","2476.42","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H52 N2 O14 P2 W2 -","- C44 H52 N2 O14 P2 W2 -","- C88 H104 N4 O28 P4 W4 -","2","1","","Schmer, Alexander; Welideniya, Dhanushi; Terschüren, Tatjana; Schnakenburg, Gregor; Daniels, Jörg; Bauza, Antonio; Frontera, Antonio; Streubel, R.","A homonuclear π-system with a singlet carbene-type alpha and a nucleophilic beta phosphorus – first use in P-heterocyclic synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT03350F","","x-ray","0.71073","MoKα","","0.042","0.0354","","","0.0808","0.0837","","","","","","1.006","","","","has coordinates","270314","2021-11-05","00:03:42",""
"7708762","8.0271","0.0003","6.3124","0.0002","11.9022","0.0004","90","","96.121","0.001","90","","599.65","0.04","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","RbMoPO","","- Mo2 O14 P3 Rb -","- Mo2 O14 P3 Rb -","- Mo4 O28 P6 Rb2 -","2","1","","Zhang, Rui; Su, Xin; Zhang, Jie; Xiong, Mingyao; Huang, Yi-Neng","RbMo2P3O14 with Large Birefringence Mainly Induced by Highly Distorted [MoO6] in the Uncommon [Mo2P3O14]∞ Layers","Dalton Transactions","2021","","","","","10.1039/D1DT03285B","","","0.71073","MoKα","","0.0207","0.0195","","","0.0464","0.0471","","","","","","1.059","","","","has coordinates","270555","2021-11-10","00:10:49",""
"7708797","9.7812","0.0004","38.9332","0.0014","7.1869","0.0003","90","","107.467","0.004","90","","2610.67","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H14 Cd2 Cl6 N4 -","- C24 H14 Cd2 Cl6 N4 -","- C96 H56 Cd8 Cl24 N16 -","4","2","","Xu, Fei; Li, Gang-Mei; Wang, Ani; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Modulating the structure and photochromic performance of hybrid metal chloride with nonphotochromic 1,10-phenanthroline and its derivative","Dalton Transactions","2021","","","","","10.1039/D1DT02899E","","","0.71073","MoKα","","0.0798","0.0732","","","0.1517","0.1562","","","","","","1.103","","","","has coordinates,has disorder","270608","2021-11-12","00:02:40",""
"7708803","11.49283","0.00013","16.98921","0.00013","11.52564","0.00015","90","","116.837","0.0015","90","","2008.05","0.05","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H46 B9 O P3 Pt Ru -","- C35 H46 B9 O P3 Pt Ru -","- C70 H92 B18 O2 P6 Pt2 Ru2 -","2","1","","Bould, Jonathan; Londesborough, Michael G. S.; Passarelli, Vincenzo; Clegg, William; Waddell, Paul G.; Cvačka, Josef; Macías, Ramón","A simple and high-yield route to iridium, rhodium, osmium and ruthenium nido-6-metalladecaborane compounds","Dalton Transactions","2021","","","","","10.1039/D1DT02971A","","","1.54184","CuKα","","0.0156","0.0151","","","0.0338","0.0341","","","","","","1.051","","","","has coordinates","270611","2021-11-12","00:05:50",""
"7708832","13.3749","0.0003","10.4918","0.0002","16.3394","0.0003","90","","112.578","0.001","90","","2117.13","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H62 N2 O4 Pd -","- C46 H62 N2 O4 Pd -","- C92 H124 N4 O8 Pd2 -","2","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.018","0.0179","","","0.0444","0.0444","","","","","","1.035","","","","has coordinates","270672","2021-11-16","00:13:33",""
"7708980","10.123","0.002","16.278","0.004","13.191","0.003","90","","107.198","0.003","90","","2076.5","0.8","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H42 N6 O14 Zn2 -","- C26 H28 N4 O12 Zn2 -","- C52 H56 N8 O24 Zn4 -","2","1","","Wang, Kang; Duan, Yuhan; Chen, Jiajing; Wang, Haiying; Liu, Hui-Yan","Dye encapsulated zinc-based metal-organic framework as a dual-emission sensor for highly sensitive detection of antibiotics","Dalton Transactions","2021","","","","","10.1039/D1DT03950D","","","0.71073","MoKα","","0.0848","0.0774","","","0.2123","0.2202","","","","","","1.029","","","","has coordinates,has disorder","270952","2021-12-01","00:02:50",""
"7708988","10.6178","0.0003","11.6652","0.0002","11.9931","0.0003","90","","112.947","0.001","90","","1367.9","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 Br2 Cl3 N4 Pd -","- C23 H29 Br2 Cl3 N4 Pd -","- C46 H58 Br4 Cl6 N8 Pd2 -","2","1","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0259","0.0248","","","0.0658","0.0661","","","","","","1.135","","","","has coordinates,has disorder","270968","2021-12-02","00:04:10",""
"7709381","11.1322","0.0003","7.6035","0.0002","13.5075","0.0004","90","","104.642","0.002","90","","1106.19","0.05","180","2","180","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C23 H31 Cu N3 O4 -","- C23 H31 Cu N3 O4 -","- C46 H62 Cu2 N6 O8 -","2","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Wernsdorfer, Wolfgang","Structural determinations and magnetic properties of a “chiral at metal” complex and its resulting [Cu–Ln]2 compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04249A","","","0.71073","MoKα","","0.0448","0.0363","","","0.0644","0.067","","","","","","1.023","","","","has coordinates","272327","2022-01-28","23:51:58",""
"7709406","11.0233","0.0004","17.3526","0.0006","16.4133","0.0005","90","","99.3076","0.0009","90","","3098.25","0.18","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C140 H138 Cl4 N12 O9 Ru4 S4 -","- C140 H138 Cl4 N12 O9 Ru4 S4 -","- C140 H138 Cl4 N12 O9 Ru4 S4 -","1","0.5","","Mukhopadhyay, Suman; Porwal, Pragti; Kundu, Bidyut Kumar; Upadhyay, Shrish Nath; Sinha, Nilima; Ganguly, Rakesh; Grabchev, Ivo; Pakhira, Srimanta","Pyrene based fluorescent Ru(II)-arene complexes towards significant biological applications: catalytic potential, DNA/protein binding, two photon cell imaging and in vitro cytotoxicity","Dalton Transactions","2022","","","","","10.1039/D1DT04093F","","x-ray","0.71073","MoKα","","0.0289","0.0277","","","0.0673","0.0681","","","","","","1.027","","","","has coordinates,has disorder","272434","2022-02-02","23:52:14",""
"7709464","5.1243","0.0002","11.4452","0.0003","18.183","0.0005","90","","91.109","0.003","90","","1066.21","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 N6 O8 S2 Zn -","- C14 H18 Cl2 N6 O8 S2 Zn -","- C28 H36 Cl4 N12 O16 S4 Zn2 -","2","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71073","MoKα","","0.0329","0.0322","","","0.1058","0.11","","","","","","1.13","","","","has coordinates","272906","2022-02-10","23:51:13",""
"7709469","12.3999","0.0003","14.2258","0.0004","13.3826","0.0003","90","","90.462","0.002","90","","2360.59","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 Cl Cu N5 O6.5 S2 -","- C17 H26 Cl Cu N5 O6.5 S2 -","- C68 H104 Cl4 Cu4 N20 O26 S8 -","4","2","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71073","MoKα","","0.0687","0.0572","","","0.1509","0.1579","","","","","","1.05","","","","has coordinates,has disorder","272906","2022-02-10","23:51:13",""
"7709539","11.0397","0.0003","14.1993","0.0005","24.7702","0.0008","90","","90.993","0.003","90","","3882.3","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 N32 O16 Sn4 -","- C64 H56 N32 O16 Sn4 -","- C128 H112 N64 O32 Sn8 -","2","1","","Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai","p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands","Dalton Transactions","2022","","","","","10.1039/D1DT04040E","","x-ray","0.71073","MoKα","","0.0428","0.0343","","","0.0694","0.0739","","","","","","1.023","","","","has coordinates,has disorder","272986","2022-02-16","00:09:12",""
"7709553","16.3685","0.0006","19.8394","0.0005","17.318","0.0005","90","","117.66","0.004","90","","4981.2","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C100 H98 Cu4 N24 O21 -","- C100 H98 Cu4 N24 O21 -","- C200 H196 Cu8 N48 O42 -","2","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0706","0.0431","","","0.0943","0.1122","","","","","","1.002","","","","has coordinates","272994","2022-02-16","23:54:41",""
"7709640","11.9689","0.0002","12.0094","0.0001","16.2339","0.0002","90","","94.775","0.001","90","","2325.35","0.05","125","0.1","125","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","[2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis((S)-4-phenyl-4,5-dihydroxazol-2-yl)pyridine]iron(II) diperchlorate nitromethane solvate","","- C47 H41 Cl2 Fe N7 O12 S2 -","- C47 H41 Cl2 Fe N7 O12 S2 -","- C94 H82 Cl4 Fe2 N14 O24 S4 -","2","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.038","0.0359","","","0.0901","0.092","","","","","","1.025","","","","has coordinates,has disorder","273443","2022-03-04","23:49:27",""
"7709641","11.3515","0.0001","18.6328","0.0003","20.5925","0.0003","90","","102.246","0.001","90","","4256.42","0.1","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","[2,6-Bis((S)-4-isopropyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis((R)-4-isopropyl-4,5-dihydroxazol-2-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C36 H49 Cl2 Fe N7 O10 S2 -","- C36 H49 Cl2 Fe N7 O10 S2 -","- C144 H196 Cl8 Fe4 N28 O40 S8 -","4","2","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.0608","0.0586","","","0.1545","0.1571","","","","","","1.033","","","","has coordinates,has disorder","287933","2023-12-01","14:27:53",""
"7709643","9.0025","0.0003","24.0613","0.0009","11.255","0.0005","90","","106.649","0.004","90","","2335.76","0.16","130","0.1","130","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","[2,6-Bis((S)-4-isopropyl-4,5-dihydrothiazol-2-yl)pyridine]-[2,6-bis(1H-benzimidazol-2-yl)pyridine]iron(II) diperchlorateacetonitrile diethyl ether solvate","","- C42 H49 Cl2 Fe N9 O9 S2 -","- C42 H49 Cl2 Fe N9 O9 S2 -","- C84 H98 Cl4 Fe2 N18 O18 S4 -","2","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.069","0.0522","","","0.1197","0.1322","","","","","","1.058","","","","has coordinates,has disorder","273443","2022-03-04","23:49:28",""
"7709644","9.9525","0.0001","18.2692","0.0001","11.2555","0.0001","90","","90.601","0.001","90","","2046.41","0.03","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","[2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis(benzimidazol-2-yl)pyridine]iron(II) diperchlorate","","","- C42 H32 Cl2 Fe N8 O8 S2 -","- C42 H32 Cl2 Fe N8 O8 S2 -","- C84 H64 Cl4 Fe2 N16 O16 S4 -","2","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","","0.6889","","","0.0315","0.0289","","","0.0726","0.0735","","","","","","1.039","","","","has coordinates,has disorder","273443","2022-03-04","23:49:28",""
"7709688","7.6556","0.001","13.6507","0.0017","8.5962","0.0011","90","","106.44","0.004","90","","861.61","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H4 N20 O4 Pb4 -","- H4 N20 O4 Pb4 -","- H8 N40 O8 Pb8 -","2","1","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0334","0.0302","","","0.0659","0.0672","","","","","","1.014","","","","has coordinates","273541","2022-03-08","23:51:31",""
"7709701","8.3096","0.0004","24.4047","0.0013","10.1744","0.0005","90","","101.993","0.001","90","","2018.26","0.18","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17.5 H10 Au Cl F9 N O4 -","- C17.5 H10 Au Cl F9 N O4 -","- C70 H40 Au4 Cl4 F36 N4 O16 -","4","2","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0251","0.0223","","","0.0454","0.0461","","","","","","1.024","","","","has coordinates,has disorder","273574","2022-03-09","23:54:53",""
"7709741","10.179","0.002","11.509","0.002","12.716","0.003","90","","108.62","0.03","90","","1411.7","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 Dy N4 -","- C33 H33 Dy N4 -","- C66 H66 Dy2 N8 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","x-ray","0.71073","MoKα","","0.0582","0.0546","","","0.1403","0.1421","","","","","","1.026","","","","has coordinates,has disorder","273670","2022-03-11","23:53:40",""
"7709743","10.179","0.002","11.509","0.002","12.716","0.003","90","","108.62","0.03","90","","1411.7","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N4 Yb -","- C33 H33 N4 Yb -","- C66 H66 N8 Yb2 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","x-ray","0.71073","MoKα","","0.0872","0.0841","","","0.2123","0.2154","","","","","","1.077","","","","has coordinates","273670","2022-03-11","23:53:40",""
"7709765","12.1732","0.0006","5.8139","0.0002","15.0734","0.0007","90","","100.004","0.005","90","","1050.58","0.08","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H14 Au Cl3 F3 N5 O -","- C16 H14 Au Cl3 F3 N5 O -","- C32 H28 Au2 Cl6 F6 N10 O2 -","2","1","","Stevanović, Nevena Lj.; Kljun, Jakob; Aleksic, Ivana; Bogojevic, Sanja Skaro; Milivojevic, Dusan; Veselinovic, Aleksandar; Turel, Iztok; Djuran, Miloš I.; Nikodinovic-Runic, Jasmina; Glišić, Biljana Đ.","Clinically used antifungal azoles as ligands for gold(iii) complexes: the influence of the Au(iii) ion on the antimicrobial activity of the complex","Dalton Transactions","2022","","","","","10.1039/D2DT00411A","","x-ray","0.71073","MoKα","","0.033","0.0276","","","0.0554","0.0578","","","","","","1.035","","","","has coordinates","273749","2022-03-17","00:07:37",""
"7709769","7.917","0.004","30.223","0.016","8.837","0.005","90","","99.7","0.014","90","","2084.2","1.9","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H62 Cu N4 O12 -","- C38 H62 Cu N4 O12 -","- C76 H124 Cu2 N8 O24 -","2","1","","Johnson, Alice; Iffland, Linda; Northcote-Smith, Joshua; Singh, Kuldip; Ortu, Fabrizio; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan","A bioinspired redox-modulating copper(II)-macrocyclic complex bearing non-steroidal anti-inflammatory drugs with anti-cancer stem cell activity","Dalton Transactions","2022","","","","","10.1039/D2DT00788F","","","0.71073","MoKα","","0.1857","0.0826","","","0.1358","0.1718","","","","","","0.817","","","","has coordinates","273750","2022-03-17","00:08:37",""
"7709844","8.4824","0.0004","42.596","0.002","8.6068","0.0005","90","","117.974","0.002","90","","2746.4","0.2","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C66 H56 B N -","- C66 H56 B N -","- C132 H112 B2 N2 -","2","1","","Zhao, Fei; Zhao, Jingyi; Wang, Yu; Liu, Hou-Ting; Shang, Qinghai; Wang, Nan; Yin, Xiaodong; Zheng, Xiaoyan; Chen, Pangkuan","[5]Helicene-Based Chiral Triarylboranes with Large Luminescence Dissymmetry Factor Over 10-2 Level: Synthesis and Design Strategy via Isomeric Tuning of Steric Substitutions","Dalton Transactions","2022","","","","","10.1039/D2DT00677D","","","0.71073","MoKα","","0.1061","0.0498","","","0.1444","0.1999","","","","","","0.688","","","","has coordinates","273955","2022-03-25","00:01:16",""
"7709877","10.363","0.0003","25.0739","0.0005","10.415","0.0003","90","","115.732","0.004","90","","2437.88","0.14","100","0.4","100","0.4","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H30 B2 Cl2 F20 Fe N4 O4 -","- C47 H30 B2 Cl2 F20 Fe N4 O4 -","- C94 H60 B4 Cl4 F40 Fe2 N8 O8 -","2","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0448","0.0409","","","0.1083","0.1154","","","","","","1.088","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709957","20.1925","0.0008","18.0964","0.0004","20.5065","0.0007","90","","118.817","0.005","90","","6565.4","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 P2 S2 -","- C36 H32 N4 P2 S2 -","- C288 H256 N32 P16 S16 -","8","4","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.084","0.0603","","","0.1138","0.1303","","","","","","1.049","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7709960","20.403","0.0006","18.0437","0.0004","20.5579","0.0005","90","","117.871","0.003","90","","6690.4","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 P2 Se2 -","- C36 H32 N4 P2 Se2 -","- C288 H256 N32 P16 Se16 -","8","4","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.0525","0.0434","","","0.0923","0.0977","","","","","","1.052","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7709979","14.3136","0.0003","15.6216","0.0003","17.4536","0.0004","90","","96.765","0.001","90","","3875.48","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H32 Cl4 N4 Ni O3 -","- C45 H32 Cl4 N4 Ni O3 -","- C180 H128 Cl16 N16 Ni4 O12 -","4","2","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","1.54178","CuKα","","0.0682","0.0618","","","0.1509","0.1556","","","","","","1.002","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7710039","10.2644","0.0005","23.3768","0.0011","15.1012","0.0007","90","","103.623","0.002","90","","3521.6","0.3","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 H72 Dy I3 O10 P4 -","- C65 H72 Dy I3 O10 P4 -","- C130 H144 Dy2 I6 O20 P8 -","2","1","","Qu, Yun-Xia; Ruan, Ze-Yu; Lyu, Bang-Heng; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Tong, Ming-Liang","Opening Magnetic Hysteresis via Improving Planarity of Equatorial Coordination by Hydrogen Bonding","Dalton Transactions","2022","","","","","10.1039/D2DT01107G","","","0.71073","MoKα","","0.0257","0.0242","","","0.0591","0.0596","","","","","","1.043","","","","has coordinates,has disorder","274517","2022-04-13","23:03:07",""
"7710155","9.6946","0.0003","23.0494","0.0005","11.1709","0.0003","90","","100.423","0.003","90","","2455","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H54 Cl6 I N2 P -","- C48 H54 Cl6 I N2 P -","- C96 H108 Cl12 I2 N4 P2 -","2","1","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","0.71073","MoKα","","0.0425","0.0363","","","0.0743","0.0778","","","","","","1.024","","","","has coordinates,has disorder","274817","2022-05-02","23:20:50",""
"7710177","10.2862","0.0005","12.1285","0.0004","12.6954","0.0005","90","","111.54","0.005","90","","1473.22","0.12","291","2","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H34 Cl N2 P Pd -","- C33 H34 Cl N2 P Pd -","- C66 H68 Cl2 N4 P2 Pd2 -","2","1","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","","0.71073","MoKα","","0.038","0.0324","","","0.0575","0.0615","","","","","","1.036","","","","has coordinates","274859","2022-05-03","22:53:27",""
"7710180","12.41683","0.00019","23.3274","0.0003","12.73072","0.00019","90","","113.105","0.0017","90","","3391.71","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H34 Cl N2 P Pd -","- C41 H34 Cl N2 P Pd -","- C164 H136 Cl4 N8 P4 Pd4 -","4","2","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","x-ray","1.54184","CuKα","","0.0491","0.0452","","","0.1138","0.1183","","","","","","1.034","","","","has coordinates","274859","2022-05-03","22:53:30",""
"7710257","7.6065","0.0001","13.8332","0.0001","10.7154","0.0001","90","","105.49","0.001","90","","1086.54","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PK09","dichloro(η6-[1-methyl-4-(1-methylethyl)benzene])(hydroxymethyldiphenylphosphine)ruthenium(II)","","- C23 H27 Cl2 O P Ru -","- C23 H27 Cl2 O P Ru -","- C46 H54 Cl4 O2 P2 Ru2 -","2","1","","Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco","Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes.","Dalton Transactions","2022","","","","","10.1039/D2DT01055K","","","1.54184","CuKα","","0.0173","0.0173","","","0.0462","0.0462","","","","","","1.108","","","","has coordinates","275385","2022-05-12","23:04:34",""
"7710327","8.759","0.0018","9.471","0.0019","11.418","0.002","90","","99.95","0.03","90","","933","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Bi O2 P -","- C20 H20 Bi O2 P -","- C40 H40 Bi2 O4 P2 -","2","1","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr2(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","","0.710918","Synchrotron","","0.0185","0.0184","","","0.0475","0.0476","","","","","","1.173","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710329","11.7325","0.0002","9.3795","0.0002","20.9611","0.0005","90","","96.47","0.002","90","","2291.97","0.08","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-((μ-diphenylphosphinate)-bis(4-tolyl)-bismuth)","","- C26 H24 Bi O2 P -","- C26 H24 Bi O2 P -","- C104 H96 Bi4 O8 P4 -","4","2","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr2(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","x-ray","0.71073","MoKα","","0.0357","0.031","","","0.0768","0.0789","","","","","","1.013","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710475","6.9916","0.0009","9.4534","0.001","16.8751","0.0019","90","","98.836","0.009","90","","1102.1","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H32 Cl Co N2 P -","- C23 H32 Cl Co N2 P -","- C46 H64 Cl2 Co2 N4 P2 -","2","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","1.54178","CuKα","","0.0809","0.0648","","","0.1636","0.1757","","","","","","0.998","","","","has coordinates","276011","2022-06-13","22:57:58",""
"7710501","8.1892","0.0013","20.317","0.003","17.675","0.003","90","","98.647","0.005","90","","2907.3","0.8","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H67 N6 O16 Zn2 -","- C38 H45 N4 O12 Zn2 -","- C76 H90 N8 O24 Zn4 -","2","1","","Zhu, Chengfeng; Wang, Hongzhao; Mu, Yongfei; Zhang, Ziwei; Cheng, Lanjun; Li, Tianfu; Fu, Yanming; Wu, Xiang; Li, Yougui","Construction of a chiral zinc–camphorate framework for enantioselective separation","Dalton Transactions","2022","","","","","10.1039/D2DT01221A","","","0.67042","synchrotron","","0.1134","0.0879","","","0.248","0.2705","","","","","","1.066","","","","has coordinates","276061","2022-06-15","23:04:54",""
"7710550","11.3756","0.0017","39.096","0.006","11.5017","0.0018","90","","96.094","0.004","90","","5086.4","1.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105 H126 Cl2 Co2 O4.5 P6 -","- C105 H126 Cl2 Co2 O4.5 P6 -","- C210 H252 Cl4 Co4 O9 P12 -","2","1","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0765","0.0727","","","0.1856","0.1878","","","","","","1.108","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710556","8.4086","0.0003","12.9531","0.0016","12.4267","0.0014","90","","96.874","0.006","90","","1343.8","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl8 N2 O Pd -","- C18 H24 Cl8 N2 O Pd -","- C36 H48 Cl16 N4 O2 Pd2 -","2","1","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.062","0.0418","","","0.0861","0.0975","","","","","","1.166","","","","has coordinates,has disorder","276208","2022-06-23","23:10:42",""
"7710557","8.4071","0.0005","12.9549","0.0009","12.4241","0.001","90","","96.861","0.005","90","","1343.46","0.16","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl8 N2 O Pd -","- C18 H24 Cl8 N2 O Pd -","- C36 H48 Cl16 N4 O2 Pd2 -","2","1","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.0619","0.0397","","","0.0778","0.0897","","","","","","1.132","","","","has coordinates,has disorder","276208","2022-06-23","23:10:42",""
"7710627","7.0047","0.0003","7.0574","0.0003","7.143","0.0003","90","","107.246","0.003","90","","337.24","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H4 N2 O6 S2 Sr -","- H4 N2 O6 S2 Sr -","- H8 N4 O12 S4 Sr2 -","2","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0318","0.0267","","","0.0481","0.0493","","","","","","1.049","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710633","9.873","0.002","13.529","0.003","12.606","0.003","90","","105.15","0.03","90","","1625.3","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H31 F3 O3 P2 Pd S -","- C36 H31 F3 O3 P2 Pd S -","- C72 H62 F6 O6 P4 Pd2 S2 -","2","1","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.0227","0.0226","","","0.0605","0.0607","","","","","","1.03","","","","has coordinates","276373","2022-06-28","22:55:58",""
"7710708","12.37","0.0015","22.934","0.003","18.132","0.002","90","","106.849","0.002","90","","4923.1","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H137 N4 O10 Zn3 -","- C104 H137 N4 O10 Zn3 -","- C208 H274 N8 O20 Zn6 -","2","1","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","0.71073","MoKα","","0.0697","0.0489","","","0.1082","0.1183","","","","","","0.997","","","","has coordinates,has disorder","276829","2022-07-23","00:02:04",""
"7710741","14.9237","0.0006","17.5343","0.0007","15.725","0.0006","90","","101.063","0.001","90","","4038.4","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H108 Cl2 N O29 P Pd -","- C64 H108 Cl2 N O29 P Pd -","- C128 H216 Cl4 N2 O58 P2 Pd2 -","2","1","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped cis-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.081","0.0478","","","0.0893","0.0978","","","","","","0.955","","","","has coordinates","276837","2022-07-23","00:13:02",""
"7710763","11.2662","0.0002","7.398","0.0001","12.5768","0.0002","90","","96.3","0.002","90","","1041.91","0.03","150","15","150","15","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Ag2 Cl2 N4 -","- C20 H20 Ag2 Cl2 N4 -","- C40 H40 Ag4 Cl4 N8 -","2","1","","Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.","Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes","Dalton Transactions","2022","","","","","10.1039/D2DT01657E","","","0.71073","MoKα","","0.03","0.0275","","","0.058","0.0598","","","","","","1.042","","","","has coordinates","276842","2022-07-23","00:18:54",""
"7710772","6.4041","0.0013","17.358","0.004","11.699","0.002","90","","103.23","0.03","90","","1266","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dicarbonyldichloridobis(diphenylselane)ruthenium","","- C26 H20 Cl2 O2 Ru Se2 -","- C26 H20 Cl2 O2 Ru Se2 -","- C52 H40 Cl4 O4 Ru2 Se4 -","2","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl2(CO)2(ERR')2] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl2(CO)3]2 and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0581","0.0551","","","0.1675","0.1738","","","","","","1.065","","","","has coordinates","276845","2022-07-23","00:22:40",""
"7710774","11.917","0.002","11.051","0.002","16.051","0.003","90","","110.59","0.03","90","","1978.8","0.7","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dicarbonyldichloridobis(methylphenyltellurane)ruthenium","","- C32 H32 Cl4 O4 Ru2 Te4 -","- C32 H32 Cl4 O4 Ru2 Te4 -","- C64 H64 Cl8 O8 Ru4 Te8 -","2","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl2(CO)2(ERR')2] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl2(CO)3]2 and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.1094","0.0973","","","0.2431","0.2534","","","","","","1.073","","","","has coordinates","276845","2022-07-23","00:22:41",""
"7710923","7.97671","0.00017","15.5959","0.0003","10.1573","0.0002","90","","105.596","0.002","90","","1217.08","0.04","100","0.1","100","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C36 H20 -","- C36 H20 -","- C72 H40 -","2","1","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0832","0.0847","","","","","","1.035","","","","has coordinates","277157","2022-08-08","23:14:24",""
"7710941","8.087","0.0011","14.6292","0.0012","16.036","0.003","90","","94.505","0.007","90","","1891.3","0.5","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C10 H26 B Cl2 N3 O5 P2 Pt -","- C10 H26 B Cl2 N3 O5 P2 Pt -","- C40 H104 B4 Cl8 N12 O20 P8 Pt4 -","4","2","","Culpepper, Johnathan D.; Lee, Kyounghoon; Portis, William; Swenson, Dale C.; Daly, Scott R.","Fluorination and hydrolytic stability of water-soluble platinum complexes with a borane-bridged diphosphoramidite ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01482C","","","0.71073","MoKα","","0.0479","0.045","","","0.0887","0.0902","","","","","","1.29","","","","has coordinates,has disorder","277180","2022-08-09","22:49:04",""
"7711022","9.4094","0.00006","14.51707","0.0001","12.09559","0.00008","90","","102.911","0.0007","90","","1610.45","0.019","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H42 Cl N3 O3 Ru S -","- C34 H42 Cl N3 O3 Ru S -","- C68 H84 Cl2 N6 O6 Ru2 S2 -","2","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0425","0.0422","","","0.1128","0.1132","","","","","","1.065","","","","has coordinates","277329","2022-08-19","22:59:25",""
"7711023","9.78513","0.00004","11.79817","0.00005","14.04533","0.00005","90","","99.3866","0.0004","90","","1599.78","0.011","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32.5 H35 Cl N2 O2.75 Ru S2 -","- C32.5 H35 Cl N2 O2.75 Ru S2 -","- C65 H70 Cl2 N4 O5.5 Ru2 S4 -","2","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0373","0.0373","","","0.1064","0.1065","","","","","","1.084","","","","has coordinates","277329","2022-08-19","22:59:25",""
"7711084","13.2628","0.0007","15.8514","0.0008","16.7898","0.0009","90","","98.615","0.003","90","","3490","0.3","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","TP42A","","- C70 H62 Cu2 F12 N8 O11 P2 -","- C70 H62 Cu2 F12 N8 O11 P2 -","- C140 H124 Cu4 F24 N16 O22 P4 -","2","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","","1.54178","CuKα","","0.0663","0.0624","","","0.167","0.1714","","","","","","1.03","","","","has coordinates,has disorder","277448","2022-08-29","23:16:55",""
"7711359","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Gajda, Roman; Piekara, Anna; Tchoń, Daniel; Woźniak, Krzysztof; Sławiński, Wojciech A.","Charge density studies of single and transient (single to double) boron–oxygen bonds in (NH4)2B4O5(OH)4·2H2O","Dalton Transactions","2022","","","","","10.1039/D2DT02442J","","x-ray","0.71073","MoKα","","0.0506","0.0444","","","0.1143","0.1179","","","","","","1.04","","","","has coordinates,has disorder","278230","2022-09-27","22:51:28",""
"7711360","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Gajda, Roman; Piekara, Anna; Tchoń, Daniel; Woźniak, Krzysztof; Sławiński, Wojciech A.","Charge density studies of single and transient (single to double) boron–oxygen bonds in (NH4)2B4O5(OH)4·2H2O","Dalton Transactions","2022","","","","","10.1039/D2DT02442J","","x-ray","0.71073","MoKα","","0.038","0.031","","","","0.071","0.039","","","","","1.156","","","","has coordinates","278230","2022-09-27","22:51:29",""
"7711381","9.2828","0.0004","14.0011","0.0006","9.3396","0.0004","90","","97.935","0.001","90","","1202.24","0.09","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H41 B Ru -","- C25 H41 B Ru -","- C50 H82 B2 Ru2 -","2","1","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","","0.71073","MoKα","","0.0371","0.0328","","","0.0841","0.0867","","","","","","1.031","","","","has coordinates,has disorder","278292","2022-09-30","22:55:26",""
"7711478","12.2223","0.0008","16.0549","0.0009","12.3894","0.0009","90","","107.628","0.007","90","","2317","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H70 Fe N4 -","- C50 H70 Fe N4 -","- C100 H140 Fe2 N8 -","2","1","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.073","0.0674","","","0.1686","0.1759","","","","","","1.034","","","","has coordinates","278573","2022-10-13","23:00:26",""
"7711498","11.0609","0.0006","5.5831","0.0003","12.5961","0.0006","90","","100.181","0.005","90","","765.61","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 Cu N O4 S -","- C14 H17 Cu N O4 S -","- C28 H34 Cu2 N2 O8 S2 -","2","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0384","0.0342","","","0.0885","0.0922","","","","","","1.065","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711499","11.16","0.002","5.6142","0.0006","12.674","0.002","90","","100.347","0.015","90","","781.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","1?[Cu(S-3-HOMe-5-Me-salmet)]","","","- C14 H17 Cu N O4 S -","- C14 H17 Cu N O4 S -","- C28 H34 Cu2 N2 O8 S2 -","2","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0564","0.0396","","","0.0876","0.0951","","","","","","0.986","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711530","11.695","0.002","18.914","0.004","13.28","0.003","90","","115.34","0.03","90","","2654.9","1.1","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52.5 Ag Br F6 O0.75 P5 -","- C54 H52.5 Ag Br F6 O0.75 P5 -","- C108 H105 Ag2 Br2 F12 O1.5 P10 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0493","0.0416","","","0.1085","0.1141","","","","","","1.015","","","","has coordinates","278756","2022-10-24","23:09:09",""
"7711533","11.7493","0.0004","18.1851","0.0004","13.2796","0.0004","90","","115.779","0.002","90","","2554.97","0.14","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H48 Cu F12 N P6 -","- C53 H48 Cu F12 N P6 -","- C106 H96 Cu2 F24 N2 P12 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0705","0.0667","","","0.1803","0.1864","","","","","","1.064","","","","has coordinates,has disorder","278756","2022-10-24","23:09:09",""
"7711534","11.8177","0.0009","18.8711","0.001","13.3208","0.001","90","","115.006","0.006","90","","2692.2","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53.5 H49 Ag Cl F6 O2 P5 -","- C53.5 H49 Ag Cl F6 O2 P5 -","- C107 H98 Ag2 Cl2 F12 O4 P10 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0499","0.0472","","","0.1337","0.1358","","","","","","1.122","","","","has coordinates","278756","2022-10-24","23:09:09",""
"7711535","11.571","0.002","18.782","0.004","13.122","0.003","90","","114.91","0.03","90","","2586.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H54 Ag Cl3 O3 P4 -","- C55 H54 Ag Cl3 O3 P4 -","- C110 H108 Ag2 Cl6 O6 P8 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.043","0.0354","","","0.0732","0.0748","","","","","","0.923","","","","has coordinates","278756","2022-10-24","23:09:09",""
"7711537","11.6318","0.0005","18.2132","0.0007","13.3823","0.0006","90","","115.452","0.001","90","","2559.92","0.19","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H48 Ag F12 N P6 -","- C53 H48 Ag F12 N P6 -","- C106 H96 Ag2 F24 N2 P12 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0348","0.0319","","","0.0779","0.0794","","","","","","1.061","","","","has coordinates","278756","2022-10-24","23:09:10",""
"7711563","9.8749","0.0002","10.5591","0.0003","13.2857","0.0003","90","","99.419","0.002","90","","1366.62","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H39 Cl3 O2 P2 Ti -","- C22 H39 Cl3 O2 P2 Ti -","- C44 H78 Cl6 O4 P4 Ti2 -","2","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0553","0.0504","","0.136","0.1278","0.136","","","","","","1.0055","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711593","10.6841","0.0002","24.5941","0.0005","14.2949","0.0003","90","","100.679","0.002","90","","3691.16","0.13","113","3","113","3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 Cl2 Cu N12 O26 -","- C64 H80 Cl2 Cu N12 O26 -","- C128 H160 Cl4 Cu2 N24 O52 -","2","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0796","0.0773","","","0.2077","0.2111","","","","","","1.016","","","","has coordinates,has disorder","278841","2022-10-27","22:57:20",""
"7711600","17.5439","0.0004","7.2896","0.0002","17.6559","0.0005","90","","90.502","0.002","90","","2257.89","0.1","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl4 Mn N2 O -","- C18 H30 Cl4 Mn N2 O -","- C72 H120 Cl16 Mn4 N8 O4 -","4","2","","Taniguchi, Kouji; Huang, Po-Jung; Kimura, Shojiro; Miyasaka, Hitoshi","Chiral weak ferromagnets formed in one-dimensional organic–inorganic hybrid manganese chloride hydrates","Dalton Transactions","2022","","","","","10.1039/D2DT02928F","","x-ray","0.71073","MoKα","","0.0398","0.0307","","","0.062","0.0644","","","","","","1.009","","","","has coordinates","278844","2022-10-27","23:00:48",""
"7711601","17.5072","0.0005","7.27776","0.00019","17.6298","0.0007","90","","90.488","0.003","90","","2246.19","0.12","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl4 Mn N2 O -","- C18 H30 Cl4 Mn N2 O -","- C72 H120 Cl16 Mn4 N8 O4 -","4","2","","Taniguchi, Kouji; Huang, Po-Jung; Kimura, Shojiro; Miyasaka, Hitoshi","Chiral weak ferromagnets formed in one-dimensional organic–inorganic hybrid manganese chloride hydrates","Dalton Transactions","2022","","","","","10.1039/D2DT02928F","","","0.71073","MoKα","","0.0385","0.0334","","","0.0758","0.0783","","","","","","1.021","","","","has coordinates","278844","2022-10-27","23:00:49",""
"7711700","12.3852","0.0006","32.5128","0.0016","15.4534","0.0007","90","","106.554","0.001","90","","5964.8","0.5","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H121 Dy4 N14 Na2 O41 -","- C102 H107 Dy4 N14 Na2 O36 -","- C204 H214 Dy8 N28 Na4 O72 -","2","1","","Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui","Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid","Dalton Transactions","2022","","","","","10.1039/D2DT02996K","","","0.71073","MoKα","","0.0805","0.056","","","0.1165","0.1302","","","","","","1.039","","","","has coordinates,has disorder","279046","2022-11-07","23:55:47",""
"7711789","9.8749","0.0019","15.155","0.003","9.9695","0.0019","90","","109.836","0.003","90","","1403.5","0.5","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N P2 Ru -","- C33 H31 N P2 Ru -","- C66 H62 N2 P4 Ru2 -","2","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","","0.71073","MoKα","","0.019","0.0188","","","0.046","0.0461","","","","","","1.051","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711846","10.4398","0.0001","11.3625","0.0001","19.0666","0.0001","90","","93.026","0.001","90","","2258.57","0.03","99.9","1","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H33 Fe N2 O P -","- C24 H33 Fe N2 O P -","- C96 H132 Fe4 N8 O4 P4 -","4","2","","Shekurov, Ruslan P.; Zagidullin, Almaz A.; Khrizanforov, Mikhail N.; Islamov, Daut R.; Gerasimova, Tatiana P.; Akhmatkhanova, Farida F.; Miluykov, Vasily A.","Ferrocene-based P-chiral amidophosphinate: stereoselective synthesis and X-ray structural study.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02930h","","","1.54184","CuKα","","0.0415","0.0394","","","0.096","0.0969","","","","","","1.051","","","","has coordinates,has disorder","279633","2022-11-29","23:52:58",""
"7711866","9.4183","0.0001","31.4732","0.0002","13.0007","0.0001","90","","104.668","0.001","90","","3728.12","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H91 N O3 P4 Ru -","- C81 H71 N O P4 Ru -","- C162 H142 N2 O2 P8 Ru2 -","2","1","","Jago, David; Langley, Amelia R.; Eaves, Samantha G.; Walkey, Mark C.; Pulbrook, Thea; Moggach, Stephen A.; Piggott, Matthew J.; Low, Paul J.; Koutsantonis, George A.","Multifunctional switching properties of ""wire-like"" dinuclear ruthenium bis-alkynyl spiropyran complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","185","200","10.1039/d2dt03045d","","","1.54184","CuKα","","0.0359","0.0337","","","0.0822","0.0836","","","","","","1.04","","","","has coordinates","283227","2023-05-05","01:37:56",""
"7711893","9.48527","0.00008","22.02675","0.00015","10.72318","0.0001","90","","116.046","0.0011","90","","2012.86","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H36 B F15 W Zr -","- C46 H36 B F15 W Zr -","- C92 H72 B2 F30 W2 Zr2 -","2","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","x-ray","0.71073","MoKα","","0.0121","0.012","","","0.0289","0.029","","","","","","1.05","","","","has coordinates","283285","2023-05-05","02:05:50",""
"7711970","10.871","0.004","7.644","0.003","13.574","0.005","90","","92.486","0.009","90","","1126.9","0.7","273","","273","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Br4 N2 O2 Zn -","- C16 H24 Br4 N2 O2 Zn -","- C32 H48 Br8 N4 O4 Zn2 -","2","1","","Teri, Gele; Jia, Qiang-Qiang; Ni, Hao-Fei; Wang, Jun-Qin; Fu, Da-Wei; Guo, Qiang","Halogen engineering of organic-inorganic hybrid perovskites displaying nonlinear optical, fluorescence properties and phase transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1074","1081","10.1039/d2dt04014j","","","0.71073","MoKα","","0.0834","0.0423","","","0.08","0.0974","","","","","","0.993","","","","has coordinates","283269","2023-05-05","01:53:56",""
"7712004","6.0246","0.0002","23.5732","0.001","12.3531","0.0005","90","","101.095","0.002","90","","1721.59","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Dy N2 O9 -","- C39 H35 Dy N2 O9 -","- C78 H70 Dy2 N4 O18 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+ complexes with (S-) and (R-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0326","0.0308","","","0.0726","0.0736","","","","","","1.141","","","","has coordinates","283266","2023-05-05","01:53:20",""
"7712005","6.0481","0.0003","23.7053","0.0012","12.2981","0.0006","90","","100.971","0.002","90","","1730.98","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Eu N2 O9 -","- C39 H35 Eu N2 O9 -","- C78 H70 Eu2 N4 O18 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+ complexes with (S-) and (R-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0666","0.0394","","","0.066","0.0817","","","","","","1.09","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712006","6.0523","0.0002","23.782","0.0009","12.2968","0.0004","90","","101.027","0.001","90","","1737.27","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N2 O9 Sm -","- C39 H35 N2 O9 Sm -","- C78 H70 N4 O18 Sm2 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+ complexes with (S-) and (R-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0189","0.0179","","","0.0399","0.0405","","","","","","1.128","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712007","6.0348","0.0003","23.6379","0.0012","12.3125","0.0007","90","","101.13","0.002","90","","1723.34","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N2 O9 Tb -","- C39 H35 N2 O9 Tb -","- C78 H70 N4 O18 Tb2 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+ complexes with (S-) and (R-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0123","0.0118","","","0.0278","0.0281","","","","","","1.02","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712008","6.0472","0.0003","23.7026","0.0011","12.3102","0.0006","90","","100.945","0.002","90","","1732.38","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Eu N2 O9 -","- C39 H35 Eu N2 O9 -","- C78 H70 Eu2 N4 O18 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+ complexes with (S-) and (R-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0386","0.032","","","0.0581","0.0614","","","","","","1.109","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712009","6.0361","0.0003","23.618","0.001","12.3265","0.0005","90","","100.962","0.002","90","","1725.21","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N2 O9 Tb -","- C39 H35 N2 O9 Tb -","- C78 H70 N4 O18 Tb2 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+ complexes with (S-) and (R-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0271","0.0259","","","0.057","0.0575","","","","","","1.154","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712038","11.799","0.0005","27.8502","0.0008","11.8914","0.0004","90","","102.167","0.004","90","","3819.8","0.2","293","0.2","293","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H38 Dy2 F18 N8 O12 -","- C78 H38 Dy2 F18 N8 O12 -","- C156 H76 Dy4 F36 N16 O24 -","2","1","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy2 supramolecular architectures constructed with the bis-β-diketonate-Dy2 building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.0541","0.0386","","","0.0602","0.0664","","","","","","0.881","","","","has coordinates,has disorder","283254","2023-05-05","01:49:51",""
"7712168","10.4167","0.0009","9.0382","0.0008","19.3517","0.0016","90","","105.274","0.001","90","","1757.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","2","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D CuII chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","0.71073","MoKα","","0.0504","0.0416","","","0.0798","0.0816","","","","","","1.011","","","","has coordinates","283237","2023-05-05","01:41:42",""
"7712171","10.4166","0.0009","9.0426","0.0008","19.36","0.0018","90","","105.247","0.002","90","","1759.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","2","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D CuII chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","0.71073","MoKα","","0.0545","0.0453","","","0.0911","0.0931","","","","","","1.033","","","","has coordinates","283237","2023-05-05","01:42:29",""
"7712225","3.8497","0.0003","7.3502","0.0005","32.611","0.003","90","","90.006","0.003","90","","922.76","0.13","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cs2 O22 W7 -","- Cs2 O22 W7 -","- Cs4 O44 W14 -","2","1","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.142","0.098","","","0.207","0.2376","","","","","","0.998","","","","has coordinates","280713","2023-01-31","23:56:41",""
"7712226","3.8318","0.0005","7.3295","0.0012","32.06","0.004","90","","90.051","0.006","90","","900.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- O22 Rb2 W7 -","- O22 Rb2 W7 -","- O44 Rb4 W14 -","2","1","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.104","0.0863","","","0.2131","0.2295","","","","","","1.074","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712233","10.3601","0.0003","16.689","0.0006","10.6015","0.0004","90","","115.329","0.001","90","","1656.78","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 B F4 P2 Rh -","- C35 H46 B F4 P2 Rh -","- C70 H92 B2 F8 P4 Rh2 -","2","1","","Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald","Rhodium and ruthenium complexes of methylene-bridged, P-stereogenic, unsymmetrical diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2424","2439","10.1039/d2dt04026c","","","0.71073","MoKα","","0.0264","0.0234","","","0.0496","0.0527","","","","","","1.062","","","","has coordinates","283251","2023-05-05","01:48:40",""
"7712234","10.6343","0.0008","15.3026","0.0011","10.7939","0.0008","90","","92.589","0.003","90","","1754.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl F6 P3 Ru -","- C35 H44 Cl F6 P3 Ru -","- C70 H88 Cl2 F12 P6 Ru2 -","2","1","","Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald","Rhodium and ruthenium complexes of methylene-bridged, P-stereogenic, unsymmetrical diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2424","2439","10.1039/d2dt04026c","","","0.71073","MoKα","","0.0194","0.0187","","","0.0433","0.044","","","","","","1.037","","","","has coordinates","283251","2023-05-05","01:48:40",""
"7712235","15.6831","0.0015","14.2537","0.0013","22.935","0.003","90","","96.936","0.005","90","","5089.4","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H68 B F4 O P4 Rh -","- C54 H68 B F4 O P4 Rh -","- C216 H272 B4 F16 O4 P16 Rh4 -","4","2","","Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald","Rhodium and ruthenium complexes of methylene-bridged, P-stereogenic, unsymmetrical diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2424","2439","10.1039/d2dt04026c","","","0.71073","MoKα","","0.0517","0.0365","","","0.0693","0.0785","","","","","","1.042","","","","has coordinates","283251","2023-05-05","01:48:40",""
"7712366","8.5887","0.0009","13.8357","0.0016","9.1332","0.0011","90","","98.207","0.009","90","","1074.2","0.2","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H39 B2 Br P2 -","- C16 H39 B2 Br P2 -","- C32 H78 B4 Br2 P4 -","2","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.045","0.0343","","","0.0746","0.079","","","","","","1.025","","","","has coordinates","281087","2023-02-22","09:16:40",""
"7712434","9.5597","0.0001","9.6035","0.0001","21.5694","0.0001","90","","94.28","0.001","90","","1974.69","0.03","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(CAAI)2BBr","","- C40 H62 B Br N4 -","- C40 H62 B Br N4 -","- C80 H124 B2 Br2 N8 -","2","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","1.54184","CuKα","","0.0229","0.0228","","","0.0614","0.0615","","","","","","1.042","","","","has coordinates","281167","2023-02-28","08:41:12",""
"7712468","15.2257","0.0002","22.1226","0.0002","19.5545","0.0002","90","","104.437","0.001","90","","6378.59","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H40 N4 Zn2 -","- C34 H40 N4 Zn2 -","- C272 H320 N32 Zn16 -","8","4","","Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz","Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents","Dalton Transactions","2023","52","9","2712","2721","10.1039/D2DT03722J","","","0.71073","MoKα","","0.0469","0.0434","","","0.1111","0.1148","","","","","","1.025","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712479","10.0282","0.0005","19.3323","0.0009","19.4044","0.001","90","","101.79","0.002","90","","3682.5","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H53 Dy N4 O Si3 -","- C34 H53 Dy N4 O Si3 -","- C136 H212 Dy4 N16 O4 Si12 -","4","2","","Guo, Yan; Liu, Kang; Qin, Yuanyuan; Wu, Qunyan; Hu, Kongqiu; Mei, Lei; Chai, Zhifang; Liu, Xiangyu; Yu, Jipan; Shi, Weiqun","Role of molecular symmetry in the magnetic relaxation dynamics of five-coordinate Dy(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2703","2711","10.1039/d3dt00095h","","","0.71073","MoKα","","0.0329","0.0265","","","0.0456","0.0473","","","","","","1.002","","","","has coordinates,has disorder","281203","2023-03-01","09:16:49",""
"7712482","3.8497","0.0003","7.3502","0.0005","32.611","0.003","90","","90.006","0.003","90","","922.76","0.13","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cs2 O22 W7 -","- Cs2 O22 W7 -","- Cs4 O44 W14 -","2","1","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.142","0.098","","","0.207","0.2376","","","","","","0.998","","","","has coordinates","281204","2023-03-01","09:19:12",""
"7712483","3.8318","0.0005","7.3295","0.0012","32.06","0.004","90","","90.051","0.006","90","","900.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- O22 Rb2 W7 -","- O22 Rb2 W7 -","- O44 Rb4 W14 -","2","1","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.104","0.0863","","","0.2131","0.2295","","","","","","1.074","","","","has coordinates","281204","2023-03-01","09:19:16",""
"7712496","15.9991","0.0002","10.0533","0.0001","19.1215","0.0002","90","","112.015","0.002","90","","2851.32","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H72 N4 O2 -","- C68 H72 N4 O2 -","- C136 H144 N8 O4 -","2","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","1.54184","CuKα","","0.0529","0.0498","","","0.134","0.1368","","","","","","1.062","","","","has coordinates","281243","2023-03-02","08:43:12",""
"7712497","15.237","0.0002","17.2186","0.0002","15.4659","0.0002","90","","105.529","0.002","90","","3909.51","0.09","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H43 Al Cl2 N2 O -","- C46 H43 Al Cl2 N2 O -","- C184 H172 Al4 Cl8 N8 O4 -","4","2","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","0.71073","MoKα","","0.0382","0.0325","","","0.0812","0.0832","","","","","","1.09","","","","has coordinates,has disorder","281243","2023-03-02","08:43:12",""
"7712601","9.6192","0.0002","33.468","0.0007","10.6609","0.0003","90","","115.105","0.001","90","","3107.89","0.13","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4.48 H3.92 B0.16 K0.16 N0.64 Ni0.32 O1.92 -","- C4.48 H3.92 B0.16 K0.16 N0.64 Ni0.32 O1.92 -","- C112 H98 B4 K4 N16 Ni8 O48 -","25","12.5","","Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang","Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00196b","","","0.71073","MoKα","","0.0519","0.0472","","","0.1085","0.1117","","","","","","1.113","","","","has coordinates","281852","2023-03-13","23:59:10",""
"7712663","12.59","0.003","16.31","0.003","14.45","0.003","90","","92.6","0.03","90","","2964.2","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H18 Be I2 P2 -","- C6 H18 Be I2 P2 -","- C48 H144 Be8 I16 P16 -","8","4","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","0.71073","MoKα","","0.0351","0.0323","","","0.0786","0.0802","","","","","","1.031","","","","has coordinates","282029","2023-03-23","23:56:03",""
"7712700","8.3719","0.0002","58.8373","0.0016","13.863","0.0004","90","","90.474","0.001","90","","6828.4","0.3","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H100 Cl2 N4 O7 Pd S -","- C67 H100 Cl2 N4 O7 Pd S -","- C268 H400 Cl8 N16 O28 Pd4 S4 -","4","2","","Zhou, Ning; Zou, Chao; Suo, Sa; Liu, Yuliang; Lin, Jinqiang; Zhang, Xiaobao; Shi, Minglin; Chang, Xiaoyong; Lu, Wei","Aggregation of phosphorescent Pd(II) and Pt(II) complexes with lipophilic counter-anions in non-polar solvents.","Dalton transactions (Cambridge, England : 2003)","2023","52","17","5503","5513","10.1039/d2dt03415h","","x-ray","1.54178","CuKα","","0.0476","0.046","","","0.113","0.114","","","","","","1.065","","","","has coordinates","283283","2023-05-05","02:02:22",""
"7712710","13.27","0.0007","16.3706","0.0008","21.4855","0.0011","90","","106.344","0.002","90","","4478.8","0.4","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H86 Mn4 Mo2 N26 O5 -","- C78 H86 Mn4 Mo2 N26 O5 -","- C156 H172 Mn8 Mo4 N52 O10 -","2","1","","Xu, Fang-Xue; Li, Ying-Lian; Wei, Xiao-Qin; Shao, Dong; Shi, Le; Wei, Haiyan; Wang, Xin-Yi","Three New MnII-[MoIII(CN)7]4– Molecular Magnets Constructed from Chiral Bidentate Chelating Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00610G","","x-ray","1.34139","GaKα","","0.0734","0.0558","","","0.1619","0.1766","","","","","","1.075","","","","has coordinates,has disorder","282140","2023-03-30","23:12:14",""
"7712712","13.2786","0.0012","16.2861","0.0013","21.4317","0.0019","90","","105.389","0.004","90","","4468.6","0.7","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H87 Mn4 Mo2 N26 O5.5 -","- C78 H87 Mn4 Mo2 N26 O5.5 -","- C156 H174 Mn8 Mo4 N52 O11 -","2","1","","Xu, Fang-Xue; Li, Ying-Lian; Wei, Xiao-Qin; Shao, Dong; Shi, Le; Wei, Haiyan; Wang, Xin-Yi","Three New MnII-[MoIII(CN)7]4– Molecular Magnets Constructed from Chiral Bidentate Chelating Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00610G","","x-ray","1.34139","GaKα","","0.0979","0.0657","","","0.1782","0.2036","","","","","","1.057","","","","has coordinates,has disorder","282140","2023-03-30","23:12:15",""
"7712721","12.2043","0.0003","7.9921","0.0002","17.2958","0.0003","90","","90.844","0.002","90","","1686.81","0.07","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H30 Mo2 N4 O12 S2 -","- C28 H30 Mo2 N4 O12 S2 -","- C56 H60 Mo4 N8 O24 S4 -","2","1","","Rana, Lata; Dheeraj, ?; Hundal, Geeta","New bis[cis-{MoO2}] complexes with dihydrazone ligands: synthesis, characterization, theoretical investigation and their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00118k","","x-ray","0.71073","MoKα","","0.0524","0.0432","","","0.098","0.1044","","","","","","1.042","","","","has coordinates,has disorder","282357","2023-04-04","22:48:32",""
"7712788","9.934","0.006","16.98","0.01","12.308","0.008","90","","93.396","0.016","90","","2072","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H66 B Eu N7 O -","- C40 H66 B Eu N7 O -","- C80 H132 B2 Eu2 N14 O2 -","2","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0378","0.0305","","","0.0635","0.0675","","","","","","1.041","","","","has coordinates,has disorder","282705","2023-04-18","23:35:29",""
"7712857","11.3697","0.0002","65.3984","0.0008","11.7619","0.0002","90","","118.507","0.003","90","","7685.3","0.3","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H40 B4 F16 N8 Pd2 -","- C64 H40 B4 F16 N8 Pd2 -","- C256 H160 B16 F64 N32 Pd8 -","4","2","","Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Construction of Pd-based coordination cages with three geometrically distinct ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00248a","","x-ray","1.54184","CuKα","","0.0703","0.062","","","0.1698","0.1748","","","","","","1.121","","","","has coordinates","282813","2023-04-24","22:57:57",""
"7712859","10.595","0.0001","17.4079","0.0002","10.6623","0.0001","90","","109.774","0.001","90","","1850.56","0.03","180","0.1","180","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H49 Ca N5 S -","- C38 H49 Ca N5 S -","- C76 H98 Ca2 N10 S2 -","2","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0521","0.0512","","","0.1328","0.134","","","","","","1.044","","","","has coordinates,has disorder","282834","2023-04-25","22:55:06",""
"7712868","10.5968","0.0006","8.2082","0.0005","10.9599","0.0006","90","","91.2","0.002","90","","953.09","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H14 Ag2 N2 O6 S2 -","- C16 H14 Ag2 N2 O6 S2 -","- C32 H28 Ag4 N4 O12 S4 -","2","1","","Gaudillat, Quentin; Krupp, Anna; Zwingelstein, Thibaut; Humblot, Vincent; Strohman, Carsten; Jourdain, Isabelle; Knorr, Michael; Viau, Lydie","Silver-based coordination polymers assembled by dithioether ligands: potential antibacterial materials despite received ideas","Dalton Transactions","2023","","","","","10.1039/D3DT00683B","","x-ray","0.71073","MoKα","","0.0279","0.0257","","","0.0522","0.0538","","","","","","1.202","","","","has coordinates","282837","2023-04-25","22:57:18",""
"7712891","11.919","0.002","12.101","0.002","12.228","0.002","90","","104.11","0.03","90","","1710.5","0.5","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C60 Cl7 Sb -","- C60 Cl7 Sb -","- C120 Cl14 Sb2 -","2","1","","Brotsman, Victor A.; Tamm, Nadezhda B.; Ioffe, Ilya N.; Eliseev, Andrei A.; Goryunkov, Alexey A.; Lyssenko, Konstantin A.; Troyanov, Sergey I.","Dimeric and 1D polymeric low-chlorinated C60 fullerenes, (C60Cl5)2 and (C60Cl4)∞.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00887h","","","0.71073","MoKα","","0.1069","0.0769","","","0.1668","0.1856","","","","","","1.002","","","","has coordinates","282912","2023-04-28","22:53:10",""
"7712893","6.9333","0.0003","28.6315","0.0014","12.6065","0.0007","90","","99.52","0.002","90","","2468.1","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cd Cl2 N2 O2 -","- C25 H28 Cd Cl2 N2 O2 -","- C100 H112 Cd4 Cl8 N8 O8 -","4","2","","Kokina, T. E.; Shekhovtsov, Nikita; Vasilyev, Evgene S.; Glinskaya, Ludmila; Mikheilis, Alexsandr V.; Plyusnin, Victor F.; Tkachev, Alexey V.; Bushuev, Mark B.","Efficient emission of Zn(II) and Cd(II) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT00904A","","","0.71073","MoKα","","0.0514","0.0342","","","0.0732","0.0776","","","","","","1.022","","","","has coordinates","282913","2023-04-28","22:53:52",""
"7712922","16.9779","0.0002","12.62848","0.00015","23.5892","0.0004","90","","97.8428","0.0013","90","","5010.34","0.12","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H30 Br2 N2 O5 Ti -","- C23 H30 Br2 N2 O5 Ti -","- C184 H240 Br16 N16 O40 Ti8 -","8","4","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.052","0.0362","","","0.0718","0.0755","","","","","","1.009","","","","has coordinates,has disorder","282966","2023-05-03","22:58:37",""
"7712940","10.7592","0.0016","20.291","0.003","10.9077","0.0015","90","","111.313","0.004","90","","2218.5","0.6","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C35 H59 Cl3 Fe O6 S2 Si2 -","- C35 H59 Cl3 Fe O6 S2 Si2 -","- C70 H118 Cl6 Fe2 O12 S4 Si4 -","2","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0754","0.0554","","","0.1222","0.1344","","","","","","1.067","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712943","11.8827","0.0007","11.1068","0.0005","13.1403","0.0007","90","","94.755","0.002","90","","1728.27","0.16","296","2","296","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C24 H41 Fe I O2 S2 Si2 -","- C24 H41 Fe I O2 S2 Si2 -","- C48 H82 Fe2 I2 O4 S4 Si4 -","2","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0662","0.0398","","","0.0949","0.1079","","","","","","0.969","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712950","9.0327","0.0005","17.1436","0.0007","22.4164","0.0017","90","","97.007","0.005","90","","3445.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Dy N5 O14 Zn -","- C30 H28 Dy N5 O14 Zn -","- C120 H112 Dy4 N20 O56 Zn4 -","4","2","","Huang, Hong; Sun, Rong; Wu, Xiao-Fan; Liu, Youchao; Zhan, Jun-Zheng; Wang, Bingwu; Gao, Song","Circularly Polarized Luminescence and Magneto-Optic Effect from Chiral Dy(III)-Single Molecule Magnet","Dalton Transactions","2023","","","","","10.1039/D3DT00625E","","x-ray","0.71073","MoKα","","0.0627","0.0492","","","0.0984","0.106","","","","","","1.043","","","","has coordinates","283005","2023-05-04","22:58:16",""
"7713007","6.18045","0.00011","11.0106","0.00013","25.1159","0.0004","90","","90.966","0.0016","90","","1708.91","0.05","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H24 Au Cl N2 O2 -","- C17 H24 Au Cl N2 O2 -","- C68 H96 Au4 Cl4 N8 O8 -","4","2","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0379","0.0368","","","0.0854","0.0861","","","","","","1.174","","","","has coordinates","283700","2023-05-11","23:06:47",""
"7713027","8.7953","0.0002","33.8428","0.0008","14.0963","0.0003","90","","92.314","0.002","90","","4192.45","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","FeSS, [Fe(tpySS)2](PF6)2","Iron(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)","","- C34 H29 F12 Fe N7 P2 S4 -","- C34 H29 F12 Fe N7 P2 S4 -","- C136 H116 F48 Fe4 N28 P8 S16 -","4","2","","Trang, Christina D. M.; Saal, Thomas; Inkpen , Michael Stephen","Methyldisulfide groups enable the direct connection of air-stable metal bis(terpyridine) complexes to gold surfaces","Dalton Transactions","2023","","","","","10.1039/D3DT00955F","","","1.54178","CuKα","","0.0807","0.0618","","","0.1342","0.1416","","","","","","1.037","","","","has coordinates,has disorder","283793","2023-05-15","22:59:28",""
"7713205","8.0466","0.0002","7.6224","0.0002","11.8986","0.0003","90","","106.668","0.003","90","","699.13","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O P -","- C15 H18 N O P -","- C30 H36 N2 O2 P2 -","2","1","","Wang, Jian-Ge; Liu, Yang; Liu, Chun-Mei; Chen, Jing-Huo; Yang, Guang","An efficient mixed-valence copper pyrazolate catalyst for the conversion of carbon dioxide and epoxides into cyclic carbonates","Dalton Transactions","2023","","","","","10.1039/D3DT00844D","","","0.71073","MoKα","","0.0276","0.025","","","0.0684","0.069","","","","","","1.084","","","","has coordinates","284078","2023-05-30","22:59:04",""
"7713291","20.683","0.0017","7.451","0.0006","34.055","0.003","90","","90.169","0.003","90","","5248.2","0.8","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H120.65 Ag16 Br24 N16 -","- C56 H120.637 Ag16 Br24 N16 -","- C112 H241.274 Ag32 Br48 N32 -","2","1","","Pan, Xue-Wei; Li, Qing-Qing; Zhai, Lu; Zhang, Jin; Liu, Wen-Long; Ren, Xiao-Ming","Organic-inorganic haloargentate hybrids of [Me-dabco]Ag2X3 (X = I or Br) with halide ions manipulating the crystal structure, phase transition, and dielectric behavior.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01366a","","x-ray","0.71073","MoKα","","0.0787","0.0488","","","0.1021","0.1169","","","","","","1.03","","","","has coordinates,has disorder","284623","2023-06-29","11:02:25",""
"7713297","8.4053","0.0012","16.6488","0.0016","9.7517","0.0014","90","","105.712","0.011","90","","1313.6","0.3","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H30 Cl26 N4 Se6 -","- C16 H30 Cl26 N4 Se6 -","- C16 H30 Cl26 N4 Se6 -","1","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0604","0.0422","","","0.0892","0.0981","","","","","","0.98","","","","has coordinates","284626","2023-06-29","11:05:45",""
"7713309","12.1851","0.0002","26.1606","0.0004","15.8166","0.0003","90","","107.634","0.0009","90","","4804.94","0.14","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H156 O4 Sn2 -","- C110 H156 O4 Sn2 -","- C220 H312 O8 Sn4 -","2","1","","McLoughlin, Connor P.; Kaseman, Derrick C.; Fettinger, James C.; Power, Philip P.","Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster [Ge6(μ3-O)4(μ2-OC6H2-2,4,6-Cy3)4](NH3)0.5: main group aryloxides of Ge(II), Sn(II), and Pb(II) [M(OC6H2-2,4,6-Cy3)2]2 (Cy = cyclohexyl).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00906h","","","0.71073","MoKα","","0.0623","0.0436","","","0.0731","0.0803","","","","","","0.995","","","","has coordinates","284629","2023-06-29","11:10:04",""
"7713368","7.7757","0.0003","15.305","0.0005","11.4543","0.0005","90","","107.668","0.004","90","","1298.84","0.09","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H12 Br3 N O3 Pb -","- C5 H12 Br3 N O3 Pb -","- C20 H48 Br12 N4 O12 Pb4 -","4","2","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta; Dascalu, Andrei; Shova, Sergiu; Gural'skiy, Il'ya A.","Structural diversity in proline-based lead bromide chiral perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02056H","","x-ray","0.71073","MoKα","","0.077","0.0432","","","0.049","0.0585","","","","","","0.936","","","","has coordinates","284789","2023-07-04","23:01:11",""
"7713413","7.3313","0.0002","9.0913","0.0002","8.7803","0.0002","90","","93.714","0.002","90","","583.99","0.02","292.9","0.2","292.9","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H14 Mg N2 O10 P2 -","- C4 H14 Mg N2 O10 P2 -","- C8 H28 Mg2 N4 O20 P4 -","2","1","","Luo, Lisiteng; Wen, Xuemei; Cheng, Juan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis of magnesium phosphite-oxalates showing second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01885G","","x-ray","1.54184","CuKα","","0.0458","0.0452","","","0.1168","0.1184","","","","","","1.091","","","","has coordinates","285089","2023-07-07","22:52:39",""
"7713461","8.6827","0.0002","11.649","0.0003","25.0534","0.0007","90","","89.971","0.002","90","","2534.02","0.11","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H53 Cl4 F6 Ir N5 O2 P -","- C47 H53 Cl4 F6 Ir N5 O2 P -","- C94 H106 Cl8 F12 Ir2 N10 O4 P2 -","2","1","","Łomzik, Michał; Blauz, Andrzej; Glodek, Marta; Makal, Anna; Tchoń, Daniel Mateusz; Ayine-Tora, Daniel Moscoh; Hartinger, Christian; Rychlik, Blazej; Plazuk, Damian","Organometallic Ru, Os, Rh and Ir Half-Sandwich Conjugates of Ispinesib - Impact of the Organometallic Group on the Antimitotic Activity","Dalton Transactions","2023","","","","","10.1039/D3DT01217D","","x-ray","1.54184","CuKα","","0.0489","0.0481","","","0.1125","0.1129","","","","","","1.061","","","","has coordinates","285192","2023-07-12","23:09:44",""
"7713554","13.8049","0.0004","37.9296","0.0013","13.908","0.0005","90","","116.381","0.001","90","","6524","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H84 B N3 O2 P Sc -","- C74 H84 B N3 O2 P Sc -","- C296 H336 B4 N12 O8 P4 Sc4 -","4","2","","You, Fen; Wang, Jixing; Liu, Hui; Kang, Xiaohui; Shi, Xiaochao","Phosphine-functionalized amidinate ligated rare-earth metal complexes for highly 3,4-selective living polymerization of 1,3-conjugated dienes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04167g","","","0.71073","MoKα","","0.0991","0.0588","","","0.1211","0.1367","","","","","","1.024","","","","has coordinates","285313","2023-07-21","22:54:48",""
"7713559","9.8878","0.0007","8.4324","0.0007","15.4023","0.0012","90","","98.845","0.007","90","","1268.94","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H33 N5 -","- C29 H33 N5 -","- C58 H66 N10 -","2","1","","P. Ferreira, Millena; Bezerra Castro, Caio; de Araújo Neto, João Honorato; he, sheng; Gonçalves Guimarães Júnior, Walber; Esmieu, Charlene; Castellano, Eduardo; de Moura, André Farias; Truzzi, Daniela Ramos; Nascimento, Otaciro; Simonneau, Antoine; Netto, Caterina Gruenwaldt Cunha Marques","Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite","Dalton Transactions","2023","","","","","10.1039/D3DT01091K","","x-ray","0.71073","MoKα","","0.0435","0.0369","","","0.0934","0.0995","","","","","","1.044","","","","has coordinates,has disorder","285337","2023-07-25","22:51:18",""
"7713574","10.392","0.0002","34.9915","0.0007","20.6937","0.0005","90","","95.87","0.001","90","","7485.4","0.3","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H59 B F24 Ir N4 S2 -","- C76 H52 B F24 Ir N4 S2 -","- C304 H208 B4 F96 Ir4 N16 S8 -","4","2","","Tao, Peng; Zheng, Xiao-Kang; Jiang, He; Sheng, Xinghao; Deng, Yongjing; Chan, Yuk Yin Ian; Zhao, Qiang; Wong, Wai-Yeung Raymond","Efficient 1-(thiophen-2-yl)isoquinoline-based ionic iridophosphors with bulky counterion for solution-processed deep-red electroluminescence","Dalton Transactions","2023","","","","","10.1039/D3DT02061D","","","1.54178","CuKα","","0.0402","0.0357","","","0.0801","0.0822","","","","","","0.989","","","","has coordinates,has disorder","285369","2023-07-27","22:55:05",""
"7713589","10.47706","0.00006","16.55786","0.0001","15.24231","0.00009","90","","98.9266","0.0005","90","","2612.17","0.03","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H58 B Cl P2 Ru -","- C67 H58 B Cl P2 Ru -","- C134 H116 B2 Cl2 P4 Ru2 -","2","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.019","0.0181","","","0.0426","0.0428","","","","","","1.044","","","","has coordinates","285378","2023-07-28","22:56:45",""
"7713616","5.89","0.02","15.53","0.06","10.89","0.04","90","","95.96","0.03","90","","991","6","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N3 S -","- C24 H19 N3 S -","- C48 H38 N6 S2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1115","0.0644","","","0.1285","0.1411","","","","","","1.028","","","","has coordinates","285400","2023-07-31","23:00:26",""
"7713656","11.1244","0.0013","11.751","0.0013","24.533","0.003","90","","90.096","0.003","90","","3207","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Cr N2 O4 P2 -","- C32 H40 Cr N2 O4 P2 -","- C128 H160 Cr4 N8 O16 P8 -","4","2","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","","0.71073","MoKα","","0.0397","0.0377","","","0.0837","0.0849","","","","","","1.039","","","","has coordinates","285455","2023-08-04","22:51:42",""
"7713768","14.112","0.003","10.1415","0.0018","15.181","0.003","90","","109.99","0.004","90","","2041.8","0.7","113","","113","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 B2 Cl4 O4 Zr -","- C12 H24 B2 Cl4 O4 Zr -","- C48 H96 B8 Cl16 O16 Zr4 -","4","2","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.0854","0.0577","","","0.1233","0.1372","","","","","","1.043","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713770","13.978","0.002","10.0266","0.0013","14.979","0.002","90","","110.049","0.003","90","","1972.1","0.5","113","","113","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 B2 Cl4 O4 Ti -","- C12 H24 B2 Cl4 O4 Ti -","- C48 H96 B8 Cl16 O16 Ti4 -","4","2","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.101","0.0966","","","0.2115","0.2156","","","","","","1.098","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713800","10.9361","0.0001","14.8281","0.0002","16.8695","0.0002","90","","101.223","0.001","90","","2683.27","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H41 Cl12 N3 O Se -","- C49 H41 Cl12 N3 O Se -","- C98 H82 Cl24 N6 O2 Se2 -","2","1","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","1.54184","CuKα","","0.031","0.0295","","","0.0776","0.0786","","","","","","1.025","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713819","15.1059","0.0014","9.4304","0.0009","17.6428","0.0016","90","","102.041","0.002","90","","2458","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-BiniqH4 . CH3OH . PhCH3","(R)-2,2'-bis-N-(2-hydroxy-3,5-di-tert-butylphenyl)amino-1,1'-binaphthyl methanol toluene solvate","","- C56 H68 N2 O3 -","- C56 H68 N2 O3 -","- C112 H136 N4 O6 -","2","1","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","0.71073","MoKα","","0.1268","0.0888","","","0.1977","0.2183","","","","","","1.239","","","","has coordinates","285899","2023-08-29","22:56:17",""
"7713820","12.7971","0.0004","13.0573","0.0004","25.72","0.0008","90","","95.8873","0.0015","90","","4275","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","(A,R,R)-(Bdan)OsO . (C,R,R)-(Bdan)OsO","(A,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium (C,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium cocrystal","","- C92 H112 N4 O14 Os2 -","- C92 H112 N4 O14 Os2 -","- C184 H224 N8 O28 Os4 -","2","1","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","1.54178","CuKα","","0.0213","0.0195","","","0.0471","0.0479","","","","","","1.046","","","","has coordinates","285899","2023-08-29","22:56:17",""
"7713955","26.3794","0.0006","14.7997","0.0002","30.8356","0.0005","90","","91.093","0.002","90","","12036.3","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C116 H99 B4 F16 Fe2 N31 O12 -","- C114 H96 B3 F12 Fe2 N30 O12 -","- C456 H384 B12 F48 Fe8 N120 O48 -","4","2","","Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra","Dalton Transactions","2023","","","","","10.1039/D3DT02486E","","","0.71073","MoKα","","0.109","0.0796","","","0.202","0.2213","","","","","","1.041","","","","has coordinates,has disorder","286360","2023-09-15","22:51:52",""
"7714116","6.5214","0.0002","20.7113","0.0006","9.6322","0.0003","90","","106.55","0.008","90","","1247.09","0.08","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H38 B F3 N2 O3 S -","- C23 H38 B F3 N2 O3 S -","- C46 H76 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.0416","0.0385","","","0.1148","0.1181","","","","","","0.964","","","","has coordinates","286662","2023-10-04","22:55:10",""
"7714262","8.9068","0.0003","19.6606","0.0006","9.8849","0.0004","90","","109.16","0.004","90","","1635.09","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N10 O14 V2 -","- C23 H28 N10 O14 V2 -","- C46 H56 N20 O28 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","x-ray","0.71073","MoKα","","0.0405","0.0377","","","0.0904","0.0932","","","","","","1.043","","","","has coordinates","287066","2023-10-20","23:04:13",""
"7714263","10.1454","0.0002","13.6326","0.0002","12.7784","0.0002","90","","109.196","0.002","90","","1669.09","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N12 O12 V2 -","- C22 H34 N12 O12 V2 -","- C44 H68 N24 O24 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","x-ray","1.54184","CuKα","","0.044","0.0384","","","0.0942","0.1091","","","","","","1.1","","","","has coordinates","287066","2023-10-20","23:04:14",""
"7714264","8.8863","0.0001","19.5997","0.0001","9.8686","0.0001","90","","108.907","0.001","90","","1626.07","0.03","100","0.1","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N10 O14 V2 -","- C23 H28 N10 O14 V2 -","- C46 H56 N20 O28 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","","1.54184","CuKα","","0.0289","0.0266","","","0.0698","0.0713","","","","","","1.082","","","","has coordinates","287066","2023-10-20","23:04:14",""
"7714265","10.1662","0.0001","13.6125","0.0001","12.8047","0.0001","90","","109.405","0.001","90","","1671.35","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N12 O12 V2 -","- C22 H34 N12 O12 V2 -","- C44 H68 N24 O24 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","x-ray","1.54184","CuKα","","0.03","0.0257","","","0.0662","0.0695","","","","","","1.036","","","","has coordinates","287066","2023-10-20","23:04:14",""
"7714378","8.8503","0.00009","26.9786","0.0002","9.14388","0.00009","90","","118.799","0.0014","90","","1913.24","0.04","120","1","120","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B11 Cl11 Se -","- B11 Cl11 Se -","- B44 Cl44 Se4 -","4","2","","Keller, Willi; Hofmann, Matthias; Wadepohl, Hubert; Enders, Markus; Fanfrlík, Jindřich; Hnyk, Drahomír","Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of closo-1-SeB9Cl9 and the crystal structure of closo-SeB11Cl11.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02987e","","x-ray","0.71073","MoKα","","0.0203","0.019","","","0.0384","0.0387","","","","","","1.085","","","","has coordinates","287265","2023-11-05","00:08:55",""
"7714430","10.1341","0.0009","19.8579","0.0013","11.3131","0.0008","90","","95.212","0.007","90","","2267.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H35 F9 N3 O6 Yb -","- C46 H35 F9 N3 O6 Yb -","- C92 H70 F18 N6 O12 Yb2 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.0667","0.0468","","","0.0625","0.0669","","","","","","0.982","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714431","10.1213","0.0006","19.8331","0.001","11.3132","0.0008","90","","95.262","0.006","90","","2261.4","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H35 F9 N3 O6 Yb -","- C46 H35 F9 N3 O6 Yb -","- C92 H70 F18 N6 O12 Yb2 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.097","0.066","","","0.13","0.1498","","","","","","1.035","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714432","10.3289","0.0006","20.9947","0.0012","21.4061","0.0012","90","","98.852","0.006","90","","4586.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H89 N3 O13 Yb2 -","- C108 H89 N3 O13 Yb2 -","- C216 H178 N6 O26 Yb4 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.0734","0.0543","","","0.0828","0.0899","","","","","","0.999","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714433","10.3498","0.0007","21.0293","0.0011","21.4472","0.0014","90","","98.962","0.006","90","","4611","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H89 N3 O13 Yb2 -","- C108 H89 N3 O13 Yb2 -","- C216 H178 N6 O26 Yb4 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.0816","0.0572","","","0.0782","0.0879","","","","","","0.928","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714466","18.7356","0.0009","18.5219","0.001","11.6384","0.0006","90","","90","","90","","4038.7","0.4","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","1","","- C1.71 F3.43 Ge0.14 O0.57 -","- C1.71429 F3.42857 Ge0.142857 O0.571429 -","- C96 F192 Ge8 O32 -","56","28","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0892","0.084","","","0.2274","0.2352","","","","","","1.049","","","","has coordinates,has disorder","289462","2024-02-04","11:44:12",""
"7714467","13.1705","0.0007","7.6969","0.0004","27.2166","0.0014","90","","101.376","0.0017","90","","2704.8","0.2","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H50 Cl2 F6 N5 O4 P Ru -","- C47 H50 Cl2 F5.993 N5 O4 P Ru -","- C94 H100 Cl4 F11.986 N10 O8 P2 Ru2 -","2","1","","Labra-Vázquez, Pablo; Rocha, Erika; Xiao, Yue; Tassé, Marine; Duhayon, Carine; Farfán, Norberto; Santillan, Rosa; Gibot, Laure; Lacroix, Pascal G.; Malfant, Isabelle","A Trojan Horse Approach to Enhancing the Cell Income of a Ruthenium Nitrosyl Complex","Dalton Transactions","2023","","","","","10.1039/D3DT03480A","","","0.71073","MoKα","","0.0431","0.04","","0.1029","0.1012","0.1029","","","","","","0.9698","","","","has coordinates,has disorder","287630","2023-11-15","23:58:30",""
"7714527","10.5411","0.0001","29.9273","0.0004","21.4675","0.0003","90","","92.394","0.001","90","","6766.37","0.15","123","1","123","1","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C91 H46 Ag2 Al2 Cl6 F72 Mo8 O24 P4 Sb4 -","- C91 H46 Ag2 Al2 Cl6 F72 Mo8 O24 P4 Sb4 -","- C182 H92 Ag4 Al4 Cl12 F144 Mo16 O48 P8 Sb8 -","2","1","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","0.71073","MoKα","","0.0499","0.0441","","","0.1059","0.11","","","","","","1.055","","","","has coordinates,has disorder","287764","2023-11-23","23:52:23",""
"7714580","7.9805","0.0002","5.8498","0.0002","23.4594","0.0007","90","","90.834","0.001","90","","1095.07","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H10 F3 N O3 Sn -","- C8 H10 F3 N O3 Sn -","- C32 H40 F12 N4 O12 Sn4 -","4","2","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0302","0.0279","","","0.0658","0.0668","","","","","","1.032","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714582","7.9798","0.0003","5.8516","0.0002","23.4718","0.0009","90","","90.865","0.001","90","","1095.88","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H10 F3 N O3 Sn -","- C8 H10 F3 N O3 Sn -","- C32 H40 F12 N4 O12 Sn4 -","4","2","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0339","0.0321","","","0.0794","0.0803","","","","","","1.028","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714620","2.9064","0.0008","5.4219","0.0005","9.6871","0.0009","90","","94.99","0.012","90","","152.07","0.05","293","2","293","2","","","20000000","","","","","3","P 1 21 1","P 2yb","4","","","","- C2 Na2 O5 -","- C2 Na2 O5 -","- C4 Na4 O10 -","2","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","High-pressure synthesis of acentric sodium pyrocarbonate, Na2[C2O5].","Dalton transactions (Cambridge, England : 2003)","2023","53","1","40","44","10.1039/d3dt03673a","","x-ray","0.2906","","","0.0601","0.0601","","","0.0459","0.0459","","","","1.47","1.47","1.47","","","","has coordinates","289459","2024-02-04","11:42:49",""
"7714621","3.3127","","6.1611","","9.7267","","90","","86.3408","","90","","198.116","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C2 Na2 O5 -","- C2 Na2 O5 -","- C4 Na4 O10 -","2","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","High-pressure synthesis of acentric sodium pyrocarbonate, Na2[C2O5].","Dalton transactions (Cambridge, England : 2003)","2023","53","1","40","44","10.1039/d3dt03673a","","","","","","","","","","","","","","","","","","","","","has coordinates","289459","2024-02-04","11:42:49",""
"7714622","2.9694","","5.4964","","9.7458","","90","","94.9451","","90","","158.469","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C2 Na2 O5 -","- C2 Na2 O5 -","- C4 Na4 O10 -","2","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","High-pressure synthesis of acentric sodium pyrocarbonate, Na2[C2O5].","Dalton transactions (Cambridge, England : 2003)","2023","53","1","40","44","10.1039/d3dt03673a","","","","","","","","","","","","","","","","","","","","","has coordinates","289459","2024-02-04","11:42:49",""
"7714670","12.677","0.0002","12.1215","0.0002","13.1408","0.0002","90","","98.944","0.002","90","","1994.72","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H59 Al N2 O -","- C44 H59 Al N2 O -","- C88 H118 Al2 N4 O2 -","2","1","","Goswami, Santu; Mandal, Pranay; Sarkar, Subham; Mukherjee, Mainak; Pal, Samanwita; Mallick, Dibyendu; Mukherjee, Debabrata","Flexible NHC-aryloxido aluminum complex and its zwitterionic imidazolium aluminate precursor in ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1346","1354","10.1039/d3dt02932h","","x-ray","1.54184","CuKα","","0.0457","0.0422","","","0.1157","0.1202","","","","","","1.127","","","","has coordinates","289552","2024-02-04","12:11:42",""
"7714735","10.7822","0.0004","17.9182","0.0005","11.2267","0.0004","90","","107.076","0.001","90","","2073.35","0.12","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl6 N4 Ni O4 -","- C36 H44 Cl6 N4 Ni O4 -","- C72 H88 Cl12 N8 Ni2 O8 -","2","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0338","0.0307","","","0.0681","0.0697","","","","","","1.031","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714736","13.4002","0.0006","7.508","0.0003","17.3761","0.0007","90","","109.185","0.001","90","","1651.1","0.12","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H46 N4 Ni O4 -","- C36 H46 N4 Ni O4 -","- C72 H92 N8 Ni2 O8 -","2","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0273","0.0261","","","0.0698","0.0706","","","","","","1.043","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714834","5.16088","0.00012","8.67413","0.00016","6.54739","0.00015","90","","106.652","0.002","90","","280.81","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","1","0.5","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0285","0.0283","","","0.0751","0.0754","","","","","","1.064","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714835","4.07223","0.00005","10.00743","0.00014","6.99455","0.00009","90","","104.204","0.0013","90","","276.331","0.006","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 K N5 O2 -","- C2 H2 K N5 O2 -","- C4 H4 K2 N10 O4 -","2","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.128","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714856","5.8691","0.0003","7.3775","0.0004","11.0578","0.0007","90","","102.454","0.006","90","","467.53","0.05","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 Cu N2 S -","- C10 H7 Cu N2 S -","- C20 H14 Cu2 N4 S2 -","2","1","","Nishiyama, Tomoki; Kitoh-Nishioka, Hirotaka; Tanaka, Senku; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Yoshida, Masaki; Kato, Masako; Okubo, Takashi","A copper(I) thiocyanate-based photoresponsive semiconducting 2D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1445","1448","10.1039/d3dt03125j","","x-ray","0.71073","MoKα","","0.0329","0.0312","","","0.074","0.0751","","","","","","1.038","","","","has coordinates","289502","2024-02-04","11:56:39",""
"7714870","9.57345","0.00016","12.02833","0.00019","30.3122","0.0004","90","","92.7992","0.0014","90","","3486.36","0.09","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","Co(SS-cth)(phendiox)AsF6_300K","","- C62 H94 As2 Co2 F12 N8 O5 -","- C62 H88 As2 Co2 F12 N8 O5 -","- C124 H176 As4 Co4 F24 N16 O10 -","2","1","","Xu, Wen-Huang; Huang, Yu-Bo; Zheng, Wen-Wei; Su, Sheng-Qun; Kanegawa, Shinji; Wu, Shu-Qi; Sato, Osamu","Photo-induced valence tautomerism and polarization switching in mononuclear cobalt complexes with an enantiopure chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2512","2516","10.1039/d3dt03915c","","","0.41195","synchrotron","","0.1643","0.0802","","","0.1656","0.1963","","","","","","1.047","","","","has coordinates","290175","2024-03-04","20:16:57",""
"7714871","9.51352","0.0001","11.92241","0.00011","30.335","0.0003","90","","93.7791","0.0009","90","","3433.24","0.06","78","","78","","","","","","","","","7","P 1 21 1","P 2yb","4","","Co(SS-cth)(phendiox)AsF6_78K","","- C62 H94 As2 Co2 F12 N8 O5 -","- C62 H88 As2 Co2 F12 N8 O5 -","- C124 H176 As4 Co4 F24 N16 O10 -","2","1","","Xu, Wen-Huang; Huang, Yu-Bo; Zheng, Wen-Wei; Su, Sheng-Qun; Kanegawa, Shinji; Wu, Shu-Qi; Sato, Osamu","Photo-induced valence tautomerism and polarization switching in mononuclear cobalt complexes with an enantiopure chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2512","2516","10.1039/d3dt03915c","","","0.4171","synchrotron","","0.1208","0.0886","","","0.178","0.1916","","","","","","1.056","","","","has coordinates","290175","2024-03-04","20:16:57",""
"7714973","8.9536","0.0001","10.269","0.0001","13.1629","0.0001","90","","95.543","0.001","90","","1204.6","0.02","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H24 In2 N2 O21 P4 -","- C6 H24 In2 N2 O21 P4 -","- C12 H48 In4 N4 O42 P8 -","2","1","","Pan, Tian-Yu; Wen, Wei-Yang; Ma, Wen; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","New group IIIA metal phosphate-oxalates containing dimethylammonium cations with proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2318","2323","10.1039/d3dt03368f","","","1.54178","CuKα","","0.0308","0.0305","","","0.0788","0.0791","","","","","","1.046","","","","has coordinates","289473","2024-02-04","11:47:33",""
"7715008","14.1718","0.0003","15.5447","0.0004","15.4562","0.0004","90","","106.216","0.002","90","","3269.48","0.14","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C20 H26 Au B Cl4 N6 O2 Se W -","- C20 H26 Au B Cl4 N6 O2 Se W -","- C80 H104 Au4 B4 Cl16 N24 O8 Se4 W4 -","4","2","","Watson, Lachlan J.; Hill, Anthony F.","Stable cyclopropenylvinyl ligands via insertion into a transient cyclopropenyl metal bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3629","3637","10.1039/d3dt03997h","","","1.54184","CuKα","","0.0496","0.0438","","","0.1157","0.1211","","","","","","1.02","","","","has coordinates","290164","2024-03-04","20:13:18",""
"7715086","12.8951","0.0005","6.9779","0.0002","15.6193","0.0006","90","","97.804","0.004","90","","1392.42","0.09","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H37.25 Br1.5 Cl0.5 Fe N4.75 O3 -","- C19 H32 Br1.502 Cl0.498 Fe N3 O3 -","- C38 H64 Br3.004 Cl0.996 Fe2 N6 O6 -","2","1","","Kras, Elizabeth A.; Cineus, Roy; Crawley, Matthew R.; Morrow, Janet R.","Macrocyclic complexes of Fe(III) with mixed hydroxypropyl and phenolate or amide pendants as T1 MRI probes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4154","4164","10.1039/d3dt04013e","","x-ray","1.54184","CuKα","","0.0556","0.0452","","","0.1213","0.1282","","","","","","1.046","","","","has coordinates,has disorder","290213","2024-03-04","20:25:24",""
"7715111","14.336","0.003","22.784","0.005","34.552","0.006","90","","100.957","0.005","90","","11080","4","273","2","273","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C190 H151 Cl20 Eu2 F6 N30 O24 S6 -","- C174 H131 Eu2 N30 O6 -","- C348 H262 Eu4 N60 O12 -","2","1","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.71073","MoKα","","0.1139","0.0884","","","0.2423","0.262","","","","","","1.009","","","","has coordinates","290920","2024-04-04","23:19:58",""
"7715167","29.023","0.006","21.827","0.004","33.519","0.007","90","","90.856","0.008","90","","21231","7","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- K Na1.5 Nd6 O144 Sb4 W36 -","- K Na1.5 Nd6 O144 Sb4 W36 -","- K4 Na6 Nd24 O576 Sb16 W144 -","4","2","","Yu, Lan; Ye, Jing; Li, Da-Huan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","A tetrahedron-shaped polyoxoantimotungstate encapsulating a hexanuclear octahedral lanthanide-oxo cluster for an amperometric bromate sensor.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5258","5265","10.1039/d3dt03789d","","","0.71073","MoKα","","0.0624","0.0502","","","0.1177","0.1231","","","","","","1.012","","","","has coordinates","290960","2024-04-04","23:30:41",""
"7715188","10.1292","0.0003","9.7663","0.0003","18.4954","0.0006","90","","94.364","0.002","90","","1824.35","0.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Au F6 N4 P -","- C16 H18 Au F6 N4 P -","- C64 H72 Au4 F24 N16 P4 -","4","2","","Sookai, Sheldon; Akerman, Matthew P.; Munro, Orde Q.","Chiral Au(III) chelates exhibit unique NCI-60 cytotoxicity profiles and interactions with human serum albumin.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5089","5104","10.1039/d3dt04024k","","","0.71073","MoKα","","0.0362","0.0258","","","0.0427","0.0449","","","","","","0.971","","","","has coordinates,has disorder","290969","2024-04-04","23:32:52",""
"7715228","9.3855","0.0001","24.4893","0.0003","16.22","0.0002","90","","101.316","0.001","90","","3655.6","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H49 B N10 Ni O -","- C31 H49 B N10 Ni O -","- C124 H196 B4 N40 Ni4 O4 -","4","2","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0508","0.0456","","","0.1164","0.1198","","","","","","1.029","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715320","14.6989","0.0009","23.5345","0.0017","8.3881","0.0005","90","","111.988","0.003","90","","2690.6","0.3","150.02","","150.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H63 B F12 P4 Si6 -","- C39 H63 B F12 P4 Si6 -","- C78 H126 B2 F24 P8 Si12 -","2","1","","Thomson, Jordan; Michailovich, Sofia; Miao, Linkun; Farrell, Jeffrey M.; Murray, Jillian A.; Lough, Alan; Stephan, Douglas W.","Triple para-substitution reactions of B(C6F5)3 and [(C6F5)3PF]+ with P(SiMe3)3.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5775","5778","10.1039/d4dt00251b","","","0.71073","MoKα","","0.0818","0.0512","","","0.0945","0.1057","","","","","","1.0347","","","","has coordinates","290931","2024-04-04","23:24:46",""
"7715413","14.6493","0.0005","16.2996","0.0005","14.677","0.0005","90","","115.084","0.0013","90","","3174.02","0.18","100.01","","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 O7 Pr Si3 -","- C70 H77 O7 Pr Si3 -","- C140 H154 O14 Pr2 Si6 -","2","1","","Xue, Tianjiao; Ding, You-Song; Zheng, Zhiping","A tetravalent praseodymium complex with field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5779","5783","10.1039/d4dt00052h","","","0.71073","MoKα","","0.0533","0.0447","","","0.1052","0.1111","","","","","","1.04","","","","has coordinates","290928","2024-04-04","23:22:54",""
"7715443","7.8208","0.0011","17.044","0.002","19.28","0.003","90","","94.509","0.004","90","","2562","0.6","297","2","293","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","3","3","","- C45 H49 Fe2 K2 N4 O19 -","- C45 H52 Fe2 K2 N4 O19 -","- C90 H104 Fe4 K4 N8 O38 -","2","1","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li+, Na+, K+, and Ba2+ with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al3+ salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0364","0.0326","","","0.0757","0.0785","","","","","","1.038","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715492","13.0239","0.001","12.5202","0.0009","18.2775","0.0012","90","","99.281","0.003","90","","2941.3","0.4","299","2","299","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C62 H82 B2 Ca N3 O P -","- C62 H82 B2 Ca N3 O P -","- C124 H164 B4 Ca2 N6 O2 P2 -","2","1","","Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Barium phosphidoboranes and related calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6892","6905","10.1039/d4dt00487f","","x-ray","0.71073","MoKα","","0.0483","0.0412","","","0.0933","0.0976","","","","","","0.999","","","","has coordinates,has disorder","291630","2024-05-05","02:53:46",""
"7715536","8.5069","0.0003","8.567","0.0002","18.8513","0.0007","90","","97.645","0.003","90","","1361.64","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2,6-di{pyrazol-1-yl}pyridine]nickel(II) diperchlorate","","- C22 H18 Cl2 N10 Ni O8 -","- C22 H18 Cl2 N10 Ni O8 -","- C44 H36 Cl4 N20 Ni2 O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0392","0.0351","","","0.0659","0.0686","","","","","","1.05","","","","has coordinates,has disorder","291623","2024-05-05","02:49:03",""
"7715539","8.5567","0.0007","8.6233","0.0006","19.2053","0.0015","90","","96.371","0.007","90","","1408.35","0.19","300","0.1","300","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.50:0.50 solid solution","","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C44 H36 Cl4 Fe N20 Ni O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0765","0.0532","","","0.1074","0.121","","","","","","1.084","","","","has coordinates,has disorder","291623","2024-05-05","02:49:06",""
"7715540","8.4913","0.0004","8.5507","0.0004","18.725","0.0008","90","","98.181","0.004","90","","1345.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.50:0.50 solid solution","","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C44 H36 Cl4 Fe N20 Ni O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0433","0.0377","","","0.0712","0.0739","","","","","","1.033","","","","has coordinates,has disorder","291623","2024-05-05","02:49:07",""
"7715541","8.4873","0.0005","8.5486","0.0005","18.6946","0.001","90","","98.424","0.005","90","","1341.74","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.76:0.24 solid solution","","- C22 H18 Cl2 Fe0.76 N10 Ni0.24 O8 -","- C22 H18 Cl2 Fe0.76 N10 Ni0.24 O8 -","- C44 H36 Cl4 Fe1.52 N20 Ni0.48 O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0532","0.0487","","","0.0911","0.0931","","","","","","1.111","","","","has coordinates,has disorder","291623","2024-05-05","02:49:07",""
"7715634","9.1109","0.0003","10.0604","0.0004","18.7421","0.0006","90","","91.389","0.003","90","","1717.38","0.1","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O2 Pt -","- C40 H50 N2 O2 Pt -","- C80 H100 N4 O4 Pt2 -","2","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71075","MoKα","","0.1229","0.113","","","0.3204","0.3273","","","","","","1.068","","","","has coordinates","290764","2024-04-03","22:55:57",""
"7715715","5.5261","0.0004","11.2082","0.0008","14.0565","0.0012","90","","97.992","0.003","90","","862.17","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 Ag2 N4 O12 -","- C10 H18 Ag2 N4 O12 -","- C20 H36 Ag4 N8 O24 -","2","1","","Vargova, Zuzana; Kuzderová, Gabriela; Sovova, Simona; Rendošová, Michaela; Gyepes, Róbert; Sabolová, Danica; Kožárová, Ivona; Balážová, Ľudmila; Vilkova, Maria; Kello, Martin; Liška, Alan","Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach","Dalton Transactions","2024","","","","","10.1039/D4DT00389F","","","0.71073","MoKα","","0.0358","0.0351","","","0.1062","0.1071","","","","","","1.108","","","","has coordinates","291207","2024-04-15","23:10:45",""
"7715716","5.4739","0.0001","11.0228","0.0003","13.9383","0.0004","90","","98.041","0.001","90","","832.74","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 Ag2 N4 O10 -","- C10 H18 Ag2 N4 O10 -","- C20 H36 Ag4 N8 O20 -","2","1","","Vargova, Zuzana; Kuzderová, Gabriela; Sovova, Simona; Rendošová, Michaela; Gyepes, Róbert; Sabolová, Danica; Kožárová, Ivona; Balážová, Ľudmila; Vilkova, Maria; Kello, Martin; Liška, Alan","Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach","Dalton Transactions","2024","","","","","10.1039/D4DT00389F","","","0.71073","MoKα","","0.0156","0.0152","","","0.0329","0.0331","","","","","","1.036","","","","has coordinates","291207","2024-04-15","23:10:46",""
"7715730","6.877","0.002","14.447","0.003","7.97","0.002","90","","93.81","0.02","90","","790.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 B Br2 N2 O2 -","- C17 H13 B Br2 N2 O2 -","- C34 H26 B2 Br4 N4 O4 -","2","1","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00522H","","","0.71073","MoKα","","0.0472","0.0354","","","0.0649","0.0686","","","","","","1.057","","","","has coordinates","291211","2024-04-15","23:13:30",""
"7715742","8.672","0.0005","17.5977","0.0008","18.1245","0.001","90","","95.677","0.002","90","","2752.4","0.3","125","","125","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 In N O P -","- C29 H37 In N O P -","- C116 H148 In4 N4 O4 P4 -","4","2","","George, Tanner; Masuda, Jason Douglas","Contrasting a Series of Bidentate Amido Phosphine Oxide, Sulfide, or Selenide Ligands and Complexes of Dimethyl Aluminum and Indium","Dalton Transactions","2024","","","","","10.1039/D4DT00662C","","","0.71073","MoKα","","0.016","0.0158","","","0.0416","0.0417","","","","","","1.071","","","","has coordinates","291239","2024-04-16","23:06:29",""
"7715776","11.17085","0.00016","18.4947","0.0002","16.5929","0.0002","90","","101.455","0.0014","90","","3359.84","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H34 B2 N2 -","- C44 H34 B2 N2 -","- C176 H136 B8 N8 -","4","2","","Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg; Lamm, Jan-Hendrik; Mitzel, Norbert Werner","Bidentate Boron Lewis Acids: Synthesis by Tin Boron Exchange Reaction and Host-Guest Complex Formation","Dalton Transactions","2024","","","","","10.1039/D4DT00782D","","x-ray","1.54184","CuKα","","0.0697","0.0687","","","0.1791","0.18","","","","","","1.13","","","","has coordinates,has disorder","291268","2024-04-17","22:57:25",""
"7715854","10.4325","0.0017","5.3198","0.0007","12.7174","0.0015","90","","108.111","0.004","90","","670.83","0.16","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H6 Mn N4 O8 -","- C12 H6 Mn N4 O8 -","- C24 H12 Mn2 N8 O16 -","2","1","","García-García, Amalia; Medina-O'Donnell, Marta; Rojas, Sara; Cano-Merenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, J.; Vitorica Yrezabal, Iñigo J.; Rodríguez Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid","Dalton Transactions","2024","","","","","10.1039/D4DT00265B","","","0.71073","MoKα","","0.0799","0.0543","","","0.0992","0.1125","","","","","","1.014","","","","has coordinates","291373","2024-04-26","22:51:51",""
"7715859","10.5242","0.0009","5.4425","0.0004","12.4602","0.0013","90","","107.135","0.003","90","","682.02","0.11","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H6 Cd N4 O8 -","- C12 H6 Cd N4 O8 -","- C24 H12 Cd2 N8 O16 -","2","1","","García-García, Amalia; Medina-O'Donnell, Marta; Rojas, Sara; Cano-Merenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, J.; Vitorica Yrezabal, Iñigo J.; Rodríguez Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid","Dalton Transactions","2024","","","","","10.1039/D4DT00265B","","","0.71073","MoKα","","0.0475","0.0387","","","0.0725","0.0771","","","","","","0.997","","","","has coordinates","291373","2024-04-26","22:51:52",""
"7715891","14.33587","0.00019","19.9667","0.0003","14.4962","0.0002","90","","94.5979","0.0013","90","","4136.04","0.1","266","30","266","30","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H41.5 B17 Mg N4.5 O31.5 -","- B17 Mg O30.5 -","- B68 Mg4 O122 -","4","2","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B18φ34-35]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d3dt04048h","","x-ray","1.54184","CuKα","","0.0568","0.0544","","","0.1557","0.1583","","","","","","1.0168","","","","has coordinates","291414","2024-04-29","23:03:17",""
"7715932","11.5186","0.0009","19.8427","0.0016","21.2591","0.0017","90","","100.794","0.002","90","","4773","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H57 Li3 N6 Si3 -","- C51 H57 Li3 N6 Si3 -","- C204 H228 Li12 N24 Si12 -","4","2","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for N-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0694","0.0477","","","0.0931","0.1007","","","","","","1.03","","","","has coordinates","291467","2024-05-02","22:57:04",""
"8000008","16.155","0.002","15.088","0.003","17.174","0.002","90","","112.312","0.009","90","","3872.8","1","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C14 H56 Cl4 Co2 N6 O7 Pd S6 -","- C14 H56 Cl4 Co2 N6 O7 Pd S6 -","- C56 H224 Cl16 Co8 N24 O28 Pd4 S24 -","4","2","","Yu Chikamoto; Masakazu Hirotsu; Tatsuya Kawamoto; Takumi Konno","Alkylation of Nonbridging Thiolato Groups in an S-bridged CoIIIPdIICoIII Trinuclear Complex: Control of Geometrical Isomerism by Tuning Trans Influence Due to Sulfur Donors","Chemistry Letters","2005","34","3","362","","10.1246/cl.2005.362","","","0.71069","MoKα","","0.1803","0.0327","","","0.1016","0.1555","","","","","","0.916","","","","has coordinates","210358","2020-10-21","18:00:00",""
"8000011","6.528","0.005","7.994","0.005","20.615","0.005","90","0.005","92.192","0.005","90","0.005","1075","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H27 N5 -","- C24 H27 N5 -","- C48 H54 N10 -","2","1","","Yue-Zhi Cui; Qi Fang; Gang Xue; Gui-Bao Xu; Lei Yin; Wen-Tao Yu","Cooperative Enhancement of Two-photon Absorption of Multibranched Compounds with Vinylenes Attaching to the s-Triazine Core","Chemistry Letters","2005","34","5","644","","10.1246/cl.2005.644","","","0.71069","MoKα","","0.2439","0.0636","","","0.105","0.1594","","","","","","0.872","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000058","7.6049","0.0006","20.3114","0.0017","19.2794","0.0015","90","","91.721","0.002","90","","2976.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H34 O10 -","- C29 H34 O9.875 -","- C116 H136 O39.5 -","4","2","","Yu-Bo Wang; Guang-Min Yao; Hong-Bing Wang; Guo-Wei Qin","A Novel Diterpenoid from Euphorbia fischeriana","Chemistry Letters","2005","34","8","1160","","10.1246/cl.2005.1160","","","0.71073","MoKα","","0.1196","0.066","","","0.1836","0.1995","","","","","","0.919","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000060","15.272","0.003","41.54","0.009","9.1022","0.0012","90","","103.232","0.017","90","","5621.1","1.9","288","2","288","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H137 Ag2 Cl4.5 Co5 Mn3 N33.5 O69.5 S5 -","- C35 H105 Ag2 Cl4.5 Co5 Mn3 N33.5 O69.5 S5 -","- C70 H210 Ag4 Cl9 Co10 Mn6 N67 O139 S10 -","2","1","","Takashi Aridomi; Masakazu Hirotsu; Takashi Yoshimura; Tatsuya Kawamoto; Takumi Konno","A Remarkable CoIIIMnIIAgI Heterometallic Aggregate with L-Cysteinate That Accommodates Chiral Cobalt(III) Octahedra in a 1D Channel","Chemistry Letters","2005","34","6","770","","10.1246/cl.2005.770","","","0.7107","MoKα","","0.0695","0.0674","","","0.1798","0.1836","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000063","15.8627","0.0007","13.034","0.0005","19.6598","0.0009","90","","90.244","0.002","90","","4064.7","0.3","113.2","","113.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C77 H89 F12 Mn2 N4 O13.5 Sb2 -","- C77 H75 F12 Mn2 N4 O13.5 Sb2 -","- C154 H150 F24 Mn4 N8 O27 Sb4 -","2","1","","Masakazu Hirotsu; Naoki Ohno; Takashi Nakajima; Keiji Ueno","Synthesis of a Cofacial Schiff-Base Dimanganese(III) Complex for Asymmetric Catalytic Oxidation of Sulfides","Chemistry Letters","2005","34","6","848","","10.1246/cl.2005.848","","","0.7107","MoKα","","0.0538","0.0511","","","","0.1466","","","","","","1.043","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000130","10.471","0.003","7.363","0.001","14.136","0.003","90","","104.22","0.008","90","","1056.5","0.4","223.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O -","- C25 H28 N2 O -","- C50 H56 N4 O2 -","2","1","","Watabe, Tsuyoshi; Yoshikawa, Daisuke; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Supramolecular Chirality and Isomerism in Cinchonidine Crystals: Hierarchical Analysis on the Basis of the Asymmetric 21 Helical Columnar Assembly","Chemistry Letters","2006","35","7","806","","10.1246/cl.2006.806","","","1.5418","CuKα","","","0.0931","","","","0.2609","","","","","","1.207","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000157","14.8933","0.0006","12.9949","0.0005","18.6164","0.0008","90","","100.496","0.002","90","","3542.7","0.3","296.1","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium 3,5-di-tert-butyl-4-hydroxybenzoate acetone solvate","","","- C79 H102 N4 O15 -","- C79 H102 N4 O15 -","- C158 H204 N8 O30 -","2","1","","Watabe, Tsuyoshi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Four Kinds of 21 Helical Assemblies with the Molecular Tilt as Well as Three-directional and Facial Chirality","Chemistry Letters","2007","36","2","234","","10.1246/cl.2007.234","","x-ray","1.54187","CuKα","","","0.1653","","","","0.3851","","","","","","1.182","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000175","12.179","0.012","14.775","0.01","12.01","0.012","90","","117.22","0.03","90","","1922","3","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H50 N2 O6 S2 -","- C44 H50 N2 O6 S2 -","- C88 H100 N4 O12 S4 -","2","1","","Sugiura, Hiroki; Sakai, Daisuke; Otani, Harunori; Teranishi, Kazuhiro; Takahira, Yusuke; Amemiya, Ryo; Yamaguchi, Masahiko","Synthesis and Structure of Optically Active 1,12-Diethyl- and 1,12-Diisopropylbenzo[c]phenanthrenes: An Isopropyl Group Can Be Smaller than a Methyl Group","Chemistry Letters","2007","36","1","72","","10.1246/cl.2007.72","","","0.71075","MoKα","","","0.0386","","","","0.0729","","","","","","0.928","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000184","7.1629","0.0002","14.2956","0.0003","10.1682","0.0003","90","","91.774","0.001","90","","1040.7","0.05","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O7 -","- C22 H30 O7 -","- C44 H60 O14 -","2","1","","Li, Ping-Lin; Zhang, Zhan-Xin; Jia, Zhong-Jian","Four New Eremophilane Derivatives from Ligularia sagitta","Chemistry Letters","2008","37","3","308","","10.1246/cl.2008.308","","","0.71073","MoKα","","0.0355","0.0324","","","0.0857","0.0879","","","","","","1.32","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000305","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0703","0.0703","","0.0833","0.0833","","","","2.21","2.21","2.21","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000306","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0715","0.0715","","0.0843","0.0843","","","","2.2369","2.2369","2.2369","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000307","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0618","0.0618","","0.0776","0.0776","","","","2.7385","2.7385","2.7385","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000308","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0624","0.0624","","0.0785","0.0785","","","","2.7698","2.7698","2.7698","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000421","13.6905","0.0009","19.3639","0.0013","28.2678","0.0019","90","","97.376","0.002","90","","7431.8","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67.28 H51.67 Cl1.19 N4 O12.68 Zn -","- C67.2725 H51.6405 Cl1.198 N4 O12.6735 Zn -","- C269.09 H206.562 Cl4.792 N16 O50.694 Zn4 -","4","2","","Margarit, Charles G.; Asimow, Naomi G.; Gonzalez, Miguel I.; Nocera, Daniel G.","Double Hangman Iron Porphyrin and the Effect of Electrostatic Nonbonding Interactions on Carbon Dioxide Reduction.","The journal of physical chemistry letters","2020","","","1890","1895","10.1021/acs.jpclett.9b03897","","","0.71073","MoKα","","0.0905","0.0755","","","0.2128","0.2286","","","","","","1.052","","","","has coordinates,has disorder","248716","2020-10-21","18:00:00",""
"8000440","9.5732","0.0004","9.1568","0.0004","15.2531","0.0007","90","","94.935","0.002","90","","1332.13","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C40 H64 Br8 Mn1.2 N4 Zn0.8 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.33","","","","","","","has coordinates","254284","2020-10-21","18:00:00",""
"8000441","9.5764","0.0005","9.1603","0.0004","15.2625","0.0007","90","","94.924","0.003","90","","1333.93","0.11","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C40 H64 Br8 Mn1.6 N4 Zn0.4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","1.46","","","","","","","has coordinates","254285","2020-10-21","18:00:00",""
"8000442","9.552","0.0002","9.134","0.0002","15.2067","0.0003","90","","94.953","0.0014","90","","1321.8","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 N2 Zn -","- C20 H32 Br4 N2 Zn -","- C40 H64 Br8 N4 Zn2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.07","1.86","","","","","","","has coordinates","254286","2020-10-21","18:00:00",""
"8000443","9.59257","0.00035","9.17931","0.00031","15.29408","0.00049","90","","94.8868","0.0019","90","","1341.8","0.08","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.56","1.704","","","","","","","has coordinates","254287","2020-10-21","18:00:00",""
"8000444","9.5593","0.0004","9.1402","0.0003","15.2225","0.0006","90","","94.958","0.002","90","","1325.07","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C40 H64 Br8 Mn0.4 N4 Zn1.6 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","1.33","","","","","","","has coordinates","254288","2020-10-21","18:00:00",""
"8000445","9.5667","0.0004","9.1487","0.0003","15.2381","0.0006","90","","94.949","0.002","90","","1328.71","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C40 H64 Br8 Mn0.8 N4 Zn1.2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","1.28","","","","","","","has coordinates","254289","2020-10-21","18:00:00",""
"8000466","10.2996","0.0001","26.3489","0.0002","22.2194","0.0002","90","","92.337","0.001","90","","6024.96","0.09","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H74 Br9 In N6 O -","- C48 H74 Br9 In N6 O -","- C192 H296 Br36 In4 N24 O4 -","4","2","","Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun","Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping.","The journal of physical chemistry letters","2020","11","23","10164","10172","10.1021/acs.jpclett.0c03079","","x-ray","1.54184","CuKα","","0.0418","0.0362","","","0.0867","0.0961","","","","","","1.063","","","","has coordinates,has disorder","259530","2020-12-04","02:30:19",""
"8000477","12.6111","0.0005","7.5598","0.0003","15.0851","0.0006","90","","100.886","0.001","90","","1412.29","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C72 H64 N8 O2 -","2","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0469","0.0379","","","0.091","0.0981","","","","","","1.053","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000514","13.0611","0.001","38.48","0.003","16.0189","0.0013","90","","90.703","0.001","90","","8050.4","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H43 Eu F9 N3 O8 -","- C56 H43 Eu F9 N3 O8 -","- C336 H258 Eu6 F54 N18 O48 -","6","3","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow f-f Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0435","0.0373","","","0.071","0.073","","","","","","1.063","","","","has coordinates,has disorder","267653","2021-07-20","23:59:40",""
"8000515","12.815","0.007","24.134","0.014","18.953","0.011","90","","107.872","0.004","90","","5579","6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H34 Eu F18 N3 O8 -","- C56 H30.5 Eu F18 N3 O8 -","- C224 H122 Eu4 F72 N12 O32 -","4","2","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow f-f Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0426","0.0354","","","0.072","0.0752","","","","","","1.029","","","","has coordinates,has disorder","267654","2021-07-21","00:00:08",""
"8000549","10.7291","0.0002","12.2843","0.0003","19.3087","0.0004","90","","93.931","0.002","90","","2538.89","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H50 N4 O4 -","- C70 H50 N4 O4 -","- C140 H100 N8 O8 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[b]- and Dibenzo[b,i]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71073","MoKα","","0.0665","0.0452","","","0.1068","0.116","","","","","","1.043","","","","has coordinates","269535","2021-10-04","01:45:36",""
"8000565","6.6196","0.0002","12.2116","0.0003","12.732","0.0003","90","","90.157","0.002","90","","1029.2","0.05","105","4","105","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O -","- C24 H35 N O -","- C48 H70 N2 O2 -","2","1","","Hu, Shuhe; Yao, Zhen; Ma, Xuan; Yue, Lei; Chen, Luyao; Liu, Ran; Wang, Peng; Li, Haiyan; Zhang, Shi-Tong; Yao, Dong; Cui, Tian; Zou, Bo; Zou, Guangtian","Pressure-Induced Local Excitation Promotion: New Route toward High-Efficiency Aggregate Emission Based on Multimer Excited State Modulation.","The journal of physical chemistry letters","2022","","","1290","1299","10.1021/acs.jpclett.1c04214","","x-ray","1.54184","CuKα","","0.0382","0.0362","","","0.0949","0.0963","","","","","","1.057","","","","has coordinates","272542","2022-02-04","01:56:44",""
"8100038","10.0279","0.0002","11.1076","0.0003","17.0856","0.0004","90","","105.522","0.001","90","","1833.68","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","2","","Chaichantipyuth, C.; Muangsin, N.; Chaichit, N.; Roengsumran, S.; Petsom, A.; Watanabe, T.; Ishikawa, T.","Crystal structure of (‒)-hardwickiic acid, C~19~H~27~OCOOH","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100073","8.547","0.003","9.1757","0.0019","11.166","0.002","90","","102.241","0.019","90","","855.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker","Crystal structure of (3R,1S',2S')-3-[1-benzyloxy-2,3-isopropylidenedioxy- propyl]-2-methyltetrahydro-1,2-oxazole, C~17~H~25~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","191","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100074","6.2327","0.0003","7.936","0.0003","14.1536","0.0005","90","","99.709","0.004","90","","690.05","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H22 Cl N O4 -","- C12 H22 Cl N O4 -","- C24 H44 Cl2 N2 O8 -","2","1","","Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker","Crystal structure of (3S,4S)-4,5-O-cyclohexylidene-4,5-dihydroxy-3- methylamino-pentanoic acid hydrochloride, (C~12~H~22~NO~4~)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","193","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100076","10.119","0.002","14.125","0.003","11.542","0.002","90","","106.87","0.03","90","","1578.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","BASPHOS (NBD)","","","- C29 H44 B F4 O4 P2 Rh -","- C29 H44 B F4 O4 P2 Rh -","- C58 H88 B2 F8 O8 P4 Rh2 -","2","1","","Holz, Jens; Börner, Armin; Spannenberg, Anke; Pribbenow, Cornelia; Heller, Detlef; Drexler, Hans-Joachim","Crystal structure of (η^4^-norborna-2,5-dien)-(1,2-bis((R,R)- 2,5-bis(methoxymethyl)phospholanyl)benzene)rhodium(I) tetrafluoroborate, [Rh(C~22~H~36~O~4~P~2~)(C~7~H~8~)](BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","199","200","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8100144","12.4174","0.0017","4.491","0.0006","16.514","0.002","90","","91.021","0.005","90","","920.8","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H15 Cl N2 O3 -","- C23 H15 Cl N2 O3 -","- C46 H30 Cl2 N4 O6 -","2","1","","Rubin-Preminger, J. M.; Win, T.; Granot, Y.; Bittner, S.","Crystal structure of N-[4-(2-chloro-1,4-dioxo-1,4-dihydro-naphthalen- 3-ylamino)-phenyl]-benzamide, C~23~H~15~ClN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","323","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100164","10.592","0.002","18.188","0.003","10.777","0.002","90","","98.39","0.01","90","","2053.9","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","2","","Peters, K.; Peters, E.-M.; Zahn, G.; Gutke, H.-J.; Spitzner, D.","Crystal structure of ethyl (1S,7R,11R,4'S)-benzo[4,5]-11-(2',2'-dimethyl- 1',3'-dioxolan-4'-yl)-10-oxotricyclo[5.3.1.0^2,6^]undec-2(6)-ene-1- carboxylate, C~23~H~26~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","365","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100194","10.3394","0.0012","7.3758","0.0009","14.3665","0.0017","90","","90.313","0.002","90","","1095.6","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Yu, Zhi-Guo; Bi, Kai-Shun; Li, Zhen-Yu; Guo, Yue-Wei","Crystal structure of hyrtiosal, C~25~H~38~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","415","416","10.1524/ncrs.2004.219.14.447","","","","","","","","","","","","","","","","","","","","","has coordinates","256933","2020-10-21","18:00:00",""
"8100214","12.126","0.001","8.507","0.001","17.874","0.002","90","","92.43","0.01","90","","1842.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O10 -","- C16 H22 O10 -","- C64 H88 O40 -","4","2","","Peters, K.; Peters, E.-M.; Hartmann, K.; Kim, B. G.; Linker, T.","Crystal structure of butyl (2R,3R,4R)-2,3,4-triacetoxy-4-[(2R)-oxo- tetrahydrofuran-2-yl]-acetate, C~16~H~22~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","461","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100219","11.2847","0.0008","8.2066","0.0003","11.378","0.0008","90","","101.542","0.002","90","","1032.4","0.11","228","2","228","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 F3 N2 O5 S -","- C20 H21 F3 N2 O5 S -","- C40 H42 F6 N4 O10 S2 -","2","1","","Laus, G.; Wurst, K.; Horvath, U. I. E.; Schmidhammer, H.; Schottenberger, H.","Crystal structure of 5,6-didehydro-14-hydroxy-3-methoxy-17-methyl-4- (trifluoromethylsulfonyloxy)morphinan-6-carbonitrile, C~20~H~21~F~3~N~2~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","499","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100247","6.356","0.002","17.418","0.005","9.586","0.003","90","","100.75","0.02","90","","1042.6","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Tinant, B.; Laurent, M.; Cérésiat, M.; Marchand-Brynaert, J.","Crystal structure of N-[1',1'-(diphenyl)-hydroxymethyl]-3(S)-[1'(R)- hydroxyethyl]-4(S)-(t-butyl-oxomethyl)-azetidin-2-one, C~23~H~27~NO~4~, an unexpectedly stable intermediate in the photochemical cleavage of N-benzhydryl protecting group","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","145","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100252","8.3109","0.0017","10.888","0.002","15.665","0.003","90","","97.09","0.03","90","","1406.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","PEP SG1","","","- C26 H43 N2 O7 P -","- C26 H43 N2 O7 P -","- C52 H86 N4 O14 P2 -","2","1","","Leroi, Corinne; Ciufolini, Marco A.; Perrin, Monique; Grosvallet, Laurent","Crystal structure of ((1R)-1,2-((4S)-4-benzyl-2-oxo-oxazolidine-3- yl)-(1S)-1-methyl-2-oxo-ethoxy]-tert-butyl-amino-2,2-dimethyl-propyl)- phosphonic acid diethylester, C~26~H~43~N~2~O~7~P","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","39","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100277","6.3805","0.0013","17.294","0.004","9.254","0.002","90","","98.39","0.017","90","","1010.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Br N O3 -","- C8 H12 Br N O3 -","- C32 H48 Br4 N4 O12 -","4","2","","Frey, Wolfgang; Redcliffe, James Leo; Jäger, Volker","Crystal structure of (3S,4R,5S)-5-bromomethyl-3,4-isopropylidenedioxy- 3,4-dihydro-5H-pyrrole-1-oxid, C~8~H~12~BrNO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","109","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100279","5.0336","0.0005","13.964","0.0019","9.0254","0.0015","90","","98.564","0.01","90","","627.31","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura","Crystal structure of 5-methoxy-2,3-dihydro-7H-dibenzo[de,h]quinolin- 7-one, C~17~H~13~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","83","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100313","12.689","0.006","7.539","0.002","19.49","0.003","90","","105.87","0.03","90","","1793.4","1","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","2","","Schütz, Johannes; Schmidhammer, Helmut; Wurst, Klaus","Crystal structure of 14β-hydroxy-3,4-dimethoxy-5β,17-dimethylmorphinan- 6-one, C~20~H~27~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","181","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100356","6.62","0.0006","7.4058","0.0007","9.9002","0.0009","90","","92.108","0.001","90","","485.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi K P2 S6 -","- Bi K P2 S6 -","- Bi2 K2 P4 S12 -","2","1","","Manriquez, Víctor; Galdámez, Antonio; León, D. Ruiz; Garland, M. T.; Jiménez, M.","Crystal structure of potassium bismuth hexathiodiphosphate, KBiP~2~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","151","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100470","11.7973","0.0009","5.6054","0.0003","11.938","0.0009","90","","107.977","0.009","90","","750.9","0.09","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O2 S3 -","- C13 H19 N O2 S3 -","- C26 H38 N2 O4 S6 -","2","1","","Wilhelm, Michaela; Strasdeit, Henry","Crystal structure of 7-(p-toluenesulfonyl)-7-aza-1,4-dithiacyclononane (Ts[9]aneNS2), C~13~H~19~NO~2~S~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","551","552","10.1524/ncrs.2003.218.4.551","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","256925","2020-10-21","18:00:00",""
"8100488","6.144","0.002","12.398","0.005","8.16","0.003","90","","97","0.02","90","","616.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Tinant, Bernard; Robiette, Raphael; Marchand-Brynaert, Jacqueline","Crystal structure of (S)-3-(Z-1',3'-butadienyl)-4-phenyl- thiazoline- 2-one, C~13~H~13~NOS, a chiral 1-amino-diene useful in Diels-Alder cycloaddition reactions","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","475","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100520","6.605","0.0013","7.6511","0.0015","9.754","0.002","90","","92.11","0.03","90","","492.6","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Potassium Antimony hexathiodiphosphate","","","- K P2 S6 Sb -","- K P2 S6 Sb -","- K2 P4 S12 Sb2 -","2","1","","Víctor Manriquez; Antonio Galdámez; D. Ruiz León; M. T. Garland","Crystal structure of potassium antimony hexathio-diphosphate, KSbP~2~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","403","404","10.1524/ncrs.2003.218.4.403","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100543","19.169","0.004","11.351","0.002","10.642","0.002","90","","103.44","0.03","90","","2252","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","methylammonium guanidinium bis(nitrilotriacetato) zirconate 1.5 hydrate","","","- C14 H27 N6 O13.5 Zr -","- C14 H27 N6 O13.5 Zr -","- C56 H108 N24 O54 Zr4 -","4","2","","Haussühl, Eiken; Giester, G.; Tillmanns, E.","Crystal structure of methylammonium guanidinium bis(nitrilotriacetato) zirconate hydrate, (CH~3~NH~3~)[C(NH~2~)~3~]Zr[N(CH~2~COO)~3~]~2 ~ · 1.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","71","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100545","6.707","0.002","7.519","0.002","17.868","0.002","90","","93.7","0.01","90","","899.3","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C42 H60 O4 -","2","1","","Tiekink, E. R. T.","Crystal structure of the steroid 3-ethoxyandrosta-3,5-dien-17-one, C~21~H~30~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","81","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100563","8.3492","0.0006","10.505","0.0009","8.472","0.0006","90","","118.663","0.005","90","","652.01","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 I O5 -","- C10 H17 I O5 -","- C20 H34 I2 O10 -","2","1","","Hahn, Dirk Uwe; Frey, Wolfgang; Jäger, Volker","Crystal structure of methyl 6-deoxy-6-iodo-2,3-O-isopropylidene-alpha- D-mannopyranoside, C~10~H~17~IO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","123","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100575","9.6895","0.0007","23.0104","0.0013","10.1973","0.0005","90","","92.239","0.005","90","","2271.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O10 -","- C20 H34 O10 -","- C80 H136 O40 -","4","2","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of 6,6-bis(methyl-2,3-O-isopropylidene-6-deoxy-alpha- D-mannopyranoside), C~20~H~34~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","125","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100615","10.39","0.001","7.105","0.001","11.639","0.001","90","","109.95","0.01","90","","807.64","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 S -","- C16 H18 N2 O5 S -","- C32 H36 N4 O10 S2 -","2","1","","Griesbeck, Axel G.; Oelgemöller, Michael; Lex, Johann","Crystal structure of (4bS,9S)4b-hydroxy-11,13-dioxo-4b,7,8,9,10,11, 12,13-octahydro-5H-6-thia-10,12a-diaza-cyclodeca[a]indene-9-carboxylic acid methyl ester, C~16~H~18~N~2~O~5~S, with a remarkable short S···H contact of 2.61 Å","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","235","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100647","11.534","0.002","15.352","0.003","18.568","0.004","90","","107.09","0.03","90","","3142.6","1.1","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C64 H80 O16 -","- C64 H80 O16 -","- C128 H160 O32 -","2","1","","Ben Sdira, S.; Guidicelli, M. B.; Bavoux, C.; Lamartine, R.; Perrin, M.","Crystal structure of 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis- [((R)-2-O-acetylpropanoyl)oxy]calix[4]arene, C~64~H~80~O~16~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","295","297","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100678","11.324","0.002","15.558","0.009","13.01","0.002","90","","106.15","0.02","90","","2201.6","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","tert-butyloxy-carbonyl-leucyl-dehydro-phenylalanyl-isoleucyl-dehydro- phenylalanyl-isoleucine methyl ester, design of peptides with α,β-dehydro-residues","","","- C42 H59 N5 O8 -","- C42 H59 N5 O8 -","- C84 H118 N10 O16 -","2","1","","Makker, J.; Dey, S.; Kumar, P.; Singh, T.P.","Crystal structure of Boc-Leu-ΔPhe-Ile-ΔPhe-Ile-OCH~3~, C~42~H~59~N~5~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100683","7.413","0.002","9.757","0.003","10.994","0.003","90","","95.08","0.02","90","","792.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C32 H42 N2 O6 S2 -","2","1","","Tinant, Bernard; Mahuteau-Betzer, Florence; Ghosez, Léon","Crystal structure of (1R,5S,6R,7S)-7-(methyltosylamino)spiro[bicyclo [3.2.0]-heptan-6,2'-oxirane], C~16~H~21~NO~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","381","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100712","6.2282","0.0008","8.23","0.0006","10.5903","0.0008","90","","105.256","0.008","90","","523.71","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C18 H26 N2 O8 -","2","1","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of (3R,4S,5R)-3,4-O-isopropylidenedioxy-5-vinyl- dihydro-furan-2-one oxime, C~9~H~13~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","403","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100715","6.784","0.002","8.497","0.002","12.665","0.004","90","","101.91","0.02","90","","714.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C26 H44 O12 -","2","1","","Hahn, Dirk Uwe; Frey, Wolfgang; Jäger, Volker","Crystal structure of 2,3:4,6-di-O-isopropylidene-α-D-mannopyranoside, C~13~H~22~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","409","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100759","9.981","0.003","10.765","0.003","9.565","0.003","90","","91.04","0.01","90","","1027.6","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Br O3 S -","- C20 H25 Br O3 S -","- C40 H50 Br2 O6 S2 -","2","1","","Kirfel, A.; Euler, H.; Valder, C.; Neugebauer, M.; Meier, M.; Braun, N.A.","Crystal structure of (1R,2S,5S,6R,7R)-6-(4-bromobenzenesulfonyloxy)- methyl-2,7-dimethyl-tricyclo[5.2.2.0^1,5^]undec-8-ene, C~20~H~25~BrO~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","539","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100763","9.995","0.002","10.554","0.002","11.196","0.002","90","","92.95","0.03","90","","1179.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 N10 O12 Zr -","- C14 H26 N10 O12 Zr -","- C28 H52 N20 O24 Zr2 -","2","1","","Haussühl, Eiken; Haussühl, Siegfried; Tillmanns, E.","Crystal structure of bis(aminoguanidinium) bis(nitrilotriacetato)zirconate, [(NH~2~)~2~CNHNH~2~]~2~Zr[N(CH~2~COO)~3~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","531","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100774","8.029","0.002","5.415","0.001","17.391","0.003","90","","97.94","0.03","90","","748.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C34 H28 N4 O2 S2 -","2","1","","Karolak-Wojciechowska, Janina; Czylkowski, Robert; Kieć-Kononowicz, Katarzyna; Szymańska, Ewa; Dzierżawska, Agnieszka","Crystal structure of Z-5-(4-phenylbenzylidene)-2-methylthio-imidazoline- 4-one, C~17~H~14~N~2~OS","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","581","582","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100849","9.5652","0.0011","7.5975","0.0011","12.4961","0.0014","90","","90.552","0.009","90","","908.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O7 -","- C18 H21 N O7 -","- C36 H42 N2 O14 -","2","1","","Frey, Wolfgang; Hilgers, Petra; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-triacetoxy-1-phenyl- 3,3a,4,5,6,6a-hexahydro-1H-cyclo-pent[c]-isoxazole, C~18~H~21~NO~7~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","93","94","","","","","","","","0.0376","","","0.0853","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100854","6.279","0.002","9.308","0.003","10.219","0.003","90","","90","0.05","90","","597.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H13 Br2 N O4 -","- C8 H13 Br2 N O4 -","- C16 H26 Br4 N2 O8 -","2","1","","Crisma, M.; Possenti, M.; Lazzari, D.; Soverini, M.; De Lucchi, O.","Crystal structure of 2α-(1,2-dibromoisopropyl)-5α-nitro- 5β-methyl-1,3-dioxane, C~8~H~13~NO~4~Br~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","103","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100887","13.01","0.003","15.264","0.003","13.136","0.003","90","","118.03","0.03","90","","2302.6","0.8","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H55 B F4 N O2 P2 Rh -","- C51 H55 B F4 N O2 P2 Rh -","- C102 H110 B2 F8 N2 O4 P4 Rh2 -","2","1","","Drexler, H.-J.; Spannenberg, A.; Heller, D.","Crystal structure of (S)-2,3-O,N-bis(diphenylphosphino)-1-(naphthoxy)- 2-hydroxy-3-cyclohexylamino-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~51~H~55~BF~4~NO~2~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","169","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100946","9.92","0.002","11.339","0.002","10.541","0.002","90","","113.35","0.03","90","","1088.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 N6 O14 Zr -","- C13 H26 N6 O14 Zr -","- C26 H52 N12 O28 Zr2 -","2","1","","Haussühl, Eiken; Tillmanns, Ekkehart","Crystal structure of ammonium guanidinium zirconium bis(nitrilotriacetate) dihydrate, (NH~4~)(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","273","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100947","11.916","0.002","9.906","0.002","12.064","0.002","90","","111.01","0.03","90","","1329.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","'bis(dimethylamine) zirconium bis(nitrilotriacetate)' tetrahydrate","","","- C16 H36 N4 O16 Zr -","- C16 H36 N4 O16 Zr -","- C32 H72 N8 O32 Zr2 -","2","1","","Haussühl, Eiken; Giester, G.; Tillmanns, E.","Crystal structure of bis(dimethylammonium) zirconium bis(nitrilotriacetate) tetrahydrate, (CH~3~NH~2~CH~3~)~2~Zr(N(CH~2~COO)~3~)~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","275","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100956","11.69","0.002","7.751","0.002","12.698","0.005","90","","105.72","0.02","90","","1107.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Br N O2 -","- C25 H28 Br N O2 -","- C50 H56 Br2 N2 O4 -","2","1","","Peters, Eva-Maria; Peters, Karl; Walter, Rainer; Stäblein, Manuela; Bringmann, Gerhard","Crystal structure of (1R,3R)-8-benzyloxy-N-benzyl-6-hydroxy-1,3-dimethyl- 1,2,3,4-tetrahydroisoquinoline hydrobromide, C~9~H~6~N(CH~3~)~2~(CH~2~C~6~H~5~) (OH)(OCH~2~C~6~H~5~) · HBr","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","223","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100989","7.1666","0.0004","14.7117","0.001","7.4695","0.0007","90","","92.324","0.006","90","","786.88","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- D2 K O4 P -","- D2 K O4 P -","- D16 K8 O32 P8 -","8","4","","Kim, Shin Ae; Kang, Sung Kwon; Lee, Eun Kwang; Shim, Hae-Seop; Lee, Chang-Hee","Refinement of the crystal structure of potassium dideuterium phosphate, KD~2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","193","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101002","6.3625","0.0001","16.8205","0.0002","15.819","0.0002","90","","92.44","","90","","1691.43","0.04","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 F6 N2 O5 S2 -","- C11 H14 F6 N2 O5 S2 -","- C44 H56 F24 N8 O20 S8 -","4","2","","Yao, Qingwei; Zheng, Chong; Li, Shoujian","Crystal structure of (R,R)-N,N'-(2-oxo-1,3-propanediyl)-N,N'-bis (trifluoromethylsulfonyl)-1,2-cyclohexanediamine, C~11~H~14~F~6~N~2~O~5~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","338","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101043","8.953","0.009","16.135","0.008","9.049","0.004","90","","104.9","0.06","90","","1263","1","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 N O2 S2 -","- C12 H17 N O2 S2 -","- C48 H68 N4 O8 S8 -","4","2","","Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.","Crystal structure of N1-(hexahydro-1λ^6^-thiopyran-1-yliden)- 1-benzenesulfonamide, C~12~H~17~NO~2~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101071","10.686","0.002","8.357","0.002","12.738","0.003","90","","91.27","0.03","90","","1137.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O10 S2 -","- C22 H22 O10 S2 -","- C44 H44 O20 S4 -","2","1","","Ries, A.; Sander, J.; Hegetschweiler, K.","Crystal structure of 2,3-O-ethandiyl-5,6-O-ditosyl-L-ascorbic acid, C~22~H~22~O~10~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","579","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101090","5.183","0.001","16.381","0.003","10.65","0.002","90","","102.43","0.01","90","","883","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Cetina, Mario; Hergold-Brundić, A.; Mrvoš-Sermek, D.; Džolić, Z.; Mintas, M.","Crystal structure of ethyl(1S,2R)-1-benzamido-2-[(S)-2,2-dimethyl- 1,3-dioxolan-4-yl]cyclopropanecarboxylate, C~18~H~23~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","595","596","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101097","9.113","0.001","5.6433","0.0009","12.636","0.002","90","","101.07","0.01","90","","637.8","0.2","","","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 O3 S2 -","- C11 H14 O3 S2 -","- C22 H28 O6 S4 -","2","1","","Zukerman-Schpector, J.; Olivato, Paulo R.; Hui, M.L.T.; Rodrigues, A.","Crystal structure of 4'-methylphenyl-2-ethylsulfonyl thioacetate, C~11~H~14~O~3~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","583","584","","","","","","","","0.0423","","","0.1096","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101107","6.3113","0.0013","24.063","0.005","8.7559","0.0018","90","","99.28","0.03","90","","1312.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H36 N2 O7 S -","- C27 H36 N2 O7 S -","- C54 H72 N4 O14 S2 -","2","1","","Ousmer, Malika; Braun, Norbert A.; Ciufolini, Marco A.; Perrin, Monique","Crystal structure of (1S,3S,6S,7S,8S,9R)-7,9-dihydroxy-6-(4-methoxybenzyl)- 3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo[6.3.1.0 ^1.5^]dodecan-4-one—water (1/1), C~27~H~34~N~2~O~6~S · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","621","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101115","9.75","0.001","7.691","0.001","16.055","0.002","90","","102.99","0.01","90","","1173.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C50 H60 O6 Si2 -","2","1","","Tinant, Bernard; Depré, Dominique; Ghosez, Léon","Crystal structure of (1S,5R,6S,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","641","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101156","7.6031","0.0006","7.5028","0.0002","8.7984","0.0006","90","","92.962","0.006","90","","501.23","0.05","566","2","566","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hydroxyethylammonium L-tartrate monohydrate","","","- C6 H15 N O8 -","- C6 H15 N O8 -","- C12 H30 N2 O16 -","2","1","","Akkurt, M.; Çelik, İ.; Özbey, S.; Kendi, E.","Crystal structure of hydroxyethylammonium L-tartrate monohydrate, C~2~H~8~NO^+^C~4~H~5~O~6~^‒^ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","71","72","","","","","","","","0.0495","","","0.1096","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101174","3.7081","0.0005","9.9879","0.0014","10.4309","0.0014","90","","94.349","0.002","90","","385.21","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C10 H16 N8 O6 -","2","1","","Kristiansson, Olof","Crystal structure of 2,6-diaminopyridinium nitrate, C~5~H~8~N~3~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","138","138","","","","","","","","0.0438","","","0.1032","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101183","12.407","0.002","9.254","0.0012","13.8122","0.0013","90","","104.836","0.01","90","","1533","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H41 N O13 S2 -","- C22 H41 N O13 S2 -","- C44 H82 N2 O26 S4 -","2","1","","Frey, Wolfgang; Zimmermann, Peter Jan; Jäger, Volker","Crystal structure of (2S,3R,4R,5S,1'R,2'S)-3,4-dimethanesulfonyloxy- 2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5- methyl-tetrahydrofuran ethyl acetate, C~18~H~33~NO~11~S~2~ · C~4~H~8~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","127","128","","","","","","","","0.0659","","","0.1595","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101185","10.017","0.002","11.206","0.002","10.461","0.002","90","","116.46","0.01","90","","1051.2","0.3","298","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H20 Cs N5 O13 Zr -","- C13 H20 Cs N5 O13 Zr -","- C26 H40 Cs2 N10 O26 Zr2 -","2","1","","Haussühl, Eiken; Tillmanns, Ekkehart","Crystal structure of cesium guanidinium zirconium bis(nitrilotriacetate) hydrate, Cs(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","103","104","","","","","","","","0.0187","","","0.0476","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101192","5.155","0.001","20.146","0.006","13.494","0.002","90","","93.21","0.02","90","","1399.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O10 -","- C13 H18 N O5 -","- C52 H72 N4 O20 -","4","2","","Henkel, Sonja; Fengler-Veith, Marion; Jäger, Volker","Crystal structure of (+)-(4S,5R,2'R,4'S,5'R,1''S)-5-(2''-acetoxy-1''- benzyloxyethyl)-3-(5'-acetoxy-2'-methyl-1',3'-dioxan-4'-yl)-4-(tert- butoxycarbonylamino)-4,5-dihydroisoxazole, C~26~H~36~N~2~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","133","134","","","","","","","","0.0731","","","0.191","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101200","8.65","0.01","9.49","0.01","30.22","0.01","90","","93.53","0.09","90","","2476","4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 Fe O2 -","- C30 H34 Fe O2 -","- C120 H136 Fe4 O8 -","4","2","","Jones, C. M.; Mocellin, E.; Tiekink, E. R. T.","Crystal structure of 17α-ethynylferrocenyl-17β-hydroxyestr- 4-en-3-one, C~30~H~34~FeO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","89","90","","","","","","","","0.074","","","0.076","","","","","","","","","","","has coordinates","200412","2020-10-21","18:00:00",""
"8101210","16.054","0.002","6.486","0.001","24.04","0.002","90","","97.78","0.01","90","","2480.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 S Si -","- C25 H34 O3 S Si -","- C100 H136 O12 S4 Si4 -","4","2","","Tinant, Bernard; Declercq, Jean-Paul; Mathieu, Benoit; Ghosez, Leon","Crystal structure of [3-(dimethylphenylsilyl)-6,6-dimethylbicyclo [3.1.1]hept-2-yl]methyl-toluene-4-sulfonate, C~25~H~34~O~3~Ssi","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","175","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8101219","10.8049","0.0015","9.0496","0.0015","17.03","0.002","90","","96.956","0.012","90","","1652.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H51 F6 N12 O9 V -","- C18 H51 F6 N12 O9 V -","- C36 H102 F12 N24 O18 V2 -","2","1","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.","Crystal structure of L-argininium hexafluorovanadate trihydrate, (C~6~H~15~N~4~O~2~)~3~VF~6~ · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","178","180","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101252","7.624","0.001","19.709","0.003","10.924","0.002","90","","104.72","0.013","90","","1587.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 N4 O -","- C41 H34 N4 O -","- C82 H68 N8 O2 -","2","1","","Kempe, Rhett; Hillebrand, Gerhard","Crystal structure of 1,1'-binaphthyl-2,2'-di(lepid-2font-ylamine)— methanol (1/1), (C~40~H~30~N~4~) · CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","281","282","","","","","","","","0.0716","","","0.1812","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101275","9.956","0.002","11.208","0.002","10.615","0.002","90","","113.53","0.01","90","","1086","0.4","298","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H22 N5 O14 Rb Zr -","- C13 H22 N5 O14 Rb Zr -","- C26 H44 N10 O28 Rb2 Zr2 -","2","1","","Haussühl, Eiken","Crystal structure of rubidium guanidinium zirconium bis(nitrilotriacetate) dihydrate, Rb(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","373","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101328","5.986","0.001","24.551","0.001","11.574","0.001","90","","100.5","0.01","90","","1672.5","0.3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl O5 -","- C16 H21 Cl O5 -","- C64 H84 Cl4 O20 -","4","2","","Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert","Crystal structure of (2S,4S,5S)-3-chlorobenzoic acid 2-tert-butyl- 5-hydroxy-5-methyl-1,3-dioxan-4-yl ester, C~16~H~21~ClO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","507","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101329","6.241","0.001","10.588","0.001","14.697","0.001","90","","93.95","0.01","90","","968.9","0.2","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1S)-Camphanic acid (2S,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert","Crystal structure of (1'S)-camphanic acid (2S,4S)-2-tert-butyl-4-methyl- 1,3-dioxolan-4-ylmethyl ester, C~19~H~30~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","509","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101330","6.319","0.002","10.43","0.002","14.389","0.002","90","","94.5","0.03","90","","945.4","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1S)-Camphanic acid (2S,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester and (1S)-camphanic acid (2R,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester","","","- C19 H30 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","Wattenbach, Carsten; Rabe, Susanne; Müller, Ulrich; Frauenrath, Herbert","Crystal structure of (1'S)-camphanic acid (2S,4S)- and (2R,4S)-2-tert- butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester mixed crystal, C~19~H~30~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","511","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101358","6.5806","0.0018","7.3726","0.0017","16.681","0.003","90","","91.102","0.018","90","","809.1","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O8 -","- C15 H24 O8 -","- C30 H48 O16 -","2","1","","Kelling, Alexandra; Schilde, Uwe; Sefkow, Michael","Crystal structure of (1R,2R,4S,6R,8S)-2',2'-dimethoxy-8-hydroxyspiro [3,5,10-trioxa-tricyclo[6.2.1.0^2,6^]undecan-4,1'-cyclohexan]-9-one monohydrate, C~15~H~24~O~8~ and of (1R,2R,4R,6R,8S)-2',2'-dimethoxy- 8-hydroxyspiro[3,5,10-trioxa- tricyclo[6.2.1.0^2,6^]undecan-4,1'-cyclohexan]- 9-one, C~15~H~22~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101359","12.2868","0.0008","8.2168","0.0005","14.8921","0.0009","90","","98.571","0.005","90","","1486.69","0.1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O7 -","- C15 H22 O7 -","- C60 H88 O28 -","4","2","","Kelling, Alexandra; Schilde, Uwe; Sefkow, Michael","Crystal structure of (1R,2R,4S,6R,8S)-2',2'-dimethoxy-8-hydroxyspiro [3,5,10-trioxa-tricyclo[6.2.1.0^2,6^]undecan-4,1'-cyclohexan]-9-one monohydrate, C~15~H~24~O~8~ and of (1R,2R,4R,6R,8S)-2',2'-dimethoxy- 8-hydroxyspiro[3,5,10-trioxa- tricyclo[6.2.1.0^2,6^]undecan-4,1'-cyclohexan]- 9-one, C~15~H~22~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101366","9.3672","0.0019","31.897","0.006","10.105","0.002","90","","106.43","0.03","90","","2895.9","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H36 N2 O7 S -","- C29 H36 N2 O7 S -","- C116 H144 N8 O28 S4 -","4","2","","Ousmer, Malika; Braun, Norbert A.; Ciufolini, Marco A.; Perrin, Monique","Crystal structure of (1S,3S,6S,7S,8S,9R)-7-acetoxy-9-hydroxy-6-(4- methoxybenzyl)-3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo [6.3.1.0^1.5^]dodecan-4-one, C~29~H~36~N~2~O~7~S","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","597","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101412","7.9152","0.0008","7.7166","0.0006","10.4111","0.0009","90","","111","","90","","591.68","0.08","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H13 N O9 S -","- C7 H12 N O9 S -","- C14 H24 N2 O18 S2 -","2","1","","Shan, Yongkui; Huang, Songping D.","Crystal structure of L-cysteine L-tartarte monohydrate, C~7~H~15~NO~9~S","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","41","42","","","","","","","","0.0353","","","0.0591","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101438","8.142","0.003","6.611","0.002","16.987","0.004","90","","99.35","0.04","90","","902.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(5R)-menthoxy-3,7-dimethyl-isouric acid * isouric acid is: 5,7-dihydro-3H-purine-2,6,8-trione * menthoxy is: (2'S-isopropyl-5'R-methylcyclohex-(1'R)-yloxy)- * alternative is: (5R)-1-p-Menth-3-yloxy- (cf. Modrić & Poje, Acta Cryst. C46 (1990) 1336-1338.)","","","- C17 H26 N4 O4 -","- C17 H26 N4 O4 -","- C34 H52 N8 O8 -","2","1","","Poje, Nevenka; Poje, Mirko; Vicković, Ivan","Crystal structure of 5R-(2'S-isopropyl-5'R-methylcyclohex-1'R-yloxy)- 3,7-dimethyl-5,7-dihydro-3H-purine-2,6,8-trione, C~17~H~26~N~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","109","110","","","","","","","","0.0433","","","0.0864","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101440","8.46","0.004","9.04","0.005","9.741","0.002","90","","90.75","0.03","90","","744.9","0.6","300","2","300","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Kroke, Edwin; Schwarz, Marcus; Riedel, Ralf; Svoboda, Ingrid; Fuess, Hartmut","Crystal structure of 1,3,5-triazine-2,4,6-tricarbonitrile, C~6~N~6~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","111","112","","","","","","","","0.0434","","","0.0968","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101460","8.269","0.009","6.215","0.009","14.816","0.008","90","","91.85","0.06","90","","761","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Cirilli, Roberto; Gasparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio","Crystal structure of (S)-3-(1-methylethyl)-5-[(1-naphthalenyloxy)methyl]- 2-oxazolidinone, C17H19NO3","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","179","180","","","","","","","","0.044","","","0.1195","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101461","12.373","0.002","7.367","0.002","14.1","0.003","90","","109.26","0.02","90","","1213.3","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina","Crystal structure of bis[R-(+)-1-(1-naphthyl)ethylammonium]squarate, [C12H14N]2C4O4","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","187","188","","","","","","","","0.0386","","","0.1055","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101486","7.035","0.001","11.024","0.002","8.686","0.002","90","","111.89","0.03","90","","625.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C24 H30 N2 O10 -","2","1","","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina","Crystal structure of R-(+)-1-phenylethylammonium hydrogensquarate monohydrate, C12H13NO4 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","191","192","","","","","","","","0.0441","","","0.1161","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101488","5.197","0.001","14.526","0.003","5.659","0.001","90","","117.08","0.01","90","","380.37","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C14 H20 O10 -","2","1","","Frey, Wolfgang; Gracza, Tibor; Hasenöhrl, Thomas; Lieberknecht, Albrecht; Jäger, Volker","Crystal structure of (3aR,5S,6R,6aR)-6-hydroxy-5-hydroxymethyl-perhydrofuro [3,2-b]furan-2-one, C7H10O5","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","259","260","","","","","","","","0.038","","","0.0784","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101494","17.334","0.006","7.814","0.006","24.278","0.006","90","","99.82","0.02","90","","3240.2","2.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 O34 S4 -","- C54 H80 O34 S4 -","- C108 H160 O68 S8 -","2","1","","Saviano, Michele; Iacovino, Rosa; Benedetti, Ettore; Cucinotta, Vincenzo; Grasso, Giulia; Sciotto, Domenico","Crystal structure of 6,6'-ditosyl-α-α'-trehalose‒methanol‒water (1/2/2), C52H68O30S4 · 2CH3OH · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","297","299","","","","","","","","0.0832","","","0.203","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101497","6.812","0.002","31.203","0.007","8.162","0.001","90","","101.93","0.02","90","","1697.4","0.7","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N8 O23 -","- C26 H30 N8 O23 -","- C52 H60 N16 O46 -","2","1","","Kolev, Tsonko; Glavcheva, Zornitza; Stahl, Rainer; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina","Crystal structure of L-canavanine hydrogensquarate semihydrate, C26H34N8O23","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","193","194","","","","","","","","0.0733","","","0.1053","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101499","7.017","0.002","6.989","0.001","9.648","0.002","90","","93.26","0.02","90","","472.4","0.2","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","10,11-didehydroquincorine","","","- C10 H15 N O -","- C10 H15 N O -","- C20 H30 N2 O2 -","2","1","","Wartchow, R.; Schrake, O.; Braje, W. M.; Hoffmann, H.M.R.","Crystal structure of (1S,2S,4S,5R)-2-hydroxymethyl-5-ethynyl-1-azabicyclo [2.2.2]octane, (HOCH2)(HC2)(C7H11N)","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","285","286","","","","","","","","0.0341","","","0.039","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101505","7.98","0.002","23.42","0.005","10.789","0.002","90","","91.52","0.03","90","","2015.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","cesium sulfanilate hydrate","","","- C6 H8 Cs N O4 S -","- C6 H8 Cs N O4 S -","- C48 H64 Cs8 N8 O32 S8 -","8","4","","Schreuer, Jürgen","Crystal structure of cesium sulfanilate hydrate, CsH2NC6H4SO3 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","293","294","","","","","","","","0.0278","","","0.0653","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101518","9.941","0.002","11.209","0.002","10.639","0.002","90","","114.38","0.01","90","","1079.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H22 N5 O14 Tl Zr -","- C13 H22 N5 O14 Tl Zr -","- C26 H44 N10 O28 Tl2 Zr2 -","2","1","","Haussühl, Eiken; Giester, Gerald; Tillmanns, Ekkehart","Crystal structure of thallium guanidinium zirconium bis(nitrilotriacetate) dihydrate, Tl(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · 2 H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","375","376","","","","","","","","0.0256","","","0.0623","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101521","10.1958","0.0006","22.01","0.001","15.0067","0.0009","90","","108.843","0.001","90","","3187.2","0.3","296.7","","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H84 N6 O24 P6 -","- C48 H72 N6 O24 P6 -","- C96 H144 N12 O48 P12 -","2","1","","Shan, Yongkui; Huang, Songping D.","Crystal structure of R-(+)-1-phenylethylammonium dihydrogenphosphate, C~48~H~84~N~6~O~24~P~6~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","391","393","","","","","","","","0.0534","","","0.0636","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101542","5.4166","0.0005","8.2886","0.0008","12.339","0.001","90","","92.18","0.01","90","","553.57","0.09","","","291","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F O4 S -","- C10 H11 F O4 S -","- C20 H22 F2 O8 S2 -","2","1","","Zukerman-Schpector, J.; Olivato, Paulo R.; Yreijo, Marcelo H.","Crystal structure of 2'-fluorophenyl-2-ethylsulfonyl acetate, C~10~H~11~FO~4~S","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","365","366","","","","","","","","0.0375","","","0.088","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101572","8.403","0.001","17.024","0.002","9.406","0.002","90","","100.805","0.009","90","","1321.7","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H40 Li N3 O -","- C29 H40 Li N3 O -","- C58 H80 Li2 N6 O2 -","2","1","","Ledig, Burkhard; Marsch, Michael; Harms, Klaus; Boche, Gernot","Crystal structure of (1-cyano-indenyl-N-((-)spateine-N,N')-(tetrafuran-O)-lithium, C~29~H~40~LiN~3~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","511","512","10.1515/ncrs-1999-0456","","","","","","","0.043","","","0.1127","","","","","","","","","","","has coordinates","180612","2020-10-21","18:00:00",""
"8101587","7.6","0.001","9.184","0.001","7.9","0.001","90","","112.46","0.01","90","","509.58","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C12 H32 Cl4 N4 O6 -","2","1","","Henkel, Sonja; Kieß, Frank-Michael; Jäger, Volker","Crystal structure of 5-amino-1,4,5-trideoxy-1,4-imino-L-mannitol bis (hydrochloride), C~6~H~16~Cl~2~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","569","570","","","","","","","","0.0263","","","0.0666","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101595","9.405","0.003","14.531","0.003","10.578","0.004","90","","110.24","0.03","90","","1356.4","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O P2 -","- C30 H32 N2 O P2 -","- C60 H64 N4 O2 P4 -","2","1","","Robert, Frédéric; Gimbert, Yves; Averbuch, Marie-Thérèse; Durif, André; Greene, Andrew","Crystal structure of (S)-1-[bis(diphenylphosphino)amino]-2-(methoxymethyl) pyrrolidine, C~30~H~32~N~2~OP~2~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","581","582","10.1515/ncrs-1999-0490","","","","","","","0.0409","","","0.0287","","","","","","","","","","","has coordinates","209651","2020-10-21","18:00:00",""
"8101697","7.914","0.0001","16.509","0.0003","10.522","0.0002","90","","92.484","0.0012","90","","1373.43","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(2-hydroxy-i-valeryl-isoleucyl-2-hydroxy-i-valeryl-alanyl-threonyl) dihydrate","","- C23 H43 N3 O10 -","- C23 H43 N3 O10 -","- C46 H86 N6 O20 -","2","1","","A. Jegorov; V. Havlícek; M. Husák; B. Kratochvíl; I. Císarová; J. Satke; M. Zabka","Crystal structure of cyclo(2-hydroxy-i-valeryl-isoleucyl-2-hydroxy- i-valeryl-alanyl-threonyl) dihydrate, C~23~H~39~N~3~O~8~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","113","115","","","","0.71073","MoKα","","0.0296","0.0252","","0.0327","0.0279","0.0279","","","","","","1.1408","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101703","8.181","0.001","11.604","0.002","10.193","0.001","90","","101.59","0.01","90","","947.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (3aR,4R,5R,6R,7aR)-4,5-diacetoxy-6-acetoxymethyl- 2-oxy-3a,5,6,7a-tetrahydro-4H-pyrano[3,2-d]isoxazole-3-carboxylate","","- C16 H21 N O11 -","- C16 H21 N O11 -","- C32 H42 N2 O22 -","2","1","","K. Peters; E.-M. Peters; B. G. Kim; T. Linker","Crystal structure of ethyl (3aR,4R,5R,6R,7aR)-4,5-diacetoxy-6-acetoxymethyl- 2-oxy-3a,5,6,7a-tetrahydro-4H-pyrano[3,2-d]isoxazole-3-carboxylate, C~16~H~21~NO~11~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","21","22","","","","0.71073","MoKα","","0.0716","0.068","","","0.1721","0.177","","","","","","1.192","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101704","9.8202","0.0003","8.4511","0.0004","18.0106","0.0007","90","","96.528","0.002","90","","1485.04","0.1","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","17-(cyclopropylmethyl)-6,7-didehydro-4,5α-epoxy-3-hydroxy-14β-(3- phenylpropyloxy)indolo[2,3:6,7]morphinan hydroiodide","","- C35 H37 I N2 O3 -","- C35 H37 I N2 O3 -","- C70 H74 I2 N4 O6 -","2","1","","F. Schüllner; G. Laus; K. Wurst; H. Schmidhammer","Crystal structure of 17-(cyclopropylmethyl)-6,7-didehydro-4,5α- epoxy-3-hydroxy-14β-(3-phenylpropyloxy)indolo[2,3:6,7]morphinan hydroiodide, (C~35~H~37~N~2~O~3~)I","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","77","78","","","","0.71073","MoKα","","0.0337","0.0304","","","0.0659","0.068","","","","","","1.078","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101769","10.369","0.002","27.528","0.006","10.815","0.002","90","","107.98","0.03","90","","2936.3","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","isocalamendiol","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","4","","D. Ruiz-León; P. Rivera; I. Brito; M. Rodríguez; V. Manríquez","Crystal structure of isocalamendiol, C~15~H~26~O~2~, from Baccharis marginalis","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","355","357","","","","0.71073","MoKα","","0.1568","0.0413","","","0.0807","0.1052","","","","","","0.978","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101781","6.806","0.0002","16.7719","0.0006","6.813","0.0002","90","","106.621","0.001","90","","745.21","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D-2-deoxy-2-fluoro-chiro-inositol","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C24 H44 F4 O20 -","4","2","","H. Reinke; T. Pundt; R. Miethchen","Crystal structure of D-2-deoxy-2-fluoro-chiro-inositol, C~6~H~11~FO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","287","288","","","","0.71073","MoKα","","0.0351","0.0302","","","0.0641","0.0649","","","","","","0.994","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101794","3.9221","0.0011","5.7229","0.0017","17.208","0.005","90","","95.447","0.006","90","","384.5","0.19","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-bromochromone","6-bromochromone","","- C9 H5 Br O2 -","- C9 H5 Br O2 -","- C18 H10 Br2 O4 -","2","1","","R. J. Staples; W. Lea","Crystal structure of 6-bromochromone, C~9~H~5~BrO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","371","372","","","x-ray","0.71073","MoKα","","0.0398","0.038","","","0.1043","0.1059","","","","","","1.026","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101811","9.6786","0.0016","13.663","0.002","15.348","0.002","90","","106.233","0.005","90","","1948.7","0.5","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-4-benzyl-4-methyl-2,6-diphenyl-4H-thiopyran-1-oxide","","- C25 H22 O S -","- C25 H22 O S -","- C100 H88 O4 S4 -","4","2","","F. Jafarpour; H. Pirelahi","Crystal structures of cis- and trans-4-benzyl-4-methyl-2,6-diphenyl- 4H-thiopyran-1-oxide, C~25~H~22~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","420","424","","","","0.71073","MoKα","","0.0546","0.0472","","","0.1139","0.1191","","","","","","0.995","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101848","8.974","0.002","5.933","0.001","8.994","0.002","90","","96.29","0.03","90","","475.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C20 H32 O4 -","2","1","","Torres, R.; Faini, F.; Rodilla, J. M. L.; Silva, L. A.; Sanz, F.","Crystal structure of taedol, C~10~H~16~O~2~, from Haplopappus taeda","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","537","538","","","","1.5418","CuKα","","0.0666","0.0517","","","0.131","0.1475","","","","","","0.968","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101883","14.325","0.003","11.85","0.002","19.459","0.004","90","","102.978","0.005","90","","3218.8","1.1","173","","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3S,4'S,6'S-2-benzyl-3-[(tert-butyldimethylsiloxy)-(2',2'-dimethyl-1,3-dioxolan- 4'-yl)-6'-methyl]-4-[2-(trimethylsilyl)ethoxy]-3.6-dihydro-2H-1,2-oxazine","","- C28 H49 N O5 Si2 -","- C28 H49 N O5 Si2 -","- C112 H196 N4 O20 Si8 -","4","2","","Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 3S,4'S,6'S-2-benzyl-3-[(tert-butyl-dimethyl-siloxy)- (2',2'-dimethyl-1,3-dioxolan-4'-yl)-6'-methyl]-4-[2-(trimethylsilyl) ethoxy]-3.6-dihydro-2H-1,2-oxazine, C~28~H~49~NO~5~Si~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","12","14","","","","0.71073","MoKα","","0.0946","0.0456","","","0.088","0.103","","","","","","0.884","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101884","10.5288","0.0018","8.1518","0.0014","16.554","0.003","90","","98.015","0.004","90","","1406.9","0.4","173","","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3S,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)-7-(tert- butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan-4-ol","","- C22 H49 N O5 Si2 -","- C22 H49 N O5 Si2 -","- C44 H98 N2 O10 Si4 -","2","1","","Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 3R,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)- 7-(tert-butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan- 4-ol, C~22~H~49~NO~5~Si~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","131","132","","","","0.71073","MoKα","","0.086","0.0664","","","0.1696","0.1879","","","","","","1.032","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101924","8.669","0.003","22.88","0.005","10.22","0.003","90","","96.04","0.02","90","","2015.9","1","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(diphenyl)methyl-N-(3',3'-dimethyl-2'-oxo)butyl-2(R),3(R)-epoxybutyramide","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","2","","Tinant, B.; Laurent, M.; Marchand-Brynaert, J.","Crystal structure of N-(diphenyl)methyl-N-(3',3'-dimethyl-2'-oxo)butyl- 2(R),3(R)-epoxybutyramide, C~23~H~27~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","68","70","","","","0.71069","MoKα","","0.0407","0.0394","","","0.1046","0.1058","","","","","","1.051","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101929","6.081","0.003","7.838","0.003","22.6","0.01","90","","92.127","0.007","90","","1076.4","0.8","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","kakkalidone","","- C23 H24 O11 -","- C23 H24 O11 -","- C46 H48 O22 -","2","1","","Zhang, X.-Q.; Zhang, Z.-T.; Zhang, X.-L.","Crystal structure of kakkalidone, C~23~H~24~O~11~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","80","82","","","","0.71073","MoKα","","0.1265","0.0722","","","0.1844","0.2258","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"8101943","6.4436","0.0008","16.4383","0.0019","15.3404","0.0018","90","","98.536","0.002","90","","1606.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1-(1-adamantyl)ethyl)iminomethyl)phenol","","- C19 H25 N O -","- C19 H25 N O -","- C76 H100 N4 O4 -","4","2","","Shi, X.; Lü, Z.-X.; Zhao, G.-L.","Crystal structure of 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol, C~19~H~25~NO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","145","147","","","","0.71073","MoKα","","","0.0793","","","0.1613","0.1722","","","","","","1.118","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101969","10.053","0.003","9.859","0.003","10.202","0.003","90","","96.087","0.006","90","","1005.4","0.5","173","","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,6S,4'S)-2-benzyl-3-(2',2'-dimethyl[1',3']dioxolan-4'-yl)-4-methoxy- 6-phenyl-3,6-dihydro-2H-1,2-oxazine","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Chowdhury, M. A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (3R,6S,4'S)-2-benzyl-3-(2',2'-dimethyl-[1',3'] dioxolan-4'-yl)-4-methoxy-6-phenyl-3,6-dihydro-2H-1,2-oxazine, C~23~H~27~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","213","214","","","","0.71073","MoKα","","0.0631","0.0541","","","0.1331","0.1383","","","","","","0.994","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102077","7.9492","0.0009","7.8317","0.0009","9.632","0.001","90","","98.275","0.008","90","","593.4","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-chloro-2-(choromethyl)-5-(1-hidroxy-isopropyl)-ciclohexane-1-ol","","- C10 H18 Cl2 O2 -","- C10 H18 Cl2 O2 -","- C20 H36 Cl4 O4 -","2","1","","Zukerman-Schpector, J.; Coelho, D. C. S.; Tanaka, C. M. A.; Marsaioli, A. J.","Crystal structure of 2-chloro-2-(chloromethyl)-5-(1-hydroxy-isopropyl)- cyclohexane-1-ol, C~10~H~18~Cl~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","537","538","","","","0.71073","MoKα","","0.0642","0.0407","","","0.1049","0.1274","","","","","","1.075","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102120","12.722","0.003","15.248","0.003","12.818","0.003","90","","115.8","0.03","90","","2238.6","1","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(η^4^-cyclo-octa-1,5-dien)-N-(2-(diphenylphosphinooxy)-3-(naphthalen-1- yloxy)propyl)-N-(pentan-3-yl)-1,1-diphenylphosphinamine-rhodium(I) tetrafluoroborate","","- C50 H55 B F4 N O2 P2 Rh -","- C50 H55 B F4 N O2 P2 Rh -","- C100 H110 B2 F8 N2 O4 P4 Rh2 -","2","1","","Dai, Z.; Heller, D.; Preetz, A.; Drexler, H.-J.","Crystal structure of (h^4^-cycloocta-1,5-dien)-N-(2-(diphenylphosphinooxy)- 3-(naphthalen-1-yloxy)propyl)-N-(pentan-3-yl)-1,1-diphenylphosphinamine- rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~42~H~43~NO~2~P~2~)] [BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","111","113","","","","0.71073","MoKα","","0.0423","0.0362","","","0.0774","0.079","","","","","","1.093","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102175","9.0983","0.0007","10.838","0.0009","9.3763","0.0006","90","","103.321","0.005","90","","899.7","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,4R)-1-tert-butoxycarbonyl-3-hydroxy-2-(2'-methyl-allyl)-4-methylproline methyl ester","","- C16 H27 N O5 -","- C16 H27 N O5 -","- C32 H54 N2 O10 -","2","1","","Frey, Wolfgang; Li, Feng; Jäger, Volker","Crystal structure of (2S,3R,4R)-1-tert-butoxycarbonyl-3-hydroxy-2- (2'-methylallyl)-4-methylproline methyl ester, C~16~H~27~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","357","358","","","","1.54178","CuKα","","0.0744","0.0562","","","0.1402","0.1635","","","","","","1.01","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102223","9.897","0.002","15.461","0.004","10.407","0.002","90","","99.292","0.003","90","","1571.6","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","tris(ethylenediamine)nickel(II) diperchlorate 2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide solvate monohydrate","","- C18 H42 Cl2 N9 Ni O11 -","- C18 H42 Cl2 N9 Ni O11 -","- C36 H84 Cl4 N18 Ni2 O22 -","2","1","","Wang, Yu-Fang; Liu, Yuan-Ying","Crystal structure of tris(ethylenediamine)nickel(II) diperchlorate 2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide solvate monohydrate, [Ni(C~2~H~8~N~2~)~3~][ClO~4~]~2~ · C~12~H~16~N~3~O~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","439","441","","","","0.71073","MoKα","","0.0933","0.0728","","","0.1819","0.2037","","","","","","0.995","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102251","7.6092","0.0015","16.18","0.003","13.131","0.003","90","","102.22","0.03","90","","1580","0.6","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H42 O18 -","- C31 H42 O18 -","- C62 H84 O36 -","2","1","","Benguo Liu; Chungang Chen; Ruixiang Zhao; Gang Li; Yan Zhang","Crystal structure of 4,5-dihydroxy-6-(7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yloxy)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)methylacetate methanol solvate monohydrate, C29H32O15 · 2CH3OH · H2O, a Camellianin A","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","121","","","","","0.71073","MoKα","","0.0286","0.0268","","","0.0653","0.0663","","","","","","1.017","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102289","8.1953","0.0018","8.6724","0.0019","8.4792","0.0013","90","","101.021","0.014","90","","591.5","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-di-O-acetyl-5,6-dideoxy-a-D-lyxo-5-hexenofuranose","","- C10 H14 O6 -","- C10 H14 O6 -","- C20 H28 O12 -","2","1","","Wolfgang Frey; Robert Sardzik; Volker Jäger","Crystal structure of 2,3-di-O-acetyl-5,6-dideoxy-α-D-lyxo-5-hexenofuranose, C10H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","253","","","","","0.71073","MoKα","","0.0683","0.0509","","","0.1231","0.131","","","","","","1.11","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102290","7.718","0.002","9.419","0.003","10.7547","0.0019","90","","104.733","0.018","90","","756.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methyl 3-O-acetyl-2-acetylamino-2,6-dideoxy-6-iodo-a-D-glucopyranoside","","- C11 H18 I N O6 -","- C11 H18 I N O6 -","- C22 H36 I2 N2 O12 -","2","1","","Wolfgang Frey; Robert Sardzik; Volker Jäger","Crystal structure of methyl 3-O-acetyl-2-acetylamino-2,6-dideoxy-6-iodo-α-D-glucopyranoside, C11H18INO6","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","255","","","","","0.71073","MoKα","","0.0638","0.0569","","","0.1515","0.1576","","","","","","1.054","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102314","6.4015","0.0003","4.837","0.0002","11.7979","0.0006","90","","93.248","0.003","90","","364.72","0.03","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H4 N2 O7 -","- C6 H4 N2 O7 -","- C12 H8 N4 O14 -","2","1","","Thomas Schweitzer; Daphne Taylor; Gregory Choppin; Christian Neis; Kaspar Hegetschweiler","Crystal structure of 2,4-dinitro-1,3,5-benzenetriol, C6H4N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","369","","","","","0.71073","MoKα","","0.0224","0.0221","","","0.0603","0.0606","","","","","","1.074","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102323","13.181","0.003","5.2991","0.0011","14.829","0.003","90","","110.115","0.007","90","","972.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Han-Wen Liu; Dong-Liang Xu; Zi-Long Tang; Liang-Cai Yu; Feng-Jiao Tan","Crystal structure of N-benzyloxycarbonyl-L-phenylalanine 3-methylphenyl ester, C24H23NO4","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","405","","","","","0.71073","MoKα","","0.0514","0.0383","","","0.0907","0.0982","","","","","","1.052","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102380","9.4749","0.0011","7.1064","0.0005","15.0482","0.0018","90","","101.234","0.009","90","","993.82","0.18","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 3,4-di-O-benzyl-2-deoxy- 2-C-nitromethyl-α-D-arabinosepyranoside","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C42 H50 N2 O12 -","2","1","","Elangovan Elamparuthi; Torsten Linker; Alexandra Kelling; Uwe Schilde","Crystal structure of methyl 3,4-di-O-benzyl-2-deoxy-2-C-nitromethyl-α-D-arabinopyranoside, C21H25NO6","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","65","","","","","0.71073","MoKα","","0.0377","0.0323","","","0.0805","0.0827","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102388","14.169","0.007","8.533","0.004","19.863","0.011","90","","104.787","0.015","90","","2322","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Erysodine","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C108 H126 N6 O18 -","6","3","","Patricio Iturriaga-Vasquez; Olimpo Garcia-Beltran; Mairi F. Haddow","Crystal structure of (2R,13bS)-2,6,8,9-tetrahydro-2,12-dimethoxy-1H-indolo[1-a]isoquinolin-11-ol, C18H21NO3, Erysodine","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","76","","","","","0.71073","MoKα","","0.0571","0.0454","","","0.1281","0.1635","","","","","","1.148","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102416","8.859","0.003","14.07","0.005","12.344","0.004","90","","103.62","0.02","90","","1495.4","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","2","","Bernard Tinant; Allan Urbach; Jacqueline Marchand-Brynaert","Crystal structure of (10R,11S,13R)-10-(methyl)-8,12-dioxo-13-(propyl)-9-oxa-1-aza-bicyclo[9.1.1]-tridecane, C15H25NO3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","137","","","","","0.71069","MoKα","","0.0368","0.0339","","","0.0844","0.0873","","","","","","1.075","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102516","11.816","0.0002","5.598","0.0001","24.4572","0.0003","90","","97.619","0.001","90","","1603.46","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-Ethyl-3-[(E)-2-(thiophen-2-yl)vinyl]-9H-carbazole","","- C20 H17 N S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","2","","Guohui Zhang; Yunlong Deng; Duxia Cao; Zhiqiang Liu","Crystal structure of 9-ethyl-3-[(E)-2-(thiophen-2-yl)vinyl]-9H-carbazole, C20H17NS","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","525","","","","","0.71073","MoKα","","0.0806","0.0568","","","0.1561","0.1757","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102525","5.5894","0.0002","6.0558","0.0003","6.9321","0.0003","90","","105.926","0.002","90","","225.634","0.017","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dicoppertrihydroxyformate Cu~2~(OH)~3~COOH","","- C H4 Cu2 O5 -","- C H4 Cu2 O5 -","- C2 H8 Cu4 O10 -","2","1","","Harald Euler; Bruno Barbier; Armin Kirfel; Stefanie Haseloff; Gerhard Eggert","Crystal structure of trihydroxydicopper formate, Cu2(OH)3(HCOO)","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","609","","10.1524/ncrs.2009.0268","","","0.71073","MoKα","","0.0531","0.038","","","0.109","0.1211","","","","","","1.086","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102587","6.285","0.003","8.01","0.004","9.19","0.005","90","","108.411","0.007","90","","439","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(s)-2-(2-oxopyrrolidin-1-yl)butanoic acid, C~8~H~13~NO~3~","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Yin-Qiu Liu; Yan Sui; Xiao-Niu Fang; Ren-Yun Kuang; Qiu-Yan Luo; Ya-Ping Xu","Crystal structure of (S)-2-(2-oxopyrrolidin-1-yl)butanoic acid, C8H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","709","","","","","0.71073","MoKα","","0.0476","0.046","","","0.1303","0.1318","","","","","","1.003","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102601","12.115","0.002","13.496","0.002","12.524","0.002","90","","96.008","0.002","90","","2036.5","0.6","273.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H43 N3 Ni O6 -","- C45 H42 N3 Ni O6 -","- C90 H84 N6 Ni2 O12 -","2","1","","Keiko Miyamoto; Tomoko Yajima; Ernst Horn; Yutaka Fukuda","Crystal structure of ethanolato-dibenzoylmethanato-(R,R-dibenzoylstilbenediamine)-nitratonickel(II), Ni(C2H5OH)(C15H11O2)(C28H26N2)(NO3)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","161","","","","","0.7107","MoKα","","","0.0623","","","","0.0628","","","","","","0.264","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102688","10.882","0.003","5.4217","0.0016","13.168","0.003","90","","109.8","0.02","90","","731","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3-O-Cyclohexylidene-D-glyceraldehyde N-benzylnitrone, C~16~H~21~NO~3~","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","","Wolfgang Frey; Alevtina Baskakova; Andreas Menzel; Volker Jäger","Crystal structure of 2,3-O-cyclohexylidene-D-glyceraldehyde N-benzylnitrone, C16H21NO3","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","245","","","","","0.71073","MoKα","","0.083","0.0616","","","0.1513","0.1616","","","","","","1.063","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102697","11.2785","0.0008","6.4429","0.0003","11.8901","0.0008","90","","109.068","0.008","90","","816.6","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide methanol solvate","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C32 H38 N6 O8 -","2","1","","Heng-Yu Qian; Zhen-Xin Zhao; Chun-Xia Zhan; Zhi-Gang Yin","Crystal structure of N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide — methanol (1:1), C15H15N3O3 · CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","383","","","","","0.71073","MoKα","","0.0747","0.0364","","","0.0596","0.0643","","","","","","0.761","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102718","8.4239","0.0004","16.9458","0.0006","8.8568","0.0004","90","","105.48","0.001","90","","1218.44","0.09","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 O10 S -","- C26 H24 O10 S -","- C52 H48 O20 S2 -","2","1","","Pitiporn Chimsook; Thapong Teerawatananond; Nattaya Ngamrojanavanich; Nongnuj Muangsin","Crystal structure of 12a-hydroxy-2,3,9-trimethoxy-12-oxo-6,6a,12,12a-tetrahydrochromeno[3,4-b]chromen-11-yl 4-methylbenzenesulfonate, C26H24O10S","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","374","","","","","0.71073","MoKα","","","0.0367","","","","0.1002","","","","","","1.033","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102778","11.8905","0.0019","10.7932","0.0017","13.463","0.002","90","","106.063","0.002","90","","1660.3","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","manganese(II) complex bearing nitronyl nitroxide radicals'","","- C30 H38 Cl2 Mn N8 O4 -","- C30 H38 Cl2 Mn N8 O4 -","- C60 H76 Cl4 Mn2 N16 O8 -","2","1","","Tian-You Yang; Zhou-Qin Wang; Xian-Fang Zhao; Jing Tian","Crystal structure of bis(2-{2'-[(l'-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)manganese(II) dichloride, Mn(C15H19N4O2)2Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","521","","","","","0.71073","MoKα","","0.058","0.0418","","","0.0808","0.0893","","","","","","1.007","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102887","6.471","0.002","6.645","0.002","8.623","0.003","90","","107.992","0.005","90","","352.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","potassium terbium(III) tetrasulfidogermanate","","- Ge K S4 Tb -","- Ge K S4 Tb -","- Ge2 K2 S8 Tb2 -","2","1","","B. C. Chan; P. K. Dorhout","Crystal structures of potassium terbium(III) tetrasulfidogermanate, KTbGeS~4~, and potassium praseodymium(III) tetraselenidogermanat, KPrGeSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","7","8","","","","0.71073","MoKα","","0.0368","0.035","","","0.0853","0.0858","","","","","","1.058","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102888","6.828","0.0008","7.0105","0.0008","8.9868","0.001","90","","108.157","0.002","90","","408.76","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","potassium praseodymium(III) tetraselenidogermanate","","- Ge K Pr Se4 -","- Ge K Pr Se4 -","- Ge2 K2 Pr2 Se8 -","2","1","","B. C. Chan; P. K. Dorhout","Crystal structures of potassium terbium(III) tetrasulfidogermanate, KTbGeS~4~, and potassium praseodymium(III) tetraselenidogermanat, KPrGeSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","7","8","","","","0.71073","MoKα","","0.0381","0.0371","","","0.0893","0.0898","","","","","","1.11","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102900","6.316","0.005","6.557","0.005","8.571","0.007","90","","108.088","0.012","90","","337.4","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","potassium ytterbium tetrathiosilicate(IV)","","- K S4 Si Yb -","- K S4 Si Yb -","- K2 S8 Si2 Yb2 -","2","1","","A. K. Gray; J. M. Knaust; B. C. Chan; L. A. Polyakova; P. K. Dorhout","Crystal structure of potassium ytterbium(III) tetrathiosilicate, KYbSiS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","293","293","","","","0.71073","MoKα","","0.0273","0.0254","","","0.0588","0.0594","","","","","","1.044","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103074","10.174","0.002","19.018","0.004","12.037","0.002","90","","113.742","0.003","90","","2131.9","0.7","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H30 Dy F9 N2 O6 S3 -","- C41 H30 Dy F9 N2 O6 S3 -","- C82 H60 Dy2 F18 N4 O12 S6 -","2","1","","Xi-Li Li; Xiang-Li Feng","Crystal structure of [(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8-tetrahydro-5,7-methanoisoquinoline]-tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]dysprosium(III), Dy(C17H18N2)(C8H4O2SF3)3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","40","","","","","0.71073","MoKα","","0.0677","0.0544","","","0.1184","0.1219","","","","","","1.091","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103078","9.4966","0.00017","9.79355","0.00018","12.8341","0.0009","90","","98.698","0.007","90","","1179.91","0.09","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose","","- C27 H30 O5 -","- C27 H30 O5 -","- C54 H60 O10 -","2","1","","Bogdan Doboszewski; Flávia de Toni Uchôa; Alexander Y. Nazarenko; Victor N. Nemykin","Crystal structure of 1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose, C27H30O5","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","61","","","","","1.54178","CuKα","","0.0604","0.0409","","","0.0919","0.119","","","","","","1.152","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103081","9.0513","0.001","9.5851","0.0012","9.153","0.0011","90","","114.466","0.001","90","","722.79","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzamide","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C26 H30 N6 O4 S2 -","2","1","","Ling-Dong Wang; Cheng-Tao Feng; Jian Liu; Yu-Gang Yan; Shao-Hua Li","Crystal structure of N-(2-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzamide, C13H15N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","45","","","","","0.71073","MoKα","","0.0661","0.0395","","","0.0465","0.0503","","","","","","1.017","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103117","9.504","0.002","20.748","0.005","12.704","0.003","90","","92.432","0.004","90","","2502.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(dibenzoylmethanato) -[(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8- tetrahydro-5,7-methanoisoquinoline)]gadolinium(III)","","- C62 H51 Gd N2 O6 -","- C62 H51 Gd N2 O6 -","- C124 H102 Gd2 N4 O12 -","2","1","","Xi-Li Li; Xiaoxia Niu","Crystal structure of tris(dibenzoylmethanato)-[(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8-tetrahydro-5,7-methanoisoquinoline)]gadolinium(III), Gd(C15H11O2)3(C17H18N2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","347","","","","","0.71073","MoKα","","0.0603","0.0517","","","0.1158","0.1179","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103136","6.7733","0.0005","14.662","0.0012","11.4365","0.0009","90","","95.77","0.003","90","","1130.01","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O7 -","- C24 H30 O7 -","- C48 H60 O14 -","2","1","","Jing-Jie Zhang; Qi-Ji Li; Qi-Long Zhang; Lu-Tai Pan","Refinement of the crystal structure of 3,20-epoxy-6b,15b-diacetoxy-ent-kaurene-1,7-dione, C24H30O7","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","305","","","","","0.71073","MoKα","","0.0554","0.0397","","","0.0935","0.1017","","","","","","1.036","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103153","5.442","0.002","14.935","0.005","6.931","0.002","90","","99.016","0.008","90","","556.4","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Acridinium chloride monohydrate","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C26 H24 Cl2 N2 O2 -","2","1","","Kwang Ha","Crystal structure of acridinium chloride monohydrate, [C13H10N]Cl · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","321","","","","","0.71073","MoKα","","0.1098","0.0567","","","0.0956","0.1312","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103227","3.8818","0.0005","5.6515","0.0007","15.2037","0.0019","90","","93.176","0.001","90","","333.03","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-chloro-2-hydroxybenzaldehyde","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Shouwen Jin; Feng Lin; Yuanqi Yu; Haidong He","Crystal structure of 5-chloro-2-hydroxybenzaldehyde, C7H5ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","601","","","","","0.71073","MoKα","","0.067","0.0496","","","0.1216","0.131","","","","","","1.072","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103275","9.101","0.002","9.559","0.002","21.03","0.005","90","","93.879","0.003","90","","1825.3","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O12 -","- C38 H52 N2 O12 -","- C76 H104 N4 O24 -","2","1","","Xiao-Ling Wang; Bing-Rui Liu","Crystal structure of 1,1'-disinomenine tetrahydrate, C38H44N2O8 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","93","","","","","0.71073","MoKα","","0.0474","0.0385","","","0.0846","0.0889","","","","","","1.002","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103294","7.7699","0.0015","5.7057","0.0011","12.719","0.002","90","","101.316","0.003","90","","552.91","0.17","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C22 H28 O10 -","2","1","","Peng Liu; Hai-Bo Wang; Ping-An Wang; Xue-Ying Liu; Xiang-Yang Qin","Crystal structure of (2R,3S)-methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate, C11H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","27","","","","","0.71073","MoKα","","0.0262","0.0259","","","0.0696","0.0699","","","","","","1.037","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103326","10.1377","0.0002","21.345","0.0003","13.2198","0.0003","90","","106.555","0.0007","90","","2742.05","0.09","193","","193","2","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C50 H89 Na O17 -","- C50 H89 Na O17 -","- C100 H178 Na2 O34 -","2","1","","Viktors Kumpinš; Sergey Belyakov; Erika Bizdena; Maris Turks","Crystal structure of methanolsodium dianemycin — methanol (1:2), Na(C47H77O14)(CH4O) · 2CH4O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","145","","","","","0.71073","MoKα","","0.0701","0.0584","","","0.1549","0.1657","","","","","","1.053","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103332","6.5367","0.0004","7.4475","0.0005","11.7459","0.0007","90","","90.288","0.005","90","","571.81","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C26 H22 N2 O6 -","2","1","","Min-Dong Chen; Bo Xiao; Xuan Gong","Crystal structure of N-propynoyl-(5R)-5-phenylmorpholin-2-one, C13H11NO3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","103","","","","","0.71073","MoKα","","0.0259","0.024","","","0.0592","0.0607","","","","","","1.028","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103379","8.5059","0.0014","6.0803","0.001","15.417","0.003","90","","99.745","0.002","90","","785.8","0.2","296","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((benzhydrylimino)methyl)phenol","2-((benzhydrylimino)methyl)phenol","","- C20 H17 N O -","- C20 H17 N O -","- C40 H34 N2 O2 -","2","1","","Xiu-Guang Yi; Lu-Ping Zhong; Li-Qun Yan; Yun-Ling Hu; Zheng-Da Zou","Crystal structure of 2-((benzhydrylimino)methyl)phenol, C20H17NO","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","249","","","","","0.71073","MoKα","","0.0537","0.0446","","","0.1123","0.1273","","","","","","1.008","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103442","6.711","","11.618","","7.686","","90","","115.166","","90","","542.383","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na5 (B2 P3 O13)","","- B2 Na5 O13 P3 -","- B2 Na5 O13 P3 -","- B4 Na10 O26 P6 -","2","1","","Friedrich, T.; Hauf, C.; Kniep, R.","Crystal structure of pentasodium catena-(diborato-triphosphate), Na5 (B2 P3 O13)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","446","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103562","10.691","","10.646","","7.223","","90","","134.4","","90","","587.365","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(N H4)2 (B4 O5 (O H)4) (H2 O)2","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Janda, R.; Pickardt, J.; Heller, G.","Die Kristallstruktur von synthetischem Ammoniumtetraborate Dihydrat, (N H4)2 (B4 O5 (O H)4) (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1981","154","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","187550","2020-10-21","18:00:00",""
"8103592","8.2778","","9.7201","","4.9421","","90","","92.13","","90","","397.372","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Cu (P O4)","","- Cu K O4 P -","- Cu K O4 P -","- Cu4 K4 O16 P4 -","4","2","","Shoemaker, G.L.; Kostiner, E.; Anderson, J.B.","The structure of potassium copper(II) phosphate K Cu P O4, an example of a three-dimensional network","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","317","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103760","9.7206","","7.1617","","11.0909","","90","","92.388","","90","","771.434","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","((U O2) (H2 O)2 (Cr O4)) (H2 O)","","- Cr H6 O9 U -","- Cr O9 U -","- Cr4 O36 U4 -","4","2","","Krivovichev, S.V.; Burns, P.C.","Geometrical isomerism in uranyl chromates. I. Crystal structures of(U O2) (Cr O4) (H2 O)2, ((U O2) (Cr O4) (H2 O)2)(H2 O) and ((U O2) (Cr O4) (H2 O)2)4 (H2 O)9","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","568","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103764","14.539","","5.605","","10.782","","90","","97.75","","90","","870.611","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Bi4 O5 Br2","","- Bi4 Br2 O5 -","- Bi4 Br2 O5 -","- Bi16 Br8 O20 -","4","2","","Keller, E.; Ketterer, J.; Kraemer, V.","Crystal structure and twinning of Bi4 O5 Br2","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","595","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","157164","2020-10-21","18:00:00",""
"8103767","5.196","","8.475","","8.868","","90","","105.05","","90","","377.117","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","K Li ((N H2) S O3)2","","- H4 K Li N2 O6 S2 -","- H4 K Li N2 O6 S2 -","- H8 K2 Li2 N4 O12 S4 -","2","1","","Meinhart, A.; Bohaty, L.; Haussuehl, E.; Tillmanns, E.","Crystal structures of sulfamates Me Li (N H2 S O3)2 (Me: K, Rb and Cs) and physical properties of K Li (N H2 S O3)2 (refractive indices, thermal expansion, elastic properties)","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","513","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103780","5.3746","","6.626","","12.3945","","90","","98.663","","90","","436.358","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Zr (H2 P O4) (P O4) (H2 O)2","","- H6 O10 P2 Zr -","- H6 O10 P2 Zr -","- H12 O20 P4 Zr2 -","2","1","","Salvado, M.A.; Pertierra, P.; Barcina, L.M.; Llavona, R.; Garcia-Granda, S.; Rodriguez, J.","Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by neutron powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103781","5.349","","6.5924","","12.398","","90","","98.54","","90","","432.34","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Hf (H2 P O4) (P O4) (H2 O)2","","- H6 Hf O10 P2 -","- H6 Hf O10 P2 -","- H12 Hf2 O20 P4 -","2","1","","Salvado, M.A.; Llavona, R.; Pertierra, P.; Barcina, L.M.; Garcia-Granda, S.; Rodriguez, J.","Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by neutron powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103876","7.6805","","5.4653","","37.747","","90","","95.875","","90","","1576.16","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca1 (Nb0.76 Ti0.24) O3.33","","- Ca Nb0.761 O3.33333 Ti0.193333 -","- Ca Nb0.761 O3.33333 Ti0.193333 -","- Ca24 Nb18.264 O80 Ti4.64 -","24","12","","Guevarra, J.; Daniels, P.; van Smaalen, S.; Rotiroti, N.; Lichtenberg, F.","Perovskite-related Ca (Nb, Ti) O3.33","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","19","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103984","6.381","","12.571","","6.513","","90","","96.73","","90","","518.844","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C H3)3 N H Sn Br3","","- C3 H10 Br3 N Sn -","- C3 H10 Br3 N Sn -","- C6 H20 Br6 N2 Sn2 -","2","1","","Thiele, G.; Serr, B.R.","Crystal structure of trimethylammonium bromostannate(II), (C H3)3 N H Sn Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","46","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104019","6.7547","","8.316","","4.8769","","90","","113.179","","90","","251.832","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Mn H P2 O7","","- H Mn O7 P2 -","- Mn O7 P2 -","- Mn2 O14 P4 -","2","1","","Ivashkevich, L.S.; Selevich, K.A.; Lyakhov, A.S.; Lesnikovich, A.I.; Selevich, A.F.","Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and double Mn Li P2 O7: crystal structure determination from x-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104020","7.0018","","8.1616","","4.7267","","90","","109.404","","90","","254.769","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Mn P2 O7","","- Li Mn O7 P2 -","- Li Mn O7 P2 -","- Li2 Mn2 O14 P4 -","2","1","","Ivashkevich, L.S.; Selevich, K.A.; Lesnikovich, A.I.; Selevich, A.F.; Lyakhov, A.S.","Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and double Mn Li P2 O7: crystal structure determination from x-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104080","5.378","","10.383","","11.316","","90","","91.72","","90","","631.598","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(((C H3)3 N H)2 Cl) (H Cl2)","","- C6 H21 Cl3 N2 -","- C6 H21 Cl3 N2 -","- C12 H42 Cl6 N4 -","2","1","","Deeg, A.; Dahlems, T.; Mootz, D.","Crystal structure of the adduct trimethylamine - hydrogen chloride (2/3), ((Me3 N H)2 Cl)(H Cl2)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","401","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","163945","2020-10-21","18:00:00",""
"8104103","14.944","","5.6983","","11.263","","90","","99.81","","90","","945.081","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Bi4 O5 I2","","- Bi4 I2 O5 -","- Bi4 I2 O5 -","- Bi16 I8 O20 -","4","2","","Keller, E.; Kraemer, V.; Schmidt, M.; Oppermann, H.","The crystal structure of Bi4 O5 I2 and its relation to the structure of Bi4 O5 Br2","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","256","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","164164","2020-10-21","18:00:00",""
"8104105","14.506","","5.6137","","10.83","","90","","97.657","","90","","874.049","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Bi4 O5 Br2","","- Bi4 Br2 O5 -","- Bi4 Br2 O5 -","- Bi16 Br8 O20 -","4","2","","Keller, E.; Kraemer, V.; Schmidt, M.; Oppermann, H.","The crystal structure of Bi4 O5 I2 and its relation to the structure of Bi4 O5 Br2","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","256","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","164168","2020-10-21","18:00:00",""
"8104147","7.273","","14.086","","7.655","","90","","90.13","","90","","784.233","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K (H P O3 F)","","- F H K O3 P -","- F H K O3 P -","- F8 H8 K8 O24 P8 -","8","4","","Prescott, H.A.; Troyanov, S.I.; Kemnitz, E.","The crystal structures of the potassium hydrogen monofluorophosphates, K H P O3 F and K3 (H (P O3 F)2), and the alpha modification of Rb H P O3 F","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","604","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104163","7","","15.61","","7.1","","90","","106.4","","90","","744.252","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(Cu (O C (N H2)2)4) (N O3)2","","- C4 H16 Cu N10 O10 -","- C4 H16 Cu N10 O10 -","- C8 H32 Cu2 N20 O20 -","2","1","","Koman, M.; Jona, E.; Nagy, D.","Crystal structure of tetrakis(urea)copper(II) nitrate, (CO(NH2)2)4Cu(NO3)2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104309","6.026","","15.369","","4.259","","90","","110.71","","90","","368.953","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Pb Br2 (S C (N H2)2)","","- C H4 Br2 N2 Pb S -","- C Br2 N2 Pb S -","- C2 Br4 N4 Pb2 S2 -","2","1","","Herbstein, F.H.; Kapon, M.; Reisner, G.M.","Crystal chemistry of thiourea complexes of lead(II) salts. Crystal structure of mono(thiourea)lead(II) bromide (form I) Pb Br2 (S C (N H2)2 and of bis(thiourea)lead(II) bromide (form II) Pb Br2 (S C (N H2)2)2","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","25","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104310","10.583","","12.457","","4.088","","90","","95.61","","90","","536.35","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Pb Br2 (S C (N H2)2)2","","- C2 H8 Br2 N4 Pb S2 -","- C2 Br2 N4 Pb S2 -","- C4 Br4 N8 Pb2 S4 -","2","1","","Herbstein, F.H.; Kapon, M.; Reisner, G.M.","Crystal chemistry of thiourea complexes of lead(II) salts. Crystal structure of mono(thiourea)lead(II) bromide (form I) Pb Br2 (S C (N H2)2 and of bis(thiourea)lead(II) bromide (form II) Pb Br2 (S C (N H2)2)2","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","25","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104347","13.608","","26.771","","6.016","","90","","95.61","","90","","2181.13","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S C (N H2)2)2 (Pb Br2)","","- C2 H8 Br2 N4 Pb S2 -","- C2 Br2 N4 Pb S2 -","- C16 Br16 N32 Pb8 S16 -","8","4","","Herbstein, F.H.; Reisner, G.M.","Crystal chemistry of thiourea complexes of lead(II) salts crystal structure of bis(thiourea)lead(II) bromide (form I) Pb Br2 (S C (N H2)2)2","Zeitschrift fuer Kristallographie (149,1979-)","1984","169","","83","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104350","7.3585","","5.0334","","15.95","","90","","90.778","","90","","590.706","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs0.35 (Al0.35 Si2.65 O6)","","- Al0.35 Cs0.35 O6 Si2.65 -","- Al0.3501 Cs0.35 O6 Si2.6499 -","- Al1.4004 Cs1.4 O24 Si10.5996 -","4","2","","Annehed, H.; Faelth, L.","The crystal structure of Cs0.35 Al0.35 Si2.65 O6, a cesium aluminosilicate with the bikitaite framework","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","173048","2020-10-21","18:00:00",""
"8104370","9.73","","7.301","","6.88","","90","","92.15","","90","","488.402","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(Co (P O4) (N H3)4) (H2 O)3","","- Co H14 N4 O7 P -","- Co H14 N4 O7 P -","- Co2 H28 N8 O14 P2 -","2","1","","Solans, X.; Rius, J.; Miravitlles, C.","The crystal and molecular structure of (Co (P O4) (N H3)4) (H2 O)3","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","207","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104547","4.6967","0.0007","10.7175","0.0016","12.945","0.002","90","","94.827","0.008","90","","649.3","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Yoo, Miri; Koh, Dongsoo","Crystal structure of (E)-ethyl 2-((4-oxo-4H-chromen-3-yl)methyleneaminooxy)acetate, C14H13NO5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1135","1137","10.1515/ncrs-2021-0247","","","0.71073","MoKα","","0.1393","0.0577","","","0.1038","0.1302","","","","","","1.013","","","","has coordinates","272836","2022-02-07","12:38:27",""
"8104563","11.0474","0.0003","6.0853","0.0002","13.9881","0.0004","90","","104.271","0.002","90","","911.36","0.05","100","2","99.94","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.","Crystal structure of 2,2′-(butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol), C20H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1191","1193","10.1515/ncrs-2021-0273","","","1.54184","CuKα","","0.0333","0.029","","","0.0705","0.0728","","","","","","1.06","","","","has coordinates","272883","2022-02-09","10:44:25",""
"8104607","6.4154","0.0001","7.8782","0.0002","17.1555","0.0004","90","","91.021","0.002","90","","866.93","0.03","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C38 H44 O14 -","2","1","","Xu, Xin-Ke; Li, Can-Jie; Tan, Jin-Lin; Zhao, Hai-Yue; Lin, Qiang; Li, Yao-Lan; Zhang, Yu-Bo; Wang, Guo-Cai","The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1359","1361","10.1515/ncrs-2021-0342","","x-ray","1.54184","CuKα","","0.0328","0.0326","","","0.102","0.1028","","","","","","0.926","","","","has coordinates","273155","2022-02-25","08:35:45",""
"8104659","6.0024","0.0005","19.474","0.002","8.3531","0.0008","90","","91.75","0.009","90","","975.94","0.16","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 F N3 O2 -","- C24 H16 F N3 O2 -","- C48 H32 F2 N6 O4 -","2","1","","Atioğlu, Zeliha; Karataş, Halis; Kökbudak, Zülbiye","The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1035","1037","10.1515/ncrs-2021-0216","","x-ray","0.71073","MoKα","","0.0631","0.0409","","","0.0733","0.0832","","","","","","1.01","","","","has coordinates","273487","2022-03-07","08:53:18",""
"8104662","16.06","0.0002","5.3992","0.0001","19.8514","0.0002","90","","94.26","0.001","90","","1716.58","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N5 O -","- C19 H25 N5 O -","- C76 H100 N20 O4 -","4","2","","Li, Jun-Jie; Dong, Fang-Yun; Zou, Qi-Wen; Feng, Yin; Yang, Yu-Tao; Su, Kai-Xuan; Huang, Yong-Fu; Jiang, Xu-Hong; Cheng, Xing-An","The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C19H25N5O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1047","1049","10.1515/ncrs-2021-0197","","x-ray","1.54184","CuKα","","0.0393","0.035","","","0.0888","0.0908","","","","","","1.078","","","","has coordinates","273490","2022-03-07","09:22:04",""
"8104709","9.1511","0.0004","5.6679","0.0003","16.7731","0.0009","90","","93.435","0.002","90","","868.42","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","benzo[d][1,3]dioxol-5-yl 2-(6-methoxynaphthalen-2-yl)propanoate","","- C21 H18 O5 -","- C21 H18 O5 -","- C42 H36 O10 -","2","1","","Sun, Wei; Wang, Yan; Zhou, Xiao-ping; Zhang, Mu-xin; Yang, Jin-zhu; Liang, Di","Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","779","780","10.1515/ncrs-2021-0116","","","1.54178","CuKα","","0.0477","0.041","","","0.1139","0.1204","","","","","","1.069","","","","has coordinates","273586","2022-03-10","08:23:21",""
"8104718","6.8522","0.0009","8.4333","0.0011","13.1908","0.0018","90","","95.88","0.005","90","","758.24","0.17","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C36 H30 B2 N4 O4 -","2","1","","Ren, Huaping; Miao, Zong-Cheng","The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","807","808","10.1515/ncrs-2021-0082","","","1.34139","GaKα","","0.0391","0.0381","","","0.1056","0.1068","","","","","","1.079","","","","has coordinates","273595","2022-03-10","09:25:54",""
"8104734","6.6936","0.0004","8.8892","0.0006","13.2577","0.0008","90","","97.74","0.001","90","","781.66","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Geng, Yi-Ding; Gong, Yi-Xia; Zhou, Shu-Jing; Wang, Gui-Yan","The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","857","859","10.1515/ncrs-2021-0131","","","0.71073","MoKα","","0.0473","0.0387","","","0.0707","0.0741","","","","","","1.07","","","","has coordinates","273645","2022-03-11","09:29:18",""
"8104744","5.7726","0.001","12.662","0.002","12.068","0.003","90","","92.377","0.011","90","","881.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","","Sun, Wei; Shi, Zhe; Wang, Yan; Zhou, Xiao-ping; Liang, Di","Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","885","886","10.1515/ncrs-2021-0134","","","1.54178","CuKα","","0.0384","0.0342","","","0.0855","0.0887","","","","","","1.054","","","","has coordinates","273655","2022-03-11","10:02:14",""
"8104752","6.3783","0.0004","8.263","0.0005","10.5891","0.0007","90","","90.877","0.002","90","","558.02","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","diaquahydrogen 2,5-dimethylbenzenesulphonate","diaquahydrogen 2,5-dimethylbenzenesulphonate","","- C8 H14 O5 S -","- C8 H14 O5 S -","- C16 H28 O10 S2 -","2","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of diaquahydrogen 2,5-dimethylbenzenesulphonate, C8H14O5S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","511","513","10.1515/ncrs-2020-0595","","","0.71073","MoKα","","0.0265","0.0254","","","0.0705","0.0715","","","","","","1.063","","","","has coordinates","273663","2022-03-11","10:37:18",""
"8104838","4.7061","0.0003","10.4639","0.0006","13.5675","0.0008","90","","97.512","0.002","90","","662.39","0.07","190","","189.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 B Br N2 -","- C16 H12 B Br N2 -","- C32 H24 B2 Br2 N4 -","2","1","","Ding, Siyi; Zhu, Min; Miao, Zong-Cheng","The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","383","384","10.1515/ncrs-2020-0556","","","1.34139","GaKα","","0.0385","0.0384","","","0.0994","0.0995","","","","","","1.085","","","","has coordinates","273921","2022-03-23","08:50:38",""
"8104858","11.576","0.002","12.407","0.003","17.582","0.003","90","","100.76","0.03","90","","2480.8","0.9","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C16 H48 Br5 Cu4 Gd O8 S12 W -","- C16 H48 Br5 Cu4 Gd O8 S12 W -","- C32 H96 Br10 Cu8 Gd2 O16 S24 W2 -","2","1","","Ye, Yunfeng; Tang, Guodong; Qian, Jun","Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1 O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","455","457","10.1515/ncrs-2020-0591","","","0.71073","MoKα","","0.0519","0.0446","","","0.1148","0.1169","","","","","","1.039","","","","has coordinates","273972","2022-03-25","08:03:21",""
"8104890","18.2539","0.0003","15.3118","0.0003","18.3718","0.0004","90","","91.2637","0.0017","90","","5133.67","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H78 Ca O22 S2 -","- C43 H78 Ca O22 S2 -","- C172 H312 Ca4 O88 S8 -","4","2","","Chang, Ying-Jie; Ding, Yuan-Min; Zhu, Lin-Yuan; Liu, Hong-Min; Li, Wen","Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)} – water – acetone (1/1/8/2)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","87","91","10.1515/ncrs-2020-0382","","x-ray","1.54184","CuKα","","0.0662","0.0544","","","0.147","0.1622","","","","","","1.023","","","","has coordinates","274026","2022-03-28","07:48:01",""
"8104901","5.2852","0.0002","13.3035","0.0006","10.7522","0.0005","90","","90.13","0.002","90","","756","0.06","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","phenarsazine chloride dimethyl sulfoxide solvate","","- C14 H15 As Cl N O S -","- C14 H15 As Cl N O S -","- C28 H30 As2 Cl2 N2 O2 S2 -","2","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","129","131","10.1515/ncrs-2020-0394","","","0.71073","MoKα","","0.0215","0.02","","","0.0498","0.0503","","","","","","1.024","","","","has coordinates,has disorder","274040","2022-03-28","09:26:28",""
"8104910","7.8727","0.0001","19.9173","0.0002","19.1801","0.0002","90","","94.539","0.001","90","","2998.06","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","2","","Ma, Ying; Wang, Hui-Yun; Zhang, Xiao-Fan; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H54O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","163","166","10.1515/ncrs-2020-0311","","","1.54178","CuKα","","0.0403","0.037","","","0.0951","0.0983","","","","","","1.034","","","","has coordinates","274064","2022-03-29","07:33:36",""
"8104911","6.6856","0.0005","8.8783","0.0007","13.2398","0.0009","90","","97.72","0.002","90","","778.75","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Gong, Yi-Xia; Geng, Yi-Ding","The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","167","168","10.1515/ncrs-2020-0439","","","0.71073","MoKα","","0.0708","0.0423","","","0.0851","0.097","","","","","","1.018","","","","has coordinates","274065","2022-03-29","07:36:54",""
"8104962","6.5465","0.0009","8.0647","0.0011","10.8476","0.0015","90","","105.591","0.003","90","","551.63","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C26 H18 Cl2 O4 -","2","1","","Bai, Xiao-Hui; Xing, Yan; Liu, Si-Jie","Crystal structure of (4-chlorophenyl)(4-hydroxyphenyl)methanone, C13H9ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","65","66","10.1515/ncrs-2021-0397","","","0.71073","MoKα","","0.0867","0.0532","","","0.1301","0.1507","","","","","","1.024","","","","has coordinates","274125","2022-03-30","09:31:36",""
"8104984","12.3337","0.0003","3.8701","0.0001","24.2368","0.0006","90","","97.644","0.002","90","","1146.61","0.05","170","0.11","170","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N10 O10 -","- C14 H26 N10 O10 -","- C28 H52 N20 O20 -","2","1","","Jin, Ze-Sen; Liu, E.; Liu, Xiao-jing; Jian, Fang-fang; Liang, Tongling","Crystal structure of (E)-amino(2-((5-methylfuran-2-yl)methylene)hydrazinyl) methaniminium nitrate monohydrate, C14H26N10O10","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","143","145","10.1515/ncrs-2021-0419","","x-ray","1.54184","CuKα","","0.0437","0.04","","","0.106","0.1092","","","","","","1.091","","","","has coordinates","274197","2022-04-01","07:41:07",""
"8105001","10.9311","0.0008","3.9554","0.0003","16.5215","0.0012","90","","92.743","0.002","90","","713.52","0.09","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C32 H30 Br2 N4 O4 -","2","1","","Ma, Jin-Xia; Wei, Ping; Li, Qing-Lin; Fu, Tao; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-(4-(((E)-2-bromo-6-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","19","20","10.1515/ncrs-2019-0435","","","0.71073","MoKα","","0.046","0.0335","","","0.0614","0.0655","","","","","","1","","","","has coordinates","274301","2022-04-04","07:39:42",""
"8105006","16.167","0.003","9.3424","0.0019","25.656","0.005","90","","108.27","0.03","90","","3679.7","1.4","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C160 H232 N8 O24 -","8","4","","Gong, Xiao F.; Song, Tao; Ning, Li F.; Chen, Xiao F.; Xu, Juan; Li, Peng; Gou, Ying Z.; Wang, Hui P.","The co-crystal structure of (17b)-estra-1,3,5(10)-triene-3,17diol – acetamide (1/1), a Z′ = 4 structure, C20H29NO3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","31","34","10.1515/ncrs-2019-0451","","","0.71073","MoKα","","0.1104","0.103","","","0.224","0.2296","","","","","","1.067","","","","has coordinates","274307","2022-04-04","08:32:15",""
"8105051","9.7251","0.0006","17.3609","0.0011","10.0542","0.0006","90","","114.379","0.001","90","","1546.16","0.17","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 I O P Sn -","- C36 H30 I O P Sn -","- C72 H60 I2 O2 P2 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of iodido-triphenyl-(triphenylphosphine oxide)tin(IV), C36H30IOPSn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","179","181","10.1515/ncrs-2019-0563","","","0.71073","MoKα","","0.0113","0.0113","","","0.0301","0.0301","","","","","","1.021","","","","has coordinates","274386","2022-04-06","09:07:41",""
"8105079","11.7817","0.0014","5.3165","0.0006","14.1747","0.0016","90","","95.731","0.002","90","","883.43","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C46 H34 N6 -","2","1","","Liu, Quan; Xiong, Guowei; Chen, Yunfeng; Li, Yuanxiang","The crystal structure of 1-benzyl-4-(2-(phenylethynyl)phenyl)-1H-1,2,3-triazole, C23H17N3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","269","270","10.1515/ncrs-2019-0585","","x-ray","0.71073","MoKα","","0.0942","0.0663","","","0.1384","0.1567","","","","","","1.012","","","","has coordinates","274743","2022-04-28","09:10:43",""
"8105081","8.1573","0.0001","17.4823","0.0001","9.1162","0.0001","90","","116.432","0.001","90","","1164.14","0.02","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N6 O7 S -","- C19 H28 N6 O7 S -","- C38 H56 N12 O14 S2 -","2","1","","Jiang, Binli; Zhou, Guo-Chun","Crystal structure of methyl (E)-N 2-((3-methylquinolin-8-yl)sulfonyl)-Nω′-nitro-L-argininate - ethanol (1/1), C19H28N6O7S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","275","277","10.1515/ncrs-2019-0597","","","1.54184","CuKα","","0.0289","0.0273","","","0.0722","0.0732","","","","","","1.052","","","","has coordinates","274745","2022-04-28","09:18:23",""
"8105107","5.8236","0.0004","16.7277","0.0013","10.5963","0.0007","90","","96.022","0.002","90","","1026.55","0.13","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","","Wang, Li; An, Xiao-Xin; Cui, Yong-Fan; Dong, Wen-Kui","Synthesis and crystal structure of benzyl 5-oxo-5-phenyl-2-(quinolin-2-yl)pentanoate, C27H23NO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","359","360","10.1515/ncrs-2019-0670","","","0.71073","MoKα","","0.045","0.0396","","","0.0926","0.0953","","","","","","1.051","","","","has coordinates","274837","2022-05-03","08:08:20",""
"8105126","7.28276","0.00007","13.22972","0.00012","8.01007","0.00007","90","","97.5018","0.0009","90","","765.156","0.012","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C~10~H~16~Cl~4~MnN~2~","","- C10 H16 Cl4 Mn N2 -","- C10 H16 Cl4 Mn N2 -","- C20 H32 Cl8 Mn2 N4 -","2","1","","Reiss, Guido J.","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C10H16Cl4MnN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","415","417","10.1515/ncrs-2019-0717","","x-ray","0.71073","MoKα","","0.0171","0.0165","","","0.0389","0.0392","","","","","","1.001","","","","has coordinates","274869","2022-05-04","07:25:41",""
"8105138","10.899","0.002","11.002","0.002","11.847","0.002","90","","112.74","0.03","90","","1310.2","0.5","163","2","163.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiao F.; Li, Peng; Xu, Juan; Wang, Hui P.; Ning, Li F.","The crystal structure of 6-methyl-3,20-dioxo-19-norpregna-4,6-dien-17-yl acetate–2,4-dihydroxybenzoic acid (1/1), C30H36O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","453","455","10.1515/ncrs-2019-0758","","","0.71073","MoKα","","0.0546","0.0504","","","0.1117","0.1161","","","","","","1.052","","","","has coordinates","274881","2022-05-04","08:39:34",""
"8105201","4.0668","0.0013","11.198","0.004","6.137","0.002","90","","97.033","0.011","90","","277.38","0.16","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C8 H10 N6 O4 -","2","1","","Qiao, Yanan; Yuan, Jun; Wan, Changyuan; Li, Yuexia; Wang, Yong","The crystal structure of 1-methyl-2-nitroimidazole, C4H5N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","269","270","10.1515/ncrs-2021-0482","","","0.71073","MoKα","","0.068","0.0444","","","0.0913","0.1048","","","","","","1.027","","","","has coordinates","275295","2022-05-10","08:21:14",""
"8105243","11.0273","0.0002","22.1495","0.0003","13.3766","0.0002","90","","107","0.001","90","","3124.46","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H60 Cl4 N16 O13 Zn2 -","- C57 H60 Cl4 N16 O13 Zn2 -","- C114 H120 Cl8 N32 O26 Zn4 -","2","1","","Cuihong, Zhang; Dengwu, Wang; Yuan, Ge; Liguo, Yang; Zongcheng, Miao","The crystal structure of bis(N-(amino(pyridin-2-yl)methylene)-5-chloro-2-hydroxybenzohydrazonato-κ3 N,N′,O)zinc(II) – methanol (2/5), C57H60Cl2N16O13Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","639","641","10.1515/ncrs-2019-0874","","","0.71073","MoKα","","0.0338","0.0316","","","0.0793","0.0806","","","","","","0.982","","","","has coordinates,has disorder","275398","2022-05-13","08:02:34",""
"8105257","8.8052","0.0001","10.886","0.0001","18.6705","0.0002","90","","99.273","0.001","90","","1766.24","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O S2 -","- C17 H27 N3 O S2 -","- C68 H108 N12 O4 S8 -","4","2","","Hui-Qing, He; Fang-Yun, Dong; Han-Hui, Zhang; Jing-Min, Ye; Chun-Can, Tan; Xu-Hong, Jiang; Zi-Zhao, Zheng; Xiao-Jing, Lv; Xing-An, Cheng","The crystal structure of a matrine derivative, 13-(methylamine-1-yl) carbodithioate matrine, C17H27N3OS2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","685","687","10.1515/ncrs-2019-0899","","x-ray","1.54184","CuKα","","0.0306","0.0305","","","0.0809","0.081","","","","","","1.031","","","","has coordinates","275435","2022-05-16","07:22:56",""
"8105276","4.2387","0.0005","18.724","0.002","10.7345","0.0013","90","","97.751","0.004","90","","844.16","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N4 Ni O2 -","- C22 H14 N4 Ni O2 -","- C44 H28 N8 Ni2 O4 -","2","1","","Shi, Xiao-Ming; Xiao, Li-Na; Peng, Peng; Zhang, Jie","The crystal structure of (2,3-dioxo-5,6:13,14-dibenzo-9,10-benzo-1,4,8,11-7, 11-diene-κ4 N,N′,N′′,N′′′)-nickel(II), Ni(C22H14N4O2)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","747","749","10.1515/ncrs-2019-0941","","","0.71073","MoKα","","0.0557","0.0435","","","0.1128","0.1255","","","","","","0.941","","","","has coordinates","275479","2022-05-17","08:00:54",""
"8105301","8.3844","0.0001","20.0465","0.0003","14.0511","0.0002","90","","94.786","0.001","90","","2353.44","0.06","150.02","","150.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","4","","Olagboye, Sulaiman A.; Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe J.","Crystal structure of (E)-1-(2-nitrophenyl)-N-(o-tolyl)methanimine, C14H12N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","833","836","10.1515/ncrs-2020-0034","","","0.71073","MoKα","","0.0429","0.0356","","","0.0954","0.1022","","","","","","1.013","","","","has coordinates","275542","2022-05-19","08:50:27",""
"8105343","7.334","0.0001","14.4781","0.0003","8.6768","0.0002","90","","94.919","0.002","90","","917.93","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","Nicotin-1,1'-diium tetraiodidozincate(II) monohydrate","3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II)","","- C10 H16 I4 N2 Zn -","- C10 H16 I4 N2 Zn -","- C20 H32 I8 N4 Zn2 -","2","1","","Reiss, Guido J.; Sergeeva, Alena","Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","959","962","10.1515/ncrs-2020-0123","","","0.71073","MoKα","","0.0172","0.0165","","","0.0394","0.0397","","","","","","1.066","","","","has coordinates","275859","2022-06-07","07:28:21",""
"8105347","7.0011","0.0005","12.3136","0.0009","10.4847","0.0008","90","","105.734","0.002","90","","870.01","0.11","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","","He, Kang; Wang, Yu-Xue; Ye, Jiang-Hai; Zou, Juan; Zhao, Wei; Zhang, Jing-Jie; Zhang, Jin-Yi","Crystal structure of octahydro-7aR,8′R-dimethylspiro[isobenzofuran-4(1H), 4′ (3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,3, 9′ (3aH,4′aH)-trione, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","975","976","10.1515/ncrs-2020-0131","","","0.71073","MoKα","","0.0476","0.0384","","","0.0867","0.0925","","","","","","1.026","","","","has coordinates","275863","2022-06-07","07:53:31",""
"8105371","7.4945","0.0007","7.2336","0.0006","11.5401","0.001","90","","92.555","0.002","90","","624.99","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2R,4S)-hydroxyketamine","(2R,4S)-2-(2-chlorophenyl)-4-hydroxy-2-methylamino)-cyclohexanone","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Reiss, Guido J.; Urlacher, Vlada B.; Luelf, U. Joost","Enzyme-mediated synthesis and crystal structure of (2R,4S)-hydroxyketamine, C13H16ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1037","1039","10.1515/ncrs-2020-0157","","","0.71073","MoKα","","0.0445","0.0415","","","0.0929","0.0947","","","","","","1.034","","","","has coordinates","275917","2022-06-08","09:18:40",""
"8105383","7.9654","0.0003","23.691","0.0008","21.2314","0.0008","90","","96.777","0.002","90","","3978.5","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Knipholone","1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthraquinone","","- C24 H18 O8 -","- C24 H18 O8 -","- C192 H144 O64 -","8","4","","Hlangothi, Buyiswa G.; Mahanjana, Lungelwa; Hosten, Eric C.; van Heerden, Fanie R.; van de Venter, Maryna","Structural elucidation of 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione isolated from Bulbine latifolia (L.) Wild, C24H18O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1077","1081","10.1515/ncrs-2020-0177","","","0.71073","MoKα","","0.0647","0.0499","","","0.1238","0.132","","","","","","1.037","","","","has coordinates","275962","2022-06-10","09:00:37",""
"8105427","11.0421","0.0003","6.4971","0.00016","20.4687","0.0004","90","","97.922","0.002","90","","1454.44","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O5 -","- C31 H48 O5 -","- C62 H96 O10 -","2","1","","Mou, Xiao-Dong; Wang, Hui-Yun; Sun, Ke-Wei; Luan, Ming-Zhu; Meng, Qing-Guo","The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1223","1225","10.1515/ncrs-2020-0275","","x-ray","1.54184","CuKα","","0.0471","0.0382","","","0.094","0.1024","","","","","","1.038","","","","has coordinates","276047","2022-06-15","07:38:12",""
"8105455","6.98138","0.00017","37.905","0.0006","7.28644","0.00016","90","","117.789","0.003","90","","1705.83","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C78 H108 O10 -","2","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Liu, Li; Meng, Qing-Guo","The crystal structure of benzyl 3β-acetylglycyrrhetate, C39H54O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1319","1321","10.1515/ncrs-2020-0296","","x-ray","1.54184","CuKα","","0.0345","0.0326","","","0.0852","0.0872","","","","","","1.04","","","","has coordinates","276154","2022-06-22","09:29:59",""
"8105486","6.0479","0.0009","9.7032","0.001","14.711","0.002","90","","94.174","0.009","90","","861","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1431","1433","10.1515/ncrs-2020-0349","","","0.71073","MoKα","","0.1245","0.044","","","0.1141","0.1436","","","","","","0.893","","","","has coordinates","276192","2022-06-23","09:42:23",""
"8105517","11.816","0.002","7.4064","0.0015","17.101","0.003","90","","97.01","0.03","90","","1485.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O5 -","- C32 H52 O5 -","- C64 H104 O10 -","2","1","","Liu, Li; Wang, Hui-yun; Zhou, Xia; Zhang, Sheng-Nan; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (3S,8R,10R,14R)-17-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H52O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1547","1549","10.1515/ncrs-2020-0384","","","0.71073","MoKα","","0.0572","0.0543","","","0.1426","0.1501","","","","","","1.077","","","","has coordinates","276248","2022-06-24","09:43:55",""
"8105543","12.679","0.003","6.9067","0.0014","15.577","0.003","90","","113.821","0.004","90","","1247.9","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H42 N2 O2 -","- C28 H42 N2 O2 -","- C56 H84 N4 O4 -","2","1","","Huo, Shao-Jie; Wu, Ji-Chun; He, Xi-Chen; Wu, Qi-Yun; Du, Jiang","Crystal structure of (20S)-20-(dimethylamino)-3-(tigloylamino)-5α-pregn-2,16-dien-4-one, C28H42N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","65","67","10.1515/ncrs-2018-0169","","","0.71073","MoKα","","0.0614","0.0485","","","0.1171","0.1266","","","","","","1.029","","","","has coordinates","276311","2022-06-28","08:19:38",""
"8105561","10.7872","0.0002","5.02626","0.00011","15.5479","0.0003","90","","94.2278","0.0017","90","","840.7","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C32 H48 N4 O8 -","2","1","","Sun, Wei; Zhu, Zhi-Ling; Zuo, Li-Min; Zhao, Ting; Zhu, Ming-Hui; Shan, Guang-Zhi","Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","119","120","10.1515/ncrs-2018-0219","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0817","0.0871","","","","","","1.041","","","","has coordinates","276392","2022-06-29","09:18:46",""
"8105572","7.892","0.008","6.088","0.006","15.701","0.016","90","","90.08","0.03","90","","754.4","1.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H5 F N2 O -","- C8 H5 F N2 O -","- C32 H20 F4 N8 O4 -","4","2","","Zhou, Zhixu; Long, Dan; Wu, Qing-Mei; Yu, De-Hou; Lu, Hong-Guang","The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","153","154","10.1515/ncrs-2018-0242","","","0.71073","MoKα","","0.0569","0.0423","","","0.0924","0.1032","","","","","","0.971","","","","has coordinates","276427","2022-06-30","07:22:42",""
"8105643","11.8434","0.0005","11.2298","0.0006","17.0706","0.0008","90","","94.661","0.002","90","","2262.86","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 N5 O3 S3 -","- C17 H27 N5 O3 S3 -","- C68 H108 N20 O12 S12 -","4","2","","Zuo, Zhenyu; Yan, Hao; Song, Xiao; Song, XiaoMei; Guo, Dongyan","The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","351","353","10.1515/ncrs-2018-0414","","","1.54184","CuKα","","0.0294","0.0287","","","0.0802","0.0809","","","","","","1.066","","","","has coordinates,has disorder","276552","2022-07-05","07:22:08",""
"8105683","10.1233","0.0005","12.1414","0.0007","13.742","0.0007","90","","98.389","0.005","90","","1670.97","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C44 H34 N4 -","- C44 H34 N4 -","- C88 H68 N8 -","2","1","","Al-Dies, Al-Anood M.; Asiri, Abdullah M.; Khan, Salman A.; Tiekink, Edward R.T.","Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","465","467","10.1515/ncrs-2018-0473","","","0.71073","MoKα","","0.0693","0.0452","","","0.1024","0.1136","","","","","","1.001","","","","has coordinates","276759","2022-07-11","09:22:24",""
"8105698","12.3887","0.0011","15.7405","0.0013","13.4254","0.0011","90","","97.364","0.002","90","","2596.4","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H56 N6 Ni3 O10 S4 -","- C48 H56 N6 Ni3 O10 S4 -","- C96 H112 N12 Ni6 O20 S8 -","2","1","","Yang, Liguo; Wang, Xin; Zou, Kun; Hu, Shuige; Liu, Xiaozhen","The crystal structure bis(dimethylsulfoxide-κ1O)-dipyridine-κ1 N-bis(m2-(Z)-3-methyl-2-oxido-N-((Z)-oxido(phenyl)methylene)benzohydrazonato-κ5)trinickel(II) - dimethylsulfoxide (1/2), C48H56N6Ni3O10S4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","365","367","10.1515/ncrs-2022-0014","","","0.71073","MoKα","","0.0625","0.053","","","0.1238","0.1316","","","","","","1.04","","","","has coordinates","277382","2022-08-24","09:11:43",""
"8105717","10.204","0.003","5.7956","0.0016","14.591","0.004","90","","97.876","0.01","90","","854.7","0.4","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 Fe O -","- C22 H22 Fe O -","- C44 H44 Fe2 O2 -","2","1","","Zhang, Jingxiao; Hu, Xiangjie; Liu, Xianghui; He, Yifan","The crystal structure of (E)-1-ferrocenyl-3-(4-isopropylphenyl)prop-2-en-1-one, C22H22FeO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","437","439","10.1515/ncrs-2022-0063","","","0.71073","MoKα","","0.1194","0.0676","","","0.1359","0.1647","","","","","","1.032","","","","has coordinates","277458","2022-08-30","08:24:24",""
"8105744","5.6814","0.0005","13.0181","0.0012","22.833","0.002","90","","96.473","0.002","90","","1678","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H30 O5 -","- C16 H30 O5 -","- C64 H120 O20 -","4","2","","Wang, Guangdi; Qian, Shihao; Yan, Sun; Wen, Tingchi","Crystal structure of (2-(1-hydroxyheptyl)octahydro-8aH-chromene-5,8,8a-triol), C16H30O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","539","541","10.1515/ncrs-2022-0092","","","0.71073","MoKα","","0.0988","0.0508","","","0.1099","0.1346","","","","","","0.989","","","","has coordinates","277581","2022-09-02","07:29:05",""
"8105764","14.805","0.003","10.0557","0.0018","18.061","0.003","90","","98.935","0.005","90","","2656.2","0.8","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 N2 O3 -","- C28 H48 N2 O3 -","- C112 H192 N8 O12 -","4","2","","Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Chen; Du, Jiang","Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","513","516","10.1515/ncrs-2018-0511","","","0.71073","MoKα","","0.109","0.0674","","","0.1663","0.1955","","","","","","0.97","","","","has coordinates","277801","2022-09-13","09:22:34",""
"8105769","7.9827","0.0003","12.6787","0.0006","14.0183","0.0009","90","","90.903","0.005","90","","1418.62","0.13","298","2","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 N2 O9 -","- C30 H44 N2 O9 -","- C60 H88 N4 O18 -","2","1","","Li, Guo-Qiang; Xu, Qing-Peng; Zhao, Yi-Ting; Li, Yun-Yi; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of ajacisine D monohydrate, C30H44N2O9","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","527","529","10.1515/ncrs-2018-0531","","x-ray","0.71073","MoKα","","0.1012","0.0607","","","0.1107","0.1298","","","","","","1.023","","","","has coordinates","277827","2022-09-14","09:02:41",""
"8105783","8.1588","0.0005","7.867","0.0004","10.2161","0.0005","90","","90.52","0.004","90","","655.7","0.06","290","","290","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O S -","- C16 H14 O S -","- C32 H28 O2 S2 -","2","1","","Liu, Jin-Qiang; Ji, Li; Wang, Weizhou","Crystal structure of 2-isopropylthioxanthone, C16H14OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","573","574","10.1515/ncrs-2018-0576","","x-ray","0.71073","MoKα","","0.0617","0.0539","","","0.1245","0.1312","","","","","","1.037","","","","has coordinates","277918","2022-09-16","09:23:51",""
"8105856","9.8091","0.0011","7.6661","0.0008","19.095","0.002","90","","93.171","0.004","90","","1433.7","0.3","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H54 N2 O3 -","- C29 H54 N2 O3 -","- C58 H108 N4 O6 -","2","1","","Tan, Bo; Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Cheng; Du, Jiang","Crystal structure of (E)-N-((3R,5S,10S, 13S,14S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide – water – methanol (1/1/1), C29H54N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","801","803","10.1515/ncrs-2019-0122","","","0.71073","MoKα","","0.1498","0.0657","","","0.1082","0.1362","","","","","","1.013","","","","has coordinates","278121","2022-09-23","09:26:17",""
"8105879","9.1804","0.0005","19.4133","0.001","13.9191","0.0007","90","","90.593","0.003","90","","2480.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","4","","Reiss, Guido J.; Meyer, Michaela K.; Graf, Jürgen","Synthesis and crystal structure of a new polymorph of diisopropylammonium trichloroacetate, C8H16Cl3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","875","879","10.1515/ncrs-2019-0064","","","0.71073","MoKα","","0.0733","0.0605","","","0.1338","0.1387","","","","","","1.257","","","","has coordinates","278210","2022-09-27","09:22:28",""
"8105889","9.2473","0.0001","9.9061","0.0002","12.5907","0.0002","90","","101.264","0.002","90","","1131.15","0.03","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7 -","- C25 H34 O7 -","- C50 H68 O14 -","2","1","","Li, Guo-Qiang; Zhao, Yi-Ting; Xu, Qing-Peng; Tian, Hai-Yan; Guo, Peng-ran; Wu, Fu-wang","Isolation and crystal structure of bufotalinin — methanol (1/1), C25H34O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","911","913","10.1515/ncrs-2019-0138","","x-ray","1.54178","CuKα","","0.0383","0.038","","","0.1022","0.1025","","","","","","1.066","","","","has coordinates","278561","2022-10-13","08:55:05",""
"8105904","7.3941","0.0006","15.3043","0.0014","9.7831","0.0007","90","","101.315","0.007","90","","1085.55","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H44 Co2 N8 O7 S2 -","- C42 H44 Co2 N8 O7 S2 -","- C42 H44 Co2 N8 O7 S2 -","1","0.5","","Yin, Chonglan; Jiang, Wei; Dai, Jihong","Crystal structure of poly[μ2-1,4-bis((1H-imidazol-1-yl)methyl)benzene-κ2 N:N′)-(μ2-4-sulfidobenzoate-κ2 O:S)cobalt(II)] dihydrate, C42H44Co2N8O7S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","959","960","10.1515/ncrs-2019-0175","","","0.71073","MoKα","","0.0457","0.0392","","","0.073","0.0749","","","","","","1.098","","","","has coordinates","278653","2022-10-20","08:40:59",""
"8106039","10.4369","0.0003","9.4976","0.0002","10.8153","0.0003","90","","114.911","0.001","90","","972.33","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C32 H68 N4 O12 -","4","2","","Alapour, Saba; Zamisa, Sizwe J.; Koorbanally, Neil A.; Ramjugernath, Deresh","Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C8H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","49","50","10.1515/ncrs-2017-0128","","","0.71073","MoKα","","0.029","0.0287","","","0.0725","0.0733","","","","","","1.073","","","","has coordinates","279177","2022-11-10","08:19:04",""
"8106057","7.9178","0.0008","10.8496","0.0012","7.9804","0.0008","90","","95.491","0.003","90","","682.41","0.12","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Wang, Kun-Yan; Wei, Pengfei; Yang, Xiao-Li","A Corey lactone: crystal structure of (3aR,4R,5R,6aS)-5-benzoyloxy-4(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, C15H16O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","93","94","10.1515/ncrs-2017-0185","","","0.71073","MoKα","","0.1154","0.0646","","","0.1138","0.1323","","","","","","0.982","","","","has coordinates","279197","2022-11-10","10:11:11",""
"8106131","10.749","0.001","9.837","0.0008","11.9621","0.0013","90","","113.03","0.004","90","","1164.04","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2R)-N^1^,N^2^-diferrocenyl-1,2- cyclohexanedicarboxamide","","- C28 H30 Fe2 N2 O2 -","- C28 H30 Fe2 N2 O2 -","- C56 H60 Fe4 N4 O4 -","2","1","","Zábranský, Martin; Leitner, Zdeněk; Štěpnička, Petr","The crystal structure of (1R, 2R)-N 1,N 2-diferrocenyl-1,2-cyclohexanedicarboxamide, C28H30Fe2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","295","298","10.1515/ncrs-2017-0294","","","0.71073","MoKα","","0.0469","0.0358","","","0.0581","0.0612","","","","","","0.98","","","","has coordinates","279351","2022-11-17","09:35:28",""
"8106154","8.0094","0.0005","6.7689","0.0003","29.577","0.002","90","","95.809","0.006","90","","1595.28","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","monoclinic","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","2","","Tan, Zhuo-Jie; Wang, Yun-Bo; Yang, Quan-Nu; Li, Yao-Lan; Wang, Guo-Cai; Ouyang, Yong-Zhong; Li, Guo-Qiang","Crystal structure of camptothecin, C20H16N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","365","367","10.1515/ncrs-2017-0244","","","1.54178","CuKα","","0.0654","0.0457","","","0.1056","0.1209","","","","","","1.009","","","","has coordinates","279388","2022-11-18","09:27:18",""
"8106182","9.371","0.004","11.397","0.004","9.777","0.004","90","","95.117","0.006","90","","1040","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C50 H50 N2 O4 S2 -","2","1","","Huang, Xie; Wang, Ping-an; He, Wei; Ye, Xiaoxia","Crystal structure of 5-methyl-3,3-diphenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C25H25NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","457","458","10.1515/ncrs-2017-0350","","","0.71073","MoKα","","0.0531","0.0423","","","0.0874","0.0921","","","","","","1.025","","","","has coordinates","279430","2022-11-21","09:39:53",""
"8106194","5.6017","0.0004","10.7601","0.0008","10.4036","0.0008","90","","95.697","0.002","90","","623.98","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl Cu N3 O3 -","- C10 H16 Cl Cu N3 O3 -","- C20 H32 Cl2 Cu2 N6 O6 -","2","1","","Messali, Mouslim; Ati, Rafika El; Touzani, Rachid; Aouad, Mohamed Reda; Warad, Ismail","Crystal structure of the coordination polymer catena-poly[chlorido-{μ2-2-(((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amino)-3-hydroxybutanoato-κ4 N,N,O:O′}copper(II)], C11H16ClCuN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","493","494","10.1515/ncrs-2017-0383","","","1.54178","CuKα","","0.0321","0.0321","","","0.0833","0.0833","","","","","","1.023","","","","has coordinates","279457","2022-11-22","09:50:56",""
"8106215","11.9542","0.0005","11.4057","0.0005","17.2763","0.0008","90","","96.38","0.001","90","","2340.97","0.18","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N5 O3 S2 -","- C19 H29 N5 O3 S2 -","- C76 H116 N20 O12 S8 -","4","2","","Zuo, Zhenyu; Lei, Fuhou; Dai, Yang; Wang, Lu","The crystal structure of 2-phenyl-4,6-bis(R-tert-butylsulfonamido)-1,3,5-triazine – ethyl acetate (2/1), C38H58N10O6S4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","555","557","10.1515/ncrs-2017-0292","","","1.54178","CuKα","","0.0336","0.0325","","","0.083","0.0836","","","","","","1.037","","","","has coordinates","279496","2022-11-23","08:59:57",""
"8106217","9.9882","0.0007","8.5202","0.0006","23.1403","0.0018","90","","91.01","0.002","90","","1969","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl1-phenylethylcarbamate","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C80 H104 N8 O16 -","8","4","","Thakar, Amit S.; Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","Crystal structure of methyl (1-phenylethyl)carbamate, C10H13NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","561","563","10.1515/ncrs-2017-0320","","","0.71073","MoKα","","0.0518","0.0387","","","0.0858","0.0919","","","","","","1.02","","","","has coordinates","279498","2022-11-23","09:18:47",""
"8106238","7.7751","0.0006","12.8081","0.0014","12.4032","0.0015","90","","103.79","0.01","90","","1199.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H17 Co N3 O5 -","- C29 H17 Co N3 O5 -","- C58 H34 Co2 N6 O10 -","2","1","","Liu, Xue-Guo; Yan, Wei-Hong; Xing, Xiao-Jing; Fan, Hui-Tao","Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ6 O:O′,O′′:N,N′,N′′)cobalt(II)] C29H17CoN3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","629","630","10.1515/ncrs-2017-0387","","","0.71073","MoKα","","0.1047","0.0627","","","0.0814","0.094","","","","","","0.967","","","","has coordinates","279536","2022-11-24","08:49:00",""
"8106275","6.8679","0.0005","7.7096","0.0005","12.4043","0.0007","90","","101.332","0.002","90","","643.99","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C28 H26 Br2 N4 O2 -","2","1","","Hong, Yong; Liu, Wei","Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4-bromophenol, C14H13BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","725","726","10.1515/ncrs-2018-0070","","","0.71073","MoKα","","0.0406","0.0294","","","0.0655","0.0691","","","","","","1.035","","","","has coordinates","279596","2022-11-28","09:52:59",""
"8106313","7.5482","0.001","7.0055","0.0009","18.245","0.003","90","","101.709","0.004","90","","944.7","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O8 -","- C22 H20 O8 -","- C44 H40 O16 -","2","1","","Deng, Rui; Zhao, Chen-Liang; Ye, Jiang-Hai; Liu, Ya-Hua; Zou, Juan; Pan, Lu-Tai","Crystal structure of 1,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate, C22H20O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","829","830","10.1515/ncrs-2018-0039","","","0.71073","MoKα","","0.0549","0.0444","","","0.1121","0.1199","","","","","","1.0631","","","","has coordinates","279689","2022-12-05","09:47:35",""
"8106412","11.8118","0.0005","4.9299","0.0002","16.5436","0.0007","90","","101.116","0.002","90","","945.28","0.07","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","2","","Tan, Jun-Jie; Liu, Xiao-Yu; Zhang, Jie; Chen, Xi; Li, Yi-Ming; Jiao, Bing-Hua","Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","7","8","10.1515/ncrs-2016-0099","","","1.54178","CuKα","","0.0307","0.0302","","","0.0769","0.0774","","","","","","1.056","","","","has coordinates","280141","2023-01-06","07:59:25",""
"8106473","14.4605","0.0004","9.9703","0.0004","22.7599","0.0007","90","","94.799","0.003","90","","3269.92","0.19","293.33","0.1","293.33","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H49 N O5 S -","- C34 H49 N O5 S -","- C136 H196 N4 O20 S4 -","4","2","","Wang, Guirong; Zhao, Fengwu","Crystal structure of 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl 2-((2-methyl-1-(3-methylbenzamido)propan-2-yl)thio)acetate, C34H49NO5S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","173","176","10.1515/ncrs-2016-0175","","x-ray","0.71073","MoKα","","0.1208","0.0638","","","0.115","0.1482","","","","","","1.04","","","","has coordinates","280368","2023-01-17","08:51:15",""
"8106557","9.7404","0.0005","10.0985","0.0005","10.752","0.0005","90","","98.328","0.003","90","","1046.45","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hydroisoquinolinium derivative","(S)-benzyl 3-(benzylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C50 H48 N4 O6 -","2","1","","Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Tricia, Naicker","Crystal structure of (S)-benzyl 3-(benzylcarba-moyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, C25H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","425","426","10.1515/ncrs-2016-0299","","","0.71073","MoKα","","0.0269","0.0252","","","0.0588","0.06","","","","","","0.911","","","","has coordinates","280533","2023-01-23","10:26:04",""
"8106774","8.7346","0.0003","15.2594","0.0005","13.9586","0.0006","90","","93.445","0.003","90","","1857.11","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl Fe N2 O2 -","- C20 H20 Cl Fe N2 O2 -","- C80 H80 Cl4 Fe4 N8 O8 -","4","2","","Chen, Xia; Xue, Chongchong; Zhang, Daopeng","Crystal structure of chlorido(2,2′-((1E,1′E)-(((1R,2R)-cyclohexane-1,2-diyl)bis(azanylylidene))bis(methylylidene))diphenolato-κ 4 N,N′,O,O′)iron(III), C20H20ClFeN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","25","27","10.1515/ncrs-2014-9074","","","0.71073","MoKα","","0.0545","0.0425","","","0.0896","0.0988","","","","","","1.031","","","","has coordinates","280879","2023-02-14","09:30:00",""
"8106791","11.6665","0.0003","5.7483","0.0002","14.7695","0.0004","90","","103.841","0.001","90","","961.72","0.05","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F N3 O3 S -","- C21 H18 F N3 O3 S -","- C42 H36 F2 N6 O6 S2 -","2","1","","Aydın, Abdullah; Bilginer, Sinan; Gul, Halise Inci; Akkurt, Mehmet; Mete, Ebru","Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C21H18FN3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","81","83","10.1515/ncrs-2015-0034","","","0.71073","MoKα","","0.0409","0.034","","","0.081","0.0852","","","","","","1.041","","","","has coordinates","281205","2023-03-01","09:21:58",""
"8106798","7.1583","0.0009","28.524","0.004","7.6021","0.0008","90","","94.443","0.011","90","","1547.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea","(R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea","","- C16 H14 F N3 S2 -","- C16 H14 F N3 S2 -","- C64 H56 F4 N12 S8 -","4","2","","Wang, Xiao-Juan","Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","105","107","10.1515/ncrs-2015-0052","","","0.71073","MoKα","","0.0761","0.0547","","","0.1201","0.1346","","","","","","1.085","","","","has coordinates","281212","2023-03-01","10:11:57",""
"8106909","11.7112","0.0008","10.0135","0.0005","14.6411","0.001","90","","104.21","0.007","90","","1664.43","0.19","293.33","0.1","293.33","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H49 N O6 S -","- C34 H49 N O6 S -","- C68 H98 N2 O12 S2 -","2","1","","Shang, Ruofeng; Yi, Yunpeng; Liang, Jianping","Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","465","467","10.1515/ncrs-2015-0142","","x-ray","0.71073","MoKα","","0.1382","0.0659","","","0.1174","0.1593","","","","","","1.028","","","","has coordinates","281801","2023-03-10","09:20:17",""
"8107038","11.1339","0.0016","6.1262","0.0009","14.771","0.002","90","","103.567","0.005","90","","979.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C44 H60 O12 -","2","1","","Ye, Jiang-Hai; Zhang, Jing-Jie; Zhao, Chen-Liang; Zhang, Qi-Long; Pan, Lu-Tai","Crystal structure of ent-1β-acetoxy-7α,14α-di-hydroxy-7β,20-epoxykaur-16-en-15-one, C22H30O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","889","890","10.1515/ncrs-2015-0305","","","0.71073","MoKα","","0.0467","0.0412","","","0.1066","0.1165","","","","","","1.001","","","","has coordinates","282393","2023-04-05","08:42:52",""
"8107040","9.111","0.003","9.535","0.003","11.331","0.004","90","","92.703","0.004","90","","983.3","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","","Lv, Jun; Ye, Jiang-Hai; Yang, Li-Yong; Zhao, Chen-Liang; Zhang, Jing-Jie; Pan, Lu-Tai","Crystal structure of 7β,14β,15β-trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaurane, C22H32O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","893","894","10.1515/ncrs-2015-0307","","","0.71073","MoKα","","0.0465","0.0418","","","0.1097","0.1152","","","","","","1.064","","","","has coordinates","282395","2023-04-05","08:49:24",""
"8107054","13.0921","0.0019","5.674","0.0008","14.417","0.002","90","","106.217","0.005","90","","1028.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O S -","- C26 H19 N3 O S -","- C52 H38 N6 O2 S2 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Ajarim, Mansour D.; Alobaid, Abdulrahman M.; Ghabbour, Hazem A.","Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-phenylthiazole, C26H19N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","935","936","10.1515/ncrs-2016-0012","","","0.71073","MoKα","","0.1164","0.0564","","","0.0773","0.0913","","","","","","1.028","","","","has coordinates","282464","2023-04-06","07:44:05",""
"8107080","8.036","0.004","7.113","0.003","13.556","0.006","90","","104.725","0.005","90","","749.4","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H11 Cd Cl2 N O5 -","- C13 H11 Cd Cl2 N O5 -","- C26 H22 Cd2 Cl4 N2 O10 -","2","1","","Li, Shi-Hui; Zheng, Min","Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2 O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1013","1014","10.1515/ncrs-2015-0300","","","0.71073","MoKα","","0.0237","0.022","","","0.0562","0.0575","","","","","","1.081","","","","has coordinates","282722","2023-04-19","07:56:44",""
"8107083","6.0486","0.0002","17.4704","0.0007","11.9215","0.0004","90","","96.327","0.001","90","","1252.09","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl F N4 O4 S -","- C27 H24 Cl F N4 O4 S -","- C54 H48 Cl2 F2 N8 O8 S2 -","2","1","","Haress, Nadia G.; Ghabbour, Hazem A.; Almutairi, Maha S.; Fun, Hoong-Kun; Attia, Mohamed I.","Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1021","1023","10.1515/ncrs-2016-0032","","","0.71073","MoKα","","0.0758","0.0476","","","0.0918","0.1004","","","","","","0.999","","","","has coordinates","282725","2023-04-19","08:36:49",""
"8107179","6.62197","0.00014","11.764","0.0002","11.8485","0.0002","90","","95.0757","0.0019","90","","919.39","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 Br O2 -","- C21 H27 Br O2 -","- C42 H54 Br2 O4 -","2","1","","Ji, Xiao-Liang; Xie, Feng; Li, Yi-Biao","The crystal structure of 17-(bromoethynyl)-17-hydroxy-10, 13-dimethyl- 1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C21H27BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","655","657","10.1515/ncrs-2022-0165","","x-ray","1.54184","CuKα","","0.0265","0.0264","","","0.0693","0.0695","","","","","","1.055","","","","has coordinates","283682","2023-05-11","07:20:43",""
"8107196","7.1425","0.0007","9.2733","0.0008","14.3161","0.0013","90","","93.592","0.004","90","","946.36","0.15","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C42 H52 N4 O4 -","2","1","","Zhao, Ji-Xing; Chen, Da-Qun; Wu, Lei-Fang","Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","711","713","10.1515/ncrs-2022-0134","","","0.71073","MoKα","","0.0698","0.0461","","","0.1028","0.1148","","","","","","1.033","","","","has coordinates","283725","2023-05-12","09:21:07",""
"8107215","13.7983","0.0008","7.3771","0.0003","14.3578","0.0007","90","","101.73","0.005","90","","1430.98","0.13","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl N6 O3 -","- C30 H33 Cl N6 O3 -","- C60 H66 Cl2 N12 O6 -","2","1","","Yao, Han; Yan, Ming; Li, Xingshu; Hu, Jinhui","Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","783","785","10.1515/ncrs-2022-0087","","x-ray","1.54184","CuKα","","0.0589","0.0525","","","0.1201","0.1285","","","","","","1.033","","","","has coordinates","283817","2023-05-17","08:32:10",""
"8107367","9.8945","0.0006","8.1838","0.0005","12.2042","0.0007","90","","107.539","0.006","90","","942.29","0.1","149.99","0.1","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H17 N O -","- C27 H17 N O -","- C54 H34 N2 O2 -","2","1","","Li, Yunlu; Wang, Xinzhong","Crystal structure of 10-(9H-carbazol-9-yl)-5H-dibenzo[a,d][7]annelen-5-one, C27H17NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","111","112","10.1515/ncrs-2022-0495","","","0.71073","MoKα","","0.0329","0.0306","","","0.068","0.0698","","","","","","1.052","","","","has coordinates","284472","2023-06-15","07:49:09",""
"8107411","7.5122","0.0015","7.8955","0.0016","12.875","0.003","90","","92.919","0.003","90","","762.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N3 O2 -","- C15 H23 N3 O2 -","- C30 H46 N6 O4 -","2","1","","Zhang, Shi-Lin","Crystal structure of (E)-5-(diethylamino)-2-((morpholinoimino)methyl)phenol, C15H23N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","259","260","10.1515/ncrs-2022-0600","","","0.71073","MoKα","","0.0745","0.0545","","","0.1629","0.1802","","","","","","1.019","","","","has coordinates","284519","2023-06-21","09:12:43",""
"8107414","10.2166","0.0002","11.5327","0.0002","11.6484","0.0002","90","","109.637","0.002","90","","1292.65","0.04","149.9","0.5","149.9","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C62 H56 N4 O8 -","2","1","","Zhang, Kui; Shi, Da-Bin","Crystal structure of dimethyl 4,4′-((4R, 5R)-4,5-diphenylimidazolidine-1,3-diyl)dibenzoate, C31H28N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","269","271","10.1515/ncrs-2023-0001","","x-ray","1.54184","CuKα","","0.051","0.0502","","","0.13","0.1312","","","","","","1.063","","","","has coordinates","284522","2023-06-21","09:23:30",""
"8107417","10.715","0.0006","15.5902","0.0008","14.3463","0.0007","90","","91.032","0.002","90","","2396.1","0.2","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H56 Cd2 N8 O8 -","- C48 H56 Cd2 N8 O8 -","- C96 H112 Cd4 N16 O16 -","2","1","","Sun, Hong-Shun","Crystal structure of catena-poly[[μ 2-1,3-bis[(1H-imidazol-1- yl)methyl]benzene-N:N′]-(μ 2–D–camphorato-O, O′: O″, O‴)cadmium(II)], C48H56Cd2N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","281","284","10.1515/ncrs-2022-0513","","","0.71073","MoKα","","0.056","0.0504","","","0.1296","0.1339","","","","","","1.034","","","","has coordinates,has disorder","284526","2023-06-23","08:14:40",""
"8107439","9.191","0.003","10.725","0.005","11.239","0.001","90","","109.869","0.013","90","","1041.9","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl N2 O5 -","- C23 H21 Cl N2 O5 -","- C46 H42 Cl2 N4 O10 -","2","1","","Xu, Xiaona; Zhu, Zhoujing; Liu, Bin","Crystal structure of methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H21ClN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","355","357","10.1515/ncrs-2022-0579","","","0.71073","MoKα","","0.0951","0.0609","","","0.1472","0.1695","","","","","","0.982","","","","has coordinates","285036","2023-07-06","08:35:51",""
"8107457","7.8981","0.0017","10.302","0.002","11.028","0.003","90","","90.02","0.002","90","","897.3","0.4","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,7S)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro -2H,6H-8a,4a-(epoxymethano)phenanthren-12-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Chen, Ren-Song; Zhang, Jing-Jie; Zhang, Yi; Xu, Chuan-Yan; Ye, Jiang-Hai","Synthesis and crystal structure of (4aR,7S)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro-2H,6H-8a,4a-(epoxymethano)phenanthren-12-one, C20H32O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","417","419","10.1515/ncrs-2022-0546","","","0.71073","MoKα","","0.1349","0.0603","","","0.1075","0.1342","","","","","","1.01","","","","has coordinates","285140","2023-07-11","07:11:31",""
"8107509","11.4073","0.0011","16.9013","0.0014","11.8261","0.0012","90","","108.297","0.004","90","","2164.8","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H39 Fe2 N O4 P2 S2 -","- C48 H39 Fe2 N O4 P2 S2 -","- C96 H78 Fe4 N2 O8 P4 S4 -","2","1","","Gao, Xin-Ping; Lü, Shuang; Li, Qian-Li","Crystal structure of tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe–Fe), C48H39Fe2NO4P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","607","609","10.1515/ncrs-2023-0115","","","0.71073","MoKα","","0.0437","0.0355","","","0.0714","0.074","","","","","","1.043","","","","has coordinates","286398","2023-09-19","06:46:01",""
"8107516","12.2875","0.0014","8.3031","0.001","13.1242","0.0015","90","","100.064","0.001","90","","1318.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-(1'-deoxy-3',5'-O-dibenzy-??-D-ribosyl)adenine'","3-(1'-deoxy-3',5'-O-dibenzy-??-D-ribosyl)adenine","","- C49 H52 Cl2 N10 O6 -","- C49 H52 Cl2 N10 O6 -","- C49 H52 Cl2 N10 O6 -","1","0.5","","Wang, Pingqiao; Zhu, Yunlong; Ding, Haixin; Huang, Haiyang","The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","635","637","10.1515/ncrs-2023-0126","","","0.71073","MoKα","","0.0918","0.0736","","","0.1461","0.1545","","","","","","1.012","","","","has coordinates,has disorder","286405","2023-09-19","07:35:50",""
"8107566","7.1868","0.0006","5.8408","0.0004","12.6534","0.0011","90","","105.134","0.002","90","","512.73","0.07","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H13 Cl2 N5 -","- C4 H13 Cl2 N5 -","- C8 H26 Cl4 N10 -","2","1","","Xia, Yu-Pei","Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","799","800","10.1515/ncrs-2023-0218","","x-ray","0.71073","MoKα","","0.0372","0.0354","","","0.0949","0.0961","","","","","","1.086","","","","has coordinates","286577","2023-09-28","07:41:30",""
"8107586","4.3011","0.0007","11.2236","0.0019","11.776","0.002","90","","94.281","0.005","90","","566.89","0.16","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C26 H20 Cl2 N2 O2 -","2","1","","Du, Mo; Xu, Xiaona; Tong, Hongjuan","Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","871","873","10.1515/ncrs-2023-0246","","","0.71073","MoKα","","0.0711","0.042","","","0.0702","0.0827","","","","","","1.058","","","","has coordinates","286677","2023-10-05","08:59:20",""
"8107695","7.4467","0.0004","17.3823","0.0009","9.6974","0.0005","90","","103.373","0.002","90","","1221.2","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl Cu N5 O12 -","- C20 H24 Cl Cu N5 O12 -","- C40 H48 Cl2 Cu2 N10 O24 -","2","1","","Yang, Yu; Liu, Huanru; Wang, Yuhang; Meng, Xianggao","The crystal structure of (bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″ )-(dihydrogen L-malate-κ2O,O ′)copper(II) perchlorate dihydrate, CuC20H24ClN5O12","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1177","1179","10.1515/ncrs-2023-0384","","","1.34139","GaKα","","0.074","0.0642","","","0.1681","0.1757","","","","","","1.107","","","","has coordinates,has disorder","287956","2023-12-04","08:02:48",""
"9000078","15.97","","7.07","","6.68","","90","","97.3","","90","","748.111","","","","","","","","","","","","Chinkolobwe deposits, Belgian Congo, Africa","5","P 1 21 1","P 2yb","4","","","Uranophane - alpha","- Ca H12 O17 Si2 U2 -","- Ca O12 Si2 U2 -","- Ca2 O24 Si4 U4 -","2","1","","Smith, D. K.; Gruner, J. W.; Lipscomb, W. N.","The crystal structure of uranophane [Ca(H3O)2](UO2)2(SiO4)2.3H2O","American Mineralogist","1957","42","","594","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000310","12.06","","5.08","","10.81","","90","","106","","90","","636.617","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","Latiumite","- C0.3 Al2.85 Ca3 K0.85 O14.67 S0.71 Si2.15 -","- C0.3 Al2.85 Ca3 K0.85 O14.67 S0.71 Si2.15 -","- C0.6 Al5.7 Ca6 K1.7 O29.34 S1.42 Si4.3 -","2","1","","Cannillo, E.; Dal Negro, A.; Rossi, G.","The crystal structure of latiumite, a new type of sheet silicate","American Mineralogist","1973","58","","466","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000385","8.613","","4.962","","7.6","","90","","114.45","","90","","295.679","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","1","","Kocman, V.; Gait, R. I.; Rucklidge, J. C.","The crystal structure of bikitaite, Li[AlSi2O6].H2O","American Mineralogist","1974","59","","71","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000487","7.9814","","7.0657","","4.9054","","90","","93.95","","90","","275.979","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Searlesite","- B H2 Na O7 Si2 -","- B H2 Na O7 Si2 -","- B2 H4 Na2 O14 Si4 -","2","1","","Ghose, S.; Wan, C.","Structural chemistry of borosilicates, part II: Searlesite, NaBSi2O5(OH): Absolute configuration, hydrogen locations, and refinement of the structure Note: unable to reproduce any of the reported bond lengths","American Mineralogist","1976","61","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000533","5.446","","19.25","","5.428","","90","","110.3","","90","","533.703","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Bermanite","- H10 Mn3 O14 P2 -","- H10 Mn3 O14 P2 -","- H20 Mn6 O28 P4 -","2","1","","Kampf, A. R.; Moore, P. B.","The crystal structure of bermanite, a hydrated manganese phosphate","American Mineralogist","1976","61","","1241","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000740","8.012","","15.956","","6.801","","90","","96.6","","90","","863.674","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Krautite","- As H2 Mn O5 -","- As H2 Mn O5 -","- As8 H16 Mn8 O40 -","8","4","","Catti, M.; Franchini-Angela M","Krautite, Mn(H2O)(AsO3OH): crystal structure, hydrogen bonding and relations with haidingerite and pharmacolite","American Mineralogist","1979","64","","1248","1254","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000820","15.858","","6.985","","6.641","","90","","97.55","","90","","729.234","","","","","","","","","","","","Shinkolobwe, Katanga","5","P 1 21 1","P 2yb","4","","","Uranophane - alpha","- Ca H8 O16 Si2 U2 -","- Ca H8 O16 Si2 U2 -","- Ca2 H16 O32 Si4 U4 -","2","1","","Stohl, F. V.; Smith, D. K.","The crystal chemistry of the uranyl silicate minerals Note: signs of y and z are changed for many of the atoms","American Mineralogist","1981","66","","610","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9000821","7.073","","7.064","","6.638","","90","","105.75","","90","","319.207","","","","","","","","","","","","New Method mine, Amboy, California, USA","5","P 1 21 1","P 2yb","4","","","Boltwoodite","- H2 K O7 Si U -","- H2 K O7 Si U -","- H4 K2 O14 Si2 U2 -","2","1","","Stohl, F. V.; Smith, D. K.","The crystal chemistry of the uranyl silicate minerals","American Mineralogist","1981","66","","610","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9000925","7.05","","8.681","","6.539","","90","","113.9","","90","","365.879","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","2","","Hollabaugh, C. L.; Foit, F. F.","The crystal structure of an Al-rich titanite from Grisons, Switzerland","American Mineralogist","1984","69","","725","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001040","7.401","","17.439","","7.293","","90","","105.44","","90","","907.308","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Goosecreekite","- Al2 Ca H5 O16 Si6 -","- Al2 Ca H5 O16 Si6 -","- Al4 Ca2 H10 O32 Si12 -","2","1","","Rouse, R. C.; Peacor, D. R.","Crystal structure of the zeolite mineral goosecreekite, CaAl2Si6O16.5H2O","American Mineralogist","1986","71","","1494","1501","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001285","8.02","","7.995","","15.506","","90","","89.47","","90","","994.201","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Melilite","- Ca2.087 Ge2 O7 Zn -","- Ca2.08667 Ge2 O7 Zn -","- Ca12.52 Ge12 O42 Zn6 -","6","3","","Armbruster, T.; Rothlisberger, F.; Seifert, F.","Layer topology, stacking variation and site distortion in melilite-related compounds in the system CaO-ZnO-GeO2-SiO2 low-temperature polymorph Ca2ZnGe2O7","American Mineralogist","1990","75","","847","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:12",""
"9004060","12.26","","3.58","","8.11","","90","","92.5","","90","","355.616","","","","","","","","","","","","Paradox Valley, Montrose County, Coldrado,USA","5","P 1 21 1","P 2yb","4","","","Barnesite","- Ca0.25 H0.54 Na0.5 O9 V3 -","- Ca0.25 H2 Na0.5 O9 V3 -","- Ca0.5 H4 Na O18 V6 -","2","1","","Bachmann, H. G.; Barnes, W. H.","The crystal structure of a sodium-calcium variety of metahewettite Sample: hydrated","The Canadian Mineralogist","1962","7","","219","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004112","4.661","","5.602","","3.411","","90","","90.2","","90","","89.064","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","Alloclasite","- As Co S -","- As Co S -","- As2 Co2 S2 -","2","1","","Scott, J. D.; Nowacki, W.","The crystal structure of alloclasite, CoAsS, and the alloclasite-cobaltite transformation","The Canadian Mineralogist","1976","14","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004269","19.857","","9.708","","17.522","","90","","114.68","","90","","3069.2","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Ruitenbergite","- B26 Ca9 Cl4 H50 O71 -","- B26 Ca9 Cl4 H50 O71 -","- B52 Ca18 Cl8 H100 O142 -","2","1","","Grice, J. D.; Burns, P. C.; Hawthorne, F. C.","Determination of the megastructures of the borate polymorphs pringleite and ruitenbergite","The Canadian Mineralogist","1994","32","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004296","20.872","","6.367","","10.601","","90","","120.5","","90","","1213.85","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","4","P 1 21 1","P 2yb","4","","","Petersenite-(Ce)","- C5 Ce2 Na4 O15 -","- C5 Ce2 Na4 O15 -","- C20 Ce8 Na16 O60 -","4","2","","Grice, J. D.; Velthuizen, J. V.; Gault, R. A.","Petersenite-(Ce), a new mineral from Mont Saint-Hilaire, and its structural relationship to other REE carbonates","The Canadian Mineralogist","1994","32","","405","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004345","10.706","","7.458","","10.824","","90","","105.85","","90","","831.387","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","Fichtelite","- C19 H33 -","- C19 H34 -","- C38 H68 -","2","1","","Mace, H. A.; Peterson, R. C.","The crystal structure of fichtelite, a naturally occuring hydrocarbon","The Canadian Mineralogist","1995","33","","7","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:15:15",""
"9004426","11.62","","9.407","","8.726","","90","","98.58","","90","","943.158","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","Penobsquisite","- B9 Ca2 Cl Fe H15 O23 -","- B9 Ca2 Cl Fe H15 O23 -","- B18 Ca4 Cl2 Fe2 H30 O46 -","2","1","","Grice, J. D.; Gault, R. A.; Van Velthuizen, J.","Penobsquisite: A new borate mineral with a complex framework structure","The Canadian Mineralogist","1996","34","","657","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004914","6.943","","17.634","","6.952","","90","","90.023","","90","","851.153","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Meta-uranocircite I","- Ba H14 O19 P2 U2 -","- Ba H14 O19 P2 U2 -","- Ba2 H28 O38 P4 U4 -","2","1","","Locock A J; Burns P C; Flynn T M","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005297","8.033","","6.253","","9.221","","90","","102.98","","90","","451.339","","","","","","","","","","","","Tuscany, Italy","5","P 1 21 1","P 2yb","4","","","","- Cl3 Fe H6 O5 Pb2 -","- Cl3 Fe H6 O5 Pb2 -","- Cl6 Fe2 H12 O10 Pb4 -","2","1","","Pasero, M.; Perchiazzi, N.; Bigi, S.; Franzini, M.; Merlino, S.","Pb2FeCl3(OH)4.H2O, a newly discovered natural phase from Tuscany, Italy: physio-chemical data, crystal structure, and OD character","European Journal of Mineralogy","1997","9","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9007694","5.709","","5.707","","5.708","","90","","90.01","","90","","185.974","","","","","","","","","","","","Villamanin, Leon, Spain","5","P 1 21 1","P 2yb","4","","","Villamaninite","- Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 -","- Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 -","- Co0.24 Cu2.72 Fe0.44 Ni0.6 S8 -","4","2","","Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure Sample: 1 Note: anisoU's from ICSD","Acta Crystallographica, Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007695","5.704","","5.703","","5.704","","90","","89.99","","90","","185.551","","","","","","","","","","","","Villamanin, Leon, Spain","5","P 1 21 1","P 2yb","4","","","Villamaninite","- Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 -","- Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 -","- Co0.52 Cu2.12 Fe0.28 Ni1.08 S8 -","4","2","","Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure Sample: 2 Note: anisoU's from ICSD","Acta Crystallographica, Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007856","6.228","","14.6","","8.982","","90","","102.02","","90","","798.816","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 K2 O14 P -","- C6 H10 K2 O14 P -","- C12 H20 K4 O28 P2 -","2","1","","Krishnan, R.; Seshadri, T. P.","Structure of dipotassium galactose 1-phosphate pentahydrate","Acta Crystallographica, Section C","1990","46","","2299","2302","10.1107/S0108270190000737","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007965","7.218","","9.254","","8.864","","90","","99.377","","90","","584.163","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs La O12 P4 -","- Cs La O12 P4 -","- Cs2 La2 O24 P8 -","2","1","","Sun, T.; Shen, G.; Wang, X.; Wang, R.; Wei, J.; Shen, D.","CsLa(PO3)4","Acta Crystallographica, Section E","2004","60","","i28","i30","10.1107/S160053680400131X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008000","7.481","","8.2693","","9.859","","90","","108.76","","90","","577.502","","","","120","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","","","","- B8 Ca H4 O15 -","- B8 Ca H4 O15 -","- B16 Ca2 H8 O30 -","2","1","","Wiggin, S. B.; Weller, M. T.","Redetermination of CaB8O11(OH)4 at low temperature Note: T = 120 K","Acta Crystallographica, Section E","2005","61","","i243","i245","10.1107/S1600536805029296","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008047","5.44","","4.84","","8.16","","90","","107.58","","90","","204.815","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 Li2 O5 S -","- Li2 O5 S -","- Li4 O10 S2 -","2","1","","Ziegler, G. E.","The crystal structure of lithium sulphate mono-hydrate, Li2SO4*H2O","Zeitschrift fur Kristallographie","1934","89","","456","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008089","4.88","","7.06","","4.71","","90","","96.3","","90","","161.293","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Bi O4 P -","- Bi O4 P -","- Bi2 O8 P2 -","2","1","","Mooney-Slater R C L","Polymorphic forms of bismuth phosphate Note: this is a high-temperature form, with the monazite structure","Zeitschrift fur Kristallographie","1962","117","","371","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008129","7.9","","25.74","","8.37","","90","","90.35","","90","","1701.97","","","","","","","","","","","","Lengenbach, Binnatal, Switzerland","3","P 1 21 1","P 2yb","4","","","Dufrenoysite","- As2 Pb2 S5 -","- As2 Pb2 S5 -","- As16 Pb16 S40 -","8","4","","Marumo, F.; Nowacki, W.","The crystal structure of dufrenoysite, Pb16As16S40","Zeitschrift fur Kristallographie","1967","124","","409","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008179","7.9","","25.74","","8.37","","90","","90.35","","90","","1701.97","","","","","","","","","","","","Lengenbach, Binnatal, Switzerland","3","P 1 21 1","P 2yb","4","","","Dufrenoysite","- As2 Pb2 S5 -","- As2 Pb2 S5 -","- As16 Pb16 S40 -","8","4","","Ribar, B.; Nicca, C.; Nowacki, W.","Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20","Zeitschrift fur Kristallographie","1969","130","","15","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008196","8.371","","70.49","","7.914","","90","","90.133","","90","","4669.82","","","","","","","","","","","","Lengenbach, Binnatal, Switzerland","3","P 1 21 1","P 2yb","4","","","Rathite","- As25.25 Pb18.5 S56 -","- As25.25 Pb18.5 S56 -","- As50.5 Pb37 S112 -","2","1","","Engel, P.; Nowacki, W.","Die kristallstruktur von rathit-II [As25 S56|PbVII6.5 PBIX12]","Zeitschrift fur Kristallographie","1970","131","","356","375","10.1524/zkri.1970.131.1-6.356","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008276","5.26","","10.437","","5.477","","90","","92.55","","90","","300.382","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Ge O5 Pb3 -","- Ge O5 Pb3 -","- Ge2 O10 Pb6 -","2","1","","Otto, H. H.","Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4]","Zeitschrift fur Kristallographie","1979","149","","227","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008310","5.605","","6.087","","6.929","","90","","94.48","","90","","235.679","","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","","","Rouaite","- Cu2 H3 N O6 -","- Cu2 H3 N O6 -","- Cu4 H6 N2 O12 -","2","1","","Effenberger, H.","Verfeinerung der kristallstruktur des monoklinen dikupfer(II)-trihydroxi-nitrates Cu2(NO3)(OH)3","Zeitschrift fur Kristallographie","1983","165","","127","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9009530","10.8","","10.26","","7.26","","90","","108.95","","90","","760.866","","","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","Wohlerite","- Ca4 F H3 Na2 Nb O17 Si4 Zr -","- Ca4 F H3 Na2 Nb O17 Si4 Zr -","- Ca8 F2 H6 Na4 Nb2 O34 Si8 Zr2 -","2","1","","Shibaeva, R. I.; Belov, N. V.","Crystal structure of wohlerite, Ca2Na(Zr,Nb)[Si2O7](OH)2","Doklady Akademii Nauk SSSR","1963","146","","897","900","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009600","10.823","","10.244","","7.29","","90","","109","","90","","764.214","","","","","","","","","","","","Brevig, Norway","7","P 1 21 1","P 2yb","4","","","Wohlerite","- Ca4 F Na2 Nb O17 Si4 Zr -","- Ca4 F Na2 Nb O17 Si4 Zr -","- Ca8 F2 Na4 Nb2 O34 Si8 Zr2 -","2","1","","Mellini, M.; Merlino, S.","Refinement of the crystal structure of wohlerite","Tschermaks Mineralogische und Petrographische Mitteilungen","1979","26","","109","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009865","8.15","","5.22","","6.58","","90","","106.13","","90","","268.913","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Barytocalcite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C4 Ba2 Ca2 O12 -","2","1","","Alm, K. F.","The crystal structure of barytocalcite BaCa(CO3)2","Arkiv for Mineralogi och Geologi","1960","2","","399","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9011144","7.023","","11.986","","9.473","","90","","90.9","","90","","797.317","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Ca4 O9 P2 -","- Ca4 O9 P2 -","- Ca16 O36 P8 -","4","2","","Dickens, B.; Brown, W. E.; Kruger, G. J.; Stewart, J. M.","Ca4(PO4)2O, tetracalcium diphosphate monooxide. Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2 Note: z(O11) corrected to match reported bond lengths","Acta Crystallographica, Section B","1973","29","","2046","2056","10.1107/S0567740873006102","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011267","8.441","","6.14","","9.438","","90","","97.96","","90","","484.437","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","Ravatite","- C14 H10 -","- C14 H10 -","- C28 H20 -","2","1","","Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B.","Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Locality: synthetic","Acta Crystallographica, Section B","1990","46","6","830","832","10.1107/S0108768190007510","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011364","15.909","","7.002","","6.665","","90","","97.27","","90","","736.478","","","","","","","","","","","","Bois Noirs du Puy-de-Dome, France","5","P 1 21 1","P 2yb","4","","","Uranophane - alpha","- Ca H12 O17 Si2 U2 -","- Ca H12 O17 Si2 U2 -","- Ca2 H24 O34 Si4 U4 -","2","1","","Ginderow, D.","Structure de l'uranophane alpha, Ca(UO2)2(SiO3OH)2*5H2O","Acta Crystallographica, Section C","1988","44","","421","424","10.1107/S0108270187011491","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011433","11.362","","5.266","","12.655","","90","","108.16","","90","","719.463","","","","","","","","","","","","Tsumeb mine, Namibia","5","P 1 21 1","P 2yb","4","","","Queitite","- O15 Pb4 S Si3 Zn2 -","- O15 Pb4 S Si3 Zn2 -","- O30 Pb8 S2 Si6 Zn4 -","2","1","","Hess, H.; Keller, P.","Die kristallstruktur von queitit, Pb4Zn2[SO4|SiO4|Si2O7]","Zeitschrift fur Kristallographie","1980","151","","287","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011672","3.587","","3.992","","5.307","","90","","98.4","","90","","75.177","","","","","","","","6600000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Cl -","- Ag2 Cl2 -","- Ag2 Cl2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 6.6 Gpa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011673","3.561","","3.994","","5.271","","90","","99.12","","90","","74.02","","","","","","","","7600000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Cl -","- Ag2 Cl2 -","- Ag2 Cl2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 7.6 Gpa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011674","3.548","","3.997","","5.259","","90","","99.75","","90","","73.503","","","","","","","","7900000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Cl -","- Ag2 Cl2 -","- Ag2 Cl2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 7.9 Gpa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011675","3.53","","4.011","","5.243","","90","","100.69","","90","","72.946","","","","","","","","8600000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Cl -","- Ag2 Cl2 -","- Ag2 Cl2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 8.6 Gpa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011676","3.497","","4.009","","5.214","","90","","102.11","","90","","71.471","","","","","","","","10000000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Cl -","- Ag2 Cl2 -","- Ag2 Cl2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 10.0 Gpa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011677","3.481","","4.016","","5.191","","90","","102.87","","90","","70.746","","","","","","","","10800000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Cl -","- Ag2 Cl2 -","- Ag2 Cl2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 10.8 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011687","3.821","","3.98","","5.513","","90","","95.9","","90","","83.395","","","","","","","","7900000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Br -","- Ag2 Br2 -","- Ag2 Br2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 7.9 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011688","3.818","","3.981","","5.51","","90","","96.07","","90","","83.279","","","","","","","","8100000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Br -","- Ag2 Br2 -","- Ag2 Br2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 8.1 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011689","3.791","","3.984","","5.496","","90","","97.05","","90","","82.38","","","","","","","","9000000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Br -","- Ag2 Br2 -","- Ag2 Br2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 9.0 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011690","3.787","","3.985","","5.487","","90","","97.94","","90","","82.012","","","","","","","","9300000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Br -","- Ag2 Br2 -","- Ag2 Br2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 9.3 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011691","3.749","","4.007","","5.464","","90","","98.56","","90","","81.167","","","","","","","","10200000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Br -","- Ag2 Br2 -","- Ag2 Br2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 10.2 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011692","3.691","","4.018","","5.45","","90","","100.87","","90","","79.376","","","","","","","","12700000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag Br -","- Ag2 Br2 -","- Ag2 Br2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 12.7 GPa, Phase II","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011700","4.056","","4.057","","5.615","","90","","98.43","","90","","91.398","","","","","","","","11300000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag I -","- Ag2 I2 -","- Ag2 I2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 11.3 GPa, Phase V","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011701","4.052","","4.052","","5.604","","90","","98.7","","90","","90.952","","","","","","","","11700000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag I -","- Ag2 I2 -","- Ag2 I2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 11.7 GPa, Phase V","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011702","4.007","","4.064","","5.546","","90","","100.39","","90","","88.833","","","","","","","","14300000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag I -","- Ag2 I2 -","- Ag2 I2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 14.3 GPa, Phase V","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011703","4.001","","4.067","","5.545","","90","","100.55","","90","","88.703","","","","","","","","14500000","","","","","2","P 1 21 1","P 2yb","4","","","","- Ag I -","- Ag2 I2 -","- Ag2 I2 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 14.5 GPa, Phase V","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011778","24.73","","5.056","","5.76","","90","","103.5","","90","","700.302","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","Koragoite","- Fe0.1 Mn3.16 Nb3.6 O20 Ta0.652 Ti0.09 W1.807 -","- Fe0.2 Mn6.32 Nb7.2 O40 Ta1.304 Ti0.18 W3.614 -","- Fe0.2 Mn6.32 Nb7.2 O40 Ta1.304 Ti0.18 W3.614 -","","","","Yamnova, N. A.; Pushcharovskii D Yu; Voloshin, A. V.","Crystal structure of a new natural Mn, W-tantaloniobate","Kristallografiya","1995","40","","469","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9011864","5.33","","36.59999","","7.67","","90","","90","","90","","1496.25","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Cymrite","- Al2 Ba H3.5 O9 Si2 -","- Al2 Ba H2 O9 Si2 -","- Al16 Ba8 H16 O72 Si16 -","8","4","","Drits, V. A.; Kashaev, A. A.; Sokolova, G. V.","Crystal structure of cymrite Note: Y(O11) corrected","Soviet Physics Crystallography","1975","20","","171","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011867","9.909","","8.13","","7.623","","90","","108.4","","90","","582.714","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Strontioborite","- B8 H4 O15 Sr -","- B8 H4 O15 Sr -","- B16 H8 O30 Sr2 -","2","1","","Brovkin, A. A.; Zayakina, N. V.; Brovkina, V. S.","Crystal structure of strontioborite Sr[B8O11(OH)4]","Soviet Physics Crystallography","1975","20","","563","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011907","15.197","","10.233","","8.435","","90","","90.31","","90","","1311.71","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Lithosite","- Al2 K3 O13 Si4 -","- Al8 K12 O52 Si16 -","- Al8 K12 O52 Si16 -","","","","Pudovkina, Z. V.; Solov'eva, L. P.; Pyatenko, Y. A.","Crystal structure of lithosite K3[HAl2Si4O13]","Soviet Physics Doklady","1986","31","","941","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:07",""
"9011908","11.02","","4.746","","8.646","","90","","98.94","","90","","446.7","","","","","","","","","","","","Ural Mountains, Russia","3","P 1 21 1","P 2yb","4","","","Clinobehoite","- Be H2 O2 -","- Be12 H24 O24 -","- Be12 H24 O24 -","","","","Nadezhina, T. N.; Pushcharovsky, D. Y.; Rastsvetaeva, R. K.; Voloshin, A. V.; Burshtein, I. F.","Crystal structure of a new natural form of Be(OH)2","Soviet Physics Doklady","1989","34","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:17",""
"9012417","9.989","","10.616","","9.82","","90","","92.57","","90","","1040.3","","","","","","","","","","","","","5","P 1 21 1","","","","","Gismondine","- Al2 Ca H8 O12 Si2 -","- Al2 Ca H8 O12 Si2 -","- Al8 Ca4 H32 O48 Si8 -","4","2","","Vezzalini, G.; Quartieri, S.; Alberti, A.","Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 1 hr","Zeolites","1993","13","","34","42","10.1016/0144-2449(93)90020-4","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012838","13.026","","10.015","","11.115","","90","","104.34","","90","","1404.83","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Felsobanyaite","- Al4 H18 O18 S -","- Al4 O18 S -","- Al16 O72 S4 -","4","2","","Farkas, L.; Pertlik, F.","Crystal structure determinations of felsobanyaite and basaluminite, Al4(SO4)(OH)10*4H2O Locality: Felsobanya, Hungary","Acta Mineralogica Petrographica","1997","38","","5","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9013886","7.1222","","19.8378","","9.8071","","90","","111.287","","90","","1291.1","","","","","","","","","","","","Larvik plutonic complex, Oslo Region, Norway","6","P 1 21 1","P 2yb","4","","","Alflarsenite","- Be6 Ca4.184 H12 Na1.816 O32.21 Si8 -","- Be6 Ca4.184 H10.42 Na1.816 O32.21 Si8 -","- Be12 Ca8.368 H20.84 Na3.632 O64.42 Si16 -","2","1","","Raade, G.; Grice, J. D.; Cooper, M. A.","Alflarsenite, a new beryllium-silicate zeolite from a syenitic pegmatite in the Larvik plutonic complex, Oslo Region, Norway Locality: Larvik plutonic complex, Oslo Region, Norway","European Journal of Mineralogy","2009","21","","893","900","10.1127/0935-1221/2009/0021-1946","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014233","5.1131","","5.1898","","7.3303","","90","","90.03","","90","","194.517","","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","","","","- H6 Mg O6 Si -","- H12 Mg2 O12 Si2 -","- H12 Mg2 O12 Si2 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014516","5.148","","5.252","","7.404","","90","","89.88","","90","","200.184","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H6 Mg O6 Si -","- H12 Mg2 O12 Si2 -","- H12 Mg2 O12 Si2 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from Pnam","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014632","10.8459","","10.226","","7.2727","","90","","109.332","","90","","761.136","","","","","","","","","","","","Prairie Lake silicocarbonatite, Ontario, Canada","11","P 1 21 1","P 2yb","4","","","Marianoite","- Ca4 F Fe0.08 Hf0.01 Mg0.03 Na2 Nb0.97 O17 Si4 Ti0.09 Zr0.9 -","- Ca8 F2 Fe0.16 Hf0.02 Mg0.06 Na4 Nb1.94 O34 Si8 Ti0.18 Zr1.8 -","- Ca8 F2 Fe0.16 Hf0.02 Mg0.06 Na4 Nb1.94 O34 Si8 Ti0.18 Zr1.8 -","","","","Chakhmouradian, A. R.; Mitchell, R. H.; Burns, P. C.; Mikhailova, Y.; Reguir, E. P.","Marianoite, a new member of the cuspidine group from the Prairie Lake silicocarbonatite, Ontario Note: ordering of elements in M1 and M2 could not be determined","The Canadian Mineralogist","2008","46","","1023","1032","10.3749/canmin.46.4.1023","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014670","7.1222","","19.8378","","9.8071","","90","","111.287","","90","","1291.1","","","","","","","","","","","","Larvik plutonic complex, Oslo Region, Norway","6","P 1 21 1","P 2yb","4","","","Alflarsenite","- Be6 Ca4 H10 Na2 O32 Si8 -","- Be6 Ca4 H10 Na2 O32 Si8 -","- Be12 Ca8 H20 Na4 O64 Si16 -","2","1","","Grice, J. D.; Raade, G.; Cooper, M. A.","Alflarsenite: Structure and relationship to other Be-Si and zeolite framework structures Note: x-coordinate for O7 changed by authors","The Canadian Mineralogist","2010","48","","255","266","10.3749/canmin.48.2.255","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014856","10.836","","10.27","","7.296","","90","","109.13","","90","","767.103","","","","","","","","","","","","Monte Somma syenite, Italy","8","P 1 21 1","P 2yb","4","","","Wohlerite","- Ca4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43 -","- Ca8.5 F2 Fe0.36 Na3.14 Nb1.14 O34 Si8 Zr2.86 -","- Ca8.5 F2 Fe0.36 Na3.14 Nb1.14 O34 Si8 Zr2.86 -","","","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Distinct domains in ""guarinite"" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: ""Guarinite"" Domain II","The Canadian Mineralogist","2012","50","","531","548","10.3749/canmin.50.2.531","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014974","6.7127","","20.704","","6.6276","","90","","119.209","","90","","803.98","","","","","","","","","","","","Konigshall-Hindenburg potash-salt mine, Reyershausen, Germany","5","P 1 21 1","P 2yb","4","","","Veatchite","- B11 Ca0.301 H7 O22 Sr1.699 -","- B11 Ca0.301 H7 O22 Sr1.699 -","- B22 Ca0.602 H14 O44 Sr3.398 -","2","1","","Grice, J. D.; Pring, A.","Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p","American Mineralogist","2012","97","","489","495","10.2138/am.2012.3889","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015364","10.80498","","10.25458","","7.28606","","90","","109.117","","90","","762.779","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","10","P 1 21 1","P 2yb","4","","","Wohlerite","- Ca3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884 -","- Ca7.682 F5 Fe0.804 Mn0.232 Na3.466 Nb0.922 O31 Si8 Ti1.078 Zr1.768 -","- Ca7.682 F5 Fe0.804 Mn0.232 Na3.466 Nb0.922 O31 Si8 Ti1.078 Zr1.768 -","","","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015683","14.4979","","7.0159","","6.6312","","90","","107.585","","90","","642.978","","","","","","","","","","","","Bois Noirs, France","5","P 1 21 1","P 2yb","4","","","Metatorbernite","- Cu0.93 H6 O15 P2 U2 -","- Cu0.93 H6 O15 P2 U2 -","- Cu1.86 H12 O30 P4 U4 -","2","1","","Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.","Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 6.9 Angstrom phase while heating at 173 C","American Mineralogist","2010","95","","1132","1140","10.2138/am.2010.3439","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015949","8.22","","8.951","","4.828","","90","","90","","90","","355.231","","","","","","","","","","","","mine #45 near Kopeysk, Chelyabinsk area, southern Urals, Russia","4","P 1 21 1","P 2yb","4","","","Svyatoslavite","- Al Ca0.5 O4 Si -","- Al4 Ca2 O16 Si4 -","- Al4 Ca2 O16 Si4 -","","","","Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P.","The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description","The Canadian Mineralogist","2012","50","","585","592","10.3749/canmin.50.3.585","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016206","6.7","","20.8","","6.6","","90","","119.25","","90","","802.501","","","","","","","","","","","","Inderskii formation, Kazakh SSR","4","P 1 21 1","P 2yb","4","","","Veatchite","- B11 H7 O22 Sr2 -","- B11 H7 O22 Sr2 -","- B22 H14 O44 Sr4 -","2","1","","Rumanova, I. M.; Gandymov, O.","The crystal structure of the natural strontium borate, p-veatchite, Sr2[B5O8(OH)]2*B(OH)3*H2O Note: polytype veatchite-1M, formally known as veatchite-p","Soviet Physics Crystallography","1971","16","","75","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016703","8.228","","8.621","","4.827","","90","","90","","90","","342.396","","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","","","Svyatoslavite","- Al Ca0.484 O4 Si -","- Al4 Ca1.934 O16 Si4 -","- Al4 Ca1.934 O16 Si4 -","","","","Takeuchi, Y.; Haga, N.; Ito, J.","The crystal structure of monoclinic CaAl2Si2O8: a case of monoclinic structure closely simulating orthorhombic symmetry","Zeitschrift fur Kristallographie","1973","137","","380","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016723","4.958","","5.056","","7.14","","90","","89.87","","90","","178.983","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H6 Mg O6 Si -","- H12 Mg2 O12 Si2 -","- H12 Mg2 O12 Si2 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from Pnam","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016891","6.8673","","28.6536","","6.8592","","90","","119.975","","90","","1169.17","","","","120","","","","","","","","Silberberg mine, Bodenmais, Germany","2","P 1 21 1","P 2yb","4","","","Pyrrhotite","- Fe4.509 S5 -","- Fe36.068 S40 -","- Fe36.068 S40 -","","","","Liles, D. C.; de Villiers, J. P. R.","Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 120 K","American Mineralogist","2012","97","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016892","6.8984","","28.695","","6.8915","","90","","119.956","","90","","1181.93","","","","293","","","","","","","","Silberberg mine, Bodenmais, Germany","2","P 1 21 1","P 2yb","4","","","Pyrrhotite","- Fe4.51 S5 -","- Fe36.084 S40 -","- Fe36.084 S40 -","","","","Liles, D. C.; de Villiers, J. P. R.","Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K","American Mineralogist","2012","97","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016893","6.893","","28.643","","6.899","","90","","120.048","","90","","1179.05","","","","293","","","","","","","","Copper Cliff mine, Sudbury, Canada","2","P 1 21 1","P 2yb","4","","","Pyrrhotite","- Fe4.503 S5 -","- Fe36.026 S40 -","- Fe36.026 S40 -","","","","Liles, D. C.; de Villiers, J. P. R.","Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K","American Mineralogist","2012","97","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9017320","8.441","","6.14","","9.438","","90","","97.96","","90","","484.437","","","","","","","","","","","","Synthetic","1","P 1 21 1","P 2yb","4","","","Ravatite","- C7 -","- C28 -","- C28 -","","","","Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B.","Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K","Acta Crystallographica, Section B","1990","46","","830","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:54",""
"9017686","4.6524","","11.0757","","9.3876","","90","","98.353","","90","","478.598","","","","","","","","","","","","Tolbachik volcano, Kamchatka Peninsula, Russia","5","P 1 21 1","P 2yb","4","","","Karpovite","- H2 O10 S2 Tl2 V -","- H2 O10 S2 Tl2 V -","- H4 O20 S4 Tl4 V2 -","2","1","","Siidra, O. I.; Vergasova, L. P.; Kretser, Y. L.; Polekhovsky, Y. S.; Filatov, S. K.; Krivovichev, S. V.","Unique thallium mineralization in the fumaroles of the Tolbachik volcano, Kamchatka Peninsula, Russia. II. Karpovite Tl2VO(SO4)2(H2O)","Mineralogical Magazine","2014","78","","1699","1709","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""